A0A3Q0KQE9_SCHMA Loading...

Pentatricopeptide repeat-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KQE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 932 aa.

						>A0A3Q0KQE9_SCHMA|A0A3Q0KQE9
MTWMFTMLAVRRLFSKNVILRHLSATKSVSCSSARCISTVESAKKRTYEPNLALRFSDNTGLTDIDKFLRKQRIKGALYSCEENEQASKGFWARILKAGDMDLVERYLNMRVKLGLRVDPEKVIKDMNDAGLTPNAWTYASFIHQSCAVGDMNQTNFYLRMLRNAGFKPTRYIFSQILHGYVKAGLPEEVSSTQEILSQMGLWPSKFAYEGLLSAYADIGDKDSLLRTLDEAYAVLPSIEHNKTTESRQISPVLLLDLYTRLVCSLGYTNATCSEISTKLLTMKDHFPLEFAIDTVKILLAKGRPAAALEIFKIIHNYPEHHEYLSKLALYAAAGGLEHEALEPFWHVASMDGDELYMLRNKSKLYFRRTGKLSNNLGDRLQACIDENNVQGALDLLKDLNKTNIALAYTLFVPRLMSSGVSLQDLLKQTEDHEIIKALLFGYVFRELISIQSTDDLKSRLTNCSELVNEYRAKELLPYNDVVRLNSSVLVKLVTNIISVSDIEEIAKLNKSTVMHDVFGIFGRTLSKRALRMLFMQVFEALTLSHLRSFHGIPKNAVIQLVADVCAHQDVTFAHGGWMLSKLRDADVPTHIMAKLSSSRSVALSSFSNINVLLFDDRASNADGRNKDEDPVTNQVKLLPEESIPTTAESLVKASKNDPEELEKELKSIEKSWRLQKKFILLSYLVNLGSEDVVERVLRFLPDEHKRQLEPMKSIAHIIKSSLANANCDKPSSESVKQSIENLQNLSSQDLYVTMRGPHLDTLFRCWPTEQIPDLVIITKKLSKLGLNSVSLQLAGVLINRGLSDLVSTLLENNKTVPFTFLVGNPRNSLTKSEFLASVEYLKSVDSQHVPGFVDYCLRNAALSTNDDNFYQLIRTVVSPPFNMDLLQVCIQPTLQVLYHRLEVSKNLPEDILQATQPVVQKFSALKAKASN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	31	Very low	205 Å²	205	125.1 Å²	125.1	100%	1.01	62%	0.622	S	S	*	*				0	-41.8	0	-83.5	-167.9	-112.3	0	0	113.6	W3 M4	M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 3.38Å; M1-M4 PolarHBondContact O-N 3.28Å; M1-M4 VanDerWaalsContact O-N 3.14Å
2	T	30.9	Very low	31.3	Very low	120 Å²	120	125.2 Å²	125.2	74%	0.736	61%	0.61	S	S	*	*	H	α-helix	trans	-57.3	-33.3	175.4	26.9	0	0	0	0	114.8	M4 F5 T6	T2-M4 VanDerWaalsContact C-N 3.32Å; T2-M4 PolarHBondContact O-N 3.15Å; T2-F5 PolarHBondContact O-N 2.79Å; T2-T6 PolarHBondContact O-N 2.63Å; T2-T6 PolarHBondContact O-OG1 3.03Å
3	W	26.6	Very low	31.2	Very low	210 Å²	210	123.5 Å²	123.5	80%	0.795	61%	0.605	S	S	*	*	H	α-helix	trans	-67.1	-25.7	175.3	-108.8	64.7	0	0	0	114.8	M1 T6 M7	M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 3.38Å; W3-T6 WeakPolarHBondContact CA-OG1 3.46Å; W3-T6 PolarHBondContact O-OG1 2.86Å; W3-T6 VanDerWaalsContact O-OG1 3.07Å; W3-M7 PolarHBondContact O-N 3.29Å
4	M	27.5	Very low	31	Very low	146 Å²	146	125.5 Å²	125.5	72%	0.719	61%	0.609	S	S	*	*	H	α-helix	trans	-79.3	-33.5	179.3	-148.8	173.9	-177.4	0	0	110.9	M1 T2 L8	M1-M4 PolarHBondContact O-N 3.28Å; M1-M4 VanDerWaalsContact O-N 3.14Å; T2-M4 VanDerWaalsContact C-N 3.32Å; T2-M4 PolarHBondContact O-N 3.15Å; M4-L8 PolarHBondContact O-N 3.4Å
5	F	32.7	Very low	31.2	Very low	157 Å²	157	119.9 Å²	119.9	69%	0.689	59%	0.588	S	S	*	*	H	α-helix	trans	-73.1	-36.1	175.4	-85.7	-82.6	0	0	0	113.1	T2 L8 A9	T2-F5 PolarHBondContact O-N 2.79Å; F5-L8 PolarHBondContact O-N 2.96Å; F5-A9 WeakPolarHBondContact O-CB 3.4Å; F5-A9 PolarHBondContact O-N 3.25Å
6	T	31.6	Very low	31.3	Very low	78 Å²	78	119.1 Å²	119.1	48%	0.479	58%	0.58	S	S	.	*	H	α-helix	trans	-68.5	-39.5	175.3	49.3	0	0	0	0	112	T2 W3 L8 A9 V10	T2-T6 PolarHBondContact O-N 2.63Å; T2-T6 PolarHBondContact O-OG1 3.03Å; W3-T6 WeakPolarHBondContact CA-OG1 3.46Å; W3-T6 PolarHBondContact O-OG1 2.86Å; W3-T6 VanDerWaalsContact O-OG1 3.07Å; T6-L8 VanDerWaalsContact C-N 3.35Å; T6-L8 PolarHBondContact O-N 3.24Å; T6-A9 PolarHBondContact O-N 3.03Å; T6-V10 VanDerWaalsContact O-CG2 3.27Å; T6-V10 WeakPolarHBondContact O-CG2 3.32Å; T6-V10 PolarHBondContact O-N 3.02Å
7	M	28.3	Very low	31.5	Very low	105 Å²	105	117.4 Å²	117.4	52%	0.517	57%	0.574	S	S	.	*	H	α-helix	trans	-62	-37.5	172.9	-95.9	-87	-150.2	0	0	113.3	W3 R11	W3-M7 PolarHBondContact O-N 3.29Å; M7-R11 VanDerWaalsContact O-CB 3.29Å; M7-R11 WeakPolarHBondContact O-CB 3.34Å; M7-R11 PolarHBondContact O-N 2.98Å
8	L	32.3	Very low	31.9	Very low	90 Å²	90	113.3 Å²	113.3	47%	0.471	56%	0.557	S	S	.	*	H	α-helix	trans	-70.5	-38.8	175.7	-93.3	152.9	0	0	0	112.4	M4 F5 T6 R12	M4-L8 PolarHBondContact O-N 3.4Å; F5-L8 PolarHBondContact O-N 2.96Å; T6-L8 VanDerWaalsContact C-N 3.35Å; T6-L8 PolarHBondContact O-N 3.24Å; L8-R12 WeakPolarHBondContact O-CG 3.35Å; L8-R12 PolarHBondContact O-N 3.32Å; L8-R12 VanDerWaalsContact O-N 3.08Å
9	A	32.5	Very low	32.2	Very low	49 Å²	49	109.2 Å²	109.2	41%	0.405	54%	0.537	S	S	.	.	H	α-helix	trans	-67.9	-43.9	176.6	0	0	0	0	0	112.3	F5 T6 R12 L13	F5-A9 WeakPolarHBondContact O-CB 3.4Å; F5-A9 PolarHBondContact O-N 3.25Å; T6-A9 PolarHBondContact O-N 3.03Å; A9-R12 PolarHBondContact O-N 3.33Å; A9-L13 PolarHBondContact O-N 2.54Å
10	V	31.9	Very low	32.3	Very low	89 Å²	89	107.8 Å²	107.8	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-39	176.1	175.9	0	0	0	0	110.9	T6 R12 L13 F14	T6-V10 VanDerWaalsContact O-CG2 3.27Å; T6-V10 WeakPolarHBondContact O-CG2 3.32Å; T6-V10 PolarHBondContact O-N 3.02Å; V10-R12 VanDerWaalsContact C-N 3.34Å; V10-R12 PolarHBondContact O-N 3.01Å; V10-L13 PolarHBondContact O-N 2.83Å; V10-F14 PolarHBondContact O-N 3.42Å; V10-F14 VanDerWaalsContact O-N 3.08Å
11	R	30.2	Very low	32.5	Very low	127 Å²	127	112.1 Å²	112.1	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-61.7	-36.7	173.5	-95.2	178.3	160.8	168	-3.8	113.4	M7	M7-R11 VanDerWaalsContact O-CB 3.29Å; M7-R11 WeakPolarHBondContact O-CB 3.34Å; M7-R11 PolarHBondContact O-N 2.98Å
12	R	34.4	Very low	32.5	Very low	126 Å²	126	105.9 Å²	105.9	48%	0.475	51%	0.51	S	S	.	.	H	α-helix	trans	-74.7	-41.6	178.4	-78.4	-178.6	173.6	-157.5	-0.4	111.6	L8 A9 V10 S15 K16 E323	L8-R12 WeakPolarHBondContact O-CG 3.35Å; L8-R12 PolarHBondContact O-N 3.32Å; L8-R12 VanDerWaalsContact O-N 3.08Å; A9-R12 PolarHBondContact O-N 3.33Å; V10-R12 VanDerWaalsContact C-N 3.34Å; V10-R12 PolarHBondContact O-N 3.01Å; R12-S15 PolarHBondContact O-N 2.68Å; R12-S15 PolarHBondContact O-OG 3.38Å; R12-K16 PolarHBondContact O-N 3.08Å; R12-E323 IonicContact CZ-OE1 3.38Å; R12-E323 IonicContact CZ-OE2 2.95Å; R12-E323 IonicContact NH1-OE1 3.01Å; R12-E323 PolarHBondContact NH1-OE1 3.35Å; R12-E323 IonicContact NH1-OE2 3.53Å; R12-E323 PolarHBondContact NH1-OE2 2.94Å; R12-E323 IonicContact NH2-OE1 3.8Å; R12-E323 IonicContact NH2-OE2 2.77Å; R12-E323 PolarHBondContact NH2-OE2 2.94Å
13	L	29.7	Very low	32.7	Very low	104 Å²	104	101.7 Å²	101.7	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-42.7	178	-89.8	150.7	0	0	0	113.4	A9 V10 S15 K16 N17	A9-L13 PolarHBondContact O-N 2.54Å; V10-L13 PolarHBondContact O-N 2.83Å; L13-S15 VanDerWaalsContact C-N 3.34Å; L13-S15 PolarHBondContact O-N 3.16Å; L13-K16 PolarHBondContact O-N 3.34Å; L13-N17 PolarHBondContact O-N 3.01Å; L13-N17 VanDerWaalsContact O-N 3.13Å
14	F	29.2	Very low	33	Very low	151 Å²	151	96 Å²	96	66%	0.662	48%	0.475	S	S	*	.	H	α-helix	trans	-64.5	-37.3	178.8	-124.2	-87.4	0	0	0	112.5	V10 V18	V10-F14 PolarHBondContact O-N 3.42Å; V10-F14 VanDerWaalsContact O-N 3.08Å; F14-V18 HydrophobicContact CD1-CG2 4.35Å; F14-V18 VanDerWaalsContact O-CG2 3.26Å; F14-V18 WeakPolarHBondContact O-CG2 3.37Å; F14-V18 PolarHBondContact O-N 3.3Å
15	S	33.9	Very low	33.2	Very low	42 Å²	42	91.5 Å²	91.5	29%	0.294	46%	0.461	S	S	.	.	H	α-helix	trans	-68.8	-37.1	176.9	69.9	0	0	0	0	112.8	R12 L13 I19	R12-S15 PolarHBondContact O-N 2.68Å; R12-S15 PolarHBondContact O-OG 3.38Å; L13-S15 VanDerWaalsContact C-N 3.34Å; L13-S15 PolarHBondContact O-N 3.16Å; S15-I19 VanDerWaalsContact O-CD1 3.27Å; S15-I19 WeakPolarHBondContact O-CD1 3.23Å; S15-I19 WeakPolarHBondContact O-CG1 3.44Å; S15-I19 PolarHBondContact O-N 3Å
16	K	33.1	Very low	33.1	Very low	107 Å²	107	89.1 Å²	89.1	47%	0.465	46%	0.46	S	S	.	.	H	α-helix	trans	-68.9	-45.5	-179.2	-125.3	177.9	178.8	179.2	0	111.5	R12 L13 L20	R12-K16 PolarHBondContact O-N 3.08Å; L13-K16 PolarHBondContact O-N 3.34Å; K16-L20 WeakPolarHBondContact O-CB 3.13Å; K16-L20 WeakPolarHBondContact O-CD1 3.22Å; K16-L20 PolarHBondContact O-N 3.36Å
17	N	34.7	Very low	33	Very low	89 Å²	89	94.4 Å²	94.4	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-72.7	-33.9	-175.9	-74.3	-12	0	0	0	113.4	L13 R21	L13-N17 PolarHBondContact O-N 3.01Å; L13-N17 VanDerWaalsContact O-N 3.13Å; N17-R21 WeakPolarHBondContact O-CG 3.49Å; N17-R21 PolarHBondContact O-N 3.37Å
18	V	37.1	Very low	32.9	Very low	45 Å²	45	95.4 Å²	95.4	27%	0.273	49%	0.494	S	S	.	.	H	α-helix	trans	-69.4	-44.8	175.6	173.6	0	0	0	0	110.4	F14 L20 R21 H22 Y79	F14-V18 HydrophobicContact CD1-CG2 4.35Å; F14-V18 VanDerWaalsContact O-CG2 3.26Å; F14-V18 WeakPolarHBondContact O-CG2 3.37Å; F14-V18 PolarHBondContact O-N 3.3Å; V18-L20 PolarHBondContact O-N 2.87Å; V18-R21 PolarHBondContact O-N 2.9Å; V18-H22 PolarHBondContact O-CD2 2.92Å; V18-H22 PolarHBondContact O-N 3.03Å; V18-Y79 WeakPolarHBondContact CG1-OH 3.13Å
19	I	38.4	Very low	32.7	Very low	35 Å²	35	96.6 Å²	96.6	18%	0.179	50%	0.504	C	S	.	.	H	α-helix	trans	-67.8	-38.8	179.9	-60	165.4	0	0	0	111.3	S15 R21 H22 L23 L330	S15-I19 VanDerWaalsContact O-CD1 3.27Å; S15-I19 WeakPolarHBondContact O-CD1 3.23Å; S15-I19 WeakPolarHBondContact O-CG1 3.44Å; S15-I19 PolarHBondContact O-N 3Å; I19-R21 VanDerWaalsContact C-N 3.35Å; I19-R21 PolarHBondContact O-N 2.95Å; I19-H22 PolarHBondContact O-N 3.29Å; I19-L23 HydrophobicContact CG2-CD1 3.56Å; I19-L23 HydrophobicContact CG2-CG 4.23Å; I19-L23 WeakPolarHBondContact O-CD1 3.16Å; I19-L23 VanDerWaalsContact O-CG 3.28Å; I19-L23 WeakPolarHBondContact O-CG 3.16Å; I19-L23 PolarHBondContact O-N 2.92Å; I19-L330 HydrophobicContact CB-CD2 4.36Å; I19-L330 HydrophobicContact CD1-CD2 4.38Å; I19-L330 HydrophobicContact CG2-CD1 4.13Å; I19-L330 HydrophobicContact CG2-CD2 3.42Å; I19-L330 VanDerWaalsContact CG2-CD2 3.42Å; I19-L330 HydrophobicContact CG2-CG 3.84Å
20	L	35.1	Very low	32.3	Very low	80 Å²	80	99.8 Å²	99.8	42%	0.419	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-32.8	176	-88.7	157.8	0	0	0	113.8	K16 V18	K16-L20 WeakPolarHBondContact O-CB 3.13Å; K16-L20 WeakPolarHBondContact O-CD1 3.22Å; K16-L20 PolarHBondContact O-N 3.36Å; V18-L20 PolarHBondContact O-N 2.87Å
21	R	35.6	Very low	32	Very low	200 Å²	200	100.1 Å²	100.1	76%	0.755	53%	0.529	S	S	*	.	H	α-helix	trans	-73.2	-28.3	177.2	-84.5	-178.8	176.2	164.3	-2.2	113.8	N17 V18 I19 S24	N17-R21 WeakPolarHBondContact O-CG 3.49Å; N17-R21 PolarHBondContact O-N 3.37Å; V18-R21 PolarHBondContact O-N 2.9Å; I19-R21 VanDerWaalsContact C-N 3.35Å; I19-R21 PolarHBondContact O-N 2.95Å; R21-S24 PolarHBondContact O-OG 3.37Å
22	H	37.3	Very low	31.8	Very low	74 Å²	74	100.2 Å²	100.2	34%	0.343	55%	0.549	S	S	.	.	H	α-helix	trans	-88.4	-28.5	-178.5	-76.8	-70.2	0	0	0	113.1	V18 I19 S24 A25 Y79 E83	V18-H22 PolarHBondContact O-CD2 2.92Å; V18-H22 PolarHBondContact O-N 3.03Å; I19-H22 PolarHBondContact O-N 3.29Å; H22-S24 VanDerWaalsContact C-N 3.25Å; H22-S24 PolarHBondContact O-N 3.17Å; H22-A25 CarbonylContact O-C 3.59Å; H22-A25 PolarHBondContact O-N 3.46Å; H22-Y79 HydrophobicContact CB-CE1 4.32Å; H22-Y79 AromaticContact CD2-CE1 3.86Å; H22-Y79 AromaticContact CG-CE1 3.96Å; H22-E83 IonicContact ND1-OE1 2.85Å
23	L	34.9	Very low	31.6	Very low	32 Å²	32	97.9 Å²	97.9	17%	0.168	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-13	178.7	-70.6	166	0	0	0	114.4	I19 A25 L330 A334 T370	I19-L23 HydrophobicContact CG2-CD1 3.56Å; I19-L23 HydrophobicContact CG2-CG 4.23Å; I19-L23 WeakPolarHBondContact O-CD1 3.16Å; I19-L23 VanDerWaalsContact O-CG 3.28Å; I19-L23 WeakPolarHBondContact O-CG 3.16Å; I19-L23 PolarHBondContact O-N 2.92Å; L23-A25 VanDerWaalsContact C-N 3.3Å; L23-L330 HydrophobicContact CD1-CD1 3.06Å; L23-L330 HydrophobicContact CD1-CD2 4.47Å; L23-L330 HydrophobicContact CD1-CG 3.53Å; L23-A334 HydrophobicContact CD2-CB 3.83Å; L23-T370 HydrophobicContact CB-CG2 4.39Å
24	S	32.6	Very low	31.6	Very low	90 Å²	90	94 Å²	94	63%	0.629	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-11	171.5	50.4	0	0	0	0	113.2	R21 H22	R21-S24 PolarHBondContact O-OG 3.37Å; H22-S24 VanDerWaalsContact C-N 3.25Å; H22-S24 PolarHBondContact O-N 3.17Å
25	A	30.7	Very low	32	Very low	51 Å²	51	90.3 Å²	90.3	42%	0.421	52%	0.517	S	S	.	.	S	Bend	trans	-140.2	82.5	-171.5	0	0	0	0	0	110.9	H22 L23	H22-A25 CarbonylContact O-C 3.59Å; H22-A25 PolarHBondContact O-N 3.46Å; L23-A25 VanDerWaalsContact C-N 3.3Å
26	T	32.4	Very low	32	Very low	107 Å²	107	88.7 Å²	88.7	66%	0.656	51%	0.505	S	S	*	.			trans	-159.6	122.5	158.7	22.9	0	0	0	0	112.8
27	K	29.6	Very low	32.1	Very low	189 Å²	189	84.2 Å²	84.2	82%	0.822	49%	0.486	S	S	*	.			trans	-65.6	152.9	173.4	-72.8	170.3	173.4	174.4	0	110.5	V29	K27-V29 PolarHBondContact O-N 3.11Å; K27-V29 VanDerWaalsContact O-N 3.13Å
28	S	26.3	Very low	32	Very low	127 Å²	127	81 Å²	81	89%	0.888	47%	0.47	S	S	*	.			trans	-53.4	112.4	168.2	52.7	0	0	0	0	110.7
29	V	28.1	Very low	31.6	Very low	114 Å²	114	81.9 Å²	81.9	69%	0.691	48%	0.476	S	S	*	.			trans	-122.7	116.5	171.3	-179.6	0	0	0	0	108.4	K27 C31	K27-V29 PolarHBondContact O-N 3.11Å; K27-V29 VanDerWaalsContact O-N 3.13Å; V29-C31 PolarHBondContact O-N 3.41Å
30	S	23	Very low	31.2	Very low	117 Å²	117	83 Å²	83	82%	0.818	49%	0.485	S	S	*	.			trans	-60.2	108.9	166.3	52.3	0	0	0	0	108.9
31	C	26.4	Very low	30.9	Very low	95 Å²	95	82.8 Å²	82.8	64%	0.642	48%	0.481	S	S	*	.			trans	-106	102.4	-176.8	-124.9	0	0	0	0	110.3	V29 S33	V29-C31 PolarHBondContact O-N 3.41Å; C31-S33 VanDerWaalsContact C-N 3.34Å
32	S	25.8	Very low	30.6	Very low	129 Å²	129	78.3 Å²	78.3	90%	0.902	48%	0.481	S	S	*	.			trans	-87.8	16.2	176.9	51.1	0	0	0	0	114.2
33	S	28.8	Very low	30.1	Very low	77 Å²	77	78.2 Å²	78.2	54%	0.538	49%	0.493	S	S	.	.			trans	-125.9	93.8	176.5	61.2	0	0	0	0	112.4	C31 R35	C31-S33 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.16Å
34	A	30.9	Very low	29.8	Very low	24 Å²	24	84.5 Å²	84.5	20%	0.198	52%	0.519	C	S	.	.			trans	-81.9	105.7	171.6	0	0	0	0	0	110.4	C264	A34-C264 VanDerWaalsContact CB-C 3.4Å; A34-C264 HydrophobicContact CB-CB 3.52Å; A34-C264 WeakPolarHBondContact CB-O 3.39Å
35	R	37.4	Very low	29.7	Very low	73 Å²	73	87.1 Å²	87.1	28%	0.275	52%	0.519	S	S	.	.			trans	-127.2	108.6	158.6	-73.7	-172.5	-173.6	158.2	5.8	109.3	S33 A148	S33-R35 PolarHBondContact O-N 3.16Å; R35-A148 PolarHBondContact NH2-O 3.48Å
36	C	34.7	Very low	29.5	Very low	7 Å²	7	94.1 Å²	94.1	5%	0.047	53%	0.534	C	S	.	.			trans	-89.9	138.9	173.2	-59.9	0	0	0	0	109.5	T260 R261	C36-T260 HydrophobicContact CB-CG2 3.72Å; C36-T260 WeakPolarHBondContact SG-CG2 3.41Å; C36-R261 HydrophobicContact CB-CG 3.8Å; C36-R261 PolarHBondContact O-NE 3.09Å; C36-R261 PolarHBondContact O-NH2 3.42Å
37	I	34.6	Very low	29.1	Very low	13 Å²	13	95.8 Å²	95.8	7%	0.067	55%	0.545	C	S	.	.			trans	-92.8	125.2	-167.5	-59.7	161.5	0	0	0	109.8	Q72 R73 L114 D257	I37-Q72 WeakPolarHBondContact CD1-O 3.26Å; I37-R73 HydrophobicContact CB-CG 3.99Å; I37-R73 HydrophobicContact CG2-CG 4.33Å; I37-R73 WeakPolarHBondContact O-CD 3.35Å; I37-R73 VanDerWaalsContact O-CG 3.23Å; I37-R73 WeakPolarHBondContact O-CG 3.16Å; I37-R73 PolarHBondContact O-NE 3.41Å; I37-L114 HydrophobicContact CD1-CD2 3.39Å; I37-L114 HydrophobicContact CG1-CD2 4.33Å; I37-D257 VanDerWaalsContact C-OD1 3.26Å
38	S	31.6	Very low	29	Very low	21 Å²	21	93.6 Å²	93.6	15%	0.147	53%	0.532	C	S	.	.			trans	-109.8	119.8	158.8	42.4	0	0	0	0	110.7	K113 D257 R261	S38-K113 PolarHBondContact O-NZ 3.13Å; S38-D257 WeakPolarHBondContact CB-OD2 3.23Å; S38-D257 PolarHBondContact N-OD1 2.8Å; S38-D257 PolarHBondContact OG-OD2 3.41Å; S38-R261 PolarHBondContact OG-NH2 2.73Å
39	T	29	Very low	29	Very low	64 Å²	64	94.4 Å²	94.4	39%	0.393	52%	0.522	S	S	.	.			trans	-175.3	97.3	152.3	19.3	0	0	0	0	110.7
40	V	30	Very low	29	Very low	59 Å²	59	93.6 Å²	93.6	36%	0.358	52%	0.519	S	S	.	.	S	Bend	trans	-141.6	-29.7	154.1	178.9	0	0	0	0	110.8
41	E	29.7	Very low	29.2	Very low	75 Å²	75	94.7 Å²	94.7	35%	0.35	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-76	-33.6	-174.4	-76.7	-167.6	161.8	0	0	115.5	A43 K44 S251 V253	E41-A43 PolarHBondContact O-N 3.41Å; E41-K44 PolarHBondContact O-N 3.3Å; E41-S251 PolarHBondContact OE2-OG 3.06Å; E41-V253 VanDerWaalsContact CD-CB 3.44Å; E41-V253 HydrophobicContact CG-CB 4.1Å; E41-V253 HydrophobicContact CG-CG1 4.15Å; E41-V253 HydrophobicContact CG-CG2 3.78Å; E41-V253 WeakPolarHBondContact OE1-CG2 3.25Å; E41-V253 WeakPolarHBondContact OE2-CB 3.49Å; E41-V253 WeakPolarHBondContact OE2-CG2 3.32Å
42	S	28.6	Very low	29.5	Very low	106 Å²	106	96.4 Å²	96.4	74%	0.741	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-73.6	-9.7	177.9	54.1	0	0	0	0	114.2
43	A	27.5	Very low	29.6	Very low	73 Å²	73	94.8 Å²	94.8	60%	0.603	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-96	-12.3	175.5	0	0	0	0	0	113.8	E41 K45	E41-A43 PolarHBondContact O-N 3.41Å; A43-K45 VanDerWaalsContact C-N 3.32Å; A43-K45 PolarHBondContact O-N 3.45Å
44	K	28.7	Very low	29.7	Very low	164 Å²	164	99.2 Å²	99.2	71%	0.713	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8.4	-178.2	-84.2	-175.4	174.9	-179.6	0	114.4	E41	E41-K44 PolarHBondContact O-N 3.3Å
45	K	30.3	Very low	29.9	Very low	144 Å²	144	108.2 Å²	108.2	63%	0.626	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	11.9	-178	-85	-174.5	175.1	176.9	0	116.2	A43 E246	A43-K45 VanDerWaalsContact C-N 3.32Å; A43-K45 PolarHBondContact O-N 3.45Å; K45-E246 WeakPolarHBondContact CE-OE2 3.24Å; K45-E246 IonicContact NZ-OE2 2.75Å; K45-E246 PolarHBondContact NZ-OE2 2.87Å
46	R	25.3	Very low	29.7	Very low	198 Å²	198	111.8 Å²	111.8	75%	0.747	58%	0.576	S	S	*	*	S	Bend	trans	-114.7	102.1	163.6	-78.4	-175.7	178.9	170.7	0.5	109.4	Y48	R46-Y48 PolarHBondContact O-N 2.71Å
47	T	24.7	Very low	29.7	Very low	142 Å²	142	117.5 Å²	117.5	87%	0.871	62%	0.616	S	S	*	*			trans	-55.8	103.5	164.5	35.1	0	0	0	0	108.8	E49	T47-E49 PolarHBondContact O-N 2.69Å
48	Y	27.7	Very low	30	Very low	143 Å²	143	122.7 Å²	122.7	56%	0.561	64%	0.644	S	S	*	*			trans	-83.8	99.3	171.1	-163.4	-89.8	0	0	0	107.8	R46	R46-Y48 PolarHBondContact O-N 2.71Å
49	E	25.9	Very low	30.7	Very low	144 Å²	144	127.3 Å²	127.3	67%	0.673	67%	0.667	S	S	*	*			trans	-73.3	122.5	161.4	-76.2	-166.3	165.5	0	0	108.5	T47 N51	T47-E49 PolarHBondContact O-N 2.69Å; E49-N51 VanDerWaalsContact C-N 3.28Å; E49-N51 PolarHBondContact O-N 2.9Å
50	P	27.8	Very low	31.7	Very low	97 Å²	97	128.6 Å²	128.6	63%	0.63	68%	0.675	S	S	*	*			trans	-78.8	74.2	-176.4	33.1	-33.4	0	0	0	110.9	L52	P50-L52 VanDerWaalsContact C-N 3.33Å; P50-L52 PolarHBondContact O-N 3.39Å
51	N	28.2	Very low	32.8	Very low	141 Å²	141	126.3 Å²	126.3	75%	0.754	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	19.6	176.5	-77.6	-29.1	0	0	0	114.3	E49	E49-N51 VanDerWaalsContact C-N 3.28Å; E49-N51 PolarHBondContact O-N 2.9Å
52	L	32.2	Very low	34.1	Very low	131 Å²	131	125.4 Å²	125.4	69%	0.686	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	19.2	177.5	-87.3	160.2	0	0	0	114.1	P50 L54	P50-L52 VanDerWaalsContact C-N 3.33Å; P50-L52 PolarHBondContact O-N 3.39Å; L52-L54 PolarHBondContact O-N 3.42Å
53	A	28.1	Very low	35.8	Very low	95 Å²	95	123.4 Å²	123.4	79%	0.785	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	13.1	-176.5	0	0	0	0	0	116.4
54	L	31.3	Very low	37.4	Very low	170 Å²	170	123.4 Å²	123.4	89%	0.89	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	2.2	-169.4	-87.5	154.9	0	0	0	115.9	L52	L52-L54 PolarHBondContact O-N 3.42Å
55	R	34.1	Very low	39	Very low	213 Å²	213	115.6 Å²	115.6	80%	0.804	60%	0.6	S	S	*	*	S	Bend	trans	-125.5	-7.9	-173.1	-79.7	-173.4	173.5	179.3	-1.6	119.1
56	F	33.1	Very low	40.1	Very low	147 Å²	147	110.5 Å²	110.5	65%	0.645	58%	0.58	S	S	*	*			trans	-141.3	125.1	177.6	-68.9	-79.5	0	0	0	112.5	D58	F56-D58 VanDerWaalsContact C-N 3.32Å
57	S	36.5	Very low	41.9	Very low	127 Å²	127	103.3 Å²	103.3	89%	0.888	55%	0.554	S	S	*	*	S	Bend	trans	-78.3	-8.2	177.3	46.3	0	0	0	0	114.3
58	D	39.9	Very low	43.9	Very low	123 Å²	123	97.3 Å²	97.3	66%	0.658	52%	0.516	S	S	*	.			trans	-115.7	72	-178.4	-93.5	-26.4	0	0	0	112.8	F56 T60	F56-D58 VanDerWaalsContact C-N 3.32Å; D58-T60 PolarHBondContact O-N 3.18Å; D58-T60 VanDerWaalsContact O-N 3.12Å
59	N	45.3	Very low	45.4	Very low	117 Å²	117	91.8 Å²	91.8	63%	0.626	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.5	174.3	-100.6	-20.1	0	0	0	114.4	T63	N59-T63 WeakPolarHBondContact O-CG2 3.44Å
60	T	51.9	Low	46.9	Very low	91 Å²	91	93.1 Å²	93.1	56%	0.558	50%	0.495	S	S	*	.	H	α-helix	trans	-70	-38.8	-176.6	53.2	0	0	0	0	112	D58 T63 D64	D58-T60 PolarHBondContact O-N 3.18Å; D58-T60 VanDerWaalsContact O-N 3.12Å; T60-T63 PolarHBondContact O-OG1 2.86Å; T60-D64 PolarHBondContact O-N 3.48Å
61	G	53.2	Low	48.6	Very low	12 Å²	12	92.8 Å²	92.8	12%	0.124	48%	0.483	C	S	.	.	H	α-helix	trans	-73.7	-39.6	-170.6	0	0	0	0	0	116.2	D64 I65	G61-D64 PolarHBondContact O-N 2.69Å; G61-I65 PolarHBondContact O-N 3.39Å
62	L	56.3	Low	50.4	Low	55 Å²	55	86.3 Å²	86.3	29%	0.288	45%	0.448	S	S	.	.	H	α-helix	trans	-70.8	-36.4	179.3	-69.8	177.2	0	0	0	111.8	D64 I65 D66 A98 L103	L62-D64 VanDerWaalsContact C-N 3.26Å; L62-D64 PolarHBondContact O-N 2.96Å; L62-I65 HydrophobicContact CD2-CD1 4.46Å; L62-I65 PolarHBondContact O-N 3.13Å; L62-D66 PolarHBondContact O-N 3.14Å; L62-A98 HydrophobicContact CD1-CB 4.45Å; L62-A98 HydrophobicContact CD2-CB 3.77Å; L62-L103 HydrophobicContact CD2-CD1 3.32Å; L62-L103 HydrophobicContact CG-CD1 4.46Å
63	T	63.1	Low	51.9	Low	65 Å²	65	80.8 Å²	80.8	40%	0.399	42%	0.418	S	S	.	.	H	α-helix	trans	-66.5	-29.3	175.2	66.6	0	0	0	0	112.5	N59 T60 K67	N59-T63 WeakPolarHBondContact O-CG2 3.44Å; T60-T63 PolarHBondContact O-OG1 2.86Å; T63-K67 VanDerWaalsContact O-CB 3.23Å; T63-K67 WeakPolarHBondContact O-CB 3.29Å; T63-K67 WeakPolarHBondContact O-CD 3.24Å; T63-K67 WeakPolarHBondContact O-CE 3.18Å; T63-K67 WeakPolarHBondContact O-CG 3.33Å; T63-K67 PolarHBondContact O-N 2.9Å; T63-K67 PolarHBondContact OG1-NZ 3.26Å
64	D	61.8	Low	53.6	Low	72 Å²	72	77.7 Å²	77.7	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-73.8	-35.8	176.2	-70.8	-18.1	0	0	0	112.4	T60 G61 L62 K67 F68	T60-D64 PolarHBondContact O-N 3.48Å; G61-D64 PolarHBondContact O-N 2.69Å; L62-D64 VanDerWaalsContact C-N 3.26Å; L62-D64 PolarHBondContact O-N 2.96Å; D64-K67 IonicContact OD1-NZ 3.05Å; D64-K67 PolarHBondContact OD1-NZ 3.42Å; D64-F68 VanDerWaalsContact O-CB 3.22Å; D64-F68 WeakPolarHBondContact O-CB 3.33Å; D64-F68 PolarHBondContact O-N 3.13Å
65	I	61.7	Low	55	Low	1 Å²	1	71.8 Å²	71.8	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-48	172.3	-64.6	162	0	0	0	110	G61 L62 K67 F68 L69 F91 R94 I95 L103	G61-I65 PolarHBondContact O-N 3.39Å; L62-I65 HydrophobicContact CD2-CD1 4.46Å; L62-I65 PolarHBondContact O-N 3.13Å; I65-K67 PolarHBondContact O-N 2.95Å; I65-F68 WeakPolarHBondContact O-CA 3.43Å; I65-F68 WeakPolarHBondContact O-CB 3.21Å; I65-F68 PolarHBondContact O-N 2.66Å; I65-F68 VanDerWaalsContact O-N 3.08Å; I65-L69 HydrophobicContact CG2-CD1 3.97Å; I65-L69 HydrophobicContact CG2-CG 4.31Å; I65-L69 WeakPolarHBondContact O-CB 3.36Å; I65-L69 VanDerWaalsContact O-CG 3.27Å; I65-L69 WeakPolarHBondContact O-CG 3.44Å; I65-L69 PolarHBondContact O-N 2.9Å; I65-F91 HydrophobicContact CG1-CD1 3.9Å; I65-F91 HydrophobicContact CG1-CE1 4.32Å; I65-F91 HydrophobicContact CG1-CG 4.3Å; I65-R94 HydrophobicContact CD1-CB 4.26Å; I65-I95 HydrophobicContact CD1-CG1 3.88Å; I65-I95 HydrophobicContact CG2-CD1 4.16Å; I65-I95 HydrophobicContact CG2-CG1 4.36Å; I65-L103 HydrophobicContact CG2-CD2 4.31Å
66	D	54.2	Low	56.2	Low	37 Å²	37	62.2 Å²	62.2	20%	0.198	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.3	-170.6	67.5	0	0	0	111.8	L62 F68 L69 R70 R106	L62-D66 PolarHBondContact O-N 3.14Å; D66-F68 VanDerWaalsContact C-N 3.3Å; D66-F68 PolarHBondContact O-N 3.31Å; D66-L69 PolarHBondContact O-N 3.28Å; D66-R70 WeakPolarHBondContact O-CG 3.39Å; D66-R70 PolarHBondContact O-N 2.7Å; D66-R70 IonicContact OD2-CZ 2.9Å; D66-R70 VanDerWaalsContact OD2-CZ 3.25Å; D66-R70 IonicContact OD2-NE 3.02Å; D66-R70 PolarHBondContact OD2-NE 3.38Å; D66-R70 IonicContact OD2-NH2 3.07Å; D66-R70 PolarHBondContact OD2-NH2 3.4Å; D66-R106 IonicContact OD1-NH1 3.37Å; D66-R106 PolarHBondContact OD1-NH1 3.2Å
67	K	64.1	Low	57.3	Low	46 Å²	46	55.8 Å²	55.8	20%	0.2	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-40.3	172	-76.7	168.4	-147.2	152.9	0	111.8	T63 D64 I65 K71	T63-K67 VanDerWaalsContact O-CB 3.23Å; T63-K67 WeakPolarHBondContact O-CB 3.29Å; T63-K67 WeakPolarHBondContact O-CD 3.24Å; T63-K67 WeakPolarHBondContact O-CE 3.18Å; T63-K67 WeakPolarHBondContact O-CG 3.33Å; T63-K67 PolarHBondContact O-N 2.9Å; T63-K67 PolarHBondContact OG1-NZ 3.26Å; D64-K67 IonicContact OD1-NZ 3.05Å; D64-K67 PolarHBondContact OD1-NZ 3.42Å; I65-K67 PolarHBondContact O-N 2.95Å; K67-K71 WeakPolarHBondContact O-CG 3.25Å; K67-K71 PolarHBondContact O-N 3.32Å
68	F	65.4	Low	58.3	Low	16 Å²	16	51.8 Å²	51.8	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-48.2	178.4	177.7	-93.4	0	0	0	110.5	D64 I65 D66 R70 K71 Q72 A87 F91 M110	D64-F68 VanDerWaalsContact O-CB 3.22Å; D64-F68 WeakPolarHBondContact O-CB 3.33Å; D64-F68 PolarHBondContact O-N 3.13Å; I65-F68 WeakPolarHBondContact O-CA 3.43Å; I65-F68 WeakPolarHBondContact O-CB 3.21Å; I65-F68 PolarHBondContact O-N 2.66Å; I65-F68 VanDerWaalsContact O-N 3.08Å; D66-F68 VanDerWaalsContact C-N 3.3Å; D66-F68 PolarHBondContact O-N 3.31Å; F68-R70 PolarHBondContact O-N 2.88Å; F68-K71 PolarHBondContact O-N 2.9Å; F68-K71 VanDerWaalsContact O-N 3.12Å; F68-Q72 HydrophobicContact CD1-CG 4.16Å; F68-Q72 VanDerWaalsContact CD2-NE2 3.35Å; F68-Q72 HydrophobicContact CE1-CG 3.97Å; F68-Q72 WeakPolarHBondContact O-CG 3.48Å; F68-Q72 PolarHBondContact O-N 3.28Å; F68-Q72 PolarHBondContact O-NE2 3.35Å; F68-A87 HydrophobicContact CE2-CB 3.98Å; F68-A87 WeakPolarHBondContact CE2-O 3.38Å; F68-A87 HydrophobicContact CZ-CB 4.14Å; F68-F91 HydrophobicContact CB-CE2 4.09Å; F68-F91 HydrophobicContact CB-CZ 4.2Å; F68-F91 AromaticContact CD1-CD2 3.93Å; F68-F91 HydrophobicContact CD1-CD2 3.93Å; F68-F91 AromaticContact CD1-CE2 3.37Å; F68-F91 HydrophobicContact CD1-CE2 3.37Å; F68-F91 HydrophobicContact CD1-CZ 4.28Å; F68-F91 AromaticContact CD2-CE2 3.59Å; F68-F91 HydrophobicContact CD2-CE2 3.59Å; F68-F91 AromaticContact CD2-CZ 3.89Å; F68-F91 HydrophobicContact CD2-CZ 3.89Å; F68-F91 AromaticContact CE1-CD2 3.96Å; F68-F91 HydrophobicContact CE1-CD2 3.96Å; F68-F91 AromaticContact CE1-CE2 3.51Å; F68-F91 HydrophobicContact CE1-CE2 3.51Å; F68-F91 AromaticContact CE2-CE2 3.72Å; F68-F91 HydrophobicContact CE2-CE2 3.72Å; F68-F91 HydrophobicContact CE2-CZ 4.29Å; F68-F91 HydrophobicContact CG-CD2 4.36Å; F68-F91 AromaticContact CG-CE2 3.4Å; F68-F91 HydrophobicContact CG-CE2 3.4Å; F68-F91 VanDerWaalsContact CG-CE2 3.4Å; F68-F91 AromaticContact CG-CZ 3.88Å; F68-F91 HydrophobicContact CG-CZ 3.88Å; F68-F91 HydrophobicContact CZ-CD2 4.42Å; F68-F91 AromaticContact CZ-CE2 3.68Å; F68-F91 HydrophobicContact CZ-CE2 3.68Å; F68-M110 HydrophobicContact CE1-CE 4.25Å
69	L	59.7	Low	59.4	Low	27 Å²	27	46.9 Å²	46.9	14%	0.141	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-44.9	179	-69.3	172.8	0	0	0	111.4	I65 D66 K71 Q72 L103 R106 M110	I65-L69 HydrophobicContact CG2-CD1 3.97Å; I65-L69 HydrophobicContact CG2-CG 4.31Å; I65-L69 WeakPolarHBondContact O-CB 3.36Å; I65-L69 VanDerWaalsContact O-CG 3.27Å; I65-L69 WeakPolarHBondContact O-CG 3.44Å; I65-L69 PolarHBondContact O-N 2.9Å; D66-L69 PolarHBondContact O-N 3.28Å; L69-K71 VanDerWaalsContact C-N 3.27Å; L69-K71 PolarHBondContact O-N 3.42Å; L69-Q72 PolarHBondContact O-N 3.07Å; L69-L103 HydrophobicContact CD1-CD2 4.45Å; L69-R106 HydrophobicContact CD1-CB 4.03Å; L69-M110 HydrophobicContact CD2-CB 3.8Å; L69-M110 HydrophobicContact CD2-CE 3.86Å; L69-M110 HydrophobicContact CD2-CG 3.72Å
70	R	57	Low	60.3	Low	173 Å²	173	43.7 Å²	43.7	65%	0.653	23%	0.225	S	C	*	.	H	α-helix	trans	-62.1	-31.1	175.9	-69.8	-179.4	-163.5	-140.7	2.7	113.7	D66 F68	D66-R70 WeakPolarHBondContact O-CG 3.39Å; D66-R70 PolarHBondContact O-N 2.7Å; D66-R70 IonicContact OD2-CZ 2.9Å; D66-R70 VanDerWaalsContact OD2-CZ 3.25Å; D66-R70 IonicContact OD2-NE 3.02Å; D66-R70 PolarHBondContact OD2-NE 3.38Å; D66-R70 IonicContact OD2-NH2 3.07Å; D66-R70 PolarHBondContact OD2-NH2 3.4Å; F68-R70 PolarHBondContact O-N 2.88Å
71	K	63.7	Low	61	Low	90 Å²	90	42.6 Å²	42.6	39%	0.391	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.5	-179.1	-72.6	-179.7	178.5	-175.9	0	113.9	K67 F68 L69 R73 K75	K67-K71 WeakPolarHBondContact O-CG 3.25Å; K67-K71 PolarHBondContact O-N 3.32Å; F68-K71 PolarHBondContact O-N 2.9Å; F68-K71 VanDerWaalsContact O-N 3.12Å; L69-K71 VanDerWaalsContact C-N 3.27Å; L69-K71 PolarHBondContact O-N 3.42Å; K71-R73 PolarHBondContact O-N 3.17Å; K71-K75 HydrophobicContact CB-CD 4.38Å; K71-K75 PolarHBondContact O-N 3.22Å
72	Q	65.4	Low	61.7	Low	4 Å²	4	49.4 Å²	49.4	2%	0.019	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-25.3	-173.7	-73.3	-45.6	-60.1	0	0	114	I37 F68 L69 I74 K75 G76 M110	I37-Q72 WeakPolarHBondContact CD1-O 3.26Å; F68-Q72 HydrophobicContact CD1-CG 4.16Å; F68-Q72 VanDerWaalsContact CD2-NE2 3.35Å; F68-Q72 HydrophobicContact CE1-CG 3.97Å; F68-Q72 WeakPolarHBondContact O-CG 3.48Å; F68-Q72 PolarHBondContact O-N 3.28Å; F68-Q72 PolarHBondContact O-NE2 3.35Å; L69-Q72 PolarHBondContact O-N 3.07Å; Q72-I74 VanDerWaalsContact C-N 3.31Å; Q72-I74 PolarHBondContact O-N 3.38Å; Q72-K75 PolarHBondContact O-N 3.03Å; Q72-G76 PolarHBondContact O-N 2.97Å; Q72-M110 HydrophobicContact CB-CG 4.45Å; Q72-M110 HydrophobicContact CG-CG 3.93Å; Q72-M110 HydrophobicContact CG-SD 4.21Å
73	R	64.8	Low	62.2	Low	16 Å²	16	48.9 Å²	48.9	6%	0.06	25%	0.245	C	C	.	.	H	α-helix	trans	-55.3	-46.7	-178.2	-152.4	-171.7	170.5	-148.2	-11	113.2	I37 K71 F291 T295 I298	I37-R73 HydrophobicContact CB-CG 3.99Å; I37-R73 HydrophobicContact CG2-CG 4.33Å; I37-R73 WeakPolarHBondContact O-CD 3.35Å; I37-R73 VanDerWaalsContact O-CG 3.23Å; I37-R73 WeakPolarHBondContact O-CG 3.16Å; I37-R73 PolarHBondContact O-NE 3.41Å; K71-R73 PolarHBondContact O-N 3.17Å; R73-F291 VanDerWaalsContact NE-CZ 3.27Å; R73-F291 PolarHBondContact NH1-O 3.34Å; R73-F291 VanDerWaalsContact NH2-CZ 3.27Å; R73-T295 PolarHBondContact NH1-OG1 3.38Å; R73-T295 PolarHBondContact NH2-OG1 3.38Å; R73-I298 HydrophobicContact CB-CD1 4.47Å; R73-I298 HydrophobicContact CG-CD1 3.74Å; R73-I298 WeakPolarHBondContact O-CD1 3.29Å
74	I	62.3	Low	62.5	Low	29 Å²	29	46 Å²	46	15%	0.149	23%	0.227	C	C	.	.	H	α-helix	trans	-80.8	-39.8	178.5	-57.3	177	0	0	0	110.8	Q72 A77 L78 D294 K297 Y331	Q72-I74 VanDerWaalsContact C-N 3.31Å; Q72-I74 PolarHBondContact O-N 3.38Å; I74-A77 PolarHBondContact O-N 2.85Å; I74-L78 HydrophobicContact CG2-CD1 3.93Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CG 3.47Å; I74-L78 PolarHBondContact O-N 3.16Å; I74-L78 VanDerWaalsContact O-N 3.13Å; I74-D294 HydrophobicContact CD1-CB 4.37Å; I74-D294 WeakPolarHBondContact CD1-OD1 3.44Å; I74-D294 HydrophobicContact CG1-CB 4.22Å; I74-K297 HydrophobicContact CD1-CD 4.04Å; I74-Y331 HydrophobicContact CG2-CD1 4.39Å; I74-Y331 HydrophobicContact CG2-CE1 3.34Å
75	K	61.8	Low	63.2	Low	46 Å²	46	47.5 Å²	47.5	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-44.9	-177.6	-76.8	-177.3	161.4	-157.6	0	112.3	K71 Q72 A77 L78 Y79	K71-K75 HydrophobicContact CB-CD 4.38Å; K71-K75 PolarHBondContact O-N 3.22Å; Q72-K75 PolarHBondContact O-N 3.03Å; K75-A77 PolarHBondContact O-N 3.37Å; K75-L78 PolarHBondContact O-N 3.38Å; K75-L78 VanDerWaalsContact O-N 3.08Å; K75-Y79 HydrophobicContact CB-CD2 3.69Å; K75-Y79 HydrophobicContact CB-CE2 3.63Å; K75-Y79 HydrophobicContact CD-CE2 3.77Å; K75-Y79 HydrophobicContact CG-CD2 4.19Å; K75-Y79 HydrophobicContact CG-CE2 3.58Å; K75-Y79 VanDerWaalsContact O-CB 3.27Å; K75-Y79 WeakPolarHBondContact O-CB 3.34Å; K75-Y79 WeakPolarHBondContact O-CD2 3.22Å; K75-Y79 PolarHBondContact O-N 3.14Å
76	G	58.9	Low	63.9	Low	13 Å²	13	53.3 Å²	53.3	13%	0.134	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-22.2	176.3	0	0	0	0	0	113.9	Q72	Q72-G76 PolarHBondContact O-N 2.97Å
77	A	57	Low	64.6	Low	12 Å²	12	53.2 Å²	53.2	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-79.8	-34.3	172.5	0	0	0	0	0	113.1	I74 K75 I298 K302	I74-A77 PolarHBondContact O-N 2.85Å; K75-A77 PolarHBondContact O-N 3.37Å; A77-I298 HydrophobicContact CB-CB 4.15Å; A77-I298 HydrophobicContact CB-CG1 3.82Å; A77-I298 HydrophobicContact CB-CG2 3.72Å; A77-K302 WeakPolarHBondContact O-CE 3.32Å; A77-K302 PolarHBondContact O-NZ 2.95Å
78	L	56.4	Low	65.1	Low	43 Å²	43	51.1 Å²	51.1	23%	0.225	26%	0.255	C	S	.	.	H	α-helix	trans	-85	-33.5	-178.9	-73.5	175	0	0	0	113.8	I74 K75 A301 Y331 A334	I74-L78 HydrophobicContact CG2-CD1 3.93Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CG 3.47Å; I74-L78 PolarHBondContact O-N 3.16Å; I74-L78 VanDerWaalsContact O-N 3.13Å; K75-L78 PolarHBondContact O-N 3.38Å; K75-L78 VanDerWaalsContact O-N 3.08Å; L78-A301 HydrophobicContact CD2-CB 3.73Å; L78-Y331 HydrophobicContact CD1-CD1 4.37Å; L78-Y331 HydrophobicContact CD1-CE1 3.83Å; L78-Y331 HydrophobicContact CD2-CD1 4.03Å; L78-Y331 HydrophobicContact CD2-CE1 4.32Å; L78-Y331 HydrophobicContact CG-CD1 4.44Å; L78-Y331 HydrophobicContact CG-CE1 4.31Å; L78-A334 HydrophobicContact CD2-CB 3.58Å
79	Y	63.4	Low	65.8	Low	19 Å²	19	57.5 Å²	57.5	8%	0.075	28%	0.282	C	S	.	.	S	Bend	trans	-95.9	143.6	-172.4	-66.5	-32	0	0	0	111.8	V18 H22 K75 E83 N84	V18-Y79 WeakPolarHBondContact CG1-OH 3.13Å; H22-Y79 HydrophobicContact CB-CE1 4.32Å; H22-Y79 AromaticContact CD2-CE1 3.86Å; H22-Y79 AromaticContact CG-CE1 3.96Å; K75-Y79 HydrophobicContact CB-CD2 3.69Å; K75-Y79 HydrophobicContact CB-CE2 3.63Å; K75-Y79 HydrophobicContact CD-CE2 3.77Å; K75-Y79 HydrophobicContact CG-CD2 4.19Å; K75-Y79 HydrophobicContact CG-CE2 3.58Å; K75-Y79 VanDerWaalsContact O-CB 3.27Å; K75-Y79 WeakPolarHBondContact O-CB 3.34Å; K75-Y79 WeakPolarHBondContact O-CD2 3.22Å; K75-Y79 PolarHBondContact O-N 3.14Å; Y79-E83 VanDerWaalsContact CA-OE2 3.26Å; Y79-E83 WeakPolarHBondContact CA-OE2 3.27Å; Y79-E83 HydrophobicContact CD1-CB 4.25Å; Y79-E83 HydrophobicContact CG-CB 4.08Å; Y79-N84 WeakPolarHBondContact CB-OD1 3.35Å; Y79-N84 PolarHBondContact O-ND2 2.78Å
80	S	64.3	Low	66.9	Low	51 Å²	51	58.2 Å²	58.2	36%	0.357	30%	0.296	S	S	.	.			trans	-63.1	165.5	165.9	78	0	0	0	0	110.9	E82 E83 N84	S80-E82 PolarHBondContact O-N 3Å; S80-E82 PolarHBondContact OG-N 2.68Å; S80-E83 PolarHBondContact N-OE2 3.08Å; S80-E83 PolarHBondContact O-N 3.38Å; S80-E83 WeakPolarHBondContact OG-CG 3.5Å; S80-E83 PolarHBondContact OG-N 3.37Å; S80-E83 VanDerWaalsContact OG-N 3.12Å; S80-N84 PolarHBondContact O-N 3.44Å; S80-N84 PolarHBondContact O-ND2 3.41Å
81	C	66.3	Low	68.2	Low	67 Å²	67	51.2 Å²	51.2	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-55.4	-40.5	172.3	-68.4	0	0	0	0	111.5	N84 E85 L116	C81-N84 PolarHBondContact O-N 2.97Å; C81-E85 WeakPolarHBondContact O-CB 3.28Å; C81-E85 PolarHBondContact O-N 3.02Å; C81-L116 HydrophobicContact CB-CD2 4.44Å; C81-L116 VanDerWaalsContact O-CD2 3.3Å; C81-L116 WeakPolarHBondContact O-CD2 3.17Å
82	E	69.3	Low	69.4	Low	155 Å²	155	48.6 Å²	48.6	72%	0.724	26%	0.258	S	S	*	.	H	α-helix	trans	-64.3	-42.3	178.8	-61.7	175.6	176.1	0	0	112.2	S80 E85 Q86	S80-E82 PolarHBondContact O-N 3Å; S80-E82 PolarHBondContact OG-N 2.68Å; E82-E85 WeakPolarHBondContact O-CB 2.93Å; E82-E85 PolarHBondContact O-N 3.16Å; E82-Q86 WeakPolarHBondContact O-CB 3.36Å; E82-Q86 PolarHBondContact O-N 3.01Å
83	E	66.2	Low	70.4	Confident	44 Å²	44	51.6 Å²	51.6	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-68.8	-39.6	178.3	-73.6	179.8	129	0	0	111.8	H22 Y79 S80 E85 Q86 A87	H22-E83 IonicContact ND1-OE1 2.85Å; Y79-E83 VanDerWaalsContact CA-OE2 3.26Å; Y79-E83 WeakPolarHBondContact CA-OE2 3.27Å; Y79-E83 HydrophobicContact CD1-CB 4.25Å; Y79-E83 HydrophobicContact CG-CB 4.08Å; S80-E83 PolarHBondContact N-OE2 3.08Å; S80-E83 PolarHBondContact O-N 3.38Å; S80-E83 WeakPolarHBondContact OG-CG 3.5Å; S80-E83 PolarHBondContact OG-N 3.37Å; S80-E83 VanDerWaalsContact OG-N 3.12Å; E83-E85 VanDerWaalsContact C-N 3.31Å; E83-Q86 PolarHBondContact O-N 3.06Å; E83-A87 WeakPolarHBondContact O-CB 3.47Å; E83-A87 PolarHBondContact O-N 3.36Å
84	N	68.3	Low	71.3	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-40.2	172.8	-77.1	-52.3	0	0	0	111.3	Y79 S80 C81 A87 S88 L114 L116	Y79-N84 WeakPolarHBondContact CB-OD1 3.35Å; Y79-N84 PolarHBondContact O-ND2 2.78Å; S80-N84 PolarHBondContact O-N 3.44Å; S80-N84 PolarHBondContact O-ND2 3.41Å; C81-N84 PolarHBondContact O-N 2.97Å; N84-A87 PolarHBondContact O-N 3.31Å; N84-S88 WeakPolarHBondContact O-CB 3.27Å; N84-S88 PolarHBondContact O-N 2.79Å; N84-S88 PolarHBondContact O-OG 2.95Å; N84-L114 HydrophobicContact CB-CD1 4.13Å; N84-L116 HydrophobicContact CB-CD1 4.32Å; N84-L116 HydrophobicContact CB-CD2 4.29Å
85	E	77.3	Confident	72.4	Confident	104 Å²	104	54.7 Å²	54.7	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-50	175	-177.3	155	-142.7	0	0	111.1	C81 E82 E83 A87 S88 K89 R111 L116	C81-E85 WeakPolarHBondContact O-CB 3.28Å; C81-E85 PolarHBondContact O-N 3.02Å; E82-E85 WeakPolarHBondContact O-CB 2.93Å; E82-E85 PolarHBondContact O-N 3.16Å; E83-E85 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.36Å; E85-S88 CarbonylContact O-C 3.17Å; E85-S88 PolarHBondContact O-N 3.38Å; E85-S88 VanDerWaalsContact O-N 3.13Å; E85-S88 PolarHBondContact O-OG 3.46Å; E85-K89 PolarHBondContact O-N 3.31Å; E85-K89 VanDerWaalsContact O-N 3.11Å; E85-R111 IonicContact OE1-NH2 3.25Å; E85-L116 HydrophobicContact CB-CD2 4.06Å
86	Q	76.4	Confident	73.7	Confident	123 Å²	123	53.4 Å²	53.4	58%	0.575	29%	0.289	S	S	*	.	H	α-helix	trans	-63.2	-39.7	178.3	-175.9	64.5	5.9	0	0	112.4	E82 E83 S88 K89	E82-Q86 WeakPolarHBondContact O-CB 3.36Å; E82-Q86 PolarHBondContact O-N 3.01Å; E83-Q86 PolarHBondContact O-N 3.06Å; Q86-S88 VanDerWaalsContact C-N 3.26Å; Q86-S88 PolarHBondContact O-N 3.31Å; Q86-K89 WeakPolarHBondContact O-CB 3.11Å; Q86-K89 PolarHBondContact O-N 3.29Å
87	A	69	Low	74.9	Confident	36 Å²	36	61.5 Å²	61.5	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-69.3	-25.3	177.2	0	0	0	0	0	112.8	F68 E83 N84 E85 F91	F68-A87 HydrophobicContact CE2-CB 3.98Å; F68-A87 WeakPolarHBondContact CE2-O 3.38Å; F68-A87 HydrophobicContact CZ-CB 4.14Å; E83-A87 WeakPolarHBondContact O-CB 3.47Å; E83-A87 PolarHBondContact O-N 3.36Å; N84-A87 PolarHBondContact O-N 3.31Å; E85-A87 PolarHBondContact O-N 3.36Å; A87-F91 VanDerWaalsContact O-CE2 3.28Å; A87-F91 WeakPolarHBondContact O-CE2 3.22Å
88	S	75.2	Confident	76.2	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-86.6	-6.9	174.2	76.5	0	0	0	0	113.7	N84 E85 Q86 G90 F91	N84-S88 WeakPolarHBondContact O-CB 3.27Å; N84-S88 PolarHBondContact O-N 2.79Å; N84-S88 PolarHBondContact O-OG 2.95Å; E85-S88 CarbonylContact O-C 3.17Å; E85-S88 PolarHBondContact O-N 3.38Å; E85-S88 VanDerWaalsContact O-N 3.13Å; E85-S88 PolarHBondContact O-OG 3.46Å; Q86-S88 VanDerWaalsContact C-N 3.26Å; Q86-S88 PolarHBondContact O-N 3.31Å; S88-G90 PolarHBondContact O-N 3.17Å; S88-F91 WeakPolarHBondContact O-CB 3.43Å; S88-F91 PolarHBondContact O-N 3.05Å; S88-F91 VanDerWaalsContact O-N 3.13Å
89	K	80	Confident	77.4	Confident	150 Å²	150	62 Å²	62	65%	0.652	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	131	-174.6	-169	172.1	-177.5	174.3	0	111.2	E85 Q86 F91	E85-K89 PolarHBondContact O-N 3.31Å; E85-K89 VanDerWaalsContact O-N 3.11Å; Q86-K89 WeakPolarHBondContact O-CB 3.11Å; Q86-K89 PolarHBondContact O-N 3.29Å; K89-F91 VanDerWaalsContact C-N 3.28Å; K89-F91 PolarHBondContact O-N 3.3Å
90	G	81.7	Confident	78.3	Confident	42 Å²	42	62.9 Å²	62.9	43%	0.433	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-11	-179.8	0	0	0	0	0	115.4	S88 R94	S88-G90 PolarHBondContact O-N 3.17Å; G90-R94 WeakPolarHBondContact O-CG 3.37Å; G90-R94 PolarHBondContact O-N 2.9Å
91	F	84	Confident	79.3	Confident	25 Å²	25	62.7 Å²	62.7	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-41.7	175.8	-67.7	-27	0	0	0	112.5	I65 F68 A87 S88 K89 A93 R94 I95 Y107	I65-F91 HydrophobicContact CG1-CD1 3.9Å; I65-F91 HydrophobicContact CG1-CE1 4.32Å; I65-F91 HydrophobicContact CG1-CG 4.3Å; F68-F91 HydrophobicContact CB-CE2 4.09Å; F68-F91 HydrophobicContact CB-CZ 4.2Å; F68-F91 AromaticContact CD1-CD2 3.93Å; F68-F91 HydrophobicContact CD1-CD2 3.93Å; F68-F91 AromaticContact CD1-CE2 3.37Å; F68-F91 HydrophobicContact CD1-CE2 3.37Å; F68-F91 HydrophobicContact CD1-CZ 4.28Å; F68-F91 AromaticContact CD2-CE2 3.59Å; F68-F91 HydrophobicContact CD2-CE2 3.59Å; F68-F91 AromaticContact CD2-CZ 3.89Å; F68-F91 HydrophobicContact CD2-CZ 3.89Å; F68-F91 AromaticContact CE1-CD2 3.96Å; F68-F91 HydrophobicContact CE1-CD2 3.96Å; F68-F91 AromaticContact CE1-CE2 3.51Å; F68-F91 HydrophobicContact CE1-CE2 3.51Å; F68-F91 AromaticContact CE2-CE2 3.72Å; F68-F91 HydrophobicContact CE2-CE2 3.72Å; F68-F91 HydrophobicContact CE2-CZ 4.29Å; F68-F91 HydrophobicContact CG-CD2 4.36Å; F68-F91 AromaticContact CG-CE2 3.4Å; F68-F91 HydrophobicContact CG-CE2 3.4Å; F68-F91 VanDerWaalsContact CG-CE2 3.4Å; F68-F91 AromaticContact CG-CZ 3.88Å; F68-F91 HydrophobicContact CG-CZ 3.88Å; F68-F91 HydrophobicContact CZ-CD2 4.42Å; F68-F91 AromaticContact CZ-CE2 3.68Å; F68-F91 HydrophobicContact CZ-CE2 3.68Å; A87-F91 VanDerWaalsContact O-CE2 3.28Å; A87-F91 WeakPolarHBondContact O-CE2 3.22Å; S88-F91 WeakPolarHBondContact O-CB 3.43Å; S88-F91 PolarHBondContact O-N 3.05Å; S88-F91 VanDerWaalsContact O-N 3.13Å; K89-F91 VanDerWaalsContact C-N 3.28Å; K89-F91 PolarHBondContact O-N 3.3Å; F91-A93 PolarHBondContact O-N 2.87Å; F91-R94 PolarHBondContact O-N 2.94Å; F91-R94 VanDerWaalsContact O-N 3.08Å; F91-I95 HydrophobicContact CB-CD1 4.42Å; F91-I95 VanDerWaalsContact O-CG1 3.26Å; F91-I95 WeakPolarHBondContact O-CG1 3.25Å; F91-I95 PolarHBondContact O-N 3.08Å; F91-Y107 HydrophobicContact CB-CD2 4.34Å; F91-Y107 HydrophobicContact CB-CE2 3.83Å
92	W	88.7	Confident	79.9	Confident	36 Å²	36	62.5 Å²	62.5	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-54.4	-50	179.1	-174.9	-122.9	0	0	0	112.5	R94 I95 L96 V104 Y107 L108 V123 D126 M127	W92-R94 VanDerWaalsContact C-N 3.3Å; W92-R94 PolarHBondContact O-N 3.37Å; W92-I95 PolarHBondContact O-N 3.14Å; W92-L96 HydrophobicContact CD2-CD1 4.16Å; W92-L96 HydrophobicContact CD2-CG 4.23Å; W92-L96 HydrophobicContact CG-CD1 4.36Å; W92-L96 HydrophobicContact CH2-CD2 4.01Å; W92-L96 HydrophobicContact CZ2-CD1 3.97Å; W92-L96 HydrophobicContact CZ2-CD2 3.87Å; W92-L96 HydrophobicContact CZ2-CG 4.15Å; W92-L96 HydrophobicContact CZ3-CD2 4.49Å; W92-L96 WeakPolarHBondContact O-CG 3.34Å; W92-L96 PolarHBondContact O-N 3.26Å; W92-V104 HydrophobicContact CH2-CG1 3.93Å; W92-V104 HydrophobicContact CZ3-CG1 4.01Å; W92-V104 HydrophobicContact CZ3-CG2 4.38Å; W92-Y107 HydrophobicContact CB-CE1 3.94Å; W92-Y107 HydrophobicContact CD2-CD1 4.4Å; W92-Y107 HydrophobicContact CD2-CE1 4.08Å; W92-Y107 AromaticContact CE3-CD1 3.41Å; W92-Y107 HydrophobicContact CE3-CD1 3.41Å; W92-Y107 VanDerWaalsContact CE3-CD1 3.41Å; W92-Y107 AromaticContact CE3-CE1 3.52Å; W92-Y107 HydrophobicContact CE3-CE1 3.52Å; W92-Y107 HydrophobicContact CE3-CG 4.41Å; W92-Y107 HydrophobicContact CG-CE1 4.29Å; W92-Y107 AromaticContact CZ3-CD1 3.88Å; W92-Y107 HydrophobicContact CZ3-CD1 3.88Å; W92-Y107 HydrophobicContact CZ3-CE1 4.35Å; W92-L108 HydrophobicContact CH2-CD2 4.15Å; W92-L108 HydrophobicContact CH2-CG 4.46Å; W92-L108 HydrophobicContact CZ3-CD2 4.07Å; W92-L108 HydrophobicContact CZ3-CG 4.27Å; W92-V123 HydrophobicContact CH2-CG1 3.94Å; W92-V123 HydrophobicContact CZ2-CB 4.33Å; W92-V123 HydrophobicContact CZ2-CG1 3.94Å; W92-V123 HydrophobicContact CZ2-CG2 4.14Å; W92-D126 HydrophobicContact CZ2-CB 4.33Å; W92-D126 PolarHBondContact NE1-OD2 3.21Å; W92-M127 HydrophobicContact CH2-CG 4.16Å; W92-M127 HydrophobicContact CH2-SD 4.45Å; W92-M127 HydrophobicContact CZ2-CG 4.2Å
93	A	87.2	Confident	80.4	Confident	66 Å²	66	55.4 Å²	55.4	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-38	177.5	0	0	0	0	0	112.9	F91 K97	F91-A93 PolarHBondContact O-N 2.87Å; A93-K97 WeakPolarHBondContact O-CB 3.33Å; A93-K97 PolarHBondContact O-N 2.99Å
94	R	83.6	Confident	81.4	Confident	111 Å²	111	53.3 Å²	53.3	42%	0.419	29%	0.286	S	S	.	.	H	α-helix	trans	-71.7	-37.2	178	-67.6	170.9	69.5	-179.4	7.6	112.5	I65 G90 F91 W92 K97 A98	I65-R94 HydrophobicContact CD1-CB 4.26Å; G90-R94 WeakPolarHBondContact O-CG 3.37Å; G90-R94 PolarHBondContact O-N 2.9Å; F91-R94 PolarHBondContact O-N 2.94Å; F91-R94 VanDerWaalsContact O-N 3.08Å; W92-R94 VanDerWaalsContact C-N 3.3Å; W92-R94 PolarHBondContact O-N 3.37Å; R94-K97 PolarHBondContact O-N 3.44Å; R94-A98 PolarHBondContact O-N 3.47Å
95	I	85.2	Confident	82.1	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.2	-47.8	177.3	-69.5	167.6	0	0	0	109.8	I65 F91 W92 K97 A98 G99 L103 V104 Y107	I65-I95 HydrophobicContact CD1-CG1 3.88Å; I65-I95 HydrophobicContact CG2-CD1 4.16Å; I65-I95 HydrophobicContact CG2-CG1 4.36Å; F91-I95 HydrophobicContact CB-CD1 4.42Å; F91-I95 VanDerWaalsContact O-CG1 3.26Å; F91-I95 WeakPolarHBondContact O-CG1 3.25Å; F91-I95 PolarHBondContact O-N 3.08Å; W92-I95 PolarHBondContact O-N 3.14Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.13Å; I95-A98 WeakPolarHBondContact O-CB 3.23Å; I95-A98 PolarHBondContact O-N 3.44Å; I95-A98 VanDerWaalsContact O-N 3.11Å; I95-G99 PolarHBondContact O-N 3.01Å; I95-G99 VanDerWaalsContact O-N 3.14Å; I95-L103 HydrophobicContact CG1-CB 4.47Å; I95-L103 HydrophobicContact CG2-CB 3.9Å; I95-V104 HydrophobicContact CG2-CB 4.38Å; I95-V104 HydrophobicContact CG2-CG2 3.6Å; I95-Y107 HydrophobicContact CD1-CD1 4.32Å; I95-Y107 HydrophobicContact CD1-CD2 3.65Å; I95-Y107 HydrophobicContact CD1-CE2 4.45Å; I95-Y107 HydrophobicContact CD1-CG 3.57Å
96	L	88.5	Confident	82.3	Confident	19 Å²	19	54.6 Å²	54.6	10%	0.099	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-43	176.4	-68	177.3	0	0	0	111.6	W92 A98 G99 V104 D126 M127 A130 L132	W92-L96 HydrophobicContact CD2-CD1 4.16Å; W92-L96 HydrophobicContact CD2-CG 4.23Å; W92-L96 HydrophobicContact CG-CD1 4.36Å; W92-L96 HydrophobicContact CH2-CD2 4.01Å; W92-L96 HydrophobicContact CZ2-CD1 3.97Å; W92-L96 HydrophobicContact CZ2-CD2 3.87Å; W92-L96 HydrophobicContact CZ2-CG 4.15Å; W92-L96 HydrophobicContact CZ3-CD2 4.49Å; W92-L96 WeakPolarHBondContact O-CG 3.34Å; W92-L96 PolarHBondContact O-N 3.26Å; L96-A98 VanDerWaalsContact C-N 3.25Å; L96-A98 PolarHBondContact O-N 3.04Å; L96-G99 PolarHBondContact O-N 3.21Å; L96-G99 VanDerWaalsContact O-N 3.07Å; L96-V104 HydrophobicContact CD2-CG2 4.4Å; L96-D126 HydrophobicContact CD1-CB 3.69Å; L96-M127 HydrophobicContact CD2-CG 3.93Å; L96-A130 HydrophobicContact CB-CB 4.06Å; L96-A130 HydrophobicContact CD2-CB 4.37Å; L96-L132 HydrophobicContact CD2-CD1 3.93Å
97	K	85.4	Confident	82.6	Confident	182 Å²	182	49.2 Å²	49.2	79%	0.791	26%	0.262	S	S	*	.	H	α-helix	trans	-61.8	-31.3	175.2	-173.7	174.2	-178.2	179.6	0	113.3	A93 R94 I95 G99	A93-K97 WeakPolarHBondContact O-CB 3.33Å; A93-K97 PolarHBondContact O-N 2.99Å; R94-K97 PolarHBondContact O-N 3.44Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.13Å; K97-G99 VanDerWaalsContact C-N 3.34Å
98	A	83	Confident	83.6	Confident	30 Å²	30	47.6 Å²	47.6	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-76.7	-21.5	176.3	0	0	0	0	0	113	L62 R94 I95 L96 D100	L62-A98 HydrophobicContact CD1-CB 4.45Å; L62-A98 HydrophobicContact CD2-CB 3.77Å; R94-A98 PolarHBondContact O-N 3.47Å; I95-A98 WeakPolarHBondContact O-CB 3.23Å; I95-A98 PolarHBondContact O-N 3.44Å; I95-A98 VanDerWaalsContact O-N 3.11Å; L96-A98 VanDerWaalsContact C-N 3.25Å; L96-A98 PolarHBondContact O-N 3.04Å; A98-D100 VanDerWaalsContact C-N 3.25Å; A98-D100 PolarHBondContact O-N 3.32Å
99	G	83	Confident	83.9	Confident	37 Å²	37	49.1 Å²	49.1	38%	0.381	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	16.2	178.2	0	0	0	0	0	115.1	I95 L96 K97	I95-G99 PolarHBondContact O-N 3.01Å; I95-G99 VanDerWaalsContact O-N 3.14Å; L96-G99 PolarHBondContact O-N 3.21Å; L96-G99 VanDerWaalsContact O-N 3.07Å; K97-G99 VanDerWaalsContact C-N 3.34Å
100	D	82.1	Confident	83.9	Confident	36 Å²	36	42.8 Å²	42.8	19%	0.193	23%	0.229	C	C	.	.			trans	-90.8	107.6	-176	-176.8	-14.5	0	0	0	111.2	A98 D102 L103 V104	A98-D100 VanDerWaalsContact C-N 3.25Å; A98-D100 PolarHBondContact O-N 3.32Å; D100-D102 VanDerWaalsContact C-N 3.31Å; D100-D102 PolarHBondContact O-N 3.29Å; D100-D102 WeakPolarHBondContact OD1-CB 3.41Å; D100-D102 PolarHBondContact OD1-N 3.36Å; D100-L103 HydrophobicContact CB-CB 4.12Å; D100-L103 HydrophobicContact CB-CD1 3.89Å; D100-L103 HydrophobicContact CB-CG 4.18Å; D100-L103 PolarHBondContact O-N 2.98Å; D100-L103 VanDerWaalsContact O-N 3.16Å; D100-L103 PolarHBondContact OD1-N 3.26Å; D100-L103 WeakPolarHBondContact OD2-CD1 3.45Å; D100-L103 WeakPolarHBondContact OD2-CG 3.44Å; D100-V104 PolarHBondContact O-N 2.9Å; D100-V104 VanDerWaalsContact O-N 3.09Å
101	M	84.8	Confident	84.1	Confident	48 Å²	48	42.1 Å²	42.1	24%	0.236	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-33.3	179.8	-71.4	-61.7	-66.2	0	0	113.3	L103 V104 E105 M127 L132 T133 N135	M101-L103 VanDerWaalsContact C-N 3.26Å; M101-L103 PolarHBondContact O-N 2.72Å; M101-V104 PolarHBondContact O-N 3.27Å; M101-E105 PolarHBondContact O-N 3Å; M101-M127 HydrophobicContact CE-CE 3.73Å; M101-M127 HydrophobicContact SD-CE 3.92Å; M101-L132 HydrophobicContact SD-CB 4.16Å; M101-L132 HydrophobicContact SD-CD1 4.39Å; M101-L132 HydrophobicContact SD-CD2 4.24Å; M101-T133 VanDerWaalsContact CE-O 3.3Å; M101-T133 WeakPolarHBondContact CE-O 3.14Å; M101-N135 HydrophobicContact CE-CB 4.31Å
102	D	79.2	Confident	84.1	Confident	63 Å²	63	41.1 Å²	41.1	34%	0.337	21%	0.209	S	C	.	.	H	α-helix	trans	-68.6	-29.9	177.9	-74.7	-20.3	0	0	0	111	D100 R106	D100-D102 VanDerWaalsContact C-N 3.31Å; D100-D102 PolarHBondContact O-N 3.29Å; D100-D102 WeakPolarHBondContact OD1-CB 3.41Å; D100-D102 PolarHBondContact OD1-N 3.36Å; D102-R106 WeakPolarHBondContact O-CB 3.44Å; D102-R106 VanDerWaalsContact O-CG 3.25Å; D102-R106 WeakPolarHBondContact O-CG 3.47Å; D102-R106 PolarHBondContact O-N 3.46Å; D102-R106 VanDerWaalsContact O-N 3.13Å; D102-R106 PolarHBondContact O-NE 3.39Å
103	L	80.7	Confident	83.4	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-77.5	-37.5	174.8	-75.7	174	0	0	0	112.5	L62 I65 L69 I95 D100 M101 E105 R106 Y107	L62-L103 HydrophobicContact CD2-CD1 3.32Å; L62-L103 HydrophobicContact CG-CD1 4.46Å; I65-L103 HydrophobicContact CG2-CD2 4.31Å; L69-L103 HydrophobicContact CD1-CD2 4.45Å; I95-L103 HydrophobicContact CG1-CB 4.47Å; I95-L103 HydrophobicContact CG2-CB 3.9Å; D100-L103 HydrophobicContact CB-CB 4.12Å; D100-L103 HydrophobicContact CB-CD1 3.89Å; D100-L103 HydrophobicContact CB-CG 4.18Å; D100-L103 PolarHBondContact O-N 2.98Å; D100-L103 VanDerWaalsContact O-N 3.16Å; D100-L103 PolarHBondContact OD1-N 3.26Å; D100-L103 WeakPolarHBondContact OD2-CD1 3.45Å; D100-L103 WeakPolarHBondContact OD2-CG 3.44Å; M101-L103 VanDerWaalsContact C-N 3.26Å; M101-L103 PolarHBondContact O-N 2.72Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-R106 PolarHBondContact O-N 3.09Å; L103-Y107 WeakPolarHBondContact O-CB 3.31Å; L103-Y107 PolarHBondContact O-N 3.09Å
104	V	85.7	Confident	82.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.2	-51.7	170.6	169.7	0	0	0	0	109.5	W92 I95 L96 D100 M101 R106 Y107 L108 M127 L132	W92-V104 HydrophobicContact CH2-CG1 3.93Å; W92-V104 HydrophobicContact CZ3-CG1 4.01Å; W92-V104 HydrophobicContact CZ3-CG2 4.38Å; I95-V104 HydrophobicContact CG2-CB 4.38Å; I95-V104 HydrophobicContact CG2-CG2 3.6Å; L96-V104 HydrophobicContact CD2-CG2 4.4Å; D100-V104 PolarHBondContact O-N 2.9Å; D100-V104 VanDerWaalsContact O-N 3.09Å; M101-V104 PolarHBondContact O-N 3.27Å; V104-R106 PolarHBondContact O-N 3.01Å; V104-Y107 PolarHBondContact O-N 2.88Å; V104-L108 HydrophobicContact CG1-CD1 3.92Å; V104-L108 HydrophobicContact CG1-CG 4.41Å; V104-L108 VanDerWaalsContact O-CG 3.32Å; V104-L108 WeakPolarHBondContact O-CG 3.47Å; V104-L108 PolarHBondContact O-N 2.92Å; V104-M127 HydrophobicContact CG1-CE 4.02Å; V104-M127 HydrophobicContact CG1-SD 3.91Å; V104-L132 HydrophobicContact CG2-CD1 4.32Å
105	E	83.9	Confident	82.3	Confident	39 Å²	39	35 Å²	35	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-49.5	-179.1	-132.5	-173.4	114.7	0	0	112.5	M101 L103 Y107 L108 N109 W137	M101-E105 PolarHBondContact O-N 3Å; L103-E105 VanDerWaalsContact C-N 3.31Å; E105-Y107 VanDerWaalsContact C-N 3.31Å; E105-Y107 PolarHBondContact O-N 3.31Å; E105-L108 PolarHBondContact O-N 3.48Å; E105-N109 WeakPolarHBondContact O-CB 3.29Å; E105-N109 PolarHBondContact O-N 3.04Å; E105-W137 HydrophobicContact CG-CB 3.41Å; E105-W137 VanDerWaalsContact CG-CB 3.41Å; E105-W137 HydrophobicContact CG-CG 4.2Å; E105-W137 WeakPolarHBondContact OE1-CB 3.22Å; E105-W137 WeakPolarHBondContact OE2-CB 3.36Å
106	R	80.3	Confident	82.1	Confident	96 Å²	96	35.3 Å²	35.3	36%	0.362	19%	0.188	S	C	.	.	H	α-helix	trans	-61.9	-39.4	178.8	-78	-177.6	-79.8	174.7	-9.8	112.3	D66 L69 D102 L103 V104 M110	D66-R106 IonicContact OD1-NH1 3.37Å; D66-R106 PolarHBondContact OD1-NH1 3.2Å; L69-R106 HydrophobicContact CD1-CB 4.03Å; D102-R106 WeakPolarHBondContact O-CB 3.44Å; D102-R106 VanDerWaalsContact O-CG 3.25Å; D102-R106 WeakPolarHBondContact O-CG 3.47Å; D102-R106 PolarHBondContact O-N 3.46Å; D102-R106 VanDerWaalsContact O-N 3.13Å; D102-R106 PolarHBondContact O-NE 3.39Å; L103-R106 PolarHBondContact O-N 3.09Å; V104-R106 PolarHBondContact O-N 3.01Å; R106-M110 WeakPolarHBondContact O-CB 3.41Å; R106-M110 PolarHBondContact O-N 3.42Å
107	Y	84.6	Confident	81.9	Confident	11 Å²	11	44.1 Å²	44.1	4%	0.043	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-45.8	179.4	177.7	-97.2	0	0	0	112.2	F91 W92 I95 L103 V104 E105 M110 R111	F91-Y107 HydrophobicContact CB-CD2 4.34Å; F91-Y107 HydrophobicContact CB-CE2 3.83Å; W92-Y107 HydrophobicContact CB-CE1 3.94Å; W92-Y107 HydrophobicContact CD2-CD1 4.4Å; W92-Y107 HydrophobicContact CD2-CE1 4.08Å; W92-Y107 AromaticContact CE3-CD1 3.41Å; W92-Y107 HydrophobicContact CE3-CD1 3.41Å; W92-Y107 VanDerWaalsContact CE3-CD1 3.41Å; W92-Y107 AromaticContact CE3-CE1 3.52Å; W92-Y107 HydrophobicContact CE3-CE1 3.52Å; W92-Y107 HydrophobicContact CE3-CG 4.41Å; W92-Y107 HydrophobicContact CG-CE1 4.29Å; W92-Y107 AromaticContact CZ3-CD1 3.88Å; W92-Y107 HydrophobicContact CZ3-CD1 3.88Å; W92-Y107 HydrophobicContact CZ3-CE1 4.35Å; I95-Y107 HydrophobicContact CD1-CD1 4.32Å; I95-Y107 HydrophobicContact CD1-CD2 3.65Å; I95-Y107 HydrophobicContact CD1-CE2 4.45Å; I95-Y107 HydrophobicContact CD1-CG 3.57Å; L103-Y107 WeakPolarHBondContact O-CB 3.31Å; L103-Y107 PolarHBondContact O-N 3.09Å; V104-Y107 PolarHBondContact O-N 2.88Å; E105-Y107 VanDerWaalsContact C-N 3.31Å; E105-Y107 PolarHBondContact O-N 3.31Å; Y107-M110 HydrophobicContact CD2-CE 3.56Å; Y107-M110 HydrophobicContact CE2-CE 3.73Å; Y107-M110 HydrophobicContact CG-CE 4.38Å; Y107-M110 PolarHBondContact O-N 3.4Å; Y107-R111 HydrophobicContact CD1-CG 4.44Å; Y107-R111 VanDerWaalsContact CE1-CD 3.42Å; Y107-R111 HydrophobicContact CE1-CG 4.06Å; Y107-R111 PolarHBondContact O-N 3.11Å; Y107-R111 PolarHBondContact OH-NH1 2.9Å
108	L	88.6	Confident	82	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-47.8	177.2	-67.6	177.5	0	0	0	111.1	W92 V104 E105 M110 R111 V112 V118 V123 T138	W92-L108 HydrophobicContact CH2-CD2 4.15Å; W92-L108 HydrophobicContact CH2-CG 4.46Å; W92-L108 HydrophobicContact CZ3-CD2 4.07Å; W92-L108 HydrophobicContact CZ3-CG 4.27Å; V104-L108 HydrophobicContact CG1-CD1 3.92Å; V104-L108 HydrophobicContact CG1-CG 4.41Å; V104-L108 VanDerWaalsContact O-CG 3.32Å; V104-L108 WeakPolarHBondContact O-CG 3.47Å; V104-L108 PolarHBondContact O-N 2.92Å; E105-L108 PolarHBondContact O-N 3.48Å; L108-M110 VanDerWaalsContact C-N 3.3Å; L108-M110 PolarHBondContact O-N 3.27Å; L108-R111 PolarHBondContact O-N 3.37Å; L108-V112 WeakPolarHBondContact O-CG2 3.42Å; L108-V112 PolarHBondContact O-N 3.21Å; L108-V118 HydrophobicContact CD2-CG1 3.83Å; L108-V123 HydrophobicContact CD1-CG1 3.99Å; L108-V123 HydrophobicContact CD2-CG1 4.14Å; L108-V123 HydrophobicContact CD2-CG2 3.89Å; L108-T138 HydrophobicContact CD1-CG2 4.01Å
109	N	82	Confident	82.4	Confident	35 Å²	35	37.8 Å²	37.8	19%	0.187	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-39.6	177.3	-168.5	18.8	0	0	0	112	E105 V112 K113 H144	E105-N109 WeakPolarHBondContact O-CB 3.29Å; E105-N109 PolarHBondContact O-N 3.04Å; N109-V112 PolarHBondContact O-N 3.03Å; N109-K113 WeakPolarHBondContact O-CB 3.36Å; N109-K113 WeakPolarHBondContact O-CG 3.47Å; N109-K113 PolarHBondContact O-N 3.48Å; N109-K113 WeakPolarHBondContact OD1-CE 3.49Å; N109-H144 PolarHBondContact OD1-ND1 3.48Å
110	M	80.7	Confident	82.8	Confident	16 Å²	16	36.5 Å²	36.5	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-46.1	174.5	176.2	-82	-62.1	0	0	111.8	F68 L69 Q72 R106 Y107 L108 V112 K113 L114	F68-M110 HydrophobicContact CE1-CE 4.25Å; L69-M110 HydrophobicContact CD2-CB 3.8Å; L69-M110 HydrophobicContact CD2-CE 3.86Å; L69-M110 HydrophobicContact CD2-CG 3.72Å; Q72-M110 HydrophobicContact CB-CG 4.45Å; Q72-M110 HydrophobicContact CG-CG 3.93Å; Q72-M110 HydrophobicContact CG-SD 4.21Å; R106-M110 WeakPolarHBondContact O-CB 3.41Å; R106-M110 PolarHBondContact O-N 3.42Å; Y107-M110 HydrophobicContact CD2-CE 3.56Å; Y107-M110 HydrophobicContact CE2-CE 3.73Å; Y107-M110 HydrophobicContact CG-CE 4.38Å; Y107-M110 PolarHBondContact O-N 3.4Å; L108-M110 VanDerWaalsContact C-N 3.3Å; L108-M110 PolarHBondContact O-N 3.27Å; M110-V112 VanDerWaalsContact C-N 3.35Å; M110-V112 PolarHBondContact O-N 3.43Å; M110-K113 PolarHBondContact O-N 3.35Å; M110-L114 HydrophobicContact CG-CD1 4.29Å; M110-L114 WeakPolarHBondContact O-CG 3.3Å; M110-L114 PolarHBondContact O-N 2.96Å; M110-L114 HydrophobicContact SD-CD1 3.24Å; M110-L114 WeakPolarHBondContact SD-CD1 3.41Å; M110-L114 HydrophobicContact SD-CG 3.95Å
111	R	85	Confident	83.2	Confident	29 Å²	29	42.1 Å²	42.1	11%	0.109	20%	0.2	C	C	.	.	H	α-helix	trans	-57.1	-48.7	176.8	-75.9	-172	68.5	87.7	-3.3	111.4	E85 Y107 L108 K113 L114 G115 L116 R117 V118	E85-R111 IonicContact OE1-NH2 3.25Å; Y107-R111 HydrophobicContact CD1-CG 4.44Å; Y107-R111 VanDerWaalsContact CE1-CD 3.42Å; Y107-R111 HydrophobicContact CE1-CG 4.06Å; Y107-R111 PolarHBondContact O-N 3.11Å; Y107-R111 PolarHBondContact OH-NH1 2.9Å; L108-R111 PolarHBondContact O-N 3.37Å; R111-K113 VanDerWaalsContact C-N 3.34Å; R111-K113 PolarHBondContact O-N 2.86Å; R111-L114 CarbonylContact O-C 3.57Å; R111-L114 PolarHBondContact O-N 3.39Å; R111-L114 VanDerWaalsContact O-N 3.16Å; R111-G115 PolarHBondContact O-N 3.32Å; R111-L116 HydrophobicContact CB-CB 4.07Å; R111-L116 HydrophobicContact CG-CB 4.39Å; R111-L116 HydrophobicContact CG-CD1 4.29Å; R111-L116 WeakPolarHBondContact O-CB 3.42Å; R111-L116 PolarHBondContact O-N 2.97Å; R111-R117 PolarHBondContact NH2-O 3.34Å; R111-V118 HydrophobicContact CB-CG2 3.67Å
112	V	83.4	Confident	83.6	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-45	179.1	175.4	0	0	0	0	111.4	L108 N109 M110 L114 G115 V118 H144 Q145	L108-V112 WeakPolarHBondContact O-CG2 3.42Å; L108-V112 PolarHBondContact O-N 3.21Å; N109-V112 PolarHBondContact O-N 3.03Å; M110-V112 VanDerWaalsContact C-N 3.35Å; M110-V112 PolarHBondContact O-N 3.43Å; V112-L114 VanDerWaalsContact C-N 3.32Å; V112-L114 PolarHBondContact O-N 3.44Å; V112-G115 PolarHBondContact O-N 3.24Å; V112-V118 HydrophobicContact CG2-CG2 3.95Å; V112-H144 HydrophobicContact CG1-CB 4.23Å; V112-Q145 HydrophobicContact CG1-CB 4.03Å; V112-Q145 HydrophobicContact CG2-CB 3.92Å
113	K	74.1	Confident	84.3	Confident	29 Å²	29	43.2 Å²	43.2	13%	0.126	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-32.1	177.6	-73.3	-177.8	178	-172.2	0	113.7	S38 N109 M110 R111 G115	S38-K113 PolarHBondContact O-NZ 3.13Å; N109-K113 WeakPolarHBondContact O-CB 3.36Å; N109-K113 WeakPolarHBondContact O-CG 3.47Å; N109-K113 PolarHBondContact O-N 3.48Å; N109-K113 WeakPolarHBondContact OD1-CE 3.49Å; M110-K113 PolarHBondContact O-N 3.35Å; R111-K113 VanDerWaalsContact C-N 3.34Å; R111-K113 PolarHBondContact O-N 2.86Å; K113-G115 PolarHBondContact O-N 3.25Å
114	L	71.5	Confident	84.8	Confident	17 Å²	17	44.4 Å²	44.4	9%	0.089	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-3.3	172.1	-70.4	-176.4	0	0	0	113.4	I37 N84 M110 R111 V112 L116	I37-L114 HydrophobicContact CD1-CD2 3.39Å; I37-L114 HydrophobicContact CG1-CD2 4.33Å; N84-L114 HydrophobicContact CB-CD1 4.13Å; M110-L114 HydrophobicContact CG-CD1 4.29Å; M110-L114 WeakPolarHBondContact O-CG 3.3Å; M110-L114 PolarHBondContact O-N 2.96Å; M110-L114 HydrophobicContact SD-CD1 3.24Å; M110-L114 WeakPolarHBondContact SD-CD1 3.41Å; M110-L114 HydrophobicContact SD-CG 3.95Å; R111-L114 CarbonylContact O-C 3.57Å; R111-L114 PolarHBondContact O-N 3.39Å; R111-L114 VanDerWaalsContact O-N 3.16Å; V112-L114 VanDerWaalsContact C-N 3.32Å; V112-L114 PolarHBondContact O-N 3.44Å; L114-L116 HydrophobicContact CB-CD1 4.19Å; L114-L116 HydrophobicContact CB-CG 3.88Å; L114-L116 HydrophobicContact CD1-CD1 4.07Å; L114-L116 PolarHBondContact O-N 3.1Å
115	G	76.6	Confident	85.2	Confident	38 Å²	38	50.7 Å²	50.7	39%	0.392	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	12.8	-173.4	0	0	0	0	0	113.5	R111 V112 K113	R111-G115 PolarHBondContact O-N 3.32Å; V112-G115 PolarHBondContact O-N 3.24Å; K113-G115 PolarHBondContact O-N 3.25Å
116	L	81.4	Confident	85.6	Confident	7 Å²	7	50.6 Å²	50.6	4%	0.037	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-76.1	124.8	174.7	-60	178.8	0	0	0	109.1	C81 N84 E85 R111 L114 V118	C81-L116 HydrophobicContact CB-CD2 4.44Å; C81-L116 VanDerWaalsContact O-CD2 3.3Å; C81-L116 WeakPolarHBondContact O-CD2 3.17Å; N84-L116 HydrophobicContact CB-CD1 4.32Å; N84-L116 HydrophobicContact CB-CD2 4.29Å; E85-L116 HydrophobicContact CB-CD2 4.06Å; R111-L116 HydrophobicContact CB-CB 4.07Å; R111-L116 HydrophobicContact CG-CB 4.39Å; R111-L116 HydrophobicContact CG-CD1 4.29Å; R111-L116 WeakPolarHBondContact O-CB 3.42Å; R111-L116 PolarHBondContact O-N 2.97Å; L114-L116 HydrophobicContact CB-CD1 4.19Å; L114-L116 HydrophobicContact CB-CG 3.88Å; L114-L116 HydrophobicContact CD1-CD1 4.07Å; L114-L116 PolarHBondContact O-N 3.1Å; L116-V118 PolarHBondContact O-N 3.01Å
117	R	84.4	Confident	86.3	Confident	205 Å²	205	46 Å²	46	77%	0.774	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-60.6	126.7	178.1	-169.4	175.3	177.5	-179.6	-1.2	110.1	R111	R111-R117 PolarHBondContact NH2-O 3.34Å
118	V	87.8	Confident	86.7	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-101.9	125	167	-178.8	0	0	0	0	106.4	L108 R111 V112 L116 P120 V123 F142 Q145	L108-V118 HydrophobicContact CD2-CG1 3.83Å; R111-V118 HydrophobicContact CB-CG2 3.67Å; V112-V118 HydrophobicContact CG2-CG2 3.95Å; L116-V118 PolarHBondContact O-N 3.01Å; V118-P120 WeakPolarHBondContact O-CD 3.4Å; V118-V123 HydrophobicContact CG1-CG2 3.66Å; V118-F142 HydrophobicContact CG1-CD1 4.18Å; V118-F142 HydrophobicContact CG1-CE1 3.89Å; V118-Q145 VanDerWaalsContact CB-OE1 3.24Å; V118-Q145 PolarHBondContact O-NE2 2.89Å; V118-Q145 PolarHBondContact O-OE1 3.38Å
119	D	91.6	Very high	86.9	Confident	76 Å²	76	55.3 Å²	55.3	41%	0.406	27%	0.269	S	S	.	.			trans	-92.7	109.5	173.2	-179.5	-15	0	0	0	108.7	E121 K122 V123	D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 PolarHBondContact O-N 3.32Å; D119-E121 PolarHBondContact OD1-N 2.97Å; D119-E121 VanDerWaalsContact OD1-N 3.14Å; D119-K122 HydrophobicContact CB-CB 3.93Å; D119-K122 PolarHBondContact O-N 2.88Å; D119-K122 PolarHBondContact OD1-N 3.48Å; D119-V123 WeakPolarHBondContact O-CG2 3.39Å; D119-V123 PolarHBondContact O-N 3.41Å
120	P	90.8	Very high	87.3	Confident	9 Å²	9	55.8 Å²	55.8	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-35.2	-174.5	-30.3	44.5	0	0	0	114	V118 V123 I124 F142 Y158	V118-P120 WeakPolarHBondContact O-CD 3.4Å; P120-V123 PolarHBondContact O-N 3.3Å; P120-I124 WeakPolarHBondContact O-CB 3.25Å; P120-I124 WeakPolarHBondContact O-CD1 3.43Å; P120-I124 VanDerWaalsContact O-CG1 3.23Å; P120-I124 WeakPolarHBondContact O-CG1 3.39Å; P120-I124 PolarHBondContact O-N 3.36Å; P120-F142 HydrophobicContact CB-CB 4.49Å; P120-F142 HydrophobicContact CB-CD1 3.78Å; P120-F142 HydrophobicContact CB-CD2 3.72Å; P120-F142 HydrophobicContact CB-CE1 3.8Å; P120-F142 HydrophobicContact CB-CE2 3.73Å; P120-F142 HydrophobicContact CB-CG 3.74Å; P120-F142 HydrophobicContact CB-CZ 3.76Å; P120-F142 HydrophobicContact CG-CB 4.04Å; P120-F142 HydrophobicContact CG-CD1 3.55Å; P120-F142 HydrophobicContact CG-CD2 4.16Å; P120-F142 HydrophobicContact CG-CE1 3.96Å; P120-F142 HydrophobicContact CG-CG 3.65Å; P120-F142 HydrophobicContact CG-CZ 4.43Å; P120-Y158 HydrophobicContact CB-CE1 3.95Å; P120-Y158 HydrophobicContact CG-CE1 3.77Å; P120-Y158 HydrophobicContact CG-CE2 4.33Å; P120-Y158 WeakPolarHBondContact CG-OH 3.45Å
121	E	90.5	Very high	87.7	Confident	154 Å²	154	58.3 Å²	58.3	72%	0.72	31%	0.308	S	S	*	.	H	α-helix	trans	-66.5	-45.4	179.8	-66	-179.4	-176.3	0	0	110.2	D119 I124 K125	D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 PolarHBondContact O-N 3.32Å; D119-E121 PolarHBondContact OD1-N 2.97Å; D119-E121 VanDerWaalsContact OD1-N 3.14Å; E121-I124 PolarHBondContact O-N 2.93Å; E121-K125 WeakPolarHBondContact O-CB 3.38Å; E121-K125 PolarHBondContact O-N 2.98Å
122	K	92.8	Very high	88	Confident	124 Å²	124	58 Å²	58	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-44.4	175	-174.7	177.3	179.1	176.9	0	112	D119 K125 D126	D119-K122 HydrophobicContact CB-CB 3.93Å; D119-K122 PolarHBondContact O-N 2.88Å; D119-K122 PolarHBondContact OD1-N 3.48Å; K122-K125 PolarHBondContact O-N 3.34Å; K122-D126 WeakPolarHBondContact O-CB 3.4Å; K122-D126 PolarHBondContact O-N 3.34Å
123	V	93	Very high	88.3	Confident	10 Å²	10	63 Å²	63	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-46.1	179.5	167.2	0	0	0	0	111.4	W92 L108 V118 D119 P120 K125 D126 M127 T138 F142	W92-V123 HydrophobicContact CH2-CG1 3.94Å; W92-V123 HydrophobicContact CZ2-CB 4.33Å; W92-V123 HydrophobicContact CZ2-CG1 3.94Å; W92-V123 HydrophobicContact CZ2-CG2 4.14Å; L108-V123 HydrophobicContact CD1-CG1 3.99Å; L108-V123 HydrophobicContact CD2-CG1 4.14Å; L108-V123 HydrophobicContact CD2-CG2 3.89Å; V118-V123 HydrophobicContact CG1-CG2 3.66Å; D119-V123 WeakPolarHBondContact O-CG2 3.39Å; D119-V123 PolarHBondContact O-N 3.41Å; P120-V123 PolarHBondContact O-N 3.3Å; V123-K125 VanDerWaalsContact C-N 3.32Å; V123-K125 PolarHBondContact O-N 2.93Å; V123-D126 PolarHBondContact O-N 3.04Å; V123-M127 HydrophobicContact CG1-CG 4.42Å; V123-M127 HydrophobicContact CG1-SD 3.88Å; V123-M127 WeakPolarHBondContact O-CB 3.47Å; V123-M127 VanDerWaalsContact O-CG 3.24Å; V123-M127 WeakPolarHBondContact O-CG 3.46Å; V123-M127 PolarHBondContact O-N 2.74Å; V123-T138 HydrophobicContact CG1-CG2 4.29Å; V123-F142 HydrophobicContact CB-CE1 4.17Å; V123-F142 HydrophobicContact CB-CZ 4.04Å; V123-F142 HydrophobicContact CG1-CE1 4.09Å; V123-F142 HydrophobicContact CG1-CZ 3.83Å
124	I	92.4	Very high	89.1	Confident	30 Å²	30	62.5 Å²	62.5	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-44.7	178.1	-70	167	0	0	0	110.1	P120 E121 M127 N128 P134 Y139 F142 M161	P120-I124 WeakPolarHBondContact O-CB 3.25Å; P120-I124 WeakPolarHBondContact O-CD1 3.43Å; P120-I124 VanDerWaalsContact O-CG1 3.23Å; P120-I124 WeakPolarHBondContact O-CG1 3.39Å; P120-I124 PolarHBondContact O-N 3.36Å; E121-I124 PolarHBondContact O-N 2.93Å; I124-M127 PolarHBondContact O-N 3.19Å; I124-N128 WeakPolarHBondContact O-CB 3.42Å; I124-N128 PolarHBondContact O-N 3.09Å; I124-N128 PolarHBondContact O-ND2 3.07Å; I124-P134 HydrophobicContact CB-CG 4.44Å; I124-P134 HydrophobicContact CG1-CG 4.08Å; I124-P134 HydrophobicContact CG2-CG 4.2Å; I124-Y139 HydrophobicContact CD1-CE1 4.45Å; I124-F142 HydrophobicContact CD1-CE2 4.12Å; I124-F142 HydrophobicContact CG1-CE2 4.18Å; I124-F142 HydrophobicContact CG1-CZ 4.34Å; I124-M161 HydrophobicContact CD1-CE 3.97Å
125	K	93	Very high	90	Very high	132 Å²	132	63.6 Å²	63.6	57%	0.574	34%	0.344	S	S	*	.	H	α-helix	trans	-60.5	-53.9	176.6	-176	-178.6	176.6	-178	0	111.9	E121 K122 V123 M127 N128 D129	E121-K125 WeakPolarHBondContact O-CB 3.38Å; E121-K125 PolarHBondContact O-N 2.98Å; K122-K125 PolarHBondContact O-N 3.34Å; V123-K125 VanDerWaalsContact C-N 3.32Å; V123-K125 PolarHBondContact O-N 2.93Å; K125-M127 PolarHBondContact O-N 3.37Å; K125-N128 PolarHBondContact O-N 3.46Å; K125-N128 VanDerWaalsContact O-N 3.14Å; K125-D129 WeakPolarHBondContact O-CB 3.32Å; K125-D129 VanDerWaalsContact O-CG 3.27Å; K125-D129 PolarHBondContact O-N 2.91Å
126	D	93.6	Very high	90.6	Very high	38 Å²	38	62.6 Å²	62.6	20%	0.203	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-35.3	-178.3	-68	-10.8	0	0	0	111.8	W92 L96 K122 V123 A130	W92-D126 HydrophobicContact CZ2-CB 4.33Å; W92-D126 PolarHBondContact NE1-OD2 3.21Å; L96-D126 HydrophobicContact CD1-CB 3.69Å; K122-D126 WeakPolarHBondContact O-CB 3.4Å; K122-D126 PolarHBondContact O-N 3.34Å; V123-D126 PolarHBondContact O-N 3.04Å; D126-A130 WeakPolarHBondContact O-CB 3.49Å; D126-A130 PolarHBondContact O-N 3.31Å
127	M	94	Very high	90.9	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-47.4	174.6	-74.7	-180	69.1	0	0	111.8	W92 L96 M101 V104 V123 I124 K125 D129 A130 G131 L132 P134 T138	W92-M127 HydrophobicContact CH2-CG 4.16Å; W92-M127 HydrophobicContact CH2-SD 4.45Å; W92-M127 HydrophobicContact CZ2-CG 4.2Å; L96-M127 HydrophobicContact CD2-CG 3.93Å; M101-M127 HydrophobicContact CE-CE 3.73Å; M101-M127 HydrophobicContact SD-CE 3.92Å; V104-M127 HydrophobicContact CG1-CE 4.02Å; V104-M127 HydrophobicContact CG1-SD 3.91Å; V123-M127 HydrophobicContact CG1-CG 4.42Å; V123-M127 HydrophobicContact CG1-SD 3.88Å; V123-M127 WeakPolarHBondContact O-CB 3.47Å; V123-M127 VanDerWaalsContact O-CG 3.24Å; V123-M127 WeakPolarHBondContact O-CG 3.46Å; V123-M127 PolarHBondContact O-N 2.74Å; I124-M127 PolarHBondContact O-N 3.19Å; K125-M127 PolarHBondContact O-N 3.37Å; M127-D129 VanDerWaalsContact C-N 3.34Å; M127-D129 PolarHBondContact O-N 3.09Å; M127-A130 CarbonylContact O-C 3.55Å; M127-A130 PolarHBondContact O-N 3.47Å; M127-A130 VanDerWaalsContact O-N 3.12Å; M127-G131 PolarHBondContact O-N 3.07Å; M127-L132 CarbonylContact C-O 3.6Å; M127-L132 VanDerWaalsContact C-O 3.28Å; M127-L132 HydrophobicContact CB-CB 4.22Å; M127-L132 HydrophobicContact CE-CB 4.26Å; M127-L132 WeakPolarHBondContact O-CA 3.32Å; M127-L132 WeakPolarHBondContact O-CB 3.36Å; M127-L132 PolarHBondContact O-N 3.25Å; M127-L132 VanDerWaalsContact O-O 3.1Å; M127-P134 HydrophobicContact CE-CG 4.47Å; M127-P134 HydrophobicContact SD-CG 4.47Å; M127-T138 HydrophobicContact SD-CG2 3.92Å
128	N	93.2	Very high	91.2	Very high	86 Å²	86	57.3 Å²	57.3	46%	0.46	31%	0.312	S	S	.	.	H	α-helix	trans	-62.1	-42.3	178.2	-70.1	-22.7	0	0	0	111.5	I124 K125 A130 G131 L132	I124-N128 WeakPolarHBondContact O-CB 3.42Å; I124-N128 PolarHBondContact O-N 3.09Å; I124-N128 PolarHBondContact O-ND2 3.07Å; K125-N128 PolarHBondContact O-N 3.46Å; K125-N128 VanDerWaalsContact O-N 3.14Å; N128-A130 PolarHBondContact O-N 2.92Å; N128-G131 PolarHBondContact O-N 3.49Å; N128-L132 PolarHBondContact OD1-O 3.48Å
129	D	92.3	Very high	91.4	Very high	120 Å²	120	58.4 Å²	58.4	64%	0.642	32%	0.316	S	S	*	.	H	α-helix	trans	-62.2	-28.9	176.4	-70	-12	0	0	0	111.7	K125 M127 G131	K125-D129 WeakPolarHBondContact O-CB 3.32Å; K125-D129 VanDerWaalsContact O-CG 3.27Å; K125-D129 PolarHBondContact O-N 2.91Å; M127-D129 VanDerWaalsContact C-N 3.34Å; M127-D129 PolarHBondContact O-N 3.09Å; D129-G131 VanDerWaalsContact C-N 3.35Å
130	A	91.1	Very high	91.3	Very high	46 Å²	46	54.8 Å²	54.8	38%	0.38	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.7	173.7	0	0	0	0	0	114.1	L96 D126 M127 N128 L132	L96-A130 HydrophobicContact CB-CB 4.06Å; L96-A130 HydrophobicContact CD2-CB 4.37Å; D126-A130 WeakPolarHBondContact O-CB 3.49Å; D126-A130 PolarHBondContact O-N 3.31Å; M127-A130 CarbonylContact O-C 3.55Å; M127-A130 PolarHBondContact O-N 3.47Å; M127-A130 VanDerWaalsContact O-N 3.12Å; N128-A130 PolarHBondContact O-N 2.92Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 HydrophobicContact CB-CD1 4.5Å; A130-L132 HydrophobicContact CB-CG 4.45Å
131	G	90.1	Very high	91.3	Very high	68 Å²	68	54.6 Å²	54.6	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	18.1	-177.8	0	0	0	0	0	114.5	M127 N128 D129	M127-G131 PolarHBondContact O-N 3.07Å; N128-G131 PolarHBondContact O-N 3.49Å; D129-G131 VanDerWaalsContact C-N 3.35Å
132	L	91	Very high	91.4	Very high	22 Å²	22	47.3 Å²	47.3	12%	0.115	26%	0.262	C	S	.	.			trans	-101.1	145.4	177.1	-59.1	175.6	0	0	0	110.5	L96 M101 V104 M127 N128 A130	L96-L132 HydrophobicContact CD2-CD1 3.93Å; M101-L132 HydrophobicContact SD-CB 4.16Å; M101-L132 HydrophobicContact SD-CD1 4.39Å; M101-L132 HydrophobicContact SD-CD2 4.24Å; V104-L132 HydrophobicContact CG2-CD1 4.32Å; M127-L132 CarbonylContact C-O 3.6Å; M127-L132 VanDerWaalsContact C-O 3.28Å; M127-L132 HydrophobicContact CB-CB 4.22Å; M127-L132 HydrophobicContact CE-CB 4.26Å; M127-L132 WeakPolarHBondContact O-CA 3.32Å; M127-L132 WeakPolarHBondContact O-CB 3.36Å; M127-L132 PolarHBondContact O-N 3.25Å; M127-L132 VanDerWaalsContact O-O 3.1Å; N128-L132 PolarHBondContact OD1-O 3.48Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 HydrophobicContact CB-CD1 4.5Å; A130-L132 HydrophobicContact CB-CG 4.45Å
133	T	90.3	Very high	91.4	Very high	108 Å²	108	41.4 Å²	41.4	66%	0.663	24%	0.236	S	C	*	.			trans	-106.7	128.6	178.3	47.5	0	0	0	0	110.9	M101 N135	M101-T133 VanDerWaalsContact CE-O 3.3Å; M101-T133 WeakPolarHBondContact CE-O 3.14Å; T133-N135 PolarHBondContact O-N 3.23Å
134	P	90.9	Very high	91.3	Very high	20 Å²	20	41.8 Å²	41.8	13%	0.13	24%	0.237	C	C	.	.			trans	-56.8	133.3	173.5	-26	34.7	0	0	0	112	I124 M127 T138 Y139	I124-P134 HydrophobicContact CB-CG 4.44Å; I124-P134 HydrophobicContact CG1-CG 4.08Å; I124-P134 HydrophobicContact CG2-CG 4.2Å; M127-P134 HydrophobicContact CE-CG 4.47Å; M127-P134 HydrophobicContact SD-CG 4.47Å; P134-T138 HydrophobicContact CB-CG2 4.08Å; P134-Y139 HydrophobicContact CB-CE2 4.08Å
135	N	89.8	Confident	91.3	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	24%	0.236	C	C	.	.			trans	-108.6	178.6	178.5	71.4	14.2	0	0	0	111.1	M101 T133 W137 T138 Y139	M101-N135 HydrophobicContact CE-CB 4.31Å; T133-N135 PolarHBondContact O-N 3.23Å; N135-W137 PolarHBondContact O-N 3.49Å; N135-W137 VanDerWaalsContact O-N 3.1Å; N135-W137 WeakPolarHBondContact OD1-CA 3.34Å; N135-W137 WeakPolarHBondContact OD1-CB 3.47Å; N135-W137 PolarHBondContact OD1-N 3.32Å; N135-T138 PolarHBondContact N-OG1 3.44Å; N135-T138 WeakPolarHBondContact O-CB 3.13Å; N135-T138 PolarHBondContact O-N 2.92Å; N135-T138 VanDerWaalsContact O-N 3.08Å; N135-T138 PolarHBondContact OD1-N 3.47Å; N135-T138 PolarHBondContact OD1-OG1 3.2Å; N135-Y139 VanDerWaalsContact O-CD2 3.27Å; N135-Y139 WeakPolarHBondContact O-CD2 3.41Å; N135-Y139 PolarHBondContact O-N 3Å
136	A	89.4	Confident	91.3	Very high	17 Å²	17	35.3 Å²	35.3	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-54	-31.8	178.7	0	0	0	0	0	113.7	A140 F167	A136-A140 WeakPolarHBondContact O-CB 3.4Å; A136-A140 PolarHBondContact O-N 3.46Å; A136-F167 HydrophobicContact CB-CB 4.17Å; A136-F167 HydrophobicContact CB-CD1 3.93Å; A136-F167 HydrophobicContact CB-CG 3.97Å
137	W	87.2	Confident	91.2	Very high	101 Å²	101	33.5 Å²	33.5	38%	0.383	20%	0.199	S	C	.	.	H	α-helix	trans	-80.1	-29	180	-68.6	106.3	0	0	0	114	E105 N135 Y139 A140 S141 Y172	E105-W137 HydrophobicContact CG-CB 3.41Å; E105-W137 VanDerWaalsContact CG-CB 3.41Å; E105-W137 HydrophobicContact CG-CG 4.2Å; E105-W137 WeakPolarHBondContact OE1-CB 3.22Å; E105-W137 WeakPolarHBondContact OE2-CB 3.36Å; N135-W137 PolarHBondContact O-N 3.49Å; N135-W137 VanDerWaalsContact O-N 3.1Å; N135-W137 WeakPolarHBondContact OD1-CA 3.34Å; N135-W137 WeakPolarHBondContact OD1-CB 3.47Å; N135-W137 PolarHBondContact OD1-N 3.32Å; W137-Y139 VanDerWaalsContact C-N 3.35Å; W137-A140 HydrophobicContact CE3-CB 4.42Å; W137-A140 PolarHBondContact O-N 2.93Å; W137-S141 PolarHBondContact O-N 3.17Å; W137-S141 PolarHBondContact O-OG 2.93Å; W137-S141 VanDerWaalsContact O-OG 3.07Å; W137-Y172 HydrophobicContact CE3-CD1 4.29Å; W137-Y172 HydrophobicContact CH2-CG 4.36Å; W137-Y172 AromaticContact CZ3-CD1 3.77Å; W137-Y172 HydrophobicContact CZ3-CD1 3.77Å; W137-Y172 HydrophobicContact CZ3-CD2 4.39Å; W137-Y172 HydrophobicContact CZ3-CE1 4.35Å; W137-Y172 AromaticContact CZ3-CG 3.78Å; W137-Y172 HydrophobicContact CZ3-CG 3.78Å
138	T	90.5	Very high	90.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-51.4	167.8	-48.2	0	0	0	0	109.6	L108 V123 M127 P134 N135 A140 S141 F142	L108-T138 HydrophobicContact CD1-CG2 4.01Å; V123-T138 HydrophobicContact CG1-CG2 4.29Å; M127-T138 HydrophobicContact SD-CG2 3.92Å; P134-T138 HydrophobicContact CB-CG2 4.08Å; N135-T138 PolarHBondContact N-OG1 3.44Å; N135-T138 WeakPolarHBondContact O-CB 3.13Å; N135-T138 PolarHBondContact O-N 2.92Å; N135-T138 VanDerWaalsContact O-N 3.08Å; N135-T138 PolarHBondContact OD1-N 3.47Å; N135-T138 PolarHBondContact OD1-OG1 3.2Å; T138-A140 VanDerWaalsContact C-N 3.35Å; T138-A140 PolarHBondContact O-N 3.12Å; T138-S141 WeakPolarHBondContact O-CB 3.49Å; T138-S141 PolarHBondContact O-N 3.34Å; T138-S141 VanDerWaalsContact O-N 3.15Å; T138-F142 HydrophobicContact CG2-CE1 4.49Å; T138-F142 HydrophobicContact CG2-CE2 4.02Å; T138-F142 HydrophobicContact CG2-CZ 3.72Å; T138-F142 PolarHBondContact O-N 2.56Å
139	Y	91.9	Very high	90.5	Very high	25 Å²	25	33.8 Å²	33.8	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-38.2	175.2	-69.2	-76.7	0	0	0	112.7	I124 P134 N135 W137 S141 F142 I143 M161 L162 A165 F167	I124-Y139 HydrophobicContact CD1-CE1 4.45Å; P134-Y139 HydrophobicContact CB-CE2 4.08Å; N135-Y139 VanDerWaalsContact O-CD2 3.27Å; N135-Y139 WeakPolarHBondContact O-CD2 3.41Å; N135-Y139 PolarHBondContact O-N 3Å; W137-Y139 VanDerWaalsContact C-N 3.35Å; Y139-S141 PolarHBondContact O-N 3.35Å; Y139-F142 HydrophobicContact CD1-CD2 4.15Å; Y139-F142 HydrophobicContact CD1-CE2 4.38Å; Y139-F142 PolarHBondContact O-N 3.04Å; Y139-F142 VanDerWaalsContact O-N 3.11Å; Y139-I143 WeakPolarHBondContact O-CG1 3.24Å; Y139-I143 PolarHBondContact O-N 3.15Å; Y139-M161 HydrophobicContact CD1-CB 4.26Å; Y139-M161 HydrophobicContact CE1-CB 3.96Å; Y139-M161 HydrophobicContact CE1-CE 4.3Å; Y139-L162 HydrophobicContact CG-CB 4.25Å; Y139-A165 HydrophobicContact CE2-CB 3.85Å; Y139-F167 HydrophobicContact CD2-CD2 4.07Å; Y139-F167 HydrophobicContact CD2-CE2 4.25Å; Y139-F167 HydrophobicContact CE2-CD2 4.1Å; Y139-F167 AromaticContact CE2-CE2 3.99Å; Y139-F167 HydrophobicContact CE2-CE2 3.99Å
140	A	90.6	Very high	90.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-30.4	175.2	0	0	0	0	0	112.8	A136 W137 T138 H144 Y172 I173	A136-A140 WeakPolarHBondContact O-CB 3.4Å; A136-A140 PolarHBondContact O-N 3.46Å; W137-A140 HydrophobicContact CE3-CB 4.42Å; W137-A140 PolarHBondContact O-N 2.93Å; T138-A140 VanDerWaalsContact C-N 3.35Å; T138-A140 PolarHBondContact O-N 3.12Å; A140-H144 VanDerWaalsContact O-CB 3.25Å; A140-H144 WeakPolarHBondContact O-CB 2.96Å; A140-H144 PolarHBondContact O-N 3.04Å; A140-Y172 HydrophobicContact CB-CD1 4.01Å; A140-Y172 HydrophobicContact CB-CE1 4.1Å; A140-I173 HydrophobicContact CB-CD1 4Å; A140-I173 HydrophobicContact CB-CG1 3.72Å
141	S	89.7	Confident	90.4	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-69.6	-38.3	175.1	-59.4	0	0	0	0	111.9	W137 T138 Y139 H144 Q145	W137-S141 PolarHBondContact O-N 3.17Å; W137-S141 PolarHBondContact O-OG 2.93Å; W137-S141 VanDerWaalsContact O-OG 3.07Å; T138-S141 WeakPolarHBondContact O-CB 3.49Å; T138-S141 PolarHBondContact O-N 3.34Å; T138-S141 VanDerWaalsContact O-N 3.15Å; Y139-S141 PolarHBondContact O-N 3.35Å; S141-H144 PolarHBondContact O-N 3.29Å; S141-Q145 PolarHBondContact O-N 2.89Å
142	F	93.4	Very high	90.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-43.6	175.2	-50.8	-32.6	0	0	0	111.5	V118 P120 V123 I124 T138 Y139 Q145 S146 Y158	V118-F142 HydrophobicContact CG1-CD1 4.18Å; V118-F142 HydrophobicContact CG1-CE1 3.89Å; P120-F142 HydrophobicContact CB-CB 4.49Å; P120-F142 HydrophobicContact CB-CD1 3.78Å; P120-F142 HydrophobicContact CB-CD2 3.72Å; P120-F142 HydrophobicContact CB-CE1 3.8Å; P120-F142 HydrophobicContact CB-CE2 3.73Å; P120-F142 HydrophobicContact CB-CG 3.74Å; P120-F142 HydrophobicContact CB-CZ 3.76Å; P120-F142 HydrophobicContact CG-CB 4.04Å; P120-F142 HydrophobicContact CG-CD1 3.55Å; P120-F142 HydrophobicContact CG-CD2 4.16Å; P120-F142 HydrophobicContact CG-CE1 3.96Å; P120-F142 HydrophobicContact CG-CG 3.65Å; P120-F142 HydrophobicContact CG-CZ 4.43Å; V123-F142 HydrophobicContact CB-CE1 4.17Å; V123-F142 HydrophobicContact CB-CZ 4.04Å; V123-F142 HydrophobicContact CG1-CE1 4.09Å; V123-F142 HydrophobicContact CG1-CZ 3.83Å; I124-F142 HydrophobicContact CD1-CE2 4.12Å; I124-F142 HydrophobicContact CG1-CE2 4.18Å; I124-F142 HydrophobicContact CG1-CZ 4.34Å; T138-F142 HydrophobicContact CG2-CE1 4.49Å; T138-F142 HydrophobicContact CG2-CE2 4.02Å; T138-F142 HydrophobicContact CG2-CZ 3.72Å; T138-F142 PolarHBondContact O-N 2.56Å; Y139-F142 HydrophobicContact CD1-CD2 4.15Å; Y139-F142 HydrophobicContact CD1-CE2 4.38Å; Y139-F142 PolarHBondContact O-N 3.04Å; Y139-F142 VanDerWaalsContact O-N 3.11Å; F142-Q145 WeakPolarHBondContact O-CB 3.44Å; F142-Q145 PolarHBondContact O-N 3.42Å; F142-S146 PolarHBondContact O-N 3.45Å; F142-S146 VanDerWaalsContact O-N 3.17Å; F142-S146 PolarHBondContact O-OG 3.39Å; F142-Y158 HydrophobicContact CB-CD1 4.12Å; F142-Y158 HydrophobicContact CB-CD2 3.82Å; F142-Y158 HydrophobicContact CB-CE1 4.42Å; F142-Y158 HydrophobicContact CB-CE2 4.08Å; F142-Y158 HydrophobicContact CB-CG 3.87Å
143	I	93.1	Very high	90.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-45.7	174.4	-68.2	163.3	0	0	0	110.7	Y139 Q145 S146 C147 T155 L159 L162 I173 Q176	Y139-I143 WeakPolarHBondContact O-CG1 3.24Å; Y139-I143 PolarHBondContact O-N 3.15Å; I143-Q145 VanDerWaalsContact C-N 3.27Å; I143-Q145 PolarHBondContact O-N 3.23Å; I143-S146 PolarHBondContact O-N 3.02Å; I143-S146 PolarHBondContact O-OG 3.2Å; I143-C147 VanDerWaalsContact O-CB 3.31Å; I143-C147 WeakPolarHBondContact O-CB 3.49Å; I143-C147 PolarHBondContact O-N 3.47Å; I143-C147 PolarHBondContact O-SG 3.46Å; I143-T155 HydrophobicContact CG2-CG2 4.16Å; I143-L159 HydrophobicContact CD1-CD2 3.69Å; I143-L159 HydrophobicContact CD1-CG 4.16Å; I143-L159 HydrophobicContact CG1-CD2 4.48Å; I143-L159 HydrophobicContact CG1-CG 4.49Å; I143-L162 HydrophobicContact CD1-CD1 3.88Å; I143-I173 HydrophobicContact CD1-CD1 4.32Å; I143-I173 HydrophobicContact CD1-CG1 4.33Å; I143-I173 HydrophobicContact CD1-CG2 4.06Å; I143-I173 HydrophobicContact CG2-CG2 4.3Å; I143-Q176 HydrophobicContact CG2-CB 4.43Å
144	H	90.9	Very high	90.6	Very high	19 Å²	19	30.1 Å²	30.1	9%	0.088	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-41.5	176.1	178.9	-163.6	0	0	0	111.3	N109 V112 A140 S141 C147 A148 Y172 Q176	N109-H144 PolarHBondContact OD1-ND1 3.48Å; V112-H144 HydrophobicContact CG1-CB 4.23Å; A140-H144 VanDerWaalsContact O-CB 3.25Å; A140-H144 WeakPolarHBondContact O-CB 2.96Å; A140-H144 PolarHBondContact O-N 3.04Å; S141-H144 PolarHBondContact O-N 3.29Å; H144-C147 PolarHBondContact O-N 2.98Å; H144-A148 VanDerWaalsContact O-CB 3.24Å; H144-A148 WeakPolarHBondContact O-CB 3.33Å; H144-A148 PolarHBondContact O-N 3.03Å; H144-Y172 PolarHBondContact ND1-OH 2.91Å; H144-Y172 VanDerWaalsContact ND1-OH 3.15Å; H144-Q176 HydrophobicContact CB-CG 4.11Å; H144-Q176 PolarHBondContact CD2-OE1 3Å; H144-Q176 PolarHBondContact NE2-OE1 3.45Å
145	Q	91.7	Very high	90.6	Very high	25 Å²	25	29.2 Å²	29.2	12%	0.117	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-48.3	178.6	-175.5	173.8	-84.8	0	0	112.9	V112 V118 S141 F142 I143 A148	V112-Q145 HydrophobicContact CG1-CB 4.03Å; V112-Q145 HydrophobicContact CG2-CB 3.92Å; V118-Q145 VanDerWaalsContact CB-OE1 3.24Å; V118-Q145 PolarHBondContact O-NE2 2.89Å; V118-Q145 PolarHBondContact O-OE1 3.38Å; S141-Q145 PolarHBondContact O-N 2.89Å; F142-Q145 WeakPolarHBondContact O-CB 3.44Å; F142-Q145 PolarHBondContact O-N 3.42Å; I143-Q145 VanDerWaalsContact C-N 3.27Å; I143-Q145 PolarHBondContact O-N 3.23Å; Q145-A148 PolarHBondContact O-N 3.15Å
146	S	92.6	Very high	90.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.7	-41.7	179.8	55.6	0	0	0	0	111.4	F142 I143 A148 V149 G150 D151 T155	F142-S146 PolarHBondContact O-N 3.45Å; F142-S146 VanDerWaalsContact O-N 3.17Å; F142-S146 PolarHBondContact O-OG 3.39Å; I143-S146 PolarHBondContact O-N 3.02Å; I143-S146 PolarHBondContact O-OG 3.2Å; S146-A148 PolarHBondContact O-N 3.41Å; S146-V149 WeakPolarHBondContact O-CG2 3.34Å; S146-V149 PolarHBondContact O-N 3.32Å; S146-G150 PolarHBondContact O-N 2.96Å; S146-D151 PolarHBondContact O-N 3.43Å; S146-T155 VanDerWaalsContact CB-OG1 3.29Å; S146-T155 WeakPolarHBondContact CB-OG1 3.22Å; S146-T155 VanDerWaalsContact OG-CA 3.3Å; S146-T155 WeakPolarHBondContact OG-CA 3.41Å; S146-T155 PolarHBondContact OG-N 2.92Å; S146-T155 PolarHBondContact OG-OG1 3.4Å
147	C	91.2	Very high	90.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-41	174.3	-72.3	0	0	0	0	112.7	I143 H144 V149 G150 T155 Q176 G180	I143-C147 VanDerWaalsContact O-CB 3.31Å; I143-C147 WeakPolarHBondContact O-CB 3.49Å; I143-C147 PolarHBondContact O-N 3.47Å; I143-C147 PolarHBondContact O-SG 3.46Å; H144-C147 PolarHBondContact O-N 2.98Å; C147-V149 PolarHBondContact O-N 3.06Å; C147-G150 PolarHBondContact O-N 3.01Å; C147-T155 VanDerWaalsContact SG-CG2 3.57Å; C147-Q176 HydrophobicContact CB-CB 4.28Å; C147-Q176 WeakPolarHBondContact CB-O 3.31Å; C147-Q176 VanDerWaalsContact SG-C 3.54Å; C147-Q176 PolarHBondContact SG-O 2.96Å; C147-G180 WeakPolarHBondContact O-CA 3.46Å
148	A	86.1	Confident	91.2	Very high	4 Å²	4	31 Å²	31	3%	0.033	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-25.1	-177.8	0	0	0	0	0	113.2	R35 H144 Q145 S146	R35-A148 PolarHBondContact NH2-O 3.48Å; H144-A148 VanDerWaalsContact O-CB 3.24Å; H144-A148 WeakPolarHBondContact O-CB 3.33Å; H144-A148 PolarHBondContact O-N 3.03Å; Q145-A148 PolarHBondContact O-N 3.15Å; S146-A148 PolarHBondContact O-N 3.41Å
149	V	86.7	Confident	91.3	Very high	89 Å²	89	32.6 Å²	32.6	54%	0.539	17%	0.17	S	C	.	.	H	α-helix	trans	-97.7	-3.7	174	-62.3	0	0	0	0	113.4	S146 C147 D151	S146-V149 WeakPolarHBondContact O-CG2 3.34Å; S146-V149 PolarHBondContact O-N 3.32Å; C147-V149 PolarHBondContact O-N 3.06Å; V149-D151 HydrophobicContact CG2-CB 3.98Å
150	G	89.1	Confident	91.3	Very high	14 Å²	14	39.7 Å²	39.7	14%	0.144	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	14.4	-177.2	0	0	0	0	0	114.7	S146 C147 M152 A184	S146-G150 PolarHBondContact O-N 2.96Å; C147-G150 PolarHBondContact O-N 3.01Å; G150-M152 PolarHBondContact O-N 3.32Å; G150-M152 VanDerWaalsContact O-N 3.11Å; G150-A184 WeakPolarHBondContact O-CB 3.23Å
151	D	91.6	Very high	91.4	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.332	21%	0.209	S	C	.	.			trans	-83	88.5	177.9	-171.2	-18.2	0	0	0	110.6	S146 V149 N153 Q154 T155	S146-D151 PolarHBondContact O-N 3.43Å; V149-D151 HydrophobicContact CG2-CB 3.98Å; D151-N153 VanDerWaalsContact C-N 3.32Å; D151-N153 PolarHBondContact O-N 2.84Å; D151-N153 PolarHBondContact OD1-N 3.19Å; D151-N153 VanDerWaalsContact OD1-N 3.16Å; D151-Q154 HydrophobicContact CB-CB 4.21Å; D151-Q154 VanDerWaalsContact CG-CB 3.47Å; D151-Q154 PolarHBondContact OD1-N 2.97Å; D151-Q154 WeakPolarHBondContact OD2-CB 3.42Å; D151-T155 WeakPolarHBondContact O-CB 3.3Å; D151-T155 PolarHBondContact O-N 2.8Å; D151-T155 PolarHBondContact O-OG1 3.12Å
152	M	92.3	Very high	91.5	Very high	16 Å²	16	42 Å²	42	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-75.1	-21	-178.3	-59.7	-47.9	-67	0	0	113.2	G150 T155 N156 I177 Y181 A184 L186	G150-M152 PolarHBondContact O-N 3.32Å; G150-M152 VanDerWaalsContact O-N 3.11Å; M152-T155 HydrophobicContact CE-CG2 3.95Å; M152-T155 PolarHBondContact O-N 3.07Å; M152-N156 WeakPolarHBondContact O-CB 3.47Å; M152-N156 PolarHBondContact O-N 3.44Å; M152-N156 PolarHBondContact O-ND2 3.15Å; M152-I177 HydrophobicContact CE-CG2 4.27Å; M152-Y181 HydrophobicContact CE-CD1 3.68Å; M152-Y181 HydrophobicContact CE-CD2 4.22Å; M152-Y181 HydrophobicContact CE-CE1 3.62Å; M152-Y181 HydrophobicContact CE-CE2 4.16Å; M152-Y181 HydrophobicContact CE-CG 4Å; M152-Y181 HydrophobicContact CG-CD1 3.98Å; M152-Y181 HydrophobicContact CG-CE1 4.2Å; M152-Y181 HydrophobicContact SD-CD1 4.3Å; M152-A184 HydrophobicContact CG-CB 3.92Å; M152-L186 HydrophobicContact CG-CD1 4.4Å
153	N	91.6	Very high	91.4	Very high	136 Å²	136	51.3 Å²	51.3	73%	0.727	24%	0.243	S	C	*	.	H	α-helix	trans	-68.6	-48.1	174.5	-71.4	-34.2	0	0	0	110.5	D151 T155 N156 F157	D151-N153 VanDerWaalsContact C-N 3.32Å; D151-N153 PolarHBondContact O-N 2.84Å; D151-N153 PolarHBondContact OD1-N 3.19Å; D151-N153 VanDerWaalsContact OD1-N 3.16Å; N153-T155 VanDerWaalsContact C-N 3.31Å; N153-T155 PolarHBondContact O-N 3.01Å; N153-N156 PolarHBondContact O-N 3.03Å; N153-F157 PolarHBondContact O-N 3.44Å; N153-F157 VanDerWaalsContact O-N 3.07Å
154	Q	91.9	Very high	91.4	Very high	59 Å²	59	57.9 Å²	57.9	28%	0.276	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-35.8	175.7	-165.1	179.8	31	0	0	111.5	D151 N156 F157 Y158	D151-Q154 HydrophobicContact CB-CB 4.21Å; D151-Q154 VanDerWaalsContact CG-CB 3.47Å; D151-Q154 PolarHBondContact OD1-N 2.97Å; D151-Q154 WeakPolarHBondContact OD2-CB 3.42Å; Q154-N156 PolarHBondContact O-N 3.2Å; Q154-F157 WeakPolarHBondContact O-CB 3.42Å; Q154-F157 PolarHBondContact O-N 3.41Å; Q154-Y158 HydrophobicContact CG-CD2 4.08Å; Q154-Y158 HydrophobicContact CG-CE2 3.41Å; Q154-Y158 VanDerWaalsContact CG-CE2 3.41Å; Q154-Y158 PolarHBondContact NE2-OH 3.45Å; Q154-Y158 WeakPolarHBondContact O-CD2 3.5Å; Q154-Y158 PolarHBondContact O-N 3.1Å
155	T	92	Very high	91.4	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-48	172.3	-61	0	0	0	0	111.7	I143 S146 C147 D151 M152 N153 F157 Y158 L159 I177	I143-T155 HydrophobicContact CG2-CG2 4.16Å; S146-T155 VanDerWaalsContact CB-OG1 3.29Å; S146-T155 WeakPolarHBondContact CB-OG1 3.22Å; S146-T155 VanDerWaalsContact OG-CA 3.3Å; S146-T155 WeakPolarHBondContact OG-CA 3.41Å; S146-T155 PolarHBondContact OG-N 2.92Å; S146-T155 PolarHBondContact OG-OG1 3.4Å; C147-T155 VanDerWaalsContact SG-CG2 3.57Å; D151-T155 WeakPolarHBondContact O-CB 3.3Å; D151-T155 PolarHBondContact O-N 2.8Å; D151-T155 PolarHBondContact O-OG1 3.12Å; M152-T155 HydrophobicContact CE-CG2 3.95Å; M152-T155 PolarHBondContact O-N 3.07Å; N153-T155 VanDerWaalsContact C-N 3.31Å; N153-T155 PolarHBondContact O-N 3.01Å; T155-F157 VanDerWaalsContact C-N 3.3Å; T155-F157 PolarHBondContact O-N 3.45Å; T155-Y158 PolarHBondContact O-N 2.65Å; T155-L159 HydrophobicContact CG2-CD1 4.08Å; T155-L159 WeakPolarHBondContact O-CG 3.41Å; T155-L159 PolarHBondContact O-N 3.4Å; T155-I177 HydrophobicContact CG2-CG1 4.41Å
156	N	92	Very high	91.3	Very high	69 Å²	69	60.9 Å²	60.9	37%	0.369	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-36.8	176.8	-82.2	-32.6	0	0	0	112.6	M152 N153 Q154 L159 R160	M152-N156 WeakPolarHBondContact O-CB 3.47Å; M152-N156 PolarHBondContact O-N 3.44Å; M152-N156 PolarHBondContact O-ND2 3.15Å; N153-N156 PolarHBondContact O-N 3.03Å; Q154-N156 PolarHBondContact O-N 3.2Å; N156-L159 PolarHBondContact O-N 3.42Å; N156-R160 WeakPolarHBondContact O-CG 3.31Å; N156-R160 PolarHBondContact O-N 2.75Å
157	F	93.5	Very high	91.3	Very high	112 Å²	112	64.4 Å²	64.4	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-48.9	173.1	177	-97.7	0	0	0	111.7	N153 Q154 T155 L159 R160 M161	N153-F157 PolarHBondContact O-N 3.44Å; N153-F157 VanDerWaalsContact O-N 3.07Å; Q154-F157 WeakPolarHBondContact O-CB 3.42Å; Q154-F157 PolarHBondContact O-N 3.41Å; T155-F157 VanDerWaalsContact C-N 3.3Å; T155-F157 PolarHBondContact O-N 3.45Å; F157-L159 VanDerWaalsContact C-N 3.35Å; F157-L159 PolarHBondContact O-N 2.81Å; F157-R160 WeakPolarHBondContact O-CB 3.38Å; F157-R160 PolarHBondContact O-N 3.23Å; F157-M161 HydrophobicContact CD1-SD 4.09Å; F157-M161 HydrophobicContact CE1-CG 4.14Å; F157-M161 HydrophobicContact CE1-SD 3.41Å; F157-M161 WeakPolarHBondContact CE1-SD 3.45Å; F157-M161 HydrophobicContact CZ-CG 4.33Å; F157-M161 HydrophobicContact CZ-SD 3.89Å; F157-M161 PolarHBondContact O-N 2.99Å
158	Y	92.9	Very high	91	Very high	15 Å²	15	73.1 Å²	73.1	6%	0.059	37%	0.37	C	S	.	.	H	α-helix	trans	-69	-30.3	178.4	-63.9	-44.3	0	0	0	113.6	P120 F142 Q154 T155 M161 L162	P120-Y158 HydrophobicContact CB-CE1 3.95Å; P120-Y158 HydrophobicContact CG-CE1 3.77Å; P120-Y158 HydrophobicContact CG-CE2 4.33Å; P120-Y158 WeakPolarHBondContact CG-OH 3.45Å; F142-Y158 HydrophobicContact CB-CD1 4.12Å; F142-Y158 HydrophobicContact CB-CD2 3.82Å; F142-Y158 HydrophobicContact CB-CE1 4.42Å; F142-Y158 HydrophobicContact CB-CE2 4.08Å; F142-Y158 HydrophobicContact CB-CG 3.87Å; Q154-Y158 HydrophobicContact CG-CD2 4.08Å; Q154-Y158 HydrophobicContact CG-CE2 3.41Å; Q154-Y158 VanDerWaalsContact CG-CE2 3.41Å; Q154-Y158 PolarHBondContact NE2-OH 3.45Å; Q154-Y158 WeakPolarHBondContact O-CD2 3.5Å; Q154-Y158 PolarHBondContact O-N 3.1Å; T155-Y158 PolarHBondContact O-N 2.65Å; Y158-M161 HydrophobicContact CD1-SD 3.91Å; Y158-M161 HydrophobicContact CE1-SD 4.28Å; Y158-M161 PolarHBondContact O-N 3.09Å; Y158-L162 WeakPolarHBondContact O-CB 3.41Å; Y158-L162 PolarHBondContact O-N 2.74Å
159	L	91.8	Very high	90.9	Very high	33 Å²	33	75.6 Å²	75.6	17%	0.173	39%	0.386	C	S	.	.	H	α-helix	trans	-64.5	-39.9	171	-75.6	169.4	0	0	0	112.2	I143 T155 N156 F157 L162 R163 I173 I177	I143-L159 HydrophobicContact CD1-CD2 3.69Å; I143-L159 HydrophobicContact CD1-CG 4.16Å; I143-L159 HydrophobicContact CG1-CD2 4.48Å; I143-L159 HydrophobicContact CG1-CG 4.49Å; T155-L159 HydrophobicContact CG2-CD1 4.08Å; T155-L159 WeakPolarHBondContact O-CG 3.41Å; T155-L159 PolarHBondContact O-N 3.4Å; N156-L159 PolarHBondContact O-N 3.42Å; F157-L159 VanDerWaalsContact C-N 3.35Å; F157-L159 PolarHBondContact O-N 2.81Å; L159-L162 PolarHBondContact O-N 2.62Å; L159-R163 PolarHBondContact O-N 3.14Å; L159-I173 HydrophobicContact CD2-CG2 3.76Å; L159-I177 HydrophobicContact CD1-CD1 3.73Å; L159-I177 HydrophobicContact CD1-CG1 4.24Å; L159-I177 HydrophobicContact CD2-CD1 3.99Å; L159-I177 HydrophobicContact CG-CD1 4.47Å
160	R	92.7	Very high	90.7	Very high	174 Å²	174	73.3 Å²	73.3	66%	0.657	37%	0.372	S	S	*	.	H	α-helix	trans	-64.5	-42.8	173.2	-70.8	175.4	-172.3	175.8	3.3	111.3	N156 F157 L162 R163 N164	N156-R160 WeakPolarHBondContact O-CG 3.31Å; N156-R160 PolarHBondContact O-N 2.75Å; F157-R160 WeakPolarHBondContact O-CB 3.38Å; F157-R160 PolarHBondContact O-N 3.23Å; R160-L162 PolarHBondContact O-N 2.74Å; R160-R163 PolarHBondContact O-N 3.5Å; R160-N164 WeakPolarHBondContact O-CB 3.48Å; R160-N164 PolarHBondContact O-N 2.94Å; R160-N164 PolarHBondContact O-OD1 3.07Å
161	M	91.8	Very high	90.5	Very high	54 Å²	54	79.6 Å²	79.6	27%	0.266	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-45.5	174.8	-70	-172	74.6	0	0	112.1	I124 Y139 F157 Y158 R163 N164 A165	I124-M161 HydrophobicContact CD1-CE 3.97Å; Y139-M161 HydrophobicContact CD1-CB 4.26Å; Y139-M161 HydrophobicContact CE1-CB 3.96Å; Y139-M161 HydrophobicContact CE1-CE 4.3Å; F157-M161 HydrophobicContact CD1-SD 4.09Å; F157-M161 HydrophobicContact CE1-CG 4.14Å; F157-M161 HydrophobicContact CE1-SD 3.41Å; F157-M161 WeakPolarHBondContact CE1-SD 3.45Å; F157-M161 HydrophobicContact CZ-CG 4.33Å; F157-M161 HydrophobicContact CZ-SD 3.89Å; F157-M161 PolarHBondContact O-N 2.99Å; Y158-M161 HydrophobicContact CD1-SD 3.91Å; Y158-M161 HydrophobicContact CE1-SD 4.28Å; Y158-M161 PolarHBondContact O-N 3.09Å; M161-R163 VanDerWaalsContact C-N 3.31Å; M161-R163 PolarHBondContact O-N 3.48Å; M161-N164 PolarHBondContact O-N 3.48Å; M161-A165 WeakPolarHBondContact O-CB 3.35Å; M161-A165 PolarHBondContact O-N 3.24Å
162	L	92.9	Very high	90.2	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-44.5	176.7	-178.8	151.3	0	0	0	111.5	Y139 I143 Y158 L159 R160 A165 F167 P169 I173	Y139-L162 HydrophobicContact CG-CB 4.25Å; I143-L162 HydrophobicContact CD1-CD1 3.88Å; Y158-L162 WeakPolarHBondContact O-CB 3.41Å; Y158-L162 PolarHBondContact O-N 2.74Å; L159-L162 PolarHBondContact O-N 2.62Å; R160-L162 PolarHBondContact O-N 2.74Å; L162-A165 PolarHBondContact O-N 3.04Å; L162-F167 HydrophobicContact CD2-CB 3.85Å; L162-F167 VanDerWaalsContact CD2-O 3.27Å; L162-F167 WeakPolarHBondContact CD2-O 3.43Å; L162-F167 HydrophobicContact CG-CB 3.94Å; L162-F167 PolarHBondContact O-N 3.48Å; L162-F167 VanDerWaalsContact O-N 3.11Å; L162-P169 HydrophobicContact CD2-CG 4.27Å; L162-I173 HydrophobicContact CD1-CD1 3.32Å
163	R	91.8	Very high	90	Very high	197 Å²	197	77.7 Å²	77.7	74%	0.743	38%	0.379	S	S	*	.	H	α-helix	trans	-66.4	-43.2	177.3	-176.5	-179.8	176.8	179.5	-0.8	112.1	L159 R160 M161 A165 G166	L159-R163 PolarHBondContact O-N 3.14Å; R160-R163 PolarHBondContact O-N 3.5Å; M161-R163 VanDerWaalsContact C-N 3.31Å; M161-R163 PolarHBondContact O-N 3.48Å; R163-A165 PolarHBondContact O-N 3.31Å; R163-G166 PolarHBondContact O-N 3.31Å
164	N	92.2	Very high	89.8	Confident	137 Å²	137	73 Å²	73	73%	0.733	35%	0.352	S	S	*	.	H	α-helix	trans	-65.3	-30	178.6	-68.9	-7.4	0	0	0	112	R160 M161 G166	R160-N164 WeakPolarHBondContact O-CB 3.48Å; R160-N164 PolarHBondContact O-N 2.94Å; R160-N164 PolarHBondContact O-OD1 3.07Å; M161-N164 PolarHBondContact O-N 3.48Å; N164-G166 PolarHBondContact O-N 3.12Å
165	A	90.6	Very high	89.6	Confident	42 Å²	42	70.5 Å²	70.5	35%	0.347	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	1.8	171.4	0	0	0	0	0	113.7	Y139 M161 L162 R163 F167	Y139-A165 HydrophobicContact CE2-CB 3.85Å; M161-A165 WeakPolarHBondContact O-CB 3.35Å; M161-A165 PolarHBondContact O-N 3.24Å; L162-A165 PolarHBondContact O-N 3.04Å; R163-A165 PolarHBondContact O-N 3.31Å; A165-F167 HydrophobicContact CB-CD2 3.79Å; A165-F167 HydrophobicContact CB-CE2 3.97Å
166	G	90.8	Very high	89.5	Confident	66 Å²	66	71.2 Å²	71.2	68%	0.68	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	8	176.6	0	0	0	0	0	115	R163 N164	R163-G166 PolarHBondContact O-N 3.31Å; N164-G166 PolarHBondContact O-N 3.12Å
167	F	91.1	Very high	89.5	Confident	74 Å²	74	68.6 Å²	68.6	33%	0.325	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-90.1	154.1	178.6	-60.8	-64.8	0	0	0	111.9	A136 Y139 L162 A165	A136-F167 HydrophobicContact CB-CB 4.17Å; A136-F167 HydrophobicContact CB-CD1 3.93Å; A136-F167 HydrophobicContact CB-CG 3.97Å; Y139-F167 HydrophobicContact CD2-CD2 4.07Å; Y139-F167 HydrophobicContact CD2-CE2 4.25Å; Y139-F167 HydrophobicContact CE2-CD2 4.1Å; Y139-F167 AromaticContact CE2-CE2 3.99Å; Y139-F167 HydrophobicContact CE2-CE2 3.99Å; L162-F167 HydrophobicContact CD2-CB 3.85Å; L162-F167 VanDerWaalsContact CD2-O 3.27Å; L162-F167 WeakPolarHBondContact CD2-O 3.43Å; L162-F167 HydrophobicContact CG-CB 3.94Å; L162-F167 PolarHBondContact O-N 3.48Å; L162-F167 VanDerWaalsContact O-N 3.11Å; A165-F167 HydrophobicContact CB-CD2 3.79Å; A165-F167 HydrophobicContact CB-CE2 3.97Å
168	K	85.5	Confident	89.4	Confident	182 Å²	182	63.2 Å²	63.2	79%	0.791	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-101.6	142	171.2	-66.3	-177.5	-179.9	-179.7	0	109.7	T170	K168-T170 PolarHBondContact O-N 2.84Å
169	P	84.1	Confident	89.4	Confident	57 Å²	57	62.9 Å²	62.9	37%	0.37	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-55.1	131.9	172.5	-26.2	35	0	0	0	111.8	L162 I173 F174	L162-P169 HydrophobicContact CD2-CG 4.27Å; P169-I173 HydrophobicContact CB-CB 4.35Å; P169-I173 HydrophobicContact CB-CG2 4Å; P169-F174 HydrophobicContact CB-CD2 4.47Å; P169-F174 HydrophobicContact CB-CE1 4.44Å; P169-F174 HydrophobicContact CB-CE2 3.92Å; P169-F174 HydrophobicContact CB-CZ 3.91Å
170	T	83.5	Confident	89.3	Confident	40 Å²	40	61.3 Å²	61.3	25%	0.245	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-87.3	165.6	177.3	64.8	0	0	0	0	110.6	K168 Y172 I173 F174	K168-T170 PolarHBondContact O-N 2.84Å; T170-Y172 PolarHBondContact O-N 3.28Å; T170-Y172 VanDerWaalsContact O-N 3.16Å; T170-I173 HydrophobicContact CG2-CD1 4.49Å; T170-I173 WeakPolarHBondContact O-CB 3.26Å; T170-I173 PolarHBondContact O-N 2.9Å; T170-I173 PolarHBondContact OG1-N 3.49Å; T170-F174 WeakPolarHBondContact O-CD2 3.45Å; T170-F174 PolarHBondContact O-N 2.97Å; T170-F174 VanDerWaalsContact O-N 3.14Å
171	R	83.7	Confident	89.4	Confident	147 Å²	147	54.4 Å²	54.4	56%	0.555	27%	0.272	S	S	*	.	H	α-helix	trans	-53.7	-34.8	172.7	-66.3	-178.2	-178.2	-178.3	-2.8	112.5	S175 L202 F207	R171-S175 PolarHBondContact O-N 3.15Å; R171-S175 VanDerWaalsContact O-N 3.09Å; R171-L202 HydrophobicContact CG-CD2 4.49Å; R171-F207 HydrophobicContact CB-CD2 4.37Å
172	Y	84.7	Confident	89.4	Confident	38 Å²	38	52.6 Å²	52.6	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-44.3	174.6	176.7	-98.8	0	0	0	112	W137 A140 H144 T170 F174 S175 Q176	W137-Y172 HydrophobicContact CE3-CD1 4.29Å; W137-Y172 HydrophobicContact CH2-CG 4.36Å; W137-Y172 AromaticContact CZ3-CD1 3.77Å; W137-Y172 HydrophobicContact CZ3-CD1 3.77Å; W137-Y172 HydrophobicContact CZ3-CD2 4.39Å; W137-Y172 HydrophobicContact CZ3-CE1 4.35Å; W137-Y172 AromaticContact CZ3-CG 3.78Å; W137-Y172 HydrophobicContact CZ3-CG 3.78Å; A140-Y172 HydrophobicContact CB-CD1 4.01Å; A140-Y172 HydrophobicContact CB-CE1 4.1Å; H144-Y172 PolarHBondContact ND1-OH 2.91Å; H144-Y172 VanDerWaalsContact ND1-OH 3.15Å; T170-Y172 PolarHBondContact O-N 3.28Å; T170-Y172 VanDerWaalsContact O-N 3.16Å; Y172-F174 PolarHBondContact O-N 2.68Å; Y172-S175 VanDerWaalsContact O-CB 3.3Å; Y172-S175 WeakPolarHBondContact O-CB 3.38Å; Y172-S175 PolarHBondContact O-N 3.36Å; Y172-Q176 HydrophobicContact CD1-CG 4.26Å; Y172-Q176 HydrophobicContact CE1-CG 3.8Å; Y172-Q176 HydrophobicContact CE2-CG 4.39Å; Y172-Q176 WeakPolarHBondContact O-CG 3.08Å; Y172-Q176 PolarHBondContact O-N 2.86Å
173	I	88.2	Confident	89.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-44.7	177.9	-72	162.7	0	0	0	110.9	A140 I143 L159 L162 P169 T170 S175 Q176 I177	A140-I173 HydrophobicContact CB-CD1 4Å; A140-I173 HydrophobicContact CB-CG1 3.72Å; I143-I173 HydrophobicContact CD1-CD1 4.32Å; I143-I173 HydrophobicContact CD1-CG1 4.33Å; I143-I173 HydrophobicContact CD1-CG2 4.06Å; I143-I173 HydrophobicContact CG2-CG2 4.3Å; L159-I173 HydrophobicContact CD2-CG2 3.76Å; L162-I173 HydrophobicContact CD1-CD1 3.32Å; P169-I173 HydrophobicContact CB-CB 4.35Å; P169-I173 HydrophobicContact CB-CG2 4Å; T170-I173 HydrophobicContact CG2-CD1 4.49Å; T170-I173 WeakPolarHBondContact O-CB 3.26Å; T170-I173 PolarHBondContact O-N 2.9Å; T170-I173 PolarHBondContact OG1-N 3.49Å; I173-S175 VanDerWaalsContact C-N 3.3Å; I173-S175 PolarHBondContact O-N 3.46Å; I173-Q176 PolarHBondContact O-N 3.32Å; I173-Q176 VanDerWaalsContact O-N 3.09Å; I173-I177 HydrophobicContact CG2-CD1 3.89Å; I173-I177 HydrophobicContact CG2-CG1 4.39Å; I173-I177 WeakPolarHBondContact O-CG1 3.29Å; I173-I177 PolarHBondContact O-N 3.44Å
174	F	87.5	Confident	89.2	Confident	37 Å²	37	47.9 Å²	47.9	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-39.1	175.5	-72.2	-64.1	0	0	0	112.8	P169 T170 Y172 Q176 I177 L178 L197 M200 L202	P169-F174 HydrophobicContact CB-CD2 4.47Å; P169-F174 HydrophobicContact CB-CE1 4.44Å; P169-F174 HydrophobicContact CB-CE2 3.92Å; P169-F174 HydrophobicContact CB-CZ 3.91Å; T170-F174 WeakPolarHBondContact O-CD2 3.45Å; T170-F174 PolarHBondContact O-N 2.97Å; T170-F174 VanDerWaalsContact O-N 3.14Å; Y172-F174 PolarHBondContact O-N 2.68Å; F174-Q176 VanDerWaalsContact C-N 3.33Å; F174-Q176 PolarHBondContact O-N 3.34Å; F174-I177 HydrophobicContact CD1-CD1 4.28Å; F174-I177 PolarHBondContact O-N 2.91Å; F174-L178 WeakPolarHBondContact O-CG 3.44Å; F174-L178 PolarHBondContact O-N 3.22Å; F174-L197 HydrophobicContact CB-CD1 4.36Å; F174-L197 HydrophobicContact CB-CD2 3.98Å; F174-L197 HydrophobicContact CD1-CD2 3.77Å; F174-L197 HydrophobicContact CD2-CD2 3.92Å; F174-L197 HydrophobicContact CE1-CD2 4.16Å; F174-L197 HydrophobicContact CE2-CD2 4.3Å; F174-L197 HydrophobicContact CG-CD2 3.64Å; F174-L197 HydrophobicContact CZ-CD2 4.4Å; F174-M200 HydrophobicContact CZ-SD 4.49Å; F174-L202 HydrophobicContact CD2-CD1 4.35Å; F174-L202 HydrophobicContact CE2-CD1 4.05Å
175	S	88.7	Confident	89.1	Confident	7 Å²	7	44.1 Å²	44.1	5%	0.049	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-42.1	171.7	155.9	0	0	0	0	112.4	R171 Y172 I173 H179 F207 G211	R171-S175 PolarHBondContact O-N 3.15Å; R171-S175 VanDerWaalsContact O-N 3.09Å; Y172-S175 VanDerWaalsContact O-CB 3.3Å; Y172-S175 WeakPolarHBondContact O-CB 3.38Å; Y172-S175 PolarHBondContact O-N 3.36Å; I173-S175 VanDerWaalsContact C-N 3.3Å; I173-S175 PolarHBondContact O-N 3.46Å; S175-H179 WeakPolarHBondContact O-CB 3.17Å; S175-H179 PolarHBondContact O-N 3.22Å; S175-F207 WeakPolarHBondContact CB-O 3.4Å; S175-F207 PolarHBondContact OG-O 3.1Å; S175-F207 VanDerWaalsContact OG-O 3.07Å; S175-G211 WeakPolarHBondContact OG-CA 3.16Å
176	Q	90.3	Very high	89.1	Confident	15 Å²	15	45.6 Å²	45.6	7%	0.07	25%	0.25	C	S	.	.	H	α-helix	trans	-69	-36.9	176	-59.4	-46	-59.2	0	0	112.4	I143 H144 C147 Y172 I173 F174 H179 G180	I143-Q176 HydrophobicContact CG2-CB 4.43Å; H144-Q176 HydrophobicContact CB-CG 4.11Å; H144-Q176 PolarHBondContact CD2-OE1 3Å; H144-Q176 PolarHBondContact NE2-OE1 3.45Å; C147-Q176 HydrophobicContact CB-CB 4.28Å; C147-Q176 WeakPolarHBondContact CB-O 3.31Å; C147-Q176 VanDerWaalsContact SG-C 3.54Å; C147-Q176 PolarHBondContact SG-O 2.96Å; Y172-Q176 HydrophobicContact CD1-CG 4.26Å; Y172-Q176 HydrophobicContact CE1-CG 3.8Å; Y172-Q176 HydrophobicContact CE2-CG 4.39Å; Y172-Q176 WeakPolarHBondContact O-CG 3.08Å; Y172-Q176 PolarHBondContact O-N 2.86Å; I173-Q176 PolarHBondContact O-N 3.32Å; I173-Q176 VanDerWaalsContact O-N 3.09Å; F174-Q176 VanDerWaalsContact C-N 3.33Å; F174-Q176 PolarHBondContact O-N 3.34Å; Q176-H179 WeakPolarHBondContact O-CB 3.3Å; Q176-H179 PolarHBondContact O-N 3.07Å; Q176-G180 PolarHBondContact O-N 3.29Å
177	I	91.5	Very high	88.8	Confident	13 Å²	13	46.8 Å²	46.8	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-49	175.8	-68.6	166.8	0	0	0	110.5	M152 T155 L159 I173 F174 H179 G180 Y181	M152-I177 HydrophobicContact CE-CG2 4.27Å; T155-I177 HydrophobicContact CG2-CG1 4.41Å; L159-I177 HydrophobicContact CD1-CD1 3.73Å; L159-I177 HydrophobicContact CD1-CG1 4.24Å; L159-I177 HydrophobicContact CD2-CD1 3.99Å; L159-I177 HydrophobicContact CG-CD1 4.47Å; I173-I177 HydrophobicContact CG2-CD1 3.89Å; I173-I177 HydrophobicContact CG2-CG1 4.39Å; I173-I177 WeakPolarHBondContact O-CG1 3.29Å; I173-I177 PolarHBondContact O-N 3.44Å; F174-I177 HydrophobicContact CD1-CD1 4.28Å; F174-I177 PolarHBondContact O-N 2.91Å; I177-H179 VanDerWaalsContact C-N 3.27Å; I177-H179 PolarHBondContact O-N 3.15Å; I177-G180 PolarHBondContact O-N 2.95Å; I177-Y181 HydrophobicContact CG2-CD2 3.63Å; I177-Y181 HydrophobicContact CG2-CE2 3.22Å; I177-Y181 VanDerWaalsContact O-CD2 3.31Å; I177-Y181 WeakPolarHBondContact O-CD2 3.38Å; I177-Y181 PolarHBondContact O-N 3.43Å
178	L	92	Very high	88.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-44	174.1	-73.3	171.6	0	0	0	111.3	F174 G180 Y181 V182 V190 T193 Q194 L197 W203 A208 L212	F174-L178 WeakPolarHBondContact O-CG 3.44Å; F174-L178 PolarHBondContact O-N 3.22Å; L178-G180 VanDerWaalsContact C-N 3.34Å; L178-G180 PolarHBondContact O-N 3.02Å; L178-Y181 PolarHBondContact O-N 3.02Å; L178-V182 WeakPolarHBondContact O-CG2 3.46Å; L178-V182 PolarHBondContact O-N 3.4Å; L178-V190 HydrophobicContact CD2-CG1 4.17Å; L178-T193 HydrophobicContact CD2-CG2 3.66Å; L178-T193 HydrophobicContact CG-CG2 4.12Å; L178-Q194 HydrophobicContact CD2-CG 4.36Å; L178-L197 HydrophobicContact CD1-CD1 3.94Å; L178-W203 HydrophobicContact CD1-CZ3 4.45Å; L178-A208 HydrophobicContact CD1-CB 3.71Å; L178-L212 HydrophobicContact CB-CD2 3.97Å; L178-L212 HydrophobicContact CB-CG 4.29Å; L178-L212 HydrophobicContact CD1-CG 4.47Å; L178-L212 HydrophobicContact CD2-CD2 4.45Å
179	H	90.9	Very high	88.9	Confident	7 Å²	7	46 Å²	46	3%	0.032	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-46.1	174.6	-177.3	112.5	0	0	0	111.9	S175 Q176 I177 V182 K183 G211 A215 D218	S175-H179 WeakPolarHBondContact O-CB 3.17Å; S175-H179 PolarHBondContact O-N 3.22Å; Q176-H179 WeakPolarHBondContact O-CB 3.3Å; Q176-H179 PolarHBondContact O-N 3.07Å; I177-H179 VanDerWaalsContact C-N 3.27Å; I177-H179 PolarHBondContact O-N 3.15Å; H179-V182 PolarHBondContact O-N 3Å; H179-K183 WeakPolarHBondContact O-CG 3.44Å; H179-K183 PolarHBondContact O-N 3.26Å; H179-G211 PolarHBondContact ND1-O 3.22Å; H179-A215 HydrophobicContact CB-CB 4.1Å; H179-A215 VanDerWaalsContact CE1-CA 3.45Å; H179-A215 WeakPolarHBondContact CE1-CA 3.35Å; H179-A215 PolarHBondContact CE1-N 2.9Å; H179-A215 WeakPolarHBondContact ND1-CB 3.49Å; H179-A215 PolarHBondContact ND1-N 3.26Å; H179-D218 IonicContact CE1-OD2 2.78Å; H179-D218 PolarHBondContact CE1-OD2 3.45Å; H179-D218 VanDerWaalsContact CE1-OD2 3.23Å; H179-D218 IonicContact NE2-OD2 2.69Å
180	G	91	Very high	89.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-43.1	179.8	0	0	0	0	0	113.1	C147 Q176 I177 L178 V182 K183 A184	C147-G180 WeakPolarHBondContact O-CA 3.46Å; Q176-G180 PolarHBondContact O-N 3.29Å; I177-G180 PolarHBondContact O-N 2.95Å; L178-G180 VanDerWaalsContact C-N 3.34Å; L178-G180 PolarHBondContact O-N 3.02Å; G180-V182 VanDerWaalsContact C-N 3.33Å; G180-V182 PolarHBondContact O-N 2.92Å; G180-K183 PolarHBondContact O-N 3.16Å; G180-A184 VanDerWaalsContact O-CB 3.31Å; G180-A184 WeakPolarHBondContact O-CB 3.47Å; G180-A184 PolarHBondContact O-N 3.19Å
181	Y	93.8	Very high	89.5	Confident	30 Å²	30	44.5 Å²	44.5	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-39.6	176.2	-73.3	-53.3	0	0	0	112.6	M152 I177 L178 A184 G185 L186 E189 T193	M152-Y181 HydrophobicContact CE-CD1 3.68Å; M152-Y181 HydrophobicContact CE-CD2 4.22Å; M152-Y181 HydrophobicContact CE-CE1 3.62Å; M152-Y181 HydrophobicContact CE-CE2 4.16Å; M152-Y181 HydrophobicContact CE-CG 4Å; M152-Y181 HydrophobicContact CG-CD1 3.98Å; M152-Y181 HydrophobicContact CG-CE1 4.2Å; M152-Y181 HydrophobicContact SD-CD1 4.3Å; I177-Y181 HydrophobicContact CG2-CD2 3.63Å; I177-Y181 HydrophobicContact CG2-CE2 3.22Å; I177-Y181 VanDerWaalsContact O-CD2 3.31Å; I177-Y181 WeakPolarHBondContact O-CD2 3.38Å; I177-Y181 PolarHBondContact O-N 3.43Å; L178-Y181 PolarHBondContact O-N 3.02Å; Y181-A184 PolarHBondContact O-N 3.11Å; Y181-G185 PolarHBondContact O-N 2.94Å; Y181-L186 HydrophobicContact CD1-CB 4.21Å; Y181-L186 HydrophobicContact CD1-CD1 4.07Å; Y181-L186 HydrophobicContact CE1-CD1 4.49Å; Y181-L186 PolarHBondContact O-N 3.33Å; Y181-E189 HydrophobicContact CD1-CB 3.4Å; Y181-E189 HydrophobicContact CD1-CG 3.91Å; Y181-E189 HydrophobicContact CD2-CB 4.02Å; Y181-E189 HydrophobicContact CE1-CB 3.47Å; Y181-E189 VanDerWaalsContact CE1-CB 3.47Å; Y181-E189 HydrophobicContact CE1-CG 3.68Å; Y181-E189 HydrophobicContact CE2-CB 4.08Å; Y181-E189 HydrophobicContact CG-CB 3.68Å; Y181-E189 PolarHBondContact OH-OE2 3.06Å; Y181-E189 VanDerWaalsContact OH-OE2 3.13Å; Y181-T193 WeakPolarHBondContact CE2-OG1 3.41Å
182	V	92.2	Very high	89.8	Confident	15 Å²	15	40 Å²	40	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-45.6	172.8	172.8	0	0	0	0	111	L178 H179 G180 A184 G185 V190 L212 A215 Y216 I219	L178-V182 WeakPolarHBondContact O-CG2 3.46Å; L178-V182 PolarHBondContact O-N 3.4Å; H179-V182 PolarHBondContact O-N 3Å; G180-V182 VanDerWaalsContact C-N 3.33Å; G180-V182 PolarHBondContact O-N 2.92Å; V182-A184 VanDerWaalsContact C-N 3.26Å; V182-A184 PolarHBondContact O-N 3.35Å; V182-G185 PolarHBondContact O-N 3.08Å; V182-G185 VanDerWaalsContact O-N 3.12Å; V182-V190 HydrophobicContact CG2-CG2 3.79Å; V182-L212 HydrophobicContact CG2-CD2 3.79Å; V182-A215 HydrophobicContact CB-CB 3.6Å; V182-A215 HydrophobicContact CG1-CB 3.55Å; V182-A215 HydrophobicContact CG2-CB 4.26Å; V182-Y216 HydrophobicContact CG1-CD1 3.73Å; V182-Y216 HydrophobicContact CG1-CE1 3.71Å; V182-Y216 HydrophobicContact CG1-CG 4.42Å; V182-Y216 HydrophobicContact CG2-CE1 4.21Å; V182-I219 HydrophobicContact CG1-CD1 3.91Å
183	K	90.2	Very high	89.9	Confident	60 Å²	60	38.9 Å²	38.9	26%	0.261	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-32.9	176.3	-71.2	-63.6	-61.4	178.6	0	113	H179 G180 G185 D218 I219	H179-K183 WeakPolarHBondContact O-CG 3.44Å; H179-K183 PolarHBondContact O-N 3.26Å; G180-K183 PolarHBondContact O-N 3.16Å; K183-G185 VanDerWaalsContact C-N 3.3Å; K183-D218 HydrophobicContact CD-CB 4.17Å; K183-D218 PolarHBondContact NZ-O 3.47Å; K183-I219 HydrophobicContact CD-CG2 3.69Å
184	A	91	Very high	89.9	Confident	38 Å²	38	41 Å²	41	31%	0.314	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.7	178.2	0	0	0	0	0	113.5	G150 M152 G180 Y181 V182 L186	G150-A184 WeakPolarHBondContact O-CB 3.23Å; M152-A184 HydrophobicContact CG-CB 3.92Å; G180-A184 VanDerWaalsContact O-CB 3.31Å; G180-A184 WeakPolarHBondContact O-CB 3.47Å; G180-A184 PolarHBondContact O-N 3.19Å; Y181-A184 PolarHBondContact O-N 3.11Å; V182-A184 VanDerWaalsContact C-N 3.26Å; V182-A184 PolarHBondContact O-N 3.35Å; A184-L186 HydrophobicContact CB-CD1 3.9Å; A184-L186 HydrophobicContact CB-CG 4.01Å
185	G	90.4	Very high	90	Very high	58 Å²	58	45.2 Å²	45.2	60%	0.598	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	33.2	-176	0	0	0	0	0	113.7	Y181 V182 K183 P187	Y181-G185 PolarHBondContact O-N 2.94Å; V182-G185 PolarHBondContact O-N 3.08Å; V182-G185 VanDerWaalsContact O-N 3.12Å; K183-G185 VanDerWaalsContact C-N 3.3Å; G185-P187 WeakPolarHBondContact O-CD 3.41Å
186	L	90	Very high	89.8	Confident	73 Å²	73	48.6 Å²	48.6	38%	0.382	27%	0.274	S	S	.	.			trans	-112	72.4	-177.2	-62.3	173.8	0	0	0	111.4	M152 Y181 A184 E188 E189 V190	M152-L186 HydrophobicContact CG-CD1 4.4Å; Y181-L186 HydrophobicContact CD1-CB 4.21Å; Y181-L186 HydrophobicContact CD1-CD1 4.07Å; Y181-L186 HydrophobicContact CE1-CD1 4.49Å; Y181-L186 PolarHBondContact O-N 3.33Å; A184-L186 HydrophobicContact CB-CD1 3.9Å; A184-L186 HydrophobicContact CB-CG 4.01Å; L186-E188 VanDerWaalsContact C-N 3.31Å; L186-E188 PolarHBondContact O-N 3.02Å; L186-E189 HydrophobicContact CB-CB 4.11Å; L186-E189 HydrophobicContact CB-CG 3.99Å; L186-E189 HydrophobicContact CD1-CG 4.41Å; L186-E189 PolarHBondContact O-N 2.9Å; L186-V190 PolarHBondContact O-N 3.39Å
187	P	85.1	Confident	89.6	Confident	91 Å²	91	48 Å²	48	59%	0.591	27%	0.271	S	S	*	.	H	α-helix	trans	-67.6	-27.3	-175.7	28.1	-36.1	0	0	0	114	G185 E189 V190 S191	G185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-E189 VanDerWaalsContact C-N 3.33Å; P187-V190 WeakPolarHBondContact O-CB 3.02Å; P187-V190 PolarHBondContact O-N 2.92Å; P187-S191 PolarHBondContact O-N 3.33Å; P187-S191 VanDerWaalsContact O-N 3.14Å; P187-S191 PolarHBondContact O-OG 2.67Å; P187-S191 VanDerWaalsContact O-OG 3.13Å
188	E	87.4	Confident	89.4	Confident	158 Å²	158	50.7 Å²	50.7	74%	0.738	29%	0.291	S	S	*	.	H	α-helix	trans	-65.2	-38.9	176.1	-64	-179.2	178.9	0	0	111.5	L186 V190 S191 S192	L186-E188 VanDerWaalsContact C-N 3.31Å; L186-E188 PolarHBondContact O-N 3.02Å; E188-V190 VanDerWaalsContact C-N 3.33Å; E188-S191 PolarHBondContact O-N 3.4Å; E188-S192 WeakPolarHBondContact O-CB 3.39Å; E188-S192 PolarHBondContact O-N 2.72Å; E188-S192 PolarHBondContact O-OG 3.06Å
189	E	91.2	Very high	89.1	Confident	82 Å²	82	58.2 Å²	58.2	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-68.2	-33.7	175.5	-67	-68.8	146.3	0	0	111.9	Y181 L186 P187 T193	Y181-E189 HydrophobicContact CD1-CB 3.4Å; Y181-E189 HydrophobicContact CD1-CG 3.91Å; Y181-E189 HydrophobicContact CD2-CB 4.02Å; Y181-E189 HydrophobicContact CE1-CB 3.47Å; Y181-E189 VanDerWaalsContact CE1-CB 3.47Å; Y181-E189 HydrophobicContact CE1-CG 3.68Å; Y181-E189 HydrophobicContact CE2-CB 4.08Å; Y181-E189 HydrophobicContact CG-CB 3.68Å; Y181-E189 PolarHBondContact OH-OE2 3.06Å; Y181-E189 VanDerWaalsContact OH-OE2 3.13Å; L186-E189 HydrophobicContact CB-CB 4.11Å; L186-E189 HydrophobicContact CB-CG 3.99Å; L186-E189 HydrophobicContact CD1-CG 4.41Å; L186-E189 PolarHBondContact O-N 2.9Å; P187-E189 VanDerWaalsContact C-N 3.33Å; E189-T193 WeakPolarHBondContact O-CB 3.25Å; E189-T193 PolarHBondContact O-N 3Å; E189-T193 PolarHBondContact O-OG1 3.18Å
190	V	90.1	Very high	88.7	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.036	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-49.8	172.5	175.4	0	0	0	0	110	L178 V182 L186 P187 E188 T193 Q194 L212	L178-V190 HydrophobicContact CD2-CG1 4.17Å; V182-V190 HydrophobicContact CG2-CG2 3.79Å; L186-V190 PolarHBondContact O-N 3.39Å; P187-V190 WeakPolarHBondContact O-CB 3.02Å; P187-V190 PolarHBondContact O-N 2.92Å; E188-V190 VanDerWaalsContact C-N 3.33Å; V190-T193 PolarHBondContact O-N 3.01Å; V190-Q194 WeakPolarHBondContact O-CG 3.44Å; V190-Q194 PolarHBondContact O-N 3.04Å; V190-L212 HydrophobicContact CG1-CD2 3.76Å
191	S	89	Confident	88.2	Confident	60 Å²	60	66.2 Å²	66.2	42%	0.42	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-47.2	-179.2	-52.6	0	0	0	0	111.4	P187 E188 T193 Q194 E195	P187-S191 PolarHBondContact O-N 3.33Å; P187-S191 VanDerWaalsContact O-N 3.14Å; P187-S191 PolarHBondContact O-OG 2.67Å; P187-S191 VanDerWaalsContact O-OG 3.13Å; E188-S191 PolarHBondContact O-N 3.4Å; S191-T193 VanDerWaalsContact C-N 3.32Å; S191-T193 PolarHBondContact O-N 3.42Å; S191-Q194 WeakPolarHBondContact O-CB 3.19Å; S191-Q194 PolarHBondContact O-N 2.81Å; S191-Q194 VanDerWaalsContact O-N 3.16Å; S191-E195 PolarHBondContact O-N 3.22Å
192	S	89.6	Confident	87.5	Confident	53 Å²	53	66.9 Å²	66.9	37%	0.371	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-40.7	176.4	-56	0	0	0	0	112	E188 E195 I196	E188-S192 WeakPolarHBondContact O-CB 3.39Å; E188-S192 PolarHBondContact O-N 2.72Å; E188-S192 PolarHBondContact O-OG 3.06Å; S192-E195 PolarHBondContact O-N 3.02Å; S192-I196 VanDerWaalsContact O-CG1 3.29Å; S192-I196 WeakPolarHBondContact O-CG1 3.37Å; S192-I196 PolarHBondContact O-N 2.7Å
193	T	87.4	Confident	86.9	Confident	13 Å²	13	68 Å²	68	8%	0.08	39%	0.389	C	S	.	.	H	α-helix	trans	-67.5	-38.5	176.7	-58.9	0	0	0	0	111.6	L178 Y181 E189 V190 S191 E195 I196 L197	L178-T193 HydrophobicContact CD2-CG2 3.66Å; L178-T193 HydrophobicContact CG-CG2 4.12Å; Y181-T193 WeakPolarHBondContact CE2-OG1 3.41Å; E189-T193 WeakPolarHBondContact O-CB 3.25Å; E189-T193 PolarHBondContact O-N 3Å; E189-T193 PolarHBondContact O-OG1 3.18Å; V190-T193 PolarHBondContact O-N 3.01Å; S191-T193 VanDerWaalsContact C-N 3.32Å; S191-T193 PolarHBondContact O-N 3.42Å; T193-E195 VanDerWaalsContact C-N 3.34Å; T193-I196 PolarHBondContact O-N 2.93Å; T193-L197 HydrophobicContact CG2-CD1 4.15Å; T193-L197 HydrophobicContact CG2-CG 4.36Å; T193-L197 WeakPolarHBondContact O-CB 3.43Å; T193-L197 VanDerWaalsContact O-CG 3.26Å; T193-L197 WeakPolarHBondContact O-CG 3.48Å; T193-L197 PolarHBondContact O-N 2.99Å
194	Q	88.7	Confident	86.4	Confident	46 Å²	46	67.2 Å²	67.2	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-61.6	-41.9	174.2	-74.1	174.5	-52.8	0	0	111.5	L178 V190 S191 L197 S198 W203	L178-Q194 HydrophobicContact CD2-CG 4.36Å; V190-Q194 WeakPolarHBondContact O-CG 3.44Å; V190-Q194 PolarHBondContact O-N 3.04Å; S191-Q194 WeakPolarHBondContact O-CB 3.19Å; S191-Q194 PolarHBondContact O-N 2.81Å; S191-Q194 VanDerWaalsContact O-N 3.16Å; Q194-L197 PolarHBondContact O-N 3.07Å; Q194-S198 WeakPolarHBondContact O-CB 3.25Å; Q194-S198 PolarHBondContact O-N 3.01Å; Q194-W203 HydrophobicContact CG-CD2 4.34Å; Q194-W203 HydrophobicContact CG-CE3 4.23Å; Q194-W203 HydrophobicContact CG-CH2 4.22Å; Q194-W203 HydrophobicContact CG-CZ2 4.31Å; Q194-W203 HydrophobicContact CG-CZ3 4.16Å
195	E	88.6	Confident	86	Confident	125 Å²	125	66.3 Å²	66.3	58%	0.584	38%	0.382	S	S	*	.	H	α-helix	trans	-61.7	-46.1	174.9	-71.3	178.7	-170.1	0	0	112	S191 S192 T193 L197 S198 Q199	S191-E195 PolarHBondContact O-N 3.22Å; S192-E195 PolarHBondContact O-N 3.02Å; T193-E195 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.47Å; E195-S198 WeakPolarHBondContact O-CB 3.5Å; E195-S198 PolarHBondContact O-N 3.49Å; E195-S198 VanDerWaalsContact O-N 3.17Å; E195-Q199 WeakPolarHBondContact O-CG 3.09Å; E195-Q199 PolarHBondContact O-N 3.1Å
196	I	86.1	Confident	85.8	Confident	78 Å²	78	65.7 Å²	65.7	40%	0.4	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-45.5	176.5	-67.4	165.8	0	0	0	110.7	S192 T193 S198 Q199 M200	S192-I196 VanDerWaalsContact O-CG1 3.29Å; S192-I196 WeakPolarHBondContact O-CG1 3.37Å; S192-I196 PolarHBondContact O-N 2.7Å; T193-I196 PolarHBondContact O-N 2.93Å; I196-S198 VanDerWaalsContact C-N 3.28Å; I196-S198 PolarHBondContact O-N 2.93Å; I196-Q199 PolarHBondContact O-N 3.16Å; I196-M200 HydrophobicContact CG2-CE 3.61Å; I196-M200 HydrophobicContact CG2-SD 4.18Å; I196-M200 WeakPolarHBondContact O-CG 3.39Å; I196-M200 PolarHBondContact O-N 3.42Å
197	L	85	Confident	85.5	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-35.2	177.3	-70.9	174.3	0	0	0	111.9	F174 L178 T193 Q194 E195 M200 G201 L202 W203	F174-L197 HydrophobicContact CB-CD1 4.36Å; F174-L197 HydrophobicContact CB-CD2 3.98Å; F174-L197 HydrophobicContact CD1-CD2 3.77Å; F174-L197 HydrophobicContact CD2-CD2 3.92Å; F174-L197 HydrophobicContact CE1-CD2 4.16Å; F174-L197 HydrophobicContact CE2-CD2 4.3Å; F174-L197 HydrophobicContact CG-CD2 3.64Å; F174-L197 HydrophobicContact CZ-CD2 4.4Å; L178-L197 HydrophobicContact CD1-CD1 3.94Å; T193-L197 HydrophobicContact CG2-CD1 4.15Å; T193-L197 HydrophobicContact CG2-CG 4.36Å; T193-L197 WeakPolarHBondContact O-CB 3.43Å; T193-L197 VanDerWaalsContact O-CG 3.26Å; T193-L197 WeakPolarHBondContact O-CG 3.48Å; T193-L197 PolarHBondContact O-N 2.99Å; Q194-L197 PolarHBondContact O-N 3.07Å; E195-L197 PolarHBondContact O-N 3.47Å; L197-M200 PolarHBondContact O-N 3.02Å; L197-G201 PolarHBondContact O-N 3.22Å; L197-L202 HydrophobicContact CB-CB 4.38Å; L197-L202 HydrophobicContact CD2-CB 3.95Å; L197-L202 HydrophobicContact CD2-CD1 4.15Å; L197-L202 CarbonylContact O-C 3.55Å; L197-L202 WeakPolarHBondContact O-CA 3.42Å; L197-L202 PolarHBondContact O-N 2.92Å; L197-W203 HydrophobicContact CB-CB 3.71Å; L197-W203 PolarHBondContact O-N 3.21Å; L197-W203 VanDerWaalsContact O-N 3.13Å
198	S	86.9	Confident	85.5	Confident	68 Å²	68	62.5 Å²	62.5	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-64.3	-47.4	175.2	-175	0	0	0	0	111	Q194 E195 I196 M200 G201	Q194-S198 WeakPolarHBondContact O-CB 3.25Å; Q194-S198 PolarHBondContact O-N 3.01Å; E195-S198 WeakPolarHBondContact O-CB 3.5Å; E195-S198 PolarHBondContact O-N 3.49Å; E195-S198 VanDerWaalsContact O-N 3.17Å; I196-S198 VanDerWaalsContact C-N 3.28Å; I196-S198 PolarHBondContact O-N 2.93Å; S198-M200 PolarHBondContact O-N 3.42Å; S198-G201 PolarHBondContact O-N 3.13Å
199	Q	86.3	Confident	85.7	Confident	159 Å²	159	55 Å²	55	74%	0.743	30%	0.302	S	S	*	.	H	α-helix	trans	-60.4	-31.5	175.2	-68.9	173.1	9.9	0	0	112.8	E195 I196 G201	E195-Q199 WeakPolarHBondContact O-CG 3.09Å; E195-Q199 PolarHBondContact O-N 3.1Å; I196-Q199 PolarHBondContact O-N 3.16Å; Q199-G201 VanDerWaalsContact C-N 3.31Å
200	M	82.6	Confident	85.6	Confident	112 Å²	112	53.1 Å²	53.1	55%	0.552	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.7	175.9	-67.3	-178.6	-177.1	0	0	114	F174 I196 L197 S198 L202	F174-M200 HydrophobicContact CZ-SD 4.49Å; I196-M200 HydrophobicContact CG2-CE 3.61Å; I196-M200 HydrophobicContact CG2-SD 4.18Å; I196-M200 WeakPolarHBondContact O-CG 3.39Å; I196-M200 PolarHBondContact O-N 3.42Å; L197-M200 PolarHBondContact O-N 3.02Å; S198-M200 PolarHBondContact O-N 3.42Å; M200-L202 HydrophobicContact CB-CB 4.49Å; M200-L202 HydrophobicContact CB-CD1 4.05Å; M200-L202 HydrophobicContact CB-CG 4.02Å; M200-L202 PolarHBondContact O-N 2.97Å; M200-L202 HydrophobicContact SD-CD1 4.45Å
201	G	81.2	Confident	85.6	Confident	62 Å²	62	53 Å²	53	64%	0.639	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	25	-174.1	0	0	0	0	0	113.6	L197 S198 Q199	L197-G201 PolarHBondContact O-N 3.22Å; S198-G201 PolarHBondContact O-N 3.13Å; Q199-G201 VanDerWaalsContact C-N 3.31Å
202	L	78	Confident	85.8	Confident	44 Å²	44	50.2 Å²	50.2	23%	0.23	27%	0.273	C	S	.	.			trans	-107.8	-3.4	179.8	-62.3	178.9	0	0	0	113	R171 F174 L197 M200 S205	R171-L202 HydrophobicContact CG-CD2 4.49Å; F174-L202 HydrophobicContact CD2-CD1 4.35Å; F174-L202 HydrophobicContact CE2-CD1 4.05Å; L197-L202 HydrophobicContact CB-CB 4.38Å; L197-L202 HydrophobicContact CD2-CB 3.95Å; L197-L202 HydrophobicContact CD2-CD1 4.15Å; L197-L202 CarbonylContact O-C 3.55Å; L197-L202 WeakPolarHBondContact O-CA 3.42Å; L197-L202 PolarHBondContact O-N 2.92Å; M200-L202 HydrophobicContact CB-CB 4.49Å; M200-L202 HydrophobicContact CB-CD1 4.05Å; M200-L202 HydrophobicContact CB-CG 4.02Å; M200-L202 PolarHBondContact O-N 2.97Å; M200-L202 HydrophobicContact SD-CD1 4.45Å; L202-S205 WeakPolarHBondContact O-CB 3.45Å; L202-S205 PolarHBondContact O-OG 3.11Å; L202-S205 VanDerWaalsContact O-OG 3.09Å
203	W	79.3	Confident	86	Confident	39 Å²	39	47.7 Å²	47.7	15%	0.148	26%	0.255	C	S	.	.			trans	-125.9	142	171.9	-178.2	-87.8	0	0	0	110.1	L178 Q194 L197 A208 Y209 L212	L178-W203 HydrophobicContact CD1-CZ3 4.45Å; Q194-W203 HydrophobicContact CG-CD2 4.34Å; Q194-W203 HydrophobicContact CG-CE3 4.23Å; Q194-W203 HydrophobicContact CG-CH2 4.22Å; Q194-W203 HydrophobicContact CG-CZ2 4.31Å; Q194-W203 HydrophobicContact CG-CZ3 4.16Å; L197-W203 HydrophobicContact CB-CB 3.71Å; L197-W203 PolarHBondContact O-N 3.21Å; L197-W203 VanDerWaalsContact O-N 3.13Å; W203-A208 HydrophobicContact CE3-CB 3.61Å; W203-A208 HydrophobicContact CZ3-CB 3.47Å; W203-A208 VanDerWaalsContact CZ3-CB 3.47Å; W203-Y209 AromaticContact CH2-CD1 3.96Å; W203-Y209 HydrophobicContact CH2-CD1 3.96Å; W203-Y209 AromaticContact CH2-CE1 3.65Å; W203-Y209 HydrophobicContact CH2-CE1 3.65Å; W203-Y209 HydrophobicContact CH2-CE2 4.26Å; W203-Y209 HydrophobicContact CH2-CG 4.38Å; W203-Y209 AromaticContact CH2-CZ 3.81Å; W203-Y209 AromaticContact CZ2-CE1 3.83Å; W203-Y209 HydrophobicContact CZ2-CE1 3.83Å; W203-Y209 HydrophobicContact CZ2-CE2 4.3Å; W203-Y209 AromaticContact CZ2-CZ 3.66Å; W203-L212 HydrophobicContact CH2-CD1 3.89Å; W203-L212 HydrophobicContact CZ3-CD1 4.17Å
204	P	81.2	Confident	86.1	Confident	43 Å²	43	47.8 Å²	47.8	28%	0.279	26%	0.257	S	S	.	.	S	Bend	cis	-67.5	146.5	-6.8	19.1	-24	0	0	0	112.8	Y209 V235 I239	P204-Y209 HydrophobicContact CB-CE2 3.84Å; P204-V235 HydrophobicContact CB-CG1 3.59Å; P204-V235 HydrophobicContact CG-CG1 3.43Å; P204-V235 VanDerWaalsContact CG-CG1 3.43Å; P204-I239 HydrophobicContact CB-CD1 3.56Å; P204-I239 HydrophobicContact CG-CD1 3.4Å; P204-I239 VanDerWaalsContact CG-CD1 3.4Å; P204-I239 HydrophobicContact CG-CG1 3.89Å
205	S	82.7	Confident	86.2	Confident	19 Å²	19	45.6 Å²	45.6	13%	0.133	25%	0.246	C	C	.	.			trans	-145.4	146	173.6	70.5	0	0	0	0	112.8	L202 F207 A208 Y209	L202-S205 WeakPolarHBondContact O-CB 3.45Å; L202-S205 PolarHBondContact O-OG 3.11Å; L202-S205 VanDerWaalsContact O-OG 3.09Å; S205-F207 PolarHBondContact O-N 2.87Å; S205-A208 PolarHBondContact O-N 3.1Å; S205-A208 VanDerWaalsContact O-N 3.16Å; S205-A208 VanDerWaalsContact OG-CB 3.24Å; S205-A208 WeakPolarHBondContact OG-CB 3.27Å; S205-A208 PolarHBondContact OG-N 2.73Å; S205-Y209 WeakPolarHBondContact O-CD2 3.3Å; S205-Y209 PolarHBondContact O-N 2.85Å; S205-Y209 VanDerWaalsContact O-N 3.11Å
206	K	84.8	Confident	86.5	Confident	45 Å²	45	41.2 Å²	41.2	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-52.8	-53.6	178	179.4	169.4	173.9	164.7	0	111.5	A208 Y209 E210 L236 Q249	K206-A208 VanDerWaalsContact C-N 3.27Å; K206-A208 PolarHBondContact O-N 3.26Å; K206-Y209 PolarHBondContact O-N 3.25Å; K206-Y209 VanDerWaalsContact O-N 3.17Å; K206-E210 WeakPolarHBondContact CE-OE1 3.45Å; K206-E210 HydrophobicContact CG-CG 4.16Å; K206-E210 VanDerWaalsContact O-CG 3.28Å; K206-E210 WeakPolarHBondContact O-CG 3.37Å; K206-E210 PolarHBondContact O-N 3.03Å; K206-L236 HydrophobicContact CB-CD1 4.5Å; K206-L236 HydrophobicContact CB-CD2 4.13Å; K206-Q249 PolarHBondContact NZ-O 3.3Å
207	F	83.4	Confident	86.7	Confident	95 Å²	95	37.5 Å²	37.5	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-54.4	-41.1	179.4	-73.8	-80.3	0	0	0	113.3	R171 S175 S205 E210 G211	R171-F207 HydrophobicContact CB-CD2 4.37Å; S175-F207 WeakPolarHBondContact CB-O 3.4Å; S175-F207 PolarHBondContact OG-O 3.1Å; S175-F207 VanDerWaalsContact OG-O 3.07Å; S205-F207 PolarHBondContact O-N 2.87Å; F207-E210 PolarHBondContact O-N 3.31Å; F207-G211 PolarHBondContact O-N 3.29Å
208	A	86.9	Confident	86.8	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-44.2	-179.6	0	0	0	0	0	111.6	L178 W203 S205 K206 G211 L212	L178-A208 HydrophobicContact CD1-CB 3.71Å; W203-A208 HydrophobicContact CE3-CB 3.61Å; W203-A208 HydrophobicContact CZ3-CB 3.47Å; W203-A208 VanDerWaalsContact CZ3-CB 3.47Å; S205-A208 PolarHBondContact O-N 3.1Å; S205-A208 VanDerWaalsContact O-N 3.16Å; S205-A208 VanDerWaalsContact OG-CB 3.24Å; S205-A208 WeakPolarHBondContact OG-CB 3.27Å; S205-A208 PolarHBondContact OG-N 2.73Å; K206-A208 VanDerWaalsContact C-N 3.27Å; K206-A208 PolarHBondContact O-N 3.26Å; A208-G211 PolarHBondContact O-N 3.35Å; A208-L212 PolarHBondContact O-N 3.44Å; A208-L212 VanDerWaalsContact O-N 3.14Å
209	Y	91.1	Very high	86.9	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-44.1	171.8	-77.4	-66.5	0	0	0	112.3	W203 P204 S205 K206 G211 L212 L213 T228 E231 A232 L236	W203-Y209 AromaticContact CH2-CD1 3.96Å; W203-Y209 HydrophobicContact CH2-CD1 3.96Å; W203-Y209 AromaticContact CH2-CE1 3.65Å; W203-Y209 HydrophobicContact CH2-CE1 3.65Å; W203-Y209 HydrophobicContact CH2-CE2 4.26Å; W203-Y209 HydrophobicContact CH2-CG 4.38Å; W203-Y209 AromaticContact CH2-CZ 3.81Å; W203-Y209 AromaticContact CZ2-CE1 3.83Å; W203-Y209 HydrophobicContact CZ2-CE1 3.83Å; W203-Y209 HydrophobicContact CZ2-CE2 4.3Å; W203-Y209 AromaticContact CZ2-CZ 3.66Å; P204-Y209 HydrophobicContact CB-CE2 3.84Å; S205-Y209 WeakPolarHBondContact O-CD2 3.3Å; S205-Y209 PolarHBondContact O-N 2.85Å; S205-Y209 VanDerWaalsContact O-N 3.11Å; K206-Y209 PolarHBondContact O-N 3.25Å; K206-Y209 VanDerWaalsContact O-N 3.17Å; Y209-G211 VanDerWaalsContact C-N 3.26Å; Y209-G211 PolarHBondContact O-N 3.45Å; Y209-L212 PolarHBondContact O-N 3.42Å; Y209-L213 WeakPolarHBondContact O-CB 3.3Å; Y209-L213 WeakPolarHBondContact O-CG 3.33Å; Y209-L213 PolarHBondContact O-N 3.04Å; Y209-T228 HydrophobicContact CD1-CG2 3.92Å; Y209-T228 HydrophobicContact CE1-CG2 4.43Å; Y209-E231 HydrophobicContact CE1-CG 4.29Å; Y209-E231 PolarHBondContact OH-OE1 2.72Å; Y209-A232 HydrophobicContact CD1-CB 3.79Å; Y209-A232 HydrophobicContact CD2-CB 4.13Å; Y209-A232 HydrophobicContact CE1-CB 4.23Å; Y209-A232 HydrophobicContact CG-CB 3.75Å; Y209-L236 HydrophobicContact CD2-CD1 4.43Å; Y209-L236 HydrophobicContact CD2-CD2 3.89Å; Y209-L236 HydrophobicContact CD2-CG 4.13Å; Y209-L236 HydrophobicContact CE2-CD2 4.2Å; Y209-L236 HydrophobicContact CE2-CG 4.38Å
210	E	89.7	Confident	87.1	Confident	43 Å²	43	31.6 Å²	31.6	20%	0.201	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-36.5	178	-63.8	-173.8	163.5	0	0	112.1	K206 F207 S214 I250 L254	K206-E210 WeakPolarHBondContact CE-OE1 3.45Å; K206-E210 HydrophobicContact CG-CG 4.16Å; K206-E210 VanDerWaalsContact O-CG 3.28Å; K206-E210 WeakPolarHBondContact O-CG 3.37Å; K206-E210 PolarHBondContact O-N 3.03Å; F207-E210 PolarHBondContact O-N 3.31Å; E210-S214 VanDerWaalsContact O-CB 3.29Å; E210-S214 WeakPolarHBondContact O-CB 3.1Å; E210-S214 PolarHBondContact O-N 3.12Å; E210-S214 PolarHBondContact O-OG 2.89Å; E210-I250 HydrophobicContact CG-CD1 4.21Å; E210-L254 HydrophobicContact CB-CD2 3.86Å; E210-L254 HydrophobicContact CG-CD2 3.31Å
211	G	88.9	Confident	87.5	Confident	2 Å²	2	28.6 Å²	28.6	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-51.5	174.3	0	0	0	0	0	112.5	S175 H179 F207 A208 Y209 S214 A215	S175-G211 WeakPolarHBondContact OG-CA 3.16Å; H179-G211 PolarHBondContact ND1-O 3.22Å; F207-G211 PolarHBondContact O-N 3.29Å; A208-G211 PolarHBondContact O-N 3.35Å; Y209-G211 VanDerWaalsContact C-N 3.26Å; Y209-G211 PolarHBondContact O-N 3.45Å; G211-S214 PolarHBondContact O-N 3.01Å; G211-A215 PolarHBondContact O-N 3.1Å
212	L	92.7	Very high	88.1	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-49.7	177.7	-70.4	172.5	0	0	0	111.8	L178 V182 V190 W203 A208 Y209 S214 A215 Y216 T228	L178-L212 HydrophobicContact CB-CD2 3.97Å; L178-L212 HydrophobicContact CB-CG 4.29Å; L178-L212 HydrophobicContact CD1-CG 4.47Å; L178-L212 HydrophobicContact CD2-CD2 4.45Å; V182-L212 HydrophobicContact CG2-CD2 3.79Å; V190-L212 HydrophobicContact CG1-CD2 3.76Å; W203-L212 HydrophobicContact CH2-CD1 3.89Å; W203-L212 HydrophobicContact CZ3-CD1 4.17Å; A208-L212 PolarHBondContact O-N 3.44Å; A208-L212 VanDerWaalsContact O-N 3.14Å; Y209-L212 PolarHBondContact O-N 3.42Å; L212-S214 VanDerWaalsContact C-N 3.32Å; L212-S214 PolarHBondContact O-N 3.33Å; L212-A215 WeakPolarHBondContact O-CB 3.3Å; L212-A215 PolarHBondContact O-N 3.27Å; L212-A215 VanDerWaalsContact O-N 3.08Å; L212-Y216 HydrophobicContact CB-CD2 4.47Å; L212-Y216 HydrophobicContact CB-CE2 4.18Å; L212-Y216 WeakPolarHBondContact O-CD2 3.28Å; L212-Y216 PolarHBondContact O-N 3.46Å; L212-T228 HydrophobicContact CB-CG2 4.18Å
213	L	93.9	Very high	88.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-45.6	178.4	-72	169.7	0	0	0	111.9	Y209 A215 Y216 A217 L225 T228 L229 I250 L258	Y209-L213 WeakPolarHBondContact O-CB 3.3Å; Y209-L213 WeakPolarHBondContact O-CG 3.33Å; Y209-L213 PolarHBondContact O-N 3.04Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.02Å; L213-Y216 PolarHBondContact O-N 2.97Å; L213-A217 WeakPolarHBondContact O-CB 3.42Å; L213-A217 PolarHBondContact O-N 2.96Å; L213-L225 HydrophobicContact CD2-CG 4.22Å; L213-L225 WeakPolarHBondContact CD2-O 3.1Å; L213-T228 HydrophobicContact CD2-CG2 4.02Å; L213-T228 HydrophobicContact CG-CG2 4.18Å; L213-L229 HydrophobicContact CD1-CD1 3.92Å; L213-L229 HydrophobicContact CD2-CB 3.74Å; L213-L229 HydrophobicContact CD2-CD1 4.26Å; L213-I250 HydrophobicContact CD1-CD1 4.12Å; L213-L258 VanDerWaalsContact C-CD2 3.47Å; L213-L258 HydrophobicContact CB-CD1 3.86Å; L213-L258 HydrophobicContact CB-CD2 3.87Å; L213-L258 HydrophobicContact CD1-CD1 4.15Å; L213-L258 HydrophobicContact CG-CD1 4.45Å; L213-L258 WeakPolarHBondContact O-CD2 3.23Å
214	S	90.4	Very high	89.5	Confident	15 Å²	15	31.3 Å²	31.3	11%	0.105	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-36.8	177.9	-58.9	0	0	0	0	111.7	E210 G211 L212 A217 D218	E210-S214 VanDerWaalsContact O-CB 3.29Å; E210-S214 WeakPolarHBondContact O-CB 3.1Å; E210-S214 PolarHBondContact O-N 3.12Å; E210-S214 PolarHBondContact O-OG 2.89Å; G211-S214 PolarHBondContact O-N 3.01Å; L212-S214 VanDerWaalsContact C-N 3.32Å; L212-S214 PolarHBondContact O-N 3.33Å; S214-A217 PolarHBondContact O-N 3.16Å; S214-D218 WeakPolarHBondContact O-CB 3.36Å; S214-D218 PolarHBondContact O-N 2.9Å
215	A	91	Very high	90.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.4	-46.3	179.2	0	0	0	0	0	112	H179 V182 G211 L212 L213 A217 D218 I219	H179-A215 HydrophobicContact CB-CB 4.1Å; H179-A215 VanDerWaalsContact CE1-CA 3.45Å; H179-A215 WeakPolarHBondContact CE1-CA 3.35Å; H179-A215 PolarHBondContact CE1-N 2.9Å; H179-A215 WeakPolarHBondContact ND1-CB 3.49Å; H179-A215 PolarHBondContact ND1-N 3.26Å; V182-A215 HydrophobicContact CB-CB 3.6Å; V182-A215 HydrophobicContact CG1-CB 3.55Å; V182-A215 HydrophobicContact CG2-CB 4.26Å; G211-A215 PolarHBondContact O-N 3.1Å; L212-A215 WeakPolarHBondContact O-CB 3.3Å; L212-A215 PolarHBondContact O-N 3.27Å; L212-A215 VanDerWaalsContact O-N 3.08Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.02Å; A215-A217 VanDerWaalsContact C-N 3.27Å; A215-A217 PolarHBondContact O-N 3.5Å; A215-D218 PolarHBondContact O-N 3.43Å; A215-D218 VanDerWaalsContact O-N 3.15Å; A215-I219 WeakPolarHBondContact O-CG1 3.2Å; A215-I219 PolarHBondContact O-N 3.46Å
216	Y	94	Very high	90.7	Very high	33 Å²	33	29.3 Å²	29.3	13%	0.129	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-39	174.4	-67.5	-53.6	0	0	0	111.6	V182 L212 L213 I219 G220 D221 S224 T228	V182-Y216 HydrophobicContact CG1-CD1 3.73Å; V182-Y216 HydrophobicContact CG1-CE1 3.71Å; V182-Y216 HydrophobicContact CG1-CG 4.42Å; V182-Y216 HydrophobicContact CG2-CE1 4.21Å; L212-Y216 HydrophobicContact CB-CD2 4.47Å; L212-Y216 HydrophobicContact CB-CE2 4.18Å; L212-Y216 WeakPolarHBondContact O-CD2 3.28Å; L212-Y216 PolarHBondContact O-N 3.46Å; L213-Y216 PolarHBondContact O-N 2.97Å; Y216-I219 HydrophobicContact CD1-CD1 4.11Å; Y216-I219 WeakPolarHBondContact O-CG1 3.13Å; Y216-I219 PolarHBondContact O-N 3.17Å; Y216-G220 PolarHBondContact O-N 3.11Å; Y216-D221 HydrophobicContact CD1-CB 4.19Å; Y216-D221 PolarHBondContact O-N 3.47Å; Y216-S224 VanDerWaalsContact CD1-CB 3.45Å; Y216-S224 VanDerWaalsContact CE1-CB 3.44Å; Y216-T228 WeakPolarHBondContact CE2-OG1 3.44Å
217	A	91.1	Very high	91.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-43.6	174.4	0	0	0	0	0	112.1	L213 S214 A215 I219 G220 L225 L258 R261 L262 S265	L213-A217 WeakPolarHBondContact O-CB 3.42Å; L213-A217 PolarHBondContact O-N 2.96Å; S214-A217 PolarHBondContact O-N 3.16Å; A215-A217 VanDerWaalsContact C-N 3.27Å; A215-A217 PolarHBondContact O-N 3.5Å; A217-I219 VanDerWaalsContact C-N 3.32Å; A217-I219 PolarHBondContact O-N 3.01Å; A217-G220 PolarHBondContact O-N 3.2Å; A217-L225 HydrophobicContact CB-CD1 3.56Å; A217-L258 HydrophobicContact CB-CD2 4.04Å; A217-R261 HydrophobicContact CB-CB 3.66Å; A217-R261 CarbonylContact O-C 2.97Å; A217-L262 HydrophobicContact CB-CB 4.3Å; A217-L262 WeakPolarHBondContact O-CA 3.4Å; A217-S265 WeakPolarHBondContact O-CB 3.32Å; A217-S265 PolarHBondContact O-OG 3.16Å
218	D	87.1	Confident	91.7	Very high	15 Å²	15	31 Å²	31	8%	0.08	15%	0.154	C	C	.	.	H	α-helix	trans	-69.7	-24.3	-178.7	-73.7	-7.9	0	0	0	113.2	H179 K183 S214 A215 R261	H179-D218 IonicContact CE1-OD2 2.78Å; H179-D218 PolarHBondContact CE1-OD2 3.45Å; H179-D218 VanDerWaalsContact CE1-OD2 3.23Å; H179-D218 IonicContact NE2-OD2 2.69Å; K183-D218 HydrophobicContact CD-CB 4.17Å; K183-D218 PolarHBondContact NZ-O 3.47Å; S214-D218 WeakPolarHBondContact O-CB 3.36Å; S214-D218 PolarHBondContact O-N 2.9Å; A215-D218 PolarHBondContact O-N 3.43Å; A215-D218 VanDerWaalsContact O-N 3.15Å; D218-R261 VanDerWaalsContact OD1-CD 3.26Å; D218-R261 WeakPolarHBondContact OD1-CD 3.37Å; D218-R261 IonicContact OD1-CZ 3.14Å; D218-R261 IonicContact OD1-NE 3.23Å; D218-R261 IonicContact OD1-NH1 3.51Å; D218-R261 PolarHBondContact OD1-NH1 3.29Å; D218-R261 IonicContact OD2-NH1 2.75Å; D218-R261 PolarHBondContact OD2-NH1 3.02Å
219	I	88.6	Confident	92	Very high	74 Å²	74	30.9 Å²	30.9	38%	0.379	15%	0.153	S	C	.	.	H	α-helix	trans	-92.2	-13.9	172.5	66.1	176.2	0	0	0	113.4	V182 K183 A215 Y216 A217 D221	V182-I219 HydrophobicContact CG1-CD1 3.91Å; K183-I219 HydrophobicContact CD-CG2 3.69Å; A215-I219 WeakPolarHBondContact O-CG1 3.2Å; A215-I219 PolarHBondContact O-N 3.46Å; Y216-I219 HydrophobicContact CD1-CD1 4.11Å; Y216-I219 WeakPolarHBondContact O-CG1 3.13Å; Y216-I219 PolarHBondContact O-N 3.17Å; A217-I219 VanDerWaalsContact C-N 3.32Å; A217-I219 PolarHBondContact O-N 3.01Å; I219-D221 HydrophobicContact CD1-CB 3.73Å; I219-D221 HydrophobicContact CG1-CB 3.77Å
220	G	90	Very high	92	Very high	16 Å²	16	34.8 Å²	34.8	17%	0.165	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	15.1	-178.1	0	0	0	0	0	114.8	Y216 A217 K222 S265	Y216-G220 PolarHBondContact O-N 3.11Å; A217-G220 PolarHBondContact O-N 3.2Å; G220-K222 PolarHBondContact O-N 3.19Å; G220-K222 VanDerWaalsContact O-N 3.07Å; G220-S265 WeakPolarHBondContact CA-OG 3.23Å; G220-S265 PolarHBondContact N-OG 3.29Å
221	D	92.4	Very high	92.1	Very high	50 Å²	50	36.7 Å²	36.7	27%	0.267	18%	0.182	S	C	.	.			trans	-81.1	87.1	177.4	-175.6	-10.4	0	0	0	109.8	Y216 I219 D223 S224 L225	Y216-D221 HydrophobicContact CD1-CB 4.19Å; Y216-D221 PolarHBondContact O-N 3.47Å; I219-D221 HydrophobicContact CD1-CB 3.73Å; I219-D221 HydrophobicContact CG1-CB 3.77Å; D221-D223 VanDerWaalsContact C-N 3.33Å; D221-D223 PolarHBondContact O-N 3.48Å; D221-D223 PolarHBondContact OD1-N 2.9Å; D221-S224 VanDerWaalsContact CG-CB 3.43Å; D221-S224 VanDerWaalsContact CG-OG 3.31Å; D221-S224 WeakPolarHBondContact OD1-CB 3.34Å; D221-S224 PolarHBondContact OD1-N 3.39Å; D221-S224 PolarHBondContact OD1-OG 3.05Å; D221-S224 WeakPolarHBondContact OD2-CB 3.24Å; D221-S224 PolarHBondContact OD2-OG 2.91Å; D221-L225 VanDerWaalsContact O-CB 3.25Å; D221-L225 WeakPolarHBondContact O-CB 3.49Å; D221-L225 PolarHBondContact O-N 2.75Å; D221-L225 VanDerWaalsContact O-N 3.16Å
222	K	92.9	Very high	92.2	Very high	56 Å²	56	36.6 Å²	36.6	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-42	-179.9	-177.9	179.7	174.3	-170.2	0	111.7	G220 L225 L226 L262 E275	G220-K222 PolarHBondContact O-N 3.19Å; G220-K222 VanDerWaalsContact O-N 3.07Å; K222-L225 PolarHBondContact O-N 3.06Å; K222-L226 HydrophobicContact CD-CD1 4.46Å; K222-L226 HydrophobicContact CG-CD1 3.97Å; K222-L226 HydrophobicContact CG-CG 4.34Å; K222-L226 WeakPolarHBondContact O-CG 3.33Å; K222-L226 PolarHBondContact O-N 3.18Å; K222-L262 HydrophobicContact CB-CD1 4.11Å; K222-L262 HydrophobicContact CB-CD2 4.42Å; K222-L262 HydrophobicContact CG-CD2 4.19Å; K222-E275 VanDerWaalsContact CE-OE1 3.27Å; K222-E275 WeakPolarHBondContact CE-OE1 3.49Å; K222-E275 VanDerWaalsContact NZ-CD 3.32Å; K222-E275 IonicContact NZ-OE1 3.35Å; K222-E275 PolarHBondContact NZ-OE1 3.35Å; K222-E275 IonicContact NZ-OE2 3.84Å; K222-E275 PolarHBondContact NZ-OE2 3.15Å
223	D	93.5	Very high	92	Very high	124 Å²	124	38.7 Å²	38.7	66%	0.663	19%	0.189	S	C	*	.	H	α-helix	trans	-71.4	-47.2	-170.9	-62.6	-35.7	0	0	0	111.3	D221 L225 L226 R227	D221-D223 VanDerWaalsContact C-N 3.33Å; D221-D223 PolarHBondContact O-N 3.48Å; D221-D223 PolarHBondContact OD1-N 2.9Å; D223-L225 VanDerWaalsContact C-N 3.3Å; D223-L225 PolarHBondContact O-N 3.27Å; D223-L226 PolarHBondContact O-N 3.36Å; D223-R227 WeakPolarHBondContact O-CB 3.36Å; D223-R227 PolarHBondContact O-N 3.21Å
224	S	94	Very high	91.7	Very high	21 Å²	21	42.2 Å²	42.2	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-37.1	174.9	-63.3	0	0	0	0	111.8	Y216 D221 T228	Y216-S224 VanDerWaalsContact CD1-CB 3.45Å; Y216-S224 VanDerWaalsContact CE1-CB 3.44Å; D221-S224 VanDerWaalsContact CG-CB 3.43Å; D221-S224 VanDerWaalsContact CG-OG 3.31Å; D221-S224 WeakPolarHBondContact OD1-CB 3.34Å; D221-S224 PolarHBondContact OD1-N 3.39Å; D221-S224 PolarHBondContact OD1-OG 3.05Å; D221-S224 WeakPolarHBondContact OD2-CB 3.24Å; D221-S224 PolarHBondContact OD2-OG 2.91Å; S224-T228 VanDerWaalsContact O-CB 3.25Å; S224-T228 WeakPolarHBondContact O-CB 3.44Å; S224-T228 PolarHBondContact O-N 3.44Å; S224-T228 PolarHBondContact O-OG1 2.87Å
225	L	94.7	Very high	91.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-52.3	175	-176.3	153.8	0	0	0	111.3	L213 A217 D221 K222 D223 T228 L229 L262 I276	L213-L225 HydrophobicContact CD2-CG 4.22Å; L213-L225 WeakPolarHBondContact CD2-O 3.1Å; A217-L225 HydrophobicContact CB-CD1 3.56Å; D221-L225 VanDerWaalsContact O-CB 3.25Å; D221-L225 WeakPolarHBondContact O-CB 3.49Å; D221-L225 PolarHBondContact O-N 2.75Å; D221-L225 VanDerWaalsContact O-N 3.16Å; K222-L225 PolarHBondContact O-N 3.06Å; D223-L225 VanDerWaalsContact C-N 3.3Å; D223-L225 PolarHBondContact O-N 3.27Å; L225-T228 PolarHBondContact O-N 3.44Å; L225-L229 VanDerWaalsContact O-CB 3.23Å; L225-L229 WeakPolarHBondContact O-CB 3.48Å; L225-L229 PolarHBondContact O-N 3.48Å; L225-L262 HydrophobicContact CD1-CB 4.43Å; L225-L262 HydrophobicContact CD1-CD1 4.47Å; L225-L262 HydrophobicContact CD1-CD2 4.34Å; L225-I276 HydrophobicContact CD2-CD1 3.82Å; L225-I276 HydrophobicContact CD2-CG1 4.47Å
226	L	94.6	Very high	91.2	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.11	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-43.3	-177	-70.6	179.5	0	0	0	111.7	K222 D223 T228 L229 D230 E275 I276	K222-L226 HydrophobicContact CD-CD1 4.46Å; K222-L226 HydrophobicContact CG-CD1 3.97Å; K222-L226 HydrophobicContact CG-CG 4.34Å; K222-L226 WeakPolarHBondContact O-CG 3.33Å; K222-L226 PolarHBondContact O-N 3.18Å; D223-L226 PolarHBondContact O-N 3.36Å; L226-T228 PolarHBondContact O-N 3.32Å; L226-L229 WeakPolarHBondContact O-CB 3.49Å; L226-L229 PolarHBondContact O-N 2.91Å; L226-D230 PolarHBondContact O-N 3.3Å; L226-E275 HydrophobicContact CD1-CB 4.01Å; L226-E275 HydrophobicContact CD1-CG 3.9Å; L226-E275 HydrophobicContact CD2-CB 3.73Å; L226-I276 HydrophobicContact CD2-CG1 4.15Å
227	R	94.8	Very high	90.6	Very high	168 Å²	168	45.2 Å²	45.2	63%	0.634	24%	0.241	S	C	*	.	H	α-helix	trans	-59.6	-47.3	175.6	-177.3	176.8	61.2	131.6	0.1	112.1	D223 L229 D230 E231	D223-R227 WeakPolarHBondContact O-CB 3.36Å; D223-R227 PolarHBondContact O-N 3.21Å; R227-L229 VanDerWaalsContact C-N 3.27Å; R227-L229 PolarHBondContact O-N 2.94Å; R227-D230 PolarHBondContact O-N 3.21Å; R227-E231 WeakPolarHBondContact O-CB 3.35Å; R227-E231 PolarHBondContact O-N 3.23Å
228	T	93.5	Very high	89.7	Confident	7 Å²	7	49 Å²	49	4%	0.043	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-33.9	177.8	-54.2	0	0	0	0	111.3	Y209 L212 L213 Y216 S224 L225 L226 A232	Y209-T228 HydrophobicContact CD1-CG2 3.92Å; Y209-T228 HydrophobicContact CE1-CG2 4.43Å; L212-T228 HydrophobicContact CB-CG2 4.18Å; L213-T228 HydrophobicContact CD2-CG2 4.02Å; L213-T228 HydrophobicContact CG-CG2 4.18Å; Y216-T228 WeakPolarHBondContact CE2-OG1 3.44Å; S224-T228 VanDerWaalsContact O-CB 3.25Å; S224-T228 WeakPolarHBondContact O-CB 3.44Å; S224-T228 PolarHBondContact O-N 3.44Å; S224-T228 PolarHBondContact O-OG1 2.87Å; L225-T228 PolarHBondContact O-N 3.44Å; L226-T228 PolarHBondContact O-N 3.32Å; T228-A232 WeakPolarHBondContact O-CB 3.41Å; T228-A232 PolarHBondContact O-N 2.83Å
229	L	93	Very high	88.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-45.4	178.4	-176.1	60.9	0	0	0	110.7	L213 L225 L226 R227 A232 Y233 I250 L255 I276 K279	L213-L229 HydrophobicContact CD1-CD1 3.92Å; L213-L229 HydrophobicContact CD2-CB 3.74Å; L213-L229 HydrophobicContact CD2-CD1 4.26Å; L225-L229 VanDerWaalsContact O-CB 3.23Å; L225-L229 WeakPolarHBondContact O-CB 3.48Å; L225-L229 PolarHBondContact O-N 3.48Å; L226-L229 WeakPolarHBondContact O-CB 3.49Å; L226-L229 PolarHBondContact O-N 2.91Å; R227-L229 VanDerWaalsContact C-N 3.27Å; R227-L229 PolarHBondContact O-N 2.94Å; L229-A232 PolarHBondContact O-N 3.36Å; L229-Y233 HydrophobicContact CD1-CD2 4.03Å; L229-Y233 HydrophobicContact CD1-CE2 3.55Å; L229-Y233 HydrophobicContact CD2-CE2 4.4Å; L229-Y233 HydrophobicContact CG-CD2 4.01Å; L229-Y233 HydrophobicContact CG-CE2 3.77Å; L229-Y233 WeakPolarHBondContact O-CD2 3.19Å; L229-Y233 PolarHBondContact O-N 2.97Å; L229-I250 HydrophobicContact CD1-CG1 4.21Å; L229-I250 HydrophobicContact CD1-CG2 4.33Å; L229-L255 HydrophobicContact CD1-CD2 3.98Å; L229-L255 HydrophobicContact CD2-CD2 4.01Å; L229-I276 HydrophobicContact CD2-CG1 4.28Å; L229-K279 HydrophobicContact CD2-CD 3.97Å
230	D	92	Very high	87.2	Confident	83 Å²	83	51.2 Å²	51.2	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-41.3	176.2	-72.4	-24.9	0	0	0	111.8	L226 R227 Y233 A234 K279	L226-D230 PolarHBondContact O-N 3.3Å; R227-D230 PolarHBondContact O-N 3.21Å; D230-Y233 PolarHBondContact O-N 3.38Å; D230-A234 PolarHBondContact O-N 2.92Å; D230-K279 WeakPolarHBondContact OD1-CE 3.44Å; D230-K279 IonicContact OD1-NZ 2.71Å; D230-K279 PolarHBondContact OD1-NZ 2.91Å
231	E	91.8	Very high	85.5	Confident	82 Å²	82	58.3 Å²	58.3	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-59.1	-47.4	171.9	-169.5	-164.1	143.1	0	0	111.4	Y209 R227 Y233 A234 V235	Y209-E231 HydrophobicContact CE1-CG 4.29Å; Y209-E231 PolarHBondContact OH-OE1 2.72Å; R227-E231 WeakPolarHBondContact O-CB 3.35Å; R227-E231 PolarHBondContact O-N 3.23Å; E231-Y233 VanDerWaalsContact C-N 3.3Å; E231-Y233 PolarHBondContact O-N 3.34Å; E231-A234 PolarHBondContact O-N 3.45Å; E231-A234 VanDerWaalsContact O-N 3.08Å; E231-V235 HydrophobicContact CG-CG2 4.07Å; E231-V235 WeakPolarHBondContact O-CB 3.44Å; E231-V235 WeakPolarHBondContact O-CG2 3.26Å; E231-V235 PolarHBondContact O-N 3.05Å
232	A	90	Very high	83.1	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-40.8	178.2	0	0	0	0	0	112	Y209 T228 L229 A234 L236 I250	Y209-A232 HydrophobicContact CD1-CB 3.79Å; Y209-A232 HydrophobicContact CD2-CB 4.13Å; Y209-A232 HydrophobicContact CE1-CB 4.23Å; Y209-A232 HydrophobicContact CG-CB 3.75Å; T228-A232 WeakPolarHBondContact O-CB 3.41Å; T228-A232 PolarHBondContact O-N 2.83Å; L229-A232 PolarHBondContact O-N 3.36Å; A232-A234 VanDerWaalsContact C-N 3.35Å; A232-L236 HydrophobicContact CB-CD1 4.08Å; A232-L236 WeakPolarHBondContact O-CB 3.47Å; A232-L236 WeakPolarHBondContact O-CG 3.27Å; A232-L236 PolarHBondContact O-N 3.03Å; A232-I250 HydrophobicContact CB-CG1 4.47Å
233	Y	87.8	Confident	80.8	Confident	47 Å²	47	68.6 Å²	68.6	18%	0.184	36%	0.355	C	S	.	.	H	α-helix	trans	-67.9	-31.5	175.4	-83.2	-69	0	0	0	113.5	L229 D230 E231 P237 Q249 L255 K279 M283	L229-Y233 HydrophobicContact CD1-CD2 4.03Å; L229-Y233 HydrophobicContact CD1-CE2 3.55Å; L229-Y233 HydrophobicContact CD2-CE2 4.4Å; L229-Y233 HydrophobicContact CG-CD2 4.01Å; L229-Y233 HydrophobicContact CG-CE2 3.77Å; L229-Y233 WeakPolarHBondContact O-CD2 3.19Å; L229-Y233 PolarHBondContact O-N 2.97Å; D230-Y233 PolarHBondContact O-N 3.38Å; E231-Y233 VanDerWaalsContact C-N 3.3Å; E231-Y233 PolarHBondContact O-N 3.34Å; Y233-P237 WeakPolarHBondContact O-CD 3.4Å; Y233-P237 VanDerWaalsContact O-CG 3.23Å; Y233-P237 WeakPolarHBondContact O-CG 3.49Å; Y233-Q249 HydrophobicContact CE1-CB 4.37Å; Y233-L255 WeakPolarHBondContact OH-CD1 3.22Å; Y233-K279 HydrophobicContact CD2-CD 4.48Å; Y233-K279 HydrophobicContact CE2-CD 3.97Å; Y233-M283 HydrophobicContact CE1-CE 4.22Å; Y233-M283 WeakPolarHBondContact OH-CE 3.39Å
234	A	88.4	Confident	78.6	Confident	75 Å²	75	67.3 Å²	67.3	62%	0.62	35%	0.351	S	S	*	.	H	α-helix	trans	-75.3	-40.9	176.1	0	0	0	0	0	112.2	D230 E231 A232	D230-A234 PolarHBondContact O-N 2.92Å; E231-A234 PolarHBondContact O-N 3.45Å; E231-A234 VanDerWaalsContact O-N 3.08Å; A232-A234 VanDerWaalsContact C-N 3.35Å
235	V	87.3	Confident	76.3	Confident	38 Å²	38	71.9 Å²	71.9	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-89.7	-44.7	-169.6	177.8	0	0	0	0	112.3	P204 E231 P237 S238 I239	P204-V235 HydrophobicContact CB-CG1 3.59Å; P204-V235 HydrophobicContact CG-CG1 3.43Å; P204-V235 VanDerWaalsContact CG-CG1 3.43Å; E231-V235 HydrophobicContact CG-CG2 4.07Å; E231-V235 WeakPolarHBondContact O-CB 3.44Å; E231-V235 WeakPolarHBondContact O-CG2 3.26Å; E231-V235 PolarHBondContact O-N 3.05Å; V235-P237 VanDerWaalsContact C-CD 3.49Å; V235-S238 WeakPolarHBondContact O-CB 3.26Å; V235-S238 PolarHBondContact O-N 3.42Å; V235-S238 PolarHBondContact O-OG 3.02Å; V235-I239 HydrophobicContact CG1-CD1 4.14Å
236	L	84.6	Confident	74	Confident	9 Å²	9	77.7 Å²	77.7	5%	0.047	41%	0.406	C	S	.	.	H	α-helix	trans	-57.4	-40.6	-173.9	-69.9	173.9	0	0	0	114.8	K206 Y209 A232 S238 I239 I250	K206-L236 HydrophobicContact CB-CD1 4.5Å; K206-L236 HydrophobicContact CB-CD2 4.13Å; Y209-L236 HydrophobicContact CD2-CD1 4.43Å; Y209-L236 HydrophobicContact CD2-CD2 3.89Å; Y209-L236 HydrophobicContact CD2-CG 4.13Å; Y209-L236 HydrophobicContact CE2-CD2 4.2Å; Y209-L236 HydrophobicContact CE2-CG 4.38Å; A232-L236 HydrophobicContact CB-CD1 4.08Å; A232-L236 WeakPolarHBondContact O-CB 3.47Å; A232-L236 WeakPolarHBondContact O-CG 3.27Å; A232-L236 PolarHBondContact O-N 3.03Å; L236-S238 PolarHBondContact O-N 2.77Å; L236-S238 VanDerWaalsContact O-N 3.15Å; L236-I239 HydrophobicContact CD2-CD1 4.04Å; L236-I239 PolarHBondContact O-N 3.41Å; L236-I250 HydrophobicContact CD1-CD1 4.03Å; L236-I250 HydrophobicContact CD1-CG1 4.35Å
237	P	79.8	Confident	71.9	Confident	64 Å²	64	78.1 Å²	78.1	42%	0.416	41%	0.411	S	S	.	.	H	α-helix	trans	-60.3	-24.1	177.4	-25.8	36.5	0	0	0	114.1	Y233 V235	Y233-P237 WeakPolarHBondContact O-CD 3.4Å; Y233-P237 VanDerWaalsContact O-CG 3.23Å; Y233-P237 WeakPolarHBondContact O-CG 3.49Å; V235-P237 VanDerWaalsContact C-CD 3.49Å
238	S	73	Confident	70.1	Confident	78 Å²	78	75 Å²	75	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-83.1	-13.9	-176.7	73.1	0	0	0	0	114.7	V235 L236	V235-S238 WeakPolarHBondContact O-CB 3.26Å; V235-S238 PolarHBondContact O-N 3.42Å; V235-S238 PolarHBondContact O-OG 3.02Å; L236-S238 PolarHBondContact O-N 2.77Å; L236-S238 VanDerWaalsContact O-N 3.15Å
239	I	68.2	Low	69	Low	69 Å²	69	79.7 Å²	79.7	35%	0.354	42%	0.42	S	S	.	.	H	α-helix	trans	-93.9	-32.9	-171.5	-51.9	161.3	0	0	0	111.9	P204 V235 L236 H241	P204-I239 HydrophobicContact CB-CD1 3.56Å; P204-I239 HydrophobicContact CG-CD1 3.4Å; P204-I239 VanDerWaalsContact CG-CD1 3.4Å; P204-I239 HydrophobicContact CG-CG1 3.89Å; V235-I239 HydrophobicContact CG1-CD1 4.14Å; L236-I239 HydrophobicContact CD2-CD1 4.04Å; L236-I239 PolarHBondContact O-N 3.41Å; I239-H241 PolarHBondContact O-N 3.17Å
240	E	55.7	Low	68.5	Low	67 Å²	67	79.8 Å²	79.8	31%	0.313	42%	0.421	S	S	.	.			trans	-101.6	76.9	-166.9	-66.7	-169.6	162.2	0	0	112.7	N242 S247	E240-N242 PolarHBondContact O-N 3Å; E240-S247 VanDerWaalsContact OE2-CB 3.22Å; E240-S247 WeakPolarHBondContact OE2-CB 3.34Å; E240-S247 PolarHBondContact OE2-OG 3.26Å
241	H	53.8	Low	68	Low	166 Å²	166	77.1 Å²	77.1	77%	0.769	41%	0.409	S	S	*	.	S	Bend	trans	-69.5	-10	175.8	-82.7	-57.7	0	0	0	115	I239	I239-H241 PolarHBondContact O-N 3.17Å
242	N	41.1	Very low	67.7	Low	149 Å²	149	74.1 Å²	74.1	80%	0.797	40%	0.396	S	S	*	.	S	Bend	trans	-152.5	86.9	-174.6	-93	-33.2	0	0	0	113.1	E240	E240-N242 PolarHBondContact O-N 3Å
243	K	46.4	Very low	67.5	Low	172 Å²	172	74.5 Å²	74.5	75%	0.748	40%	0.398	S	S	*	.	S	Bend	trans	171.1	162.1	148.5	-93.2	157.1	-171.6	-178.7	0	110.1
244	T	45.9	Very low	67.4	Low	97 Å²	97	73 Å²	73	60%	0.595	39%	0.393	S	S	*	.			trans	-42.3	146	-166.4	48.4	0	0	0	0	115.5	E246 S247	T244-E246 PolarHBondContact O-N 3.03Å; T244-S247 PolarHBondContact O-N 3.22Å; T244-S247 PolarHBondContact O-OG 3.4Å
245	T	46.4	Very low	67.5	Low	118 Å²	118	69.4 Å²	69.4	72%	0.724	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-45.3	-26.2	-174.5	-20.9	0	0	0	0	115.1	S247	T245-S247 PolarHBondContact O-N 2.91Å
246	E	45.2	Very low	67.6	Low	121 Å²	121	67.6 Å²	67.6	57%	0.565	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-72	-15.4	179.8	-63	-178	163.9	0	0	115.7	K45 T244	K45-E246 WeakPolarHBondContact CE-OE2 3.24Å; K45-E246 IonicContact NZ-OE2 2.75Å; K45-E246 PolarHBondContact NZ-OE2 2.87Å; T244-E246 PolarHBondContact O-N 3.03Å
247	S	51.8	Low	67.7	Low	31 Å²	31	67.1 Å²	67.1	22%	0.217	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-86.8	-15.9	179.3	70.3	0	0	0	0	114.1	E240 T244 T245 Q249	E240-S247 VanDerWaalsContact OE2-CB 3.22Å; E240-S247 WeakPolarHBondContact OE2-CB 3.34Å; E240-S247 PolarHBondContact OE2-OG 3.26Å; T244-S247 PolarHBondContact O-N 3.22Å; T244-S247 PolarHBondContact O-OG 3.4Å; T245-S247 PolarHBondContact O-N 2.91Å; S247-Q249 PolarHBondContact O-N 3.37Å
248	R	57.2	Low	68.2	Low	103 Å²	103	64.1 Å²	64.1	39%	0.389	33%	0.331	S	S	.	.	S	Bend	trans	-77.6	-10.7	-164.3	-66.3	-179.5	176.3	166.3	-2.2	116.2
249	Q	70.3	Confident	69.1	Low	105 Å²	105	60.4 Å²	60.4	49%	0.491	31%	0.305	S	S	.	.	S	Bend	trans	-138.3	158.4	-172.4	-66.2	-179.3	-5.5	0	0	112.6	K206 Y233 S247 S251	K206-Q249 PolarHBondContact NZ-O 3.3Å; Y233-Q249 HydrophobicContact CE1-CB 4.37Å; S247-Q249 PolarHBondContact O-N 3.37Å; Q249-S251 PolarHBondContact O-N 2.99Å
250	I	80.9	Confident	70.1	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	29%	0.288	C	S	.	.			trans	-60.6	124.6	167.2	-63.4	-61.6	0	0	0	107.8	E210 L213 L229 A232 L236 L254 L255	E210-I250 HydrophobicContact CG-CD1 4.21Å; L213-I250 HydrophobicContact CD1-CD1 4.12Å; L229-I250 HydrophobicContact CD1-CG1 4.21Å; L229-I250 HydrophobicContact CD1-CG2 4.33Å; A232-I250 HydrophobicContact CB-CG1 4.47Å; L236-I250 HydrophobicContact CD1-CD1 4.03Å; L236-I250 HydrophobicContact CD1-CG1 4.35Å; I250-L254 HydrophobicContact CD1-CD2 4.46Å; I250-L254 HydrophobicContact CG2-CB 4.26Å; I250-L254 HydrophobicContact CG2-CD2 4Å; I250-L254 HydrophobicContact CG2-CG 4.23Å; I250-L255 HydrophobicContact CG2-CD2 3.79Å; I250-L255 HydrophobicContact CG2-CG 4.03Å
251	S	82.6	Confident	71.6	Confident	27 Å²	27	55 Å²	55	19%	0.189	28%	0.277	C	S	.	.			trans	-70.7	150	-173.1	89.1	0	0	0	0	111.4	E41 Q249 V253 L254 L255	E41-S251 PolarHBondContact OE2-OG 3.06Å; Q249-S251 PolarHBondContact O-N 2.99Å; S251-V253 PolarHBondContact O-N 3.43Å; S251-L254 PolarHBondContact O-N 2.99Å; S251-L254 PolarHBondContact OG-N 3.46Å; S251-L255 PolarHBondContact O-N 2.98Å
252	P	86	Confident	73.4	Confident	18 Å²	18	47.1 Å²	47.1	12%	0.117	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-27.2	178.4	23.5	-33.8	0	0	0	112.8	L255 L256 L280 M283 H286 P288	P252-L255 PolarHBondContact O-N 3.43Å; P252-L256 WeakPolarHBondContact O-CG 3.19Å; P252-L256 PolarHBondContact O-N 3.18Å; P252-L280 HydrophobicContact CB-CD2 4.04Å; P252-M283 HydrophobicContact CB-SD 3.9Å; P252-M283 HydrophobicContact CG-SD 4.41Å; P252-H286 WeakPolarHBondContact CG-O 3.33Å; P252-P288 HydrophobicContact CB-CG 3.96Å; P252-P288 HydrophobicContact CG-CG 4.1Å
253	V	84.8	Confident	75.8	Confident	8 Å²	8	40 Å²	40	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-40.6	172.4	163.5	0	0	0	0	111.9	E41 S251 L256 D257 P288 F291	E41-V253 VanDerWaalsContact CD-CB 3.44Å; E41-V253 HydrophobicContact CG-CB 4.1Å; E41-V253 HydrophobicContact CG-CG1 4.15Å; E41-V253 HydrophobicContact CG-CG2 3.78Å; E41-V253 WeakPolarHBondContact OE1-CG2 3.25Å; E41-V253 WeakPolarHBondContact OE2-CB 3.49Å; E41-V253 WeakPolarHBondContact OE2-CG2 3.32Å; S251-V253 PolarHBondContact O-N 3.43Å; V253-L256 PolarHBondContact O-N 3.4Å; V253-D257 PolarHBondContact O-N 3.49Å; V253-P288 HydrophobicContact CG2-CB 3.44Å; V253-P288 VanDerWaalsContact CG2-CB 3.44Å; V253-P288 HydrophobicContact CG2-CG 3.6Å; V253-F291 HydrophobicContact CB-CD1 4.24Å; V253-F291 HydrophobicContact CB-CE1 4.24Å; V253-F291 HydrophobicContact CB-CG 4.5Å; V253-F291 HydrophobicContact CG1-CD1 4.03Å; V253-F291 HydrophobicContact CG1-CD2 3.98Å; V253-F291 HydrophobicContact CG1-CE1 3.69Å; V253-F291 HydrophobicContact CG1-CE2 3.65Å; V253-F291 HydrophobicContact CG1-CG 4.17Å; V253-F291 HydrophobicContact CG1-CZ 3.5Å; V253-F291 VanDerWaalsContact CG1-CZ 3.5Å; V253-F291 HydrophobicContact CG2-CB 4.16Å; V253-F291 HydrophobicContact CG2-CD1 4.01Å; V253-F291 HydrophobicContact CG2-CD2 4.3Å; V253-F291 HydrophobicContact CG2-CE1 4.48Å; V253-F291 HydrophobicContact CG2-CG 3.91Å; V253-F291 VanDerWaalsContact O-CE1 3.23Å; V253-F291 WeakPolarHBondContact O-CE1 3.49Å
254	L	86.2	Confident	77.7	Confident	15 Å²	15	32.6 Å²	32.6	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-41.8	174.6	-179.4	58.4	0	0	0	110.8	E210 I250 S251 L256 D257 L258	E210-L254 HydrophobicContact CB-CD2 3.86Å; E210-L254 HydrophobicContact CG-CD2 3.31Å; I250-L254 HydrophobicContact CD1-CD2 4.46Å; I250-L254 HydrophobicContact CG2-CB 4.26Å; I250-L254 HydrophobicContact CG2-CD2 4Å; I250-L254 HydrophobicContact CG2-CG 4.23Å; S251-L254 PolarHBondContact O-N 2.99Å; S251-L254 PolarHBondContact OG-N 3.46Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 3.3Å; L254-D257 WeakPolarHBondContact O-CB 3.45Å; L254-D257 PolarHBondContact O-N 3.48Å; L254-D257 VanDerWaalsContact O-N 3.1Å; L254-L258 HydrophobicContact CD1-CD1 4.37Å; L254-L258 HydrophobicContact CD1-CD2 4.29Å; L254-L258 HydrophobicContact CD1-CG 3.98Å; L254-L258 HydrophobicContact CG-CD1 4Å; L254-L258 HydrophobicContact CG-CG 4.11Å; L254-L258 WeakPolarHBondContact O-CB 3.33Å; L254-L258 VanDerWaalsContact O-CG 3.26Å; L254-L258 WeakPolarHBondContact O-CG 3.43Å; L254-L258 PolarHBondContact O-N 3.37Å
255	L	90.6	Very high	79.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-45.3	174.6	-70.5	-177.1	0	0	0	112.5	L229 Y233 I250 S251 P252 D257 L258 Y259 I276 K279 L280 M283	L229-L255 HydrophobicContact CD1-CD2 3.98Å; L229-L255 HydrophobicContact CD2-CD2 4.01Å; Y233-L255 WeakPolarHBondContact OH-CD1 3.22Å; I250-L255 HydrophobicContact CG2-CD2 3.79Å; I250-L255 HydrophobicContact CG2-CG 4.03Å; S251-L255 PolarHBondContact O-N 2.98Å; P252-L255 PolarHBondContact O-N 3.43Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-D257 PolarHBondContact O-N 3.13Å; L255-L258 PolarHBondContact O-N 2.96Å; L255-Y259 VanDerWaalsContact O-CB 3.3Å; L255-Y259 WeakPolarHBondContact O-CB 3.32Å; L255-Y259 PolarHBondContact O-N 3.24Å; L255-I276 HydrophobicContact CB-CG2 4.12Å; L255-I276 HydrophobicContact CD2-CG2 4.41Å; L255-K279 HydrophobicContact CD1-CB 4.37Å; L255-L280 HydrophobicContact CB-CD2 3.73Å; L255-L280 HydrophobicContact CB-CG 4.07Å; L255-L280 HydrophobicContact CD1-CD2 3.98Å; L255-L280 HydrophobicContact CD1-CG 4.16Å; L255-M283 HydrophobicContact CD1-CE 3.73Å; L255-M283 HydrophobicContact CD1-SD 4.06Å
256	L	89.4	Confident	81.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-38.6	175.1	-76.7	166	0	0	0	111.9	P252 V253 L254 T260 L280 P288 F291 A292 T295 I311	P252-L256 WeakPolarHBondContact O-CG 3.19Å; P252-L256 PolarHBondContact O-N 3.18Å; V253-L256 PolarHBondContact O-N 3.4Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 3.3Å; L256-T260 PolarHBondContact O-N 3.07Å; L256-T260 PolarHBondContact O-OG1 2.92Å; L256-L280 HydrophobicContact CD2-CD1 3.64Å; L256-L280 HydrophobicContact CD2-CD2 4.5Å; L256-L280 HydrophobicContact CG-CD1 3.96Å; L256-L280 HydrophobicContact CG-CD2 4Å; L256-P288 HydrophobicContact CD1-CG 3.69Å; L256-F291 HydrophobicContact CB-CD1 3.8Å; L256-F291 HydrophobicContact CB-CE1 3.74Å; L256-F291 HydrophobicContact CD1-CD1 3.75Å; L256-F291 HydrophobicContact CG-CD1 4.44Å; L256-A292 HydrophobicContact CD1-CB 3.89Å; L256-A292 HydrophobicContact CD2-CB 4.41Å; L256-T295 HydrophobicContact CD2-CG2 4.37Å; L256-I311 HydrophobicContact CD2-CD1 3.89Å; L256-I311 HydrophobicContact CD2-CG1 4.41Å; L256-I311 HydrophobicContact CD2-CG2 3.87Å
257	D	85.9	Confident	82.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.3	-48.8	176.2	-171.1	56.3	0	0	0	112.1	I37 S38 V253 L254 L255 Y259 T260 R261	I37-D257 VanDerWaalsContact C-OD1 3.26Å; S38-D257 WeakPolarHBondContact CB-OD2 3.23Å; S38-D257 PolarHBondContact N-OD1 2.8Å; S38-D257 PolarHBondContact OG-OD2 3.41Å; V253-D257 PolarHBondContact O-N 3.49Å; L254-D257 WeakPolarHBondContact O-CB 3.45Å; L254-D257 PolarHBondContact O-N 3.48Å; L254-D257 VanDerWaalsContact O-N 3.1Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-D257 PolarHBondContact O-N 3.13Å; D257-Y259 VanDerWaalsContact C-N 3.32Å; D257-Y259 PolarHBondContact O-N 3.47Å; D257-T260 PolarHBondContact O-N 3.14Å; D257-T260 VanDerWaalsContact O-N 3.12Å; D257-R261 WeakPolarHBondContact O-CG 3.39Å; D257-R261 PolarHBondContact O-N 2.95Å; D257-R261 IonicContact OD1-NE 3.01Å; D257-R261 IonicContact OD2-CZ 2.98Å; D257-R261 IonicContact OD2-NE 3.78Å; D257-R261 PolarHBondContact OD2-NE 3.09Å; D257-R261 IonicContact OD2-NH2 3.08Å; D257-R261 PolarHBondContact OD2-NH2 3.16Å; D257-R261 VanDerWaalsContact OD2-NH2 3.14Å
258	L	90.7	Very high	84.3	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.7	-45.1	176.2	-68.3	175.4	0	0	0	111.2	L213 A217 L254 L255 T260 R261 L262	L213-L258 VanDerWaalsContact C-CD2 3.47Å; L213-L258 HydrophobicContact CB-CD1 3.86Å; L213-L258 HydrophobicContact CB-CD2 3.87Å; L213-L258 HydrophobicContact CD1-CD1 4.15Å; L213-L258 HydrophobicContact CG-CD1 4.45Å; L213-L258 WeakPolarHBondContact O-CD2 3.23Å; A217-L258 HydrophobicContact CB-CD2 4.04Å; L254-L258 HydrophobicContact CD1-CD1 4.37Å; L254-L258 HydrophobicContact CD1-CD2 4.29Å; L254-L258 HydrophobicContact CD1-CG 3.98Å; L254-L258 HydrophobicContact CG-CD1 4Å; L254-L258 HydrophobicContact CG-CG 4.11Å; L254-L258 WeakPolarHBondContact O-CB 3.33Å; L254-L258 VanDerWaalsContact O-CG 3.26Å; L254-L258 WeakPolarHBondContact O-CG 3.43Å; L254-L258 PolarHBondContact O-N 3.37Å; L255-L258 PolarHBondContact O-N 2.96Å; L258-T260 VanDerWaalsContact C-N 3.34Å; L258-T260 PolarHBondContact O-N 3.14Å; L258-R261 PolarHBondContact O-N 2.98Å; L258-L262 VanDerWaalsContact O-CB 3.22Å; L258-L262 WeakPolarHBondContact O-CB 3.48Å; L258-L262 PolarHBondContact O-N 3.47Å
259	Y	92.3	Very high	85.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.7	-48.1	174.5	-176.7	-93.3	0	0	0	111.6	L255 D257 V263 C273 I276 S277 L299 A307 E310 I311	L255-Y259 VanDerWaalsContact O-CB 3.3Å; L255-Y259 WeakPolarHBondContact O-CB 3.32Å; L255-Y259 PolarHBondContact O-N 3.24Å; D257-Y259 VanDerWaalsContact C-N 3.32Å; D257-Y259 PolarHBondContact O-N 3.47Å; Y259-V263 HydrophobicContact CD1-CG2 4.4Å; Y259-V263 HydrophobicContact CE1-CG2 4.11Å; Y259-V263 HydrophobicContact CE2-CG2 4.33Å; Y259-V263 WeakPolarHBondContact O-CB 3.34Å; Y259-V263 WeakPolarHBondContact O-CG2 3.5Å; Y259-V263 PolarHBondContact O-N 3.34Å; Y259-C273 HydrophobicContact CD2-CB 3.81Å; Y259-C273 HydrophobicContact CE2-CB 3.72Å; Y259-C273 WeakPolarHBondContact CE2-O 3.36Å; Y259-I276 HydrophobicContact CD2-CB 4.08Å; Y259-I276 HydrophobicContact CD2-CG2 4.18Å; Y259-S277 WeakPolarHBondContact CE2-OG 3.17Å; Y259-L299 HydrophobicContact CD1-CD1 4.3Å; Y259-L299 HydrophobicContact CE1-CD1 3.98Å; Y259-A307 HydrophobicContact CE1-CB 3.79Å; Y259-A307 WeakPolarHBondContact OH-CA 3.41Å; Y259-A307 WeakPolarHBondContact OH-CB 3.49Å; Y259-E310 PolarHBondContact OH-OE2 3.14Å; Y259-E310 VanDerWaalsContact OH-OE2 3.1Å; Y259-I311 HydrophobicContact CD1-CD1 3.85Å; Y259-I311 HydrophobicContact CD1-CG1 3.88Å; Y259-I311 HydrophobicContact CE1-CD1 3.77Å; Y259-I311 HydrophobicContact CE1-CG1 3.57Å; Y259-I311 HydrophobicContact CG-CD1 4.26Å
260	T	89.1	Confident	86	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-46.7	-179	-43	0	0	0	0	111	C36 L256 D257 L258 C264 T295 I298 L299	C36-T260 HydrophobicContact CB-CG2 3.72Å; C36-T260 WeakPolarHBondContact SG-CG2 3.41Å; L256-T260 PolarHBondContact O-N 3.07Å; L256-T260 PolarHBondContact O-OG1 2.92Å; D257-T260 PolarHBondContact O-N 3.14Å; D257-T260 VanDerWaalsContact O-N 3.12Å; L258-T260 VanDerWaalsContact C-N 3.34Å; L258-T260 PolarHBondContact O-N 3.14Å; T260-C264 VanDerWaalsContact O-CB 3.27Å; T260-C264 WeakPolarHBondContact O-CB 3.37Å; T260-C264 PolarHBondContact O-N 2.85Å; T260-C264 PolarHBondContact O-SG 3.21Å; T260-T295 HydrophobicContact CG2-CG2 4.5Å; T260-T295 WeakPolarHBondContact OG1-CG2 3.45Å; T260-I298 HydrophobicContact CG2-CG2 3.85Å; T260-L299 HydrophobicContact CG2-CD2 3.81Å; T260-L299 HydrophobicContact CG2-CG 4.06Å
261	R	87.4	Confident	86.4	Confident	23 Å²	23	26.8 Å²	26.8	9%	0.087	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-51.4	178.6	-71.3	169.8	-179	-117.2	11.7	111.7	C36 S38 A217 D218 D257 L258 C264 S265	C36-R261 HydrophobicContact CB-CG 3.8Å; C36-R261 PolarHBondContact O-NE 3.09Å; C36-R261 PolarHBondContact O-NH2 3.42Å; S38-R261 PolarHBondContact OG-NH2 2.73Å; A217-R261 HydrophobicContact CB-CB 3.66Å; A217-R261 CarbonylContact O-C 2.97Å; D218-R261 VanDerWaalsContact OD1-CD 3.26Å; D218-R261 WeakPolarHBondContact OD1-CD 3.37Å; D218-R261 IonicContact OD1-CZ 3.14Å; D218-R261 IonicContact OD1-NE 3.23Å; D218-R261 IonicContact OD1-NH1 3.51Å; D218-R261 PolarHBondContact OD1-NH1 3.29Å; D218-R261 IonicContact OD2-NH1 2.75Å; D218-R261 PolarHBondContact OD2-NH1 3.02Å; D257-R261 WeakPolarHBondContact O-CG 3.39Å; D257-R261 PolarHBondContact O-N 2.95Å; D257-R261 IonicContact OD1-NE 3.01Å; D257-R261 IonicContact OD2-CZ 2.98Å; D257-R261 IonicContact OD2-NE 3.78Å; D257-R261 PolarHBondContact OD2-NE 3.09Å; D257-R261 IonicContact OD2-NH2 3.08Å; D257-R261 PolarHBondContact OD2-NH2 3.16Å; D257-R261 VanDerWaalsContact OD2-NH2 3.14Å; L258-R261 PolarHBondContact O-N 2.98Å; R261-C264 PolarHBondContact O-N 3.12Å; R261-S265 WeakPolarHBondContact O-CB 3.5Å; R261-S265 PolarHBondContact O-N 3.48Å; R261-S265 PolarHBondContact O-OG 3.39Å; R261-S265 VanDerWaalsContact O-OG 3.11Å
262	L	91.8	Very high	86.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-51.2	179.5	177.4	66.1	0	0	0	111.3	A217 K222 L225 L258 C264 S265 L266 C273 I276	A217-L262 HydrophobicContact CB-CB 4.3Å; A217-L262 WeakPolarHBondContact O-CA 3.4Å; K222-L262 HydrophobicContact CB-CD1 4.11Å; K222-L262 HydrophobicContact CB-CD2 4.42Å; K222-L262 HydrophobicContact CG-CD2 4.19Å; L225-L262 HydrophobicContact CD1-CB 4.43Å; L225-L262 HydrophobicContact CD1-CD1 4.47Å; L225-L262 HydrophobicContact CD1-CD2 4.34Å; L258-L262 VanDerWaalsContact O-CB 3.22Å; L258-L262 WeakPolarHBondContact O-CB 3.48Å; L258-L262 PolarHBondContact O-N 3.47Å; L262-C264 VanDerWaalsContact C-N 3.28Å; L262-C264 PolarHBondContact O-N 3.5Å; L262-S265 WeakPolarHBondContact CA-OG 3.43Å; L262-S265 PolarHBondContact O-N 2.93Å; L262-S265 PolarHBondContact O-OG 3.06Å; L262-L266 HydrophobicContact CG-CD1 4.35Å; L262-L266 VanDerWaalsContact O-CG 3.24Å; L262-L266 WeakPolarHBondContact O-CG 3.45Å; L262-L266 PolarHBondContact O-N 3.47Å; L262-L266 VanDerWaalsContact O-N 3.1Å; L262-C273 HydrophobicContact CD2-CB 3.9Å; L262-I276 HydrophobicContact CD2-CD1 4.23Å
263	V	90.8	Very high	87	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-34.6	-179.1	168	0	0	0	0	112.1	Y259 A271 L299 R304 A307	Y259-V263 HydrophobicContact CD1-CG2 4.4Å; Y259-V263 HydrophobicContact CE1-CG2 4.11Å; Y259-V263 HydrophobicContact CE2-CG2 4.33Å; Y259-V263 WeakPolarHBondContact O-CB 3.34Å; Y259-V263 WeakPolarHBondContact O-CG2 3.5Å; Y259-V263 PolarHBondContact O-N 3.34Å; V263-A271 HydrophobicContact CG1-CB 4.1Å; V263-A271 WeakPolarHBondContact CG1-O 3.37Å; V263-L299 HydrophobicContact CB-CD2 4.45Å; V263-L299 HydrophobicContact CG1-CD2 4.14Å; V263-R304 HydrophobicContact CG1-CB 4.07Å; V263-R304 HydrophobicContact CG1-CG 3.96Å; V263-R304 PolarHBondContact O-NE 3.01Å; V263-A307 HydrophobicContact CB-CB 4.3Å; V263-A307 HydrophobicContact CG1-CB 3.54Å; V263-A307 HydrophobicContact CG2-CB 4.08Å
264	C	86.1	Confident	87.3	Confident	16 Å²	16	29.7 Å²	29.7	11%	0.108	18%	0.18	C	C	.	.	H	α-helix	trans	-76.2	-28.8	179.2	-67.5	0	0	0	0	112.7	A34 T260 R261 L262	A34-C264 VanDerWaalsContact CB-C 3.4Å; A34-C264 HydrophobicContact CB-CB 3.52Å; A34-C264 WeakPolarHBondContact CB-O 3.39Å; T260-C264 VanDerWaalsContact O-CB 3.27Å; T260-C264 WeakPolarHBondContact O-CB 3.37Å; T260-C264 PolarHBondContact O-N 2.85Å; T260-C264 PolarHBondContact O-SG 3.21Å; R261-C264 PolarHBondContact O-N 3.12Å; L262-C264 VanDerWaalsContact C-N 3.28Å; L262-C264 PolarHBondContact O-N 3.5Å
265	S	85	Confident	87.5	Confident	34 Å²	34	32 Å²	32	24%	0.238	19%	0.191	C	C	.	.	H	α-helix	trans	-77.2	-25	174.6	58.6	0	0	0	0	112.6	A217 G220 R261 L262	A217-S265 WeakPolarHBondContact O-CB 3.32Å; A217-S265 PolarHBondContact O-OG 3.16Å; G220-S265 WeakPolarHBondContact CA-OG 3.23Å; G220-S265 PolarHBondContact N-OG 3.29Å; R261-S265 WeakPolarHBondContact O-CB 3.5Å; R261-S265 PolarHBondContact O-N 3.48Å; R261-S265 PolarHBondContact O-OG 3.39Å; R261-S265 VanDerWaalsContact O-OG 3.11Å; L262-S265 WeakPolarHBondContact CA-OG 3.43Å; L262-S265 PolarHBondContact O-N 2.93Å; L262-S265 PolarHBondContact O-OG 3.06Å
266	L	86.3	Confident	87.5	Confident	26 Å²	26	32 Å²	32	14%	0.136	19%	0.191	C	C	.	.	S	Bend	trans	-67.4	133.8	171.3	-66.9	169.7	0	0	0	111.2	L262 Y268 A271 R304	L262-L266 HydrophobicContact CG-CD1 4.35Å; L262-L266 VanDerWaalsContact O-CG 3.24Å; L262-L266 WeakPolarHBondContact O-CG 3.45Å; L262-L266 PolarHBondContact O-N 3.47Å; L262-L266 VanDerWaalsContact O-N 3.1Å; L266-Y268 VanDerWaalsContact C-N 3.31Å; L266-Y268 HydrophobicContact CB-CD1 4.39Å; L266-Y268 HydrophobicContact CB-CE1 4Å; L266-Y268 HydrophobicContact CD1-CE1 4.45Å; L266-Y268 HydrophobicContact CD2-CE1 4.27Å; L266-Y268 HydrophobicContact CG-CE1 4.46Å; L266-Y268 PolarHBondContact O-N 3.45Å; L266-A271 HydrophobicContact CB-CB 3.71Å; L266-A271 HydrophobicContact CD1-CB 3.75Å; L266-A271 HydrophobicContact CG-CB 4.39Å; L266-R304 PolarHBondContact O-NH2 2.95Å
267	G	75.4	Confident	87.4	Confident	81 Å²	81	32.2 Å²	32.2	84%	0.835	19%	0.193	S	C	*	.	S	Bend	trans	-72.5	-14.3	-170.8	0	0	0	0	0	116.1
268	Y	82.7	Confident	87.5	Confident	131 Å²	131	36 Å²	36	51%	0.514	22%	0.216	S	C	.	.	S	Bend	trans	-103.8	143.7	-176.8	57.6	-80.3	0	0	0	112	L266 N270 A271	L266-Y268 VanDerWaalsContact C-N 3.31Å; L266-Y268 HydrophobicContact CB-CD1 4.39Å; L266-Y268 HydrophobicContact CB-CE1 4Å; L266-Y268 HydrophobicContact CD1-CE1 4.45Å; L266-Y268 HydrophobicContact CD2-CE1 4.27Å; L266-Y268 HydrophobicContact CG-CE1 4.46Å; L266-Y268 PolarHBondContact O-N 3.45Å; Y268-N270 VanDerWaalsContact C-N 3.34Å; Y268-N270 PolarHBondContact O-N 2.97Å; Y268-A271 HydrophobicContact CD2-CB 3.79Å; Y268-A271 HydrophobicContact CE1-CB 4.2Å; Y268-A271 HydrophobicContact CE2-CB 3.44Å; Y268-A271 VanDerWaalsContact CE2-CB 3.44Å; Y268-A271 HydrophobicContact CG-CB 4.32Å; Y268-A271 WeakPolarHBondContact O-CB 3.24Å; Y268-A271 PolarHBondContact O-N 3.23Å
269	T	78.9	Confident	87.4	Confident	79 Å²	79	38.3 Å²	38.3	49%	0.485	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-27.5	-171.1	50.2	0	0	0	0	114.2	A271 R304	T269-A271 VanDerWaalsContact C-N 3.34Å; T269-R304 WeakPolarHBondContact O-CD 3.42Å
270	N	84	Confident	87.1	Confident	105 Å²	105	38.3 Å²	38.3	56%	0.561	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	14	-178.9	-69	-18.8	0	0	0	113.6	Y268 A306	Y268-N270 VanDerWaalsContact C-N 3.34Å; Y268-N270 PolarHBondContact O-N 2.97Å; N270-A306 HydrophobicContact CB-CB 4.29Å
271	A	87.7	Confident	86.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.247	C	C	.	.			trans	-57.7	138.5	176	0	0	0	0	0	112.2	V263 L266 Y268 T269 A307	V263-A271 HydrophobicContact CG1-CB 4.1Å; V263-A271 WeakPolarHBondContact CG1-O 3.37Å; L266-A271 HydrophobicContact CB-CB 3.71Å; L266-A271 HydrophobicContact CD1-CB 3.75Å; L266-A271 HydrophobicContact CG-CB 4.39Å; Y268-A271 HydrophobicContact CD2-CB 3.79Å; Y268-A271 HydrophobicContact CE1-CB 4.2Å; Y268-A271 HydrophobicContact CE2-CB 3.44Å; Y268-A271 VanDerWaalsContact CE2-CB 3.44Å; Y268-A271 HydrophobicContact CG-CB 4.32Å; Y268-A271 WeakPolarHBondContact O-CB 3.24Å; Y268-A271 PolarHBondContact O-N 3.23Å; T269-A271 VanDerWaalsContact C-N 3.34Å; A271-A307 WeakPolarHBondContact O-CB 3.44Å
272	T	91	Very high	86.5	Confident	50 Å²	50	46.6 Å²	46.6	31%	0.307	28%	0.275	S	S	.	.			trans	-146.9	166.4	-179.8	51.2	0	0	0	0	109.7	A306 A307 E310	T272-A306 HydrophobicContact CG2-CB 3.99Å; T272-A307 HydrophobicContact CG2-CB 4.37Å; T272-E310 WeakPolarHBondContact CB-OE2 3.34Å; T272-E310 WeakPolarHBondContact CG2-OE2 3.5Å
273	C	91.7	Very high	85.7	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.282	C	S	.	.			trans	-142.7	78.7	175.6	-170.1	0	0	0	0	110.2	Y259 L262 E275 I276 S277	Y259-C273 HydrophobicContact CD2-CB 3.81Å; Y259-C273 HydrophobicContact CE2-CB 3.72Å; Y259-C273 WeakPolarHBondContact CE2-O 3.36Å; L262-C273 HydrophobicContact CD2-CB 3.9Å; C273-E275 PolarHBondContact O-N 3.29Å; C273-E275 VanDerWaalsContact O-N 3.08Å; C273-I276 HydrophobicContact CB-CD1 4.28Å; C273-I276 PolarHBondContact O-N 3.02Å; C273-S277 PolarHBondContact O-N 3.23Å; C273-S277 PolarHBondContact O-OG 3.22Å
274	S	89.7	Confident	84.4	Confident	63 Å²	63	55.7 Å²	55.7	44%	0.441	32%	0.316	S	S	.	.	H	α-helix	trans	-51.8	-31.9	-178.5	63.6	0	0	0	0	113.8	S277 T278 E310	S274-S277 PolarHBondContact O-N 3.39Å; S274-T278 WeakPolarHBondContact O-CB 3.41Å; S274-T278 WeakPolarHBondContact O-CG2 3.26Å; S274-T278 PolarHBondContact O-N 2.92Å; S274-T278 PolarHBondContact O-OG1 3.09Å; S274-E310 VanDerWaalsContact CA-OE1 3.24Å; S274-E310 WeakPolarHBondContact CA-OE1 3.48Å; S274-E310 PolarHBondContact N-OE1 3.48Å
275	E	90.8	Very high	83.4	Confident	64 Å²	64	61.7 Å²	61.7	30%	0.299	35%	0.347	S	S	.	.	H	α-helix	trans	-67.5	-37.2	-178.7	-58.9	91.5	141.8	0	0	112	K222 L226 C273 T278 K279	K222-E275 VanDerWaalsContact CE-OE1 3.27Å; K222-E275 WeakPolarHBondContact CE-OE1 3.49Å; K222-E275 VanDerWaalsContact NZ-CD 3.32Å; K222-E275 IonicContact NZ-OE1 3.35Å; K222-E275 PolarHBondContact NZ-OE1 3.35Å; K222-E275 IonicContact NZ-OE2 3.84Å; K222-E275 PolarHBondContact NZ-OE2 3.15Å; L226-E275 HydrophobicContact CD1-CB 4.01Å; L226-E275 HydrophobicContact CD1-CG 3.9Å; L226-E275 HydrophobicContact CD2-CB 3.73Å; C273-E275 PolarHBondContact O-N 3.29Å; C273-E275 VanDerWaalsContact O-N 3.08Å; E275-T278 PolarHBondContact O-OG1 3.26Å; E275-K279 WeakPolarHBondContact O-CG 3.49Å; E275-K279 PolarHBondContact O-N 3.29Å
276	I	90.9	Very high	82.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-76.2	-39.6	173.5	-64.1	171.7	0	0	0	110	L225 L226 L229 L255 Y259 L262 C273 K279 L280	L225-I276 HydrophobicContact CD2-CD1 3.82Å; L225-I276 HydrophobicContact CD2-CG1 4.47Å; L226-I276 HydrophobicContact CD2-CG1 4.15Å; L229-I276 HydrophobicContact CD2-CG1 4.28Å; L255-I276 HydrophobicContact CB-CG2 4.12Å; L255-I276 HydrophobicContact CD2-CG2 4.41Å; Y259-I276 HydrophobicContact CD2-CB 4.08Å; Y259-I276 HydrophobicContact CD2-CG2 4.18Å; L262-I276 HydrophobicContact CD2-CD1 4.23Å; C273-I276 HydrophobicContact CB-CD1 4.28Å; C273-I276 PolarHBondContact O-N 3.02Å; I276-K279 PolarHBondContact O-N 2.88Å; I276-L280 HydrophobicContact CG2-CD1 4.28Å; I276-L280 WeakPolarHBondContact O-CG 3.34Å; I276-L280 PolarHBondContact O-N 3.31Å
277	S	88.1	Confident	82.3	Confident	5 Å²	5	66.9 Å²	66.9	4%	0.035	37%	0.366	C	S	.	.	H	α-helix	trans	-65.1	-38.6	178.8	-61.4	0	0	0	0	113.2	Y259 C273 S274 L280 L281 E310	Y259-S277 WeakPolarHBondContact CE2-OG 3.17Å; C273-S277 PolarHBondContact O-N 3.23Å; C273-S277 PolarHBondContact O-OG 3.22Å; S274-S277 PolarHBondContact O-N 3.39Å; S277-L280 WeakPolarHBondContact O-CB 3.36Å; S277-L280 PolarHBondContact O-N 3.47Å; S277-L281 PolarHBondContact O-N 3.43Å; S277-E310 WeakPolarHBondContact CB-OE1 3.37Å; S277-E310 VanDerWaalsContact OG-CD 3.28Å; S277-E310 PolarHBondContact OG-OE1 2.87Å
278	T	88.2	Confident	82.7	Confident	80 Å²	80	63.9 Å²	63.9	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-65.7	-42.1	173.8	52.5	0	0	0	0	110.9	S274 E275 L280 L281 T282	S274-T278 WeakPolarHBondContact O-CB 3.41Å; S274-T278 WeakPolarHBondContact O-CG2 3.26Å; S274-T278 PolarHBondContact O-N 2.92Å; S274-T278 PolarHBondContact O-OG1 3.09Å; E275-T278 PolarHBondContact O-OG1 3.26Å; T278-L280 VanDerWaalsContact C-N 3.35Å; T278-L280 PolarHBondContact O-N 3.45Å; T278-L281 WeakPolarHBondContact O-CB 3.26Å; T278-L281 PolarHBondContact O-N 3.27Å; T278-T282 PolarHBondContact O-N 3.38Å
279	K	87.2	Confident	82.8	Confident	47 Å²	47	59.2 Å²	59.2	20%	0.204	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-42.9	172	-73	176.6	-167.7	-79.4	0	111.7	L229 D230 Y233 L255 E275 I276 L281 T282	L229-K279 HydrophobicContact CD2-CD 3.97Å; D230-K279 WeakPolarHBondContact OD1-CE 3.44Å; D230-K279 IonicContact OD1-NZ 2.71Å; D230-K279 PolarHBondContact OD1-NZ 2.91Å; Y233-K279 HydrophobicContact CD2-CD 4.48Å; Y233-K279 HydrophobicContact CE2-CD 3.97Å; L255-K279 HydrophobicContact CD1-CB 4.37Å; E275-K279 WeakPolarHBondContact O-CG 3.49Å; E275-K279 PolarHBondContact O-N 3.29Å; I276-K279 PolarHBondContact O-N 2.88Å; K279-L281 VanDerWaalsContact C-N 3.29Å; K279-L281 PolarHBondContact O-N 3.41Å; K279-T282 PolarHBondContact O-N 2.84Å; K279-T282 VanDerWaalsContact O-N 3.13Å; K279-T282 PolarHBondContact O-OG1 2.95Å
280	L	86.7	Confident	82.9	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-58.5	-38.4	174.7	-78	168	0	0	0	112.7	P252 L255 L256 I276 S277 T278 T282 M283 I311 I314	P252-L280 HydrophobicContact CB-CD2 4.04Å; L255-L280 HydrophobicContact CB-CD2 3.73Å; L255-L280 HydrophobicContact CB-CG 4.07Å; L255-L280 HydrophobicContact CD1-CD2 3.98Å; L255-L280 HydrophobicContact CD1-CG 4.16Å; L256-L280 HydrophobicContact CD2-CD1 3.64Å; L256-L280 HydrophobicContact CD2-CD2 4.5Å; L256-L280 HydrophobicContact CG-CD1 3.96Å; L256-L280 HydrophobicContact CG-CD2 4Å; I276-L280 HydrophobicContact CG2-CD1 4.28Å; I276-L280 WeakPolarHBondContact O-CG 3.34Å; I276-L280 PolarHBondContact O-N 3.31Å; S277-L280 WeakPolarHBondContact O-CB 3.36Å; S277-L280 PolarHBondContact O-N 3.47Å; T278-L280 VanDerWaalsContact C-N 3.35Å; T278-L280 PolarHBondContact O-N 3.45Å; L280-T282 VanDerWaalsContact C-N 3.29Å; L280-T282 PolarHBondContact O-N 2.57Å; L280-M283 PolarHBondContact O-N 2.97Å; L280-I311 HydrophobicContact CD1-CD1 4.09Å; L280-I314 HydrophobicContact CB-CD1 4.02Å; L280-I314 HydrophobicContact CD1-CD1 4.38Å
281	L	83.1	Confident	82.8	Confident	85 Å²	85	58.8 Å²	58.8	45%	0.445	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-26.6	177.1	-77.1	164.9	0	0	0	113.6	S277 T278 K279 M283 I314	S277-L281 PolarHBondContact O-N 3.43Å; T278-L281 WeakPolarHBondContact O-CB 3.26Å; T278-L281 PolarHBondContact O-N 3.27Å; K279-L281 VanDerWaalsContact C-N 3.29Å; K279-L281 PolarHBondContact O-N 3.41Å; L281-M283 PolarHBondContact O-N 2.89Å; L281-I314 HydrophobicContact CD1-CG1 4.47Å; L281-I314 HydrophobicContact CD2-CB 4.3Å; L281-I314 HydrophobicContact CD2-CG1 3.95Å; L281-I314 HydrophobicContact CD2-CG2 3.94Å; L281-I314 HydrophobicContact CG-CD1 4.24Å; L281-I314 HydrophobicContact CG-CG1 3.98Å; L281-I314 HydrophobicContact CG-CG2 4.43Å
282	T	80	Confident	82.9	Confident	111 Å²	111	58.8 Å²	58.8	68%	0.681	31%	0.305	S	S	*	.	H	α-helix	trans	-72.8	-15.4	177.7	64.6	0	0	0	0	113.5	T278 K279 L280 K284	T278-T282 PolarHBondContact O-N 3.38Å; K279-T282 PolarHBondContact O-N 2.84Å; K279-T282 VanDerWaalsContact O-N 3.13Å; K279-T282 PolarHBondContact O-OG1 2.95Å; L280-T282 VanDerWaalsContact C-N 3.29Å; L280-T282 PolarHBondContact O-N 2.57Å; T282-K284 PolarHBondContact O-N 2.94Å
283	M	74.7	Confident	82.7	Confident	29 Å²	29	57 Å²	57	14%	0.143	29%	0.293	C	S	.	.			trans	-96	82	-175	-61.1	-178	175.1	0	0	111.6	Y233 P252 L255 L280 L281	Y233-M283 HydrophobicContact CE1-CE 4.22Å; Y233-M283 WeakPolarHBondContact OH-CE 3.39Å; P252-M283 HydrophobicContact CB-SD 3.9Å; P252-M283 HydrophobicContact CG-SD 4.41Å; L255-M283 HydrophobicContact CD1-CE 3.73Å; L255-M283 HydrophobicContact CD1-SD 4.06Å; L280-M283 PolarHBondContact O-N 2.97Å; L281-M283 PolarHBondContact O-N 2.89Å
284	K	64	Low	82.3	Confident	162 Å²	162	58.8 Å²	58.8	70%	0.704	30%	0.303	S	S	*	.			trans	-77.8	-36.1	-174.7	-69.2	-173.8	178.8	-179.3	0	114.9	T282 H286	T282-K284 PolarHBondContact O-N 2.94Å; K284-H286 PolarHBondContact O-N 3.38Å
285	D	65.9	Low	82.2	Confident	143 Å²	143	55.8 Å²	55.8	77%	0.765	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.9	-164.9	-60.2	-33.7	0	0	0	114
286	H	69.1	Low	82.2	Confident	143 Å²	143	52.8 Å²	52.8	66%	0.662	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	50.2	-172.2	-61.1	-49.5	0	0	0	113.6	P252 K284 P288	P252-H286 WeakPolarHBondContact CG-O 3.33Å; K284-H286 PolarHBondContact O-N 3.38Å; H286-P288 WeakPolarHBondContact O-CD 3.4Å
287	F	79.5	Confident	82.1	Confident	25 Å²	25	53.8 Å²	53.8	11%	0.11	27%	0.272	C	S	.	.			trans	-72.3	124.4	177.5	-172.6	-103.8	0	0	0	111.9	L289 A292 I314 I315 Y318	F287-L289 VanDerWaalsContact C-N 3.29Å; F287-L289 HydrophobicContact CD1-CB 4.39Å; F287-L289 HydrophobicContact CD1-CD1 4.42Å; F287-L289 HydrophobicContact CE1-CD1 4.26Å; F287-L289 PolarHBondContact O-N 3.39Å; F287-A292 HydrophobicContact CE1-CB 3.57Å; F287-A292 HydrophobicContact CZ-CB 3.5Å; F287-I314 HydrophobicContact CD2-CG2 4.35Å; F287-I314 HydrophobicContact CE1-CG2 4.35Å; F287-I314 HydrophobicContact CE2-CG2 3.56Å; F287-I314 HydrophobicContact CZ-CB 4.38Å; F287-I314 HydrophobicContact CZ-CG2 3.55Å; F287-I315 HydrophobicContact CE1-CG1 4.22Å; F287-I315 HydrophobicContact CZ-CG1 4.48Å; F287-Y318 HydrophobicContact CB-CE2 4.13Å; F287-Y318 HydrophobicContact CD1-CD2 4.05Å; F287-Y318 AromaticContact CD1-CE2 3.7Å; F287-Y318 HydrophobicContact CD1-CE2 3.7Å; F287-Y318 HydrophobicContact CE1-CD2 4.46Å; F287-Y318 HydrophobicContact CE1-CE2 4.34Å; F287-Y318 AromaticContact CG-CE2 3.98Å; F287-Y318 HydrophobicContact CG-CE2 3.98Å
288	P	83.7	Confident	81.9	Confident	19 Å²	19	53.7 Å²	53.7	12%	0.123	27%	0.271	C	S	.	.			trans	-81.9	72.6	-175	35.3	-38.3	0	0	0	111.2	P252 V253 L256 H286 E290 F291 A292	P252-P288 HydrophobicContact CB-CG 3.96Å; P252-P288 HydrophobicContact CG-CG 4.1Å; V253-P288 HydrophobicContact CG2-CB 3.44Å; V253-P288 VanDerWaalsContact CG2-CB 3.44Å; V253-P288 HydrophobicContact CG2-CG 3.6Å; L256-P288 HydrophobicContact CD1-CG 3.69Å; H286-P288 WeakPolarHBondContact O-CD 3.4Å; P288-E290 PolarHBondContact O-N 2.88Å; P288-F291 HydrophobicContact CB-CB 3.99Å; P288-F291 HydrophobicContact CG-CB 4.46Å; P288-F291 CarbonylContact O-C 3.57Å; P288-F291 WeakPolarHBondContact O-CA 3.4Å; P288-F291 WeakPolarHBondContact O-CB 3.32Å; P288-F291 PolarHBondContact O-N 3.34Å; P288-A292 PolarHBondContact O-N 3.39Å
289	L	84.2	Confident	82	Confident	32 Å²	32	49.9 Å²	49.9	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-52.2	-48.1	-170.6	-174.8	57.9	0	0	0	114.1	F287 F291 A292 I293 I315 Y318 H321	F287-L289 VanDerWaalsContact C-N 3.29Å; F287-L289 HydrophobicContact CD1-CB 4.39Å; F287-L289 HydrophobicContact CD1-CD1 4.42Å; F287-L289 HydrophobicContact CE1-CD1 4.26Å; F287-L289 PolarHBondContact O-N 3.39Å; L289-F291 VanDerWaalsContact C-N 3.3Å; L289-F291 PolarHBondContact O-N 3.03Å; L289-A292 PolarHBondContact O-N 3.17Å; L289-I293 HydrophobicContact CD1-CD1 4.32Å; L289-I293 HydrophobicContact CG-CD1 4.13Å; L289-I293 WeakPolarHBondContact O-CG1 3.46Å; L289-I293 PolarHBondContact O-N 3.03Å; L289-I315 HydrophobicContact CD1-CB 4.39Å; L289-I315 HydrophobicContact CD1-CG1 4.36Å; L289-I315 HydrophobicContact CD1-CG2 3.75Å; L289-Y318 HydrophobicContact CD1-CD2 4.46Å; L289-Y318 HydrophobicContact CD1-CG 4.41Å; L289-H321 VanDerWaalsContact CD2-CD2 3.41Å; L289-H321 WeakPolarHBondContact CD2-CD2 3.47Å
290	E	81.5	Confident	82	Confident	156 Å²	156	47.6 Å²	47.6	73%	0.729	24%	0.238	S	C	*	.	H	α-helix	trans	-60.5	-40.8	177.4	-66.4	-171.2	155	0	0	112	P288 I293 D294	P288-E290 PolarHBondContact O-N 2.88Å; E290-I293 PolarHBondContact O-N 2.91Å; E290-D294 PolarHBondContact O-N 3.48Å
291	F	81.8	Confident	81.8	Confident	19 Å²	19	48 Å²	48	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-36.4	178.8	-164.3	-91.7	0	0	0	111.2	R73 V253 L256 P288 L289 D294 T295	R73-F291 VanDerWaalsContact NE-CZ 3.27Å; R73-F291 PolarHBondContact NH1-O 3.34Å; R73-F291 VanDerWaalsContact NH2-CZ 3.27Å; V253-F291 HydrophobicContact CB-CD1 4.24Å; V253-F291 HydrophobicContact CB-CE1 4.24Å; V253-F291 HydrophobicContact CB-CG 4.5Å; V253-F291 HydrophobicContact CG1-CD1 4.03Å; V253-F291 HydrophobicContact CG1-CD2 3.98Å; V253-F291 HydrophobicContact CG1-CE1 3.69Å; V253-F291 HydrophobicContact CG1-CE2 3.65Å; V253-F291 HydrophobicContact CG1-CG 4.17Å; V253-F291 HydrophobicContact CG1-CZ 3.5Å; V253-F291 VanDerWaalsContact CG1-CZ 3.5Å; V253-F291 HydrophobicContact CG2-CB 4.16Å; V253-F291 HydrophobicContact CG2-CD1 4.01Å; V253-F291 HydrophobicContact CG2-CD2 4.3Å; V253-F291 HydrophobicContact CG2-CE1 4.48Å; V253-F291 HydrophobicContact CG2-CG 3.91Å; V253-F291 VanDerWaalsContact O-CE1 3.23Å; V253-F291 WeakPolarHBondContact O-CE1 3.49Å; L256-F291 HydrophobicContact CB-CD1 3.8Å; L256-F291 HydrophobicContact CB-CE1 3.74Å; L256-F291 HydrophobicContact CD1-CD1 3.75Å; L256-F291 HydrophobicContact CG-CD1 4.44Å; P288-F291 HydrophobicContact CB-CB 3.99Å; P288-F291 HydrophobicContact CG-CB 4.46Å; P288-F291 CarbonylContact O-C 3.57Å; P288-F291 WeakPolarHBondContact O-CA 3.4Å; P288-F291 WeakPolarHBondContact O-CB 3.32Å; P288-F291 PolarHBondContact O-N 3.34Å; L289-F291 VanDerWaalsContact C-N 3.3Å; L289-F291 PolarHBondContact O-N 3.03Å; F291-D294 PolarHBondContact O-N 3.3Å; F291-T295 PolarHBondContact O-N 3.05Å; F291-T295 PolarHBondContact O-OG1 2.86Å
292	A	88.4	Confident	81.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-45	173.9	0	0	0	0	0	111.3	L256 F287 P288 L289 D294 T295 V296 I311 I315	L256-A292 HydrophobicContact CD1-CB 3.89Å; L256-A292 HydrophobicContact CD2-CB 4.41Å; F287-A292 HydrophobicContact CE1-CB 3.57Å; F287-A292 HydrophobicContact CZ-CB 3.5Å; P288-A292 PolarHBondContact O-N 3.39Å; L289-A292 PolarHBondContact O-N 3.17Å; A292-D294 VanDerWaalsContact C-N 3.28Å; A292-D294 PolarHBondContact O-N 3.23Å; A292-T295 WeakPolarHBondContact O-CA 3.15Å; A292-T295 VanDerWaalsContact O-CB 3.22Å; A292-T295 WeakPolarHBondContact O-CB 3.4Å; A292-T295 PolarHBondContact O-N 3.5Å; A292-V296 PolarHBondContact O-N 3.39Å; A292-I311 HydrophobicContact CB-CG2 4.25Å; A292-I315 VanDerWaalsContact C-CD1 3.41Å; A292-I315 HydrophobicContact CB-CD1 3.7Å; A292-I315 HydrophobicContact CB-CG1 3.62Å
293	I	87	Confident	81.9	Confident	12 Å²	12	42 Å²	42	6%	0.062	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-42.3	176	-69.6	165.8	0	0	0	110.8	L289 E290 T295 V296 K297 I315 Y324	L289-I293 HydrophobicContact CD1-CD1 4.32Å; L289-I293 HydrophobicContact CG-CD1 4.13Å; L289-I293 WeakPolarHBondContact O-CG1 3.46Å; L289-I293 PolarHBondContact O-N 3.03Å; E290-I293 PolarHBondContact O-N 2.91Å; I293-T295 VanDerWaalsContact C-N 3.32Å; I293-V296 PolarHBondContact O-N 3.05Å; I293-K297 VanDerWaalsContact CG2-CE 3.5Å; I293-K297 WeakPolarHBondContact O-CG 3.41Å; I293-K297 PolarHBondContact O-N 3.04Å; I293-I315 HydrophobicContact CG1-CD1 4.02Å; I293-I315 HydrophobicContact CG1-CG2 4.12Å; I293-Y324 HydrophobicContact CD1-CD1 3.73Å; I293-Y324 HydrophobicContact CD1-CE1 3.67Å; I293-Y324 HydrophobicContact CD1-CG 4.49Å; I293-Y324 HydrophobicContact CG1-CD1 4.12Å; I293-Y324 HydrophobicContact CG1-CE1 3.86Å; I293-Y324 HydrophobicContact CG1-CE2 4.44Å; I293-Y324 HydrophobicContact CG2-CD1 4.07Å; I293-Y324 HydrophobicContact CG2-CD2 3.83Å; I293-Y324 HydrophobicContact CG2-CE2 4.26Å; I293-Y324 HydrophobicContact CG2-CG 3.75Å
294	D	84.4	Confident	82.6	Confident	39 Å²	39	42.3 Å²	42.3	21%	0.209	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-33	176.2	-74.7	-6.6	0	0	0	112.6	I74 E290 F291 A292 K297 I298	I74-D294 HydrophobicContact CD1-CB 4.37Å; I74-D294 WeakPolarHBondContact CD1-OD1 3.44Å; I74-D294 HydrophobicContact CG1-CB 4.22Å; E290-D294 PolarHBondContact O-N 3.48Å; F291-D294 PolarHBondContact O-N 3.3Å; A292-D294 VanDerWaalsContact C-N 3.28Å; A292-D294 PolarHBondContact O-N 3.23Å; D294-K297 PolarHBondContact O-N 2.96Å; D294-K297 IonicContact OD1-NZ 3.56Å; D294-K297 PolarHBondContact OD1-NZ 3.25Å; D294-I298 WeakPolarHBondContact O-CB 3.4Å; D294-I298 WeakPolarHBondContact O-CD1 3.46Å; D294-I298 WeakPolarHBondContact O-CG1 3.31Å; D294-I298 PolarHBondContact O-N 2.89Å
295	T	87.6	Confident	84	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-46.2	172.8	-54.9	0	0	0	0	111.2	R73 L256 T260 F291 A292 I293 K297 I298 L299 I311	R73-T295 PolarHBondContact NH1-OG1 3.38Å; R73-T295 PolarHBondContact NH2-OG1 3.38Å; L256-T295 HydrophobicContact CD2-CG2 4.37Å; T260-T295 HydrophobicContact CG2-CG2 4.5Å; T260-T295 WeakPolarHBondContact OG1-CG2 3.45Å; F291-T295 PolarHBondContact O-N 3.05Å; F291-T295 PolarHBondContact O-OG1 2.86Å; A292-T295 WeakPolarHBondContact O-CA 3.15Å; A292-T295 VanDerWaalsContact O-CB 3.22Å; A292-T295 WeakPolarHBondContact O-CB 3.4Å; A292-T295 PolarHBondContact O-N 3.5Å; I293-T295 VanDerWaalsContact C-N 3.32Å; T295-K297 VanDerWaalsContact C-N 3.35Å; T295-K297 PolarHBondContact O-N 3.46Å; T295-I298 PolarHBondContact O-N 2.93Å; T295-L299 HydrophobicContact CG2-CD1 3.81Å; T295-L299 HydrophobicContact CG2-CG 4.36Å; T295-L299 WeakPolarHBondContact O-CB 3.48Å; T295-L299 WeakPolarHBondContact O-CG 3.35Å; T295-L299 PolarHBondContact O-N 3.21Å; T295-I311 HydrophobicContact CG2-CG1 4.36Å; T295-I311 HydrophobicContact CG2-CG2 4.43Å
296	V	91.4	Very high	85.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-46.5	175.7	174.7	0	0	0	0	111.3	A292 I293 I298 L299 L300 A308 I311 F312 I315 L328 F345	A292-V296 PolarHBondContact O-N 3.39Å; I293-V296 PolarHBondContact O-N 3.05Å; V296-I298 VanDerWaalsContact C-N 3.35Å; V296-I298 PolarHBondContact O-N 3.36Å; V296-L299 PolarHBondContact O-N 3.26Å; V296-L300 HydrophobicContact CG1-CD1 4.2Å; V296-L300 WeakPolarHBondContact O-CG 3.4Å; V296-L300 PolarHBondContact O-N 3.5Å; V296-A308 HydrophobicContact CG1-CB 4.24Å; V296-I311 HydrophobicContact CG2-CB 4.03Å; V296-I311 HydrophobicContact CG2-CG2 3.85Å; V296-F312 HydrophobicContact CG1-CB 4.46Å; V296-F312 HydrophobicContact CG1-CD2 4.42Å; V296-F312 HydrophobicContact CG2-CB 4.11Å; V296-I315 HydrophobicContact CG2-CD1 3.57Å; V296-L328 HydrophobicContact CG1-CD2 3.97Å; V296-F345 HydrophobicContact CG1-CE1 3.88Å
297	K	87	Confident	86.4	Confident	22 Å²	22	23.6 Å²	23.6	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-42.6	177.9	-65.9	169	-167.2	154.8	0	112.1	I74 I293 D294 T295 A301 Y331	I74-K297 HydrophobicContact CD1-CD 4.04Å; I293-K297 VanDerWaalsContact CG2-CE 3.5Å; I293-K297 WeakPolarHBondContact O-CG 3.41Å; I293-K297 PolarHBondContact O-N 3.04Å; D294-K297 PolarHBondContact O-N 2.96Å; D294-K297 IonicContact OD1-NZ 3.56Å; D294-K297 PolarHBondContact OD1-NZ 3.25Å; T295-K297 VanDerWaalsContact C-N 3.35Å; T295-K297 PolarHBondContact O-N 3.46Å; K297-A301 WeakPolarHBondContact O-CB 3.16Å; K297-A301 PolarHBondContact O-N 3.4Å; K297-Y331 HydrophobicContact CB-CD1 3.76Å; K297-Y331 HydrophobicContact CB-CD2 3.77Å; K297-Y331 HydrophobicContact CB-CE1 3.89Å; K297-Y331 HydrophobicContact CB-CE2 3.91Å; K297-Y331 HydrophobicContact CB-CG 3.71Å; K297-Y331 HydrophobicContact CD-CD2 4.14Å; K297-Y331 HydrophobicContact CD-CE1 4.38Å; K297-Y331 HydrophobicContact CD-CE2 3.53Å; K297-Y331 HydrophobicContact CG-CD1 4.46Å; K297-Y331 HydrophobicContact CG-CD2 3.59Å; K297-Y331 HydrophobicContact CG-CE1 4.41Å; K297-Y331 HydrophobicContact CG-CE2 3.54Å; K297-Y331 HydrophobicContact CG-CG 4.09Å; K297-Y331 WeakPolarHBondContact O-CB 3.04Å
298	I	84.5	Confident	87.1	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-47.1	179	-70.6	162.8	0	0	0	110.6	R73 A77 T260 D294 T295 V296 L300 A301 K302	R73-I298 HydrophobicContact CB-CD1 4.47Å; R73-I298 HydrophobicContact CG-CD1 3.74Å; R73-I298 WeakPolarHBondContact O-CD1 3.29Å; A77-I298 HydrophobicContact CB-CB 4.15Å; A77-I298 HydrophobicContact CB-CG1 3.82Å; A77-I298 HydrophobicContact CB-CG2 3.72Å; T260-I298 HydrophobicContact CG2-CG2 3.85Å; D294-I298 WeakPolarHBondContact O-CB 3.4Å; D294-I298 WeakPolarHBondContact O-CD1 3.46Å; D294-I298 WeakPolarHBondContact O-CG1 3.31Å; D294-I298 PolarHBondContact O-N 2.89Å; T295-I298 PolarHBondContact O-N 2.93Å; V296-I298 VanDerWaalsContact C-N 3.35Å; V296-I298 PolarHBondContact O-N 3.36Å; I298-L300 VanDerWaalsContact C-N 3.35Å; I298-L300 PolarHBondContact O-N 3.2Å; I298-A301 CarbonylContact O-C 3.58Å; I298-A301 PolarHBondContact O-N 2.9Å; I298-A301 VanDerWaalsContact O-N 3.17Å; I298-K302 HydrophobicContact CG2-CG 4.49Å; I298-K302 WeakPolarHBondContact O-CG 3.36Å; I298-K302 PolarHBondContact O-N 3.23Å
299	L	90.3	Very high	87.6	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-41.4	178.9	-71.7	168.4	0	0	0	111.7	Y259 T260 V263 T295 V296 K302 G303 R304 A307 A308 I311	Y259-L299 HydrophobicContact CD1-CD1 4.3Å; Y259-L299 HydrophobicContact CE1-CD1 3.98Å; T260-L299 HydrophobicContact CG2-CD2 3.81Å; T260-L299 HydrophobicContact CG2-CG 4.06Å; V263-L299 HydrophobicContact CB-CD2 4.45Å; V263-L299 HydrophobicContact CG1-CD2 4.14Å; T295-L299 HydrophobicContact CG2-CD1 3.81Å; T295-L299 HydrophobicContact CG2-CG 4.36Å; T295-L299 WeakPolarHBondContact O-CB 3.48Å; T295-L299 WeakPolarHBondContact O-CG 3.35Å; T295-L299 PolarHBondContact O-N 3.21Å; V296-L299 PolarHBondContact O-N 3.26Å; L299-K302 CarbonylContact O-C 3.57Å; L299-K302 PolarHBondContact O-N 3.08Å; L299-G303 PolarHBondContact O-N 2.98Å; L299-R304 HydrophobicContact CB-CB 4.32Å; L299-R304 HydrophobicContact CD2-CB 4.08Å; L299-R304 WeakPolarHBondContact O-CA 3.39Å; L299-R304 WeakPolarHBondContact O-CB 3.43Å; L299-R304 PolarHBondContact O-N 3.38Å; L299-A307 HydrophobicContact CD1-CB 4.05Å; L299-A307 HydrophobicContact CD2-CB 4.18Å; L299-A308 HydrophobicContact CB-CB 3.68Å; L299-A308 HydrophobicContact CD1-CB 4.5Å; L299-I311 HydrophobicContact CD1-CG1 4.32Å
300	L	87.9	Confident	88	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-44.8	172.5	-73	175.5	0	0	0	112.1	V296 I298 K302 G303 A308 L328 Y331 A332 G335 L337 L342 F345	V296-L300 HydrophobicContact CG1-CD1 4.2Å; V296-L300 WeakPolarHBondContact O-CG 3.4Å; V296-L300 PolarHBondContact O-N 3.5Å; I298-L300 VanDerWaalsContact C-N 3.35Å; I298-L300 PolarHBondContact O-N 3.2Å; L300-K302 PolarHBondContact O-N 3.45Å; L300-G303 PolarHBondContact O-N 3.4Å; L300-A308 HydrophobicContact CD2-CB 3.91Å; L300-A308 HydrophobicContact CG-CB 3.84Å; L300-L328 HydrophobicContact CD1-CB 3.99Å; L300-L328 HydrophobicContact CD1-CD2 3.79Å; L300-L328 HydrophobicContact CD1-CG 4.38Å; L300-Y331 CarbonylContact C-O 3.51Å; L300-A332 HydrophobicContact CB-CB 4.46Å; L300-A332 HydrophobicContact CD2-CB 4.26Å; L300-G335 WeakPolarHBondContact O-CA 3.43Å; L300-L337 HydrophobicContact CD2-CD1 3.93Å; L300-L342 HydrophobicContact CD1-CD2 4.1Å; L300-L342 HydrophobicContact CD2-CD2 4.27Å; L300-F345 HydrophobicContact CD2-CE2 4.14Å; L300-F345 HydrophobicContact CD2-CZ 3.81Å; L300-F345 HydrophobicContact CG-CZ 4.43Å
301	A	82.7	Confident	88.5	Confident	10 Å²	10	15.5 Å²	15.5	8%	0.083	8%	0.083	C	C	.	.	H	α-helix	trans	-66.9	-20.9	177.2	0	0	0	0	0	114.1	L78 K297 I298 Y331 A334 G335	L78-A301 HydrophobicContact CD2-CB 3.73Å; K297-A301 WeakPolarHBondContact O-CB 3.16Å; K297-A301 PolarHBondContact O-N 3.4Å; I298-A301 CarbonylContact O-C 3.58Å; I298-A301 PolarHBondContact O-N 2.9Å; I298-A301 VanDerWaalsContact O-N 3.17Å; A301-Y331 VanDerWaalsContact CA-O 3.24Å; A301-Y331 WeakPolarHBondContact CA-O 3.48Å; A301-Y331 HydrophobicContact CB-CD1 4.28Å; A301-Y331 PolarHBondContact N-O 3.45Å; A301-A334 HydrophobicContact CB-CB 4.44Å; A301-G335 WeakPolarHBondContact O-CA 3.45Å
302	K	81.4	Confident	89	Confident	60 Å²	60	14.7 Å²	14.7	26%	0.261	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.9	173	-65.4	-62	-173.8	-168.3	0	113.1	A77 I298 L299 L300 R304	A77-K302 WeakPolarHBondContact O-CE 3.32Å; A77-K302 PolarHBondContact O-NZ 2.95Å; I298-K302 HydrophobicContact CG2-CG 4.49Å; I298-K302 WeakPolarHBondContact O-CG 3.36Å; I298-K302 PolarHBondContact O-N 3.23Å; L299-K302 CarbonylContact O-C 3.57Å; L299-K302 PolarHBondContact O-N 3.08Å; L300-K302 PolarHBondContact O-N 3.45Å; K302-R304 HydrophobicContact CB-CG 4.43Å; K302-R304 PolarHBondContact O-NH1 3.42Å
303	G	83.7	Confident	89.1	Confident	8 Å²	8	20.1 Å²	20.1	8%	0.082	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	34.9	179.9	0	0	0	0	0	113.2	L299 L300 P305	L299-G303 PolarHBondContact O-N 2.98Å; L300-G303 PolarHBondContact O-N 3.4Å; G303-P305 VanDerWaalsContact O-CD 3.24Å; G303-P305 WeakPolarHBondContact O-CD 3.36Å
304	R	89.4	Confident	89.1	Confident	36 Å²	36	19.9 Å²	19.9	14%	0.136	10%	0.102	C	C	.	.			trans	-114	65.9	178.5	-60.5	-65.3	-172.3	-97.3	7.4	111.2	V263 L266 T269 L299 K302 A306 A307 A308	V263-R304 HydrophobicContact CG1-CB 4.07Å; V263-R304 HydrophobicContact CG1-CG 3.96Å; V263-R304 PolarHBondContact O-NE 3.01Å; L266-R304 PolarHBondContact O-NH2 2.95Å; T269-R304 WeakPolarHBondContact O-CD 3.42Å; L299-R304 HydrophobicContact CB-CB 4.32Å; L299-R304 HydrophobicContact CD2-CB 4.08Å; L299-R304 WeakPolarHBondContact O-CA 3.39Å; L299-R304 WeakPolarHBondContact O-CB 3.43Å; L299-R304 PolarHBondContact O-N 3.38Å; K302-R304 HydrophobicContact CB-CG 4.43Å; K302-R304 PolarHBondContact O-NH1 3.42Å; R304-A306 PolarHBondContact O-N 3.44Å; R304-A307 HydrophobicContact CB-CB 4.47Å; R304-A308 WeakPolarHBondContact O-CB 3.35Å; R304-A308 PolarHBondContact O-N 3.16Å; R304-A308 VanDerWaalsContact O-N 3.08Å
305	P	92.1	Very high	89.2	Confident	23 Å²	23	18.1 Å²	18.1	15%	0.149	9%	0.092	C	C	.	.	H	α-helix	trans	-66.8	-35.7	-172.2	26.8	-34.3	0	0	0	113.5	G303 A308 L309 L337	G303-P305 VanDerWaalsContact O-CD 3.24Å; G303-P305 WeakPolarHBondContact O-CD 3.36Å; P305-A308 PolarHBondContact O-N 2.92Å; P305-L309 WeakPolarHBondContact O-CB 3.22Å; P305-L309 PolarHBondContact O-N 3.42Å; P305-L337 HydrophobicContact CB-CD1 3.99Å; P305-L337 HydrophobicContact CG-CD1 4.31Å; P305-L337 HydrophobicContact CG-CD2 4.06Å
306	A	92.9	Very high	88.7	Confident	32 Å²	32	20.7 Å²	20.7	26%	0.264	10%	0.104	S	C	.	.	H	α-helix	trans	-62.3	-49.5	179.5	0	0	0	0	0	111.6	N270 T272 R304 A308 L309 E310	N270-A306 HydrophobicContact CB-CB 4.29Å; T272-A306 HydrophobicContact CG2-CB 3.99Å; R304-A306 PolarHBondContact O-N 3.44Å; A306-A308 PolarHBondContact O-N 3.14Å; A306-L309 WeakPolarHBondContact O-CB 3.21Å; A306-L309 PolarHBondContact O-N 3.34Å; A306-E310 PolarHBondContact O-N 3.18Å
307	A	93.3	Very high	87.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-38.4	175.7	0	0	0	0	0	113.4	Y259 V263 A271 T272 L299 R304 L309 E310 I311	Y259-A307 HydrophobicContact CE1-CB 3.79Å; Y259-A307 WeakPolarHBondContact OH-CA 3.41Å; Y259-A307 WeakPolarHBondContact OH-CB 3.49Å; V263-A307 HydrophobicContact CB-CB 4.3Å; V263-A307 HydrophobicContact CG1-CB 3.54Å; V263-A307 HydrophobicContact CG2-CB 4.08Å; A271-A307 WeakPolarHBondContact O-CB 3.44Å; T272-A307 HydrophobicContact CG2-CB 4.37Å; L299-A307 HydrophobicContact CD1-CB 4.05Å; L299-A307 HydrophobicContact CD2-CB 4.18Å; R304-A307 HydrophobicContact CB-CB 4.47Å; A307-L309 VanDerWaalsContact C-N 3.28Å; A307-L309 PolarHBondContact O-N 2.94Å; A307-E310 PolarHBondContact O-N 3.36Å; A307-I311 PolarHBondContact O-N 3.19Å
308	A	93.7	Very high	87.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-41.7	173.7	0	0	0	0	0	111.2	V296 L299 L300 R304 P305 A306 F312 F345	V296-A308 HydrophobicContact CG1-CB 4.24Å; L299-A308 HydrophobicContact CB-CB 3.68Å; L299-A308 HydrophobicContact CD1-CB 4.5Å; L300-A308 HydrophobicContact CD2-CB 3.91Å; L300-A308 HydrophobicContact CG-CB 3.84Å; R304-A308 WeakPolarHBondContact O-CB 3.35Å; R304-A308 PolarHBondContact O-N 3.16Å; R304-A308 VanDerWaalsContact O-N 3.08Å; P305-A308 PolarHBondContact O-N 2.92Å; A306-A308 PolarHBondContact O-N 3.14Å; A308-F312 WeakPolarHBondContact O-CB 3.3Å; A308-F312 PolarHBondContact O-N 3.42Å; A308-F345 HydrophobicContact CB-CE1 4.12Å; A308-F345 HydrophobicContact CB-CZ 3.71Å
309	L	93.8	Very high	86.2	Confident	27 Å²	27	32.4 Å²	32.4	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-37.7	178.4	-176.6	65.9	0	0	0	112.1	P305 A306 A307 F312 K313 P344 F345 V348	P305-L309 WeakPolarHBondContact O-CB 3.22Å; P305-L309 PolarHBondContact O-N 3.42Å; A306-L309 WeakPolarHBondContact O-CB 3.21Å; A306-L309 PolarHBondContact O-N 3.34Å; A307-L309 VanDerWaalsContact C-N 3.28Å; A307-L309 PolarHBondContact O-N 2.94Å; L309-F312 HydrophobicContact CD1-CD1 4.42Å; L309-F312 WeakPolarHBondContact O-CB 3.18Å; L309-F312 PolarHBondContact O-N 2.89Å; L309-K313 WeakPolarHBondContact O-CG 2.91Å; L309-K313 PolarHBondContact O-N 2.77Å; L309-P344 HydrophobicContact CD1-CB 3.81Å; L309-P344 HydrophobicContact CD2-CB 3.46Å; L309-P344 VanDerWaalsContact CD2-CB 3.46Å; L309-P344 HydrophobicContact CD2-CG 4.42Å; L309-P344 HydrophobicContact CG-CB 4.27Å; L309-F345 HydrophobicContact CB-CE1 4.32Å; L309-F345 HydrophobicContact CB-CE2 4.12Å; L309-F345 HydrophobicContact CB-CZ 3.85Å; L309-F345 HydrophobicContact CD1-CD1 4.19Å; L309-F345 HydrophobicContact CD1-CD2 4.02Å; L309-F345 HydrophobicContact CD1-CE1 4.34Å; L309-F345 HydrophobicContact CD1-CE2 4.19Å; L309-F345 HydrophobicContact CD1-CG 4.02Å; L309-F345 HydrophobicContact CD1-CZ 4.33Å; L309-V348 HydrophobicContact CD1-CG2 4.06Å
310	E	93.1	Very high	84.6	Confident	36 Å²	36	40.5 Å²	40.5	17%	0.168	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-48.4	178.2	-167.5	173.9	152.5	0	0	112.2	Y259 T272 S274 S277 A306 A307 F312 K313 I314	Y259-E310 PolarHBondContact OH-OE2 3.14Å; Y259-E310 VanDerWaalsContact OH-OE2 3.1Å; T272-E310 WeakPolarHBondContact CB-OE2 3.34Å; T272-E310 WeakPolarHBondContact CG2-OE2 3.5Å; S274-E310 VanDerWaalsContact CA-OE1 3.24Å; S274-E310 WeakPolarHBondContact CA-OE1 3.48Å; S274-E310 PolarHBondContact N-OE1 3.48Å; S277-E310 WeakPolarHBondContact CB-OE1 3.37Å; S277-E310 VanDerWaalsContact OG-CD 3.28Å; S277-E310 PolarHBondContact OG-OE1 2.87Å; A306-E310 PolarHBondContact O-N 3.18Å; A307-E310 PolarHBondContact O-N 3.36Å; E310-F312 VanDerWaalsContact C-N 3.3Å; E310-F312 PolarHBondContact O-N 2.99Å; E310-K313 PolarHBondContact O-N 3.28Å; E310-I314 PolarHBondContact O-N 3.2Å
311	I	92.5	Very high	83.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-36.2	173.7	-58.6	-54.7	0	0	0	111	L256 Y259 L280 A292 T295 V296 L299 A307 K313 I314 I315	L256-I311 HydrophobicContact CD2-CD1 3.89Å; L256-I311 HydrophobicContact CD2-CG1 4.41Å; L256-I311 HydrophobicContact CD2-CG2 3.87Å; Y259-I311 HydrophobicContact CD1-CD1 3.85Å; Y259-I311 HydrophobicContact CD1-CG1 3.88Å; Y259-I311 HydrophobicContact CE1-CD1 3.77Å; Y259-I311 HydrophobicContact CE1-CG1 3.57Å; Y259-I311 HydrophobicContact CG-CD1 4.26Å; L280-I311 HydrophobicContact CD1-CD1 4.09Å; A292-I311 HydrophobicContact CB-CG2 4.25Å; T295-I311 HydrophobicContact CG2-CG1 4.36Å; T295-I311 HydrophobicContact CG2-CG2 4.43Å; V296-I311 HydrophobicContact CG2-CB 4.03Å; V296-I311 HydrophobicContact CG2-CG2 3.85Å; L299-I311 HydrophobicContact CD1-CG1 4.32Å; A307-I311 PolarHBondContact O-N 3.19Å; I311-K313 VanDerWaalsContact C-N 3.34Å; I311-K313 PolarHBondContact O-N 3.38Å; I311-I314 HydrophobicContact CD1-CD1 4.23Å; I311-I314 WeakPolarHBondContact O-CB 2.84Å; I311-I314 PolarHBondContact O-N 3.24Å; I311-I314 VanDerWaalsContact O-N 3.15Å; I311-I315 HydrophobicContact CG2-CD1 4.13Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 3.25Å
312	F	91.7	Very high	82.5	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-37.9	176.4	-176.1	-97.5	0	0	0	112.9	V296 A308 L309 E310 I314 I315 H316 Y324 L325 L328 F345 V348 A349	V296-F312 HydrophobicContact CG1-CB 4.46Å; V296-F312 HydrophobicContact CG1-CD2 4.42Å; V296-F312 HydrophobicContact CG2-CB 4.11Å; A308-F312 WeakPolarHBondContact O-CB 3.3Å; A308-F312 PolarHBondContact O-N 3.42Å; L309-F312 HydrophobicContact CD1-CD1 4.42Å; L309-F312 WeakPolarHBondContact O-CB 3.18Å; L309-F312 PolarHBondContact O-N 2.89Å; E310-F312 VanDerWaalsContact C-N 3.3Å; E310-F312 PolarHBondContact O-N 2.99Å; F312-I314 VanDerWaalsContact C-N 3.28Å; F312-I314 PolarHBondContact O-N 3.24Å; F312-I315 WeakPolarHBondContact O-CB 3.4Å; F312-I315 PolarHBondContact O-N 3.44Å; F312-H316 PolarHBondContact O-N 2.93Å; F312-Y324 HydrophobicContact CD2-CE2 4.27Å; F312-Y324 AromaticContact CE2-CE2 3.83Å; F312-Y324 HydrophobicContact CE2-CE2 3.83Å; F312-Y324 AromaticContact CE2-CZ 3.93Å; F312-Y324 WeakPolarHBondContact CE2-OH 3.43Å; F312-L325 HydrophobicContact CE2-CD2 3.42Å; F312-L325 VanDerWaalsContact CE2-CD2 3.42Å; F312-L325 HydrophobicContact CZ-CD2 3.46Å; F312-L325 VanDerWaalsContact CZ-CD2 3.46Å; F312-L328 HydrophobicContact CE2-CD1 4.17Å; F312-F345 HydrophobicContact CB-CD1 3.85Å; F312-F345 HydrophobicContact CB-CE1 3.8Å; F312-F345 HydrophobicContact CD1-CB 4.32Å; F312-F345 AromaticContact CD1-CD1 3.76Å; F312-F345 HydrophobicContact CD1-CD1 3.76Å; F312-F345 HydrophobicContact CD1-CG 4.4Å; F312-F345 AromaticContact CD2-CD1 3.83Å; F312-F345 HydrophobicContact CD2-CD1 3.83Å; F312-F345 HydrophobicContact CD2-CE1 4.4Å; F312-F345 HydrophobicContact CE1-CB 4.11Å; F312-F345 HydrophobicContact CE1-CD1 4.26Å; F312-F345 VanDerWaalsContact CE1-O 3.22Å; F312-F345 WeakPolarHBondContact CE1-O 3.45Å; F312-F345 HydrophobicContact CE2-CD1 4.3Å; F312-F345 AromaticContact CG-CD1 3.52Å; F312-F345 HydrophobicContact CG-CD1 3.52Å; F312-F345 HydrophobicContact CG-CE1 4.01Å; F312-F345 HydrophobicContact CZ-CB 4.38Å; F312-V348 HydrophobicContact CD1-CB 4.04Å; F312-V348 HydrophobicContact CD1-CG1 3.75Å; F312-V348 HydrophobicContact CE1-CB 3.88Å; F312-V348 HydrophobicContact CE1-CG1 3.74Å; F312-A349 HydrophobicContact CE1-CB 4.32Å; F312-A349 HydrophobicContact CZ-CB 4.1Å
313	K	89.9	Confident	81.9	Confident	114 Å²	114	50.3 Å²	50.3	50%	0.496	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-36.7	173.2	-73.5	170.7	178.5	-179.6	0	112.1	L309 E310 I311 V348	L309-K313 WeakPolarHBondContact O-CG 2.91Å; L309-K313 PolarHBondContact O-N 2.77Å; E310-K313 PolarHBondContact O-N 3.28Å; I311-K313 VanDerWaalsContact C-N 3.34Å; I311-K313 PolarHBondContact O-N 3.38Å; K313-V348 HydrophobicContact CD-CG2 4.5Å; K313-V348 HydrophobicContact CG-CG1 3.91Å; K313-V348 HydrophobicContact CG-CG2 3.81Å
314	I	88.1	Confident	81.4	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.036	25%	0.25	C	C	.	.	H	α-helix	trans	-66.9	-44.2	174.3	-54.8	176.4	0	0	0	110.5	L280 L281 F287 E310 I311 F312 H316 N317	L280-I314 HydrophobicContact CB-CD1 4.02Å; L280-I314 HydrophobicContact CD1-CD1 4.38Å; L281-I314 HydrophobicContact CD1-CG1 4.47Å; L281-I314 HydrophobicContact CD2-CB 4.3Å; L281-I314 HydrophobicContact CD2-CG1 3.95Å; L281-I314 HydrophobicContact CD2-CG2 3.94Å; L281-I314 HydrophobicContact CG-CD1 4.24Å; L281-I314 HydrophobicContact CG-CG1 3.98Å; L281-I314 HydrophobicContact CG-CG2 4.43Å; F287-I314 HydrophobicContact CD2-CG2 4.35Å; F287-I314 HydrophobicContact CE1-CG2 4.35Å; F287-I314 HydrophobicContact CE2-CG2 3.56Å; F287-I314 HydrophobicContact CZ-CB 4.38Å; F287-I314 HydrophobicContact CZ-CG2 3.55Å; E310-I314 PolarHBondContact O-N 3.2Å; I311-I314 HydrophobicContact CD1-CD1 4.23Å; I311-I314 WeakPolarHBondContact O-CB 2.84Å; I311-I314 PolarHBondContact O-N 3.24Å; I311-I314 VanDerWaalsContact O-N 3.15Å; F312-I314 VanDerWaalsContact C-N 3.28Å; F312-I314 PolarHBondContact O-N 3.24Å; I314-H316 VanDerWaalsContact C-N 3.32Å; I314-H316 PolarHBondContact O-N 3.23Å; I314-N317 WeakPolarHBondContact O-CB 3.39Å; I314-N317 PolarHBondContact O-N 3.42Å
315	I	86.4	Confident	81.1	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-37.7	178.2	-68.2	166.7	0	0	0	111.9	F287 L289 A292 I293 V296 I311 F312 N317 Y318 Y324	F287-I315 HydrophobicContact CE1-CG1 4.22Å; F287-I315 HydrophobicContact CZ-CG1 4.48Å; L289-I315 HydrophobicContact CD1-CB 4.39Å; L289-I315 HydrophobicContact CD1-CG1 4.36Å; L289-I315 HydrophobicContact CD1-CG2 3.75Å; A292-I315 VanDerWaalsContact C-CD1 3.41Å; A292-I315 HydrophobicContact CB-CD1 3.7Å; A292-I315 HydrophobicContact CB-CG1 3.62Å; I293-I315 HydrophobicContact CG1-CD1 4.02Å; I293-I315 HydrophobicContact CG1-CG2 4.12Å; V296-I315 HydrophobicContact CG2-CD1 3.57Å; I311-I315 HydrophobicContact CG2-CD1 4.13Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 3.25Å; F312-I315 WeakPolarHBondContact O-CB 3.4Å; F312-I315 PolarHBondContact O-N 3.44Å; I315-N317 PolarHBondContact O-N 3.43Å; I315-N317 VanDerWaalsContact O-N 3.12Å; I315-Y318 WeakPolarHBondContact O-CA 3.21Å; I315-Y318 WeakPolarHBondContact O-CB 3.35Å; I315-Y318 PolarHBondContact O-N 2.91Å; I315-Y324 VanDerWaalsContact CG2-OH 3.25Å; I315-Y324 WeakPolarHBondContact CG2-OH 3.24Å
316	H	77.2	Confident	80.2	Confident	53 Å²	53	50 Å²	50	25%	0.245	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-23.6	-176.7	-176.4	60.6	0	0	0	113.2	F312 I314 Y318 V348 A349	F312-H316 PolarHBondContact O-N 2.93Å; I314-H316 VanDerWaalsContact C-N 3.32Å; I314-H316 PolarHBondContact O-N 3.23Å; H316-Y318 PolarHBondContact O-N 3.27Å; H316-V348 HydrophobicContact CB-CG1 3.86Å; H316-V348 PolarHBondContact CD2-O 3.42Å; H316-V348 PolarHBondContact CE1-O 3.37Å; H316-V348 PolarHBondContact ND1-O 3.41Å; H316-V348 PolarHBondContact NE2-O 3.07Å; H316-A349 PolarHBondContact CE1-O 3.14Å
317	N	74.9	Confident	79.5	Confident	105 Å²	105	52.4 Å²	52.4	56%	0.561	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-6	170.8	-62.6	-27.9	0	0	0	113.4	I314 I315	I314-N317 WeakPolarHBondContact O-CB 3.39Å; I314-N317 PolarHBondContact O-N 3.42Å; I315-N317 PolarHBondContact O-N 3.43Å; I315-N317 VanDerWaalsContact O-N 3.12Å
318	Y	72.3	Confident	79.2	Confident	85 Å²	85	52.4 Å²	52.4	33%	0.333	25%	0.252	S	S	.	.	S	Bend	trans	-124.6	79.8	177.5	-57.3	-87.7	0	0	0	110.6	F287 L289 I315 H316 E320	F287-Y318 HydrophobicContact CB-CE2 4.13Å; F287-Y318 HydrophobicContact CD1-CD2 4.05Å; F287-Y318 AromaticContact CD1-CE2 3.7Å; F287-Y318 HydrophobicContact CD1-CE2 3.7Å; F287-Y318 HydrophobicContact CE1-CD2 4.46Å; F287-Y318 HydrophobicContact CE1-CE2 4.34Å; F287-Y318 AromaticContact CG-CE2 3.98Å; F287-Y318 HydrophobicContact CG-CE2 3.98Å; L289-Y318 HydrophobicContact CD1-CD2 4.46Å; L289-Y318 HydrophobicContact CD1-CG 4.41Å; I315-Y318 WeakPolarHBondContact O-CA 3.21Å; I315-Y318 WeakPolarHBondContact O-CB 3.35Å; I315-Y318 PolarHBondContact O-N 2.91Å; H316-Y318 PolarHBondContact O-N 3.27Å; Y318-E320 VanDerWaalsContact C-N 3.26Å; Y318-E320 PolarHBondContact O-N 3.35Å; Y318-E320 VanDerWaalsContact O-N 3.12Å
319	P	61.9	Low	78.6	Confident	80 Å²	80	52.6 Å²	52.6	52%	0.519	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-5	-165.8	25.8	-34.4	0	0	0	116.1	H321 H322	P319-H321 PolarHBondContact O-N 3.29Å; P319-H322 PolarHBondContact O-CD2 3.12Å; P319-H322 PolarHBondContact O-NE2 3.26Å
320	E	58.4	Low	77.7	Confident	171 Å²	171	52.5 Å²	52.5	80%	0.799	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-0.5	-167.6	-61.1	-157.2	162.6	0	0	115.9	Y318	Y318-E320 VanDerWaalsContact C-N 3.26Å; Y318-E320 PolarHBondContact O-N 3.35Å; Y318-E320 VanDerWaalsContact O-N 3.12Å
321	H	58.4	Low	77	Confident	89 Å²	89	51.3 Å²	51.3	41%	0.412	25%	0.247	S	C	.	.			trans	-135.1	57.2	-168.8	-61.2	-31.7	0	0	0	115.5	L289 P319 E323 Y324	L289-H321 VanDerWaalsContact CD2-CD2 3.41Å; L289-H321 WeakPolarHBondContact CD2-CD2 3.47Å; P319-H321 PolarHBondContact O-N 3.29Å; H321-E323 PolarHBondContact O-N 2.83Å; H321-Y324 HydrophobicContact CB-CD1 4.25Å; H321-Y324 HydrophobicContact CB-CE1 4.26Å; H321-Y324 WeakPolarHBondContact O-CD1 3.33Å; H321-Y324 WeakPolarHBondContact O-CE1 3.37Å
322	H	67	Low	76.5	Confident	92 Å²	92	51.3 Å²	51.3	43%	0.426	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-68.3	-12.2	176.4	-67.9	-85.2	0	0	0	115.3	P319 Y324 L325	P319-H322 PolarHBondContact O-CD2 3.12Å; P319-H322 PolarHBondContact O-NE2 3.26Å; H322-Y324 PolarHBondContact O-N 3.48Å; H322-Y324 VanDerWaalsContact O-N 3.14Å; H322-L325 HydrophobicContact CB-CD1 4.11Å; H322-L325 WeakPolarHBondContact ND1-CD1 3.46Å; H322-L325 WeakPolarHBondContact O-CB 3.41Å; H322-L325 WeakPolarHBondContact O-CG 3.19Å; H322-L325 PolarHBondContact O-N 3.4Å; H322-L325 VanDerWaalsContact O-N 3.14Å
323	E	68.4	Low	75.6	Confident	94 Å²	94	52.1 Å²	52.1	44%	0.439	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.6	-31.2	-175.2	-164.2	-173.7	165.7	0	0	113.1	R12 H321 S326	R12-E323 IonicContact CZ-OE1 3.38Å; R12-E323 IonicContact CZ-OE2 2.95Å; R12-E323 IonicContact NH1-OE1 3.01Å; R12-E323 PolarHBondContact NH1-OE1 3.35Å; R12-E323 IonicContact NH1-OE2 3.53Å; R12-E323 PolarHBondContact NH1-OE2 2.94Å; R12-E323 IonicContact NH2-OE1 3.8Å; R12-E323 IonicContact NH2-OE2 2.77Å; R12-E323 PolarHBondContact NH2-OE2 2.94Å; H321-E323 PolarHBondContact O-N 2.83Å; E323-S326 PolarHBondContact O-OG 3.4Å
324	Y	74.9	Confident	74.7	Confident	25 Å²	25	48.7 Å²	48.7	10%	0.098	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-77.4	-19	-178	76.1	-95.2	0	0	0	113.8	I293 F312 I315 H321 H322 S326 K327 L328	I293-Y324 HydrophobicContact CD1-CD1 3.73Å; I293-Y324 HydrophobicContact CD1-CE1 3.67Å; I293-Y324 HydrophobicContact CD1-CG 4.49Å; I293-Y324 HydrophobicContact CG1-CD1 4.12Å; I293-Y324 HydrophobicContact CG1-CE1 3.86Å; I293-Y324 HydrophobicContact CG1-CE2 4.44Å; I293-Y324 HydrophobicContact CG2-CD1 4.07Å; I293-Y324 HydrophobicContact CG2-CD2 3.83Å; I293-Y324 HydrophobicContact CG2-CE2 4.26Å; I293-Y324 HydrophobicContact CG2-CG 3.75Å; F312-Y324 HydrophobicContact CD2-CE2 4.27Å; F312-Y324 AromaticContact CE2-CE2 3.83Å; F312-Y324 HydrophobicContact CE2-CE2 3.83Å; F312-Y324 AromaticContact CE2-CZ 3.93Å; F312-Y324 WeakPolarHBondContact CE2-OH 3.43Å; I315-Y324 VanDerWaalsContact CG2-OH 3.25Å; I315-Y324 WeakPolarHBondContact CG2-OH 3.24Å; H321-Y324 HydrophobicContact CB-CD1 4.25Å; H321-Y324 HydrophobicContact CB-CE1 4.26Å; H321-Y324 WeakPolarHBondContact O-CD1 3.33Å; H321-Y324 WeakPolarHBondContact O-CE1 3.37Å; H322-Y324 PolarHBondContact O-N 3.48Å; H322-Y324 VanDerWaalsContact O-N 3.14Å; Y324-S326 PolarHBondContact O-N 3.35Å; Y324-K327 WeakPolarHBondContact O-CA 3.33Å; Y324-K327 WeakPolarHBondContact O-CB 3.21Å; Y324-K327 PolarHBondContact O-N 3.08Å; Y324-L328 HydrophobicContact CD2-CD2 4.16Å; Y324-L328 HydrophobicContact CD2-CG 4.47Å; Y324-L328 HydrophobicContact CE2-CD2 4.37Å
325	L	82	Confident	73.9	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-56.3	-40.8	-179	-64.6	-179.3	0	0	0	111.4	F312 H322 K327 L328 W346 A349 M351 L359	F312-L325 HydrophobicContact CE2-CD2 3.42Å; F312-L325 VanDerWaalsContact CE2-CD2 3.42Å; F312-L325 HydrophobicContact CZ-CD2 3.46Å; F312-L325 VanDerWaalsContact CZ-CD2 3.46Å; H322-L325 HydrophobicContact CB-CD1 4.11Å; H322-L325 WeakPolarHBondContact ND1-CD1 3.46Å; H322-L325 WeakPolarHBondContact O-CB 3.41Å; H322-L325 WeakPolarHBondContact O-CG 3.19Å; H322-L325 PolarHBondContact O-N 3.4Å; H322-L325 VanDerWaalsContact O-N 3.14Å; L325-K327 PolarHBondContact O-N 2.96Å; L325-L328 HydrophobicContact CD2-CD1 4Å; L325-L328 WeakPolarHBondContact O-CB 3.27Å; L325-L328 PolarHBondContact O-N 2.83Å; L325-W346 HydrophobicContact CB-CZ3 4.18Å; L325-A349 HydrophobicContact CD1-CB 4.05Å; L325-M351 HydrophobicContact CD1-SD 4.02Å; L325-L359 HydrophobicContact CB-CD2 3.99Å
326	S	72.9	Confident	73.1	Confident	31 Å²	31	52.5 Å²	52.5	22%	0.217	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-11.1	177.9	77.2	0	0	0	0	114.9	E323 Y324 L359 K362	E323-S326 PolarHBondContact O-OG 3.4Å; Y324-S326 PolarHBondContact O-N 3.35Å; S326-L359 VanDerWaalsContact CA-CD1 3.45Å; S326-K362 PolarHBondContact OG-NZ 2.98Å
327	K	77.9	Confident	73.2	Confident	84 Å²	84	51.6 Å²	51.6	37%	0.365	29%	0.285	S	S	.	.	H	α-helix	trans	-96.4	-13	175.1	-58.1	177.4	-176.4	168.8	0	112.5	Y324 L325 A329 L330 Y331	Y324-K327 WeakPolarHBondContact O-CA 3.33Å; Y324-K327 WeakPolarHBondContact O-CB 3.21Å; Y324-K327 PolarHBondContact O-N 3.08Å; L325-K327 PolarHBondContact O-N 2.96Å; K327-A329 VanDerWaalsContact C-N 3.27Å; K327-A329 PolarHBondContact O-N 2.83Å; K327-L330 WeakPolarHBondContact O-CB 3.34Å; K327-L330 PolarHBondContact O-N 3.44Å; K327-Y331 HydrophobicContact CB-CE2 4.26Å; K327-Y331 WeakPolarHBondContact O-CD2 3.5Å
328	L	86.8	Confident	73.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-36.4	-178.8	-63.2	-179.4	0	0	0	112.3	V296 L300 F312 Y324 L325 L330 Y331 A332 L342 F345 W346	V296-L328 HydrophobicContact CG1-CD2 3.97Å; L300-L328 HydrophobicContact CD1-CB 3.99Å; L300-L328 HydrophobicContact CD1-CD2 3.79Å; L300-L328 HydrophobicContact CD1-CG 4.38Å; F312-L328 HydrophobicContact CE2-CD1 4.17Å; Y324-L328 HydrophobicContact CD2-CD2 4.16Å; Y324-L328 HydrophobicContact CD2-CG 4.47Å; Y324-L328 HydrophobicContact CE2-CD2 4.37Å; L325-L328 HydrophobicContact CD2-CD1 4Å; L325-L328 WeakPolarHBondContact O-CB 3.27Å; L325-L328 PolarHBondContact O-N 2.83Å; L328-L330 PolarHBondContact O-N 2.92Å; L328-Y331 PolarHBondContact O-N 2.98Å; L328-Y331 VanDerWaalsContact O-N 3.11Å; L328-A332 WeakPolarHBondContact O-CB 3.21Å; L328-A332 PolarHBondContact O-N 3.3Å; L328-L342 HydrophobicContact CB-CD1 4.46Å; L328-L342 HydrophobicContact CB-CD2 3.93Å; L328-F345 HydrophobicContact CD1-CB 4.38Å; L328-F345 HydrophobicContact CD1-CD1 4.02Å; L328-F345 HydrophobicContact CD1-CG 4.42Å; L328-W346 HydrophobicContact CB-CH2 4.25Å; L328-W346 HydrophobicContact CD1-CH2 4.42Å; L328-W346 HydrophobicContact CD1-CZ3 4.08Å
329	A	82.1	Confident	73.8	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-53.9	-35.4	172.8	0	0	0	0	0	113.8	K327 A333 L342 Y366 F367	K327-A329 VanDerWaalsContact C-N 3.27Å; K327-A329 PolarHBondContact O-N 2.83Å; A329-A333 VanDerWaalsContact O-CB 3.24Å; A329-A333 WeakPolarHBondContact O-CB 3.33Å; A329-A333 PolarHBondContact O-N 3.29Å; A329-L342 VanDerWaalsContact CA-CD1 3.49Å; A329-L342 HydrophobicContact CB-CD1 3.93Å; A329-Y366 HydrophobicContact CB-CD2 4.49Å; A329-F367 HydrophobicContact CB-CD2 4.45Å; A329-F367 HydrophobicContact CB-CE2 3.92Å
330	L	74.5	Confident	74.8	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.131	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-46.5	178.2	-161.7	71.8	0	0	0	111.8	I19 L23 K327 L328 A334 Y366	I19-L330 HydrophobicContact CB-CD2 4.36Å; I19-L330 HydrophobicContact CD1-CD2 4.38Å; I19-L330 HydrophobicContact CG2-CD1 4.13Å; I19-L330 HydrophobicContact CG2-CD2 3.42Å; I19-L330 VanDerWaalsContact CG2-CD2 3.42Å; I19-L330 HydrophobicContact CG2-CG 3.84Å; L23-L330 HydrophobicContact CD1-CD1 3.06Å; L23-L330 HydrophobicContact CD1-CD2 4.47Å; L23-L330 HydrophobicContact CD1-CG 3.53Å; K327-L330 WeakPolarHBondContact O-CB 3.34Å; K327-L330 PolarHBondContact O-N 3.44Å; L328-L330 PolarHBondContact O-N 2.92Å; L330-A334 PolarHBondContact O-N 2.84Å; L330-Y366 HydrophobicContact CD1-CE1 4.38Å
331	Y	78.5	Confident	76.2	Confident	12 Å²	12	45 Å²	45	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-77.9	-39.3	-176.6	-65.6	-78.4	0	0	0	111.6	I74 L78 K297 L300 A301 K327 L328 A333 A334 G335	I74-Y331 HydrophobicContact CG2-CD1 4.39Å; I74-Y331 HydrophobicContact CG2-CE1 3.34Å; L78-Y331 HydrophobicContact CD1-CD1 4.37Å; L78-Y331 HydrophobicContact CD1-CE1 3.83Å; L78-Y331 HydrophobicContact CD2-CD1 4.03Å; L78-Y331 HydrophobicContact CD2-CE1 4.32Å; L78-Y331 HydrophobicContact CG-CD1 4.44Å; L78-Y331 HydrophobicContact CG-CE1 4.31Å; K297-Y331 HydrophobicContact CB-CD1 3.76Å; K297-Y331 HydrophobicContact CB-CD2 3.77Å; K297-Y331 HydrophobicContact CB-CE1 3.89Å; K297-Y331 HydrophobicContact CB-CE2 3.91Å; K297-Y331 HydrophobicContact CB-CG 3.71Å; K297-Y331 HydrophobicContact CD-CD2 4.14Å; K297-Y331 HydrophobicContact CD-CE1 4.38Å; K297-Y331 HydrophobicContact CD-CE2 3.53Å; K297-Y331 HydrophobicContact CG-CD1 4.46Å; K297-Y331 HydrophobicContact CG-CD2 3.59Å; K297-Y331 HydrophobicContact CG-CE1 4.41Å; K297-Y331 HydrophobicContact CG-CE2 3.54Å; K297-Y331 HydrophobicContact CG-CG 4.09Å; K297-Y331 WeakPolarHBondContact O-CB 3.04Å; L300-Y331 CarbonylContact C-O 3.51Å; A301-Y331 VanDerWaalsContact CA-O 3.24Å; A301-Y331 WeakPolarHBondContact CA-O 3.48Å; A301-Y331 HydrophobicContact CB-CD1 4.28Å; A301-Y331 PolarHBondContact N-O 3.45Å; K327-Y331 HydrophobicContact CB-CE2 4.26Å; K327-Y331 WeakPolarHBondContact O-CD2 3.5Å; L328-Y331 PolarHBondContact O-N 2.98Å; L328-Y331 VanDerWaalsContact O-N 3.11Å; Y331-A333 VanDerWaalsContact C-N 3.34Å; Y331-A333 PolarHBondContact O-N 3.37Å; Y331-A334 WeakPolarHBondContact O-CB 3.36Å; Y331-A334 PolarHBondContact O-N 2.97Å; Y331-G335 PolarHBondContact O-N 3.08Å
332	A	83	Confident	77.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-42	175.9	0	0	0	0	0	111.6	L300 L328 A334 G335 G336 L337 L342 F367	L300-A332 HydrophobicContact CB-CB 4.46Å; L300-A332 HydrophobicContact CD2-CB 4.26Å; L328-A332 WeakPolarHBondContact O-CB 3.21Å; L328-A332 PolarHBondContact O-N 3.3Å; A332-A334 VanDerWaalsContact C-N 3.34Å; A332-A334 PolarHBondContact O-N 3.31Å; A332-G335 PolarHBondContact O-N 2.85Å; A332-G336 PolarHBondContact O-N 2.95Å; A332-L337 HydrophobicContact CB-CB 4.22Å; A332-L337 HydrophobicContact CB-CD1 4.03Å; A332-L337 VanDerWaalsContact O-CB 3.29Å; A332-L337 WeakPolarHBondContact O-CB 3.35Å; A332-L337 PolarHBondContact O-N 3.48Å; A332-L342 HydrophobicContact CB-CD1 4.23Å; A332-L342 HydrophobicContact CB-CD2 3.91Å; A332-L342 HydrophobicContact CB-CG 4.15Å; A332-F367 HydrophobicContact CB-CE1 4.33Å; A332-F367 HydrophobicContact CB-CZ 3.65Å
333	A	72.3	Confident	78.6	Confident	18 Å²	18	38.3 Å²	38.3	15%	0.149	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-41.4	172.3	0	0	0	0	0	112.6	A329 Y331 G335 G336 F367 T370	A329-A333 VanDerWaalsContact O-CB 3.24Å; A329-A333 WeakPolarHBondContact O-CB 3.33Å; A329-A333 PolarHBondContact O-N 3.29Å; Y331-A333 VanDerWaalsContact C-N 3.34Å; Y331-A333 PolarHBondContact O-N 3.37Å; A333-G335 VanDerWaalsContact C-N 3.27Å; A333-G335 PolarHBondContact O-N 3.21Å; A333-G336 PolarHBondContact O-N 3.27Å; A333-G336 VanDerWaalsContact O-N 3.1Å; A333-F367 HydrophobicContact CB-CD1 4.02Å; A333-F367 HydrophobicContact CB-CE1 3.81Å; A333-F367 HydrophobicContact CB-CZ 4.44Å; A333-T370 HydrophobicContact CB-CG2 4.29Å; A333-T370 WeakPolarHBondContact CB-OG1 3.49Å
334	A	70.8	Confident	79.7	Confident	43 Å²	43	36.4 Å²	36.4	36%	0.355	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-33.5	176.8	0	0	0	0	0	112.9	L23 L78 A301 L330 Y331 A332 G336	L23-A334 HydrophobicContact CD2-CB 3.83Å; L78-A334 HydrophobicContact CD2-CB 3.58Å; A301-A334 HydrophobicContact CB-CB 4.44Å; L330-A334 PolarHBondContact O-N 2.84Å; Y331-A334 WeakPolarHBondContact O-CB 3.36Å; Y331-A334 PolarHBondContact O-N 2.97Å; A332-A334 VanDerWaalsContact C-N 3.34Å; A332-A334 PolarHBondContact O-N 3.31Å; A334-G336 PolarHBondContact O-N 3.45Å
335	G	71.7	Confident	80.4	Confident	20 Å²	20	35.2 Å²	35.2	21%	0.206	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	8.7	175.1	0	0	0	0	0	115.1	L300 A301 Y331 A332 A333 L337	L300-G335 WeakPolarHBondContact O-CA 3.43Å; A301-G335 WeakPolarHBondContact O-CA 3.45Å; Y331-G335 PolarHBondContact O-N 3.08Å; A332-G335 PolarHBondContact O-N 2.85Å; A333-G335 VanDerWaalsContact C-N 3.27Å; A333-G335 PolarHBondContact O-N 3.21Å; G335-L337 VanDerWaalsContact C-N 3.3Å; G335-L337 PolarHBondContact O-N 2.86Å
336	G	69.5	Low	80.6	Confident	69 Å²	69	35.2 Å²	35.2	71%	0.711	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	19.8	179.9	0	0	0	0	0	114.6	A332 A333 A334	A332-G336 PolarHBondContact O-N 2.95Å; A333-G336 PolarHBondContact O-N 3.27Å; A333-G336 VanDerWaalsContact O-N 3.1Å; A334-G336 PolarHBondContact O-N 3.45Å
337	L	79.5	Confident	81.2	Confident	34 Å²	34	39.9 Å²	39.9	18%	0.178	23%	0.229	C	C	.	.			trans	-81.7	165.3	176.1	-55.5	175	0	0	0	110.8	L300 P305 A332 G335 A341 F367	L300-L337 HydrophobicContact CD2-CD1 3.93Å; P305-L337 HydrophobicContact CB-CD1 3.99Å; P305-L337 HydrophobicContact CG-CD1 4.31Å; P305-L337 HydrophobicContact CG-CD2 4.06Å; A332-L337 HydrophobicContact CB-CB 4.22Å; A332-L337 HydrophobicContact CB-CD1 4.03Å; A332-L337 VanDerWaalsContact O-CB 3.29Å; A332-L337 WeakPolarHBondContact O-CB 3.35Å; A332-L337 PolarHBondContact O-N 3.48Å; G335-L337 VanDerWaalsContact C-N 3.3Å; G335-L337 PolarHBondContact O-N 2.86Å; L337-A341 HydrophobicContact CB-CB 3.88Å; L337-A341 HydrophobicContact CD1-CB 4.16Å; L337-A341 HydrophobicContact CG-CB 4.44Å; L337-F367 WeakPolarHBondContact O-CE1 3.36Å
338	E	79.3	Confident	81.5	Confident	137 Å²	137	37.3 Å²	37.3	64%	0.64	22%	0.221	S	C	*	.			trans	-99.9	167.7	169.8	-57.1	-167.2	149.6	0	0	110.9	E340 A341	E338-E340 WeakPolarHBondContact CB-OE2 3.23Å; E338-E340 PolarHBondContact O-N 3.44Å; E338-A341 VanDerWaalsContact O-CB 3.26Å; E338-A341 WeakPolarHBondContact O-CB 3.38Å; E338-A341 PolarHBondContact O-N 3.4Å
339	H	80.9	Confident	81.2	Confident	44 Å²	44	37.5 Å²	37.5	20%	0.204	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.5	-27.5	-176.4	71.8	-72.5	0	0	0	113.6	A341 L342 K364 F367	H339-A341 PolarHBondContact O-N 3.24Å; H339-L342 PolarHBondContact O-N 2.85Å; H339-L342 VanDerWaalsContact O-N 3.16Å; H339-K364 VanDerWaalsContact CD2-CG 3.41Å; H339-K364 WeakPolarHBondContact CD2-CG 3.06Å; H339-K364 VanDerWaalsContact NE2-CE 3.27Å; H339-K364 WeakPolarHBondContact NE2-CE 3.29Å; H339-F367 VanDerWaalsContact CA-CE2 3.41Å; H339-F367 HydrophobicContact CB-CB 4.18Å; H339-F367 HydrophobicContact CB-CD2 3.32Å; H339-F367 HydrophobicContact CB-CE2 3.74Å; H339-F367 HydrophobicContact CB-CG 3.8Å; H339-F367 HydrophobicContact CB-CZ 4.49Å
340	E	83	Confident	80.9	Confident	95 Å²	95	41.9 Å²	41.9	44%	0.444	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-59	-30.9	174.4	-67.2	82.9	175.3	0	0	112	E338 L342 E343	E338-E340 WeakPolarHBondContact CB-OE2 3.23Å; E338-E340 PolarHBondContact O-N 3.44Å; E340-L342 PolarHBondContact O-N 3.34Å; E340-L342 VanDerWaalsContact O-N 3.07Å; E340-E343 WeakPolarHBondContact O-CB 3.26Å; E340-E343 PolarHBondContact O-N 3.35Å
341	A	86	Confident	80.6	Confident	25 Å²	25	42.2 Å²	42.2	21%	0.207	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-63.2	-17	178.5	0	0	0	0	0	113	L337 E338 H339 F345	L337-A341 HydrophobicContact CB-CB 3.88Å; L337-A341 HydrophobicContact CD1-CB 4.16Å; L337-A341 HydrophobicContact CG-CB 4.44Å; E338-A341 VanDerWaalsContact O-CB 3.26Å; E338-A341 WeakPolarHBondContact O-CB 3.38Å; E338-A341 PolarHBondContact O-N 3.4Å; H339-A341 PolarHBondContact O-N 3.24Å; A341-F345 WeakPolarHBondContact O-CE2 3.46Å
342	L	89.5	Confident	80.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-93.9	-12.1	177.8	-61.6	175.7	0	0	0	114	L300 L328 A329 A332 H339 E340 P344 F345 W346 F367	L300-L342 HydrophobicContact CD1-CD2 4.1Å; L300-L342 HydrophobicContact CD2-CD2 4.27Å; L328-L342 HydrophobicContact CB-CD1 4.46Å; L328-L342 HydrophobicContact CB-CD2 3.93Å; A329-L342 VanDerWaalsContact CA-CD1 3.49Å; A329-L342 HydrophobicContact CB-CD1 3.93Å; A332-L342 HydrophobicContact CB-CD1 4.23Å; A332-L342 HydrophobicContact CB-CD2 3.91Å; A332-L342 HydrophobicContact CB-CG 4.15Å; H339-L342 PolarHBondContact O-N 2.85Å; H339-L342 VanDerWaalsContact O-N 3.16Å; E340-L342 PolarHBondContact O-N 3.34Å; E340-L342 VanDerWaalsContact O-N 3.07Å; L342-P344 VanDerWaalsContact C-CD 3.49Å; L342-P344 VanDerWaalsContact C-N 3.33Å; L342-F345 HydrophobicContact CD2-CD2 4.13Å; L342-F345 HydrophobicContact CD2-CE2 4.4Å; L342-F345 HydrophobicContact CD2-CG 4.5Å; L342-F345 VanDerWaalsContact O-CB 3.32Å; L342-F345 WeakPolarHBondContact O-CB 3.22Å; L342-F345 PolarHBondContact O-N 3.11Å; L342-W346 HydrophobicContact CB-CD2 4.39Å; L342-W346 HydrophobicContact CB-CH2 4.17Å; L342-W346 HydrophobicContact CB-CZ2 3.4Å; L342-W346 VanDerWaalsContact CB-CZ2 3.4Å; L342-W346 HydrophobicContact CD1-CH2 4.05Å; L342-W346 HydrophobicContact CD1-CZ2 3.59Å; L342-W346 HydrophobicContact CG-CZ2 4.07Å; L342-W346 VanDerWaalsContact O-CD1 3.31Å; L342-W346 VanDerWaalsContact O-CG 3.29Å; L342-W346 PolarHBondContact O-N 3.05Å; L342-W346 VanDerWaalsContact O-N 3.14Å; L342-W346 PolarHBondContact O-NE1 3.38Å; L342-F367 HydrophobicContact CD1-CE2 3.79Å; L342-F367 HydrophobicContact CD1-CZ 4.14Å
343	E	88.2	Confident	79.3	Confident	41 Å²	41	48.1 Å²	48.1	19%	0.192	30%	0.298	C	S	.	.	H	α-helix	trans	-54.2	-43.3	178.7	-71.3	-64	155.3	0	0	113	E340 F345 W346 H347 R360	E340-E343 WeakPolarHBondContact O-CB 3.26Å; E340-E343 PolarHBondContact O-N 3.35Å; E343-F345 VanDerWaalsContact C-N 3.26Å; E343-F345 PolarHBondContact O-N 3.44Å; E343-W346 WeakPolarHBondContact O-CB 3.4Å; E343-W346 PolarHBondContact O-N 3.36Å; E343-W346 VanDerWaalsContact O-N 3.16Å; E343-H347 PolarHBondContact O-CD2 3.2Å; E343-H347 PolarHBondContact O-N 3.5Å; E343-R360 IonicContact OE1-CZ 2.8Å; E343-R360 IonicContact OE1-NE 3.92Å; E343-R360 PolarHBondContact OE1-NE 3.15Å; E343-R360 IonicContact OE1-NH2 3.89Å; E343-R360 IonicContact OE2-CZ 3.54Å; E343-R360 VanDerWaalsContact OE2-CZ 3.31Å; E343-R360 IonicContact OE2-NE 2.77Å; E343-R360 PolarHBondContact OE2-NE 2.95Å; E343-R360 VanDerWaalsContact OE2-NE 3.1Å; E343-R360 IonicContact OE2-NH2 2.91Å; E343-R360 PolarHBondContact OE2-NH2 2.94Å
344	P	89.6	Confident	78.9	Confident	54 Å²	54	48.8 Å²	48.8	35%	0.351	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-32.3	175	-24.9	35.8	0	0	0	114	L309 L342 V348	L309-P344 HydrophobicContact CD1-CB 3.81Å; L309-P344 HydrophobicContact CD2-CB 3.46Å; L309-P344 VanDerWaalsContact CD2-CB 3.46Å; L309-P344 HydrophobicContact CD2-CG 4.42Å; L309-P344 HydrophobicContact CG-CB 4.27Å; L342-P344 VanDerWaalsContact C-CD 3.49Å; L342-P344 VanDerWaalsContact C-N 3.33Å; P344-V348 WeakPolarHBondContact O-CG2 3.39Å; P344-V348 PolarHBondContact O-N 3.31Å
345	F	90.4	Very high	78.7	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-69.9	-39.8	178.1	-65	-104.4	0	0	0	110.7	V296 L300 A308 L309 F312 L328 A341 L342 E343 V348 A349	V296-F345 HydrophobicContact CG1-CE1 3.88Å; L300-F345 HydrophobicContact CD2-CE2 4.14Å; L300-F345 HydrophobicContact CD2-CZ 3.81Å; L300-F345 HydrophobicContact CG-CZ 4.43Å; A308-F345 HydrophobicContact CB-CE1 4.12Å; A308-F345 HydrophobicContact CB-CZ 3.71Å; L309-F345 HydrophobicContact CB-CE1 4.32Å; L309-F345 HydrophobicContact CB-CE2 4.12Å; L309-F345 HydrophobicContact CB-CZ 3.85Å; L309-F345 HydrophobicContact CD1-CD1 4.19Å; L309-F345 HydrophobicContact CD1-CD2 4.02Å; L309-F345 HydrophobicContact CD1-CE1 4.34Å; L309-F345 HydrophobicContact CD1-CE2 4.19Å; L309-F345 HydrophobicContact CD1-CG 4.02Å; L309-F345 HydrophobicContact CD1-CZ 4.33Å; F312-F345 HydrophobicContact CB-CD1 3.85Å; F312-F345 HydrophobicContact CB-CE1 3.8Å; F312-F345 HydrophobicContact CD1-CB 4.32Å; F312-F345 AromaticContact CD1-CD1 3.76Å; F312-F345 HydrophobicContact CD1-CD1 3.76Å; F312-F345 HydrophobicContact CD1-CG 4.4Å; F312-F345 AromaticContact CD2-CD1 3.83Å; F312-F345 HydrophobicContact CD2-CD1 3.83Å; F312-F345 HydrophobicContact CD2-CE1 4.4Å; F312-F345 HydrophobicContact CE1-CB 4.11Å; F312-F345 HydrophobicContact CE1-CD1 4.26Å; F312-F345 VanDerWaalsContact CE1-O 3.22Å; F312-F345 WeakPolarHBondContact CE1-O 3.45Å; F312-F345 HydrophobicContact CE2-CD1 4.3Å; F312-F345 AromaticContact CG-CD1 3.52Å; F312-F345 HydrophobicContact CG-CD1 3.52Å; F312-F345 HydrophobicContact CG-CE1 4.01Å; F312-F345 HydrophobicContact CZ-CB 4.38Å; L328-F345 HydrophobicContact CD1-CB 4.38Å; L328-F345 HydrophobicContact CD1-CD1 4.02Å; L328-F345 HydrophobicContact CD1-CG 4.42Å; A341-F345 WeakPolarHBondContact O-CE2 3.46Å; L342-F345 HydrophobicContact CD2-CD2 4.13Å; L342-F345 HydrophobicContact CD2-CE2 4.4Å; L342-F345 HydrophobicContact CD2-CG 4.5Å; L342-F345 VanDerWaalsContact O-CB 3.32Å; L342-F345 WeakPolarHBondContact O-CB 3.22Å; L342-F345 PolarHBondContact O-N 3.11Å; E343-F345 VanDerWaalsContact C-N 3.26Å; E343-F345 PolarHBondContact O-N 3.44Å; F345-V348 PolarHBondContact O-N 3.14Å; F345-A349 VanDerWaalsContact O-CB 3.3Å; F345-A349 WeakPolarHBondContact O-CB 3.48Å; F345-A349 PolarHBondContact O-N 3.23Å
346	W	86.8	Confident	78.8	Confident	3 Å²	3	51.8 Å²	51.8	1%	0.011	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-41	176.7	-51.1	149.4	0	0	0	112.3	L325 L328 L342 E343 A349 S350 M351 L356 L359	L325-W346 HydrophobicContact CB-CZ3 4.18Å; L328-W346 HydrophobicContact CB-CH2 4.25Å; L328-W346 HydrophobicContact CD1-CH2 4.42Å; L328-W346 HydrophobicContact CD1-CZ3 4.08Å; L342-W346 HydrophobicContact CB-CD2 4.39Å; L342-W346 HydrophobicContact CB-CH2 4.17Å; L342-W346 HydrophobicContact CB-CZ2 3.4Å; L342-W346 VanDerWaalsContact CB-CZ2 3.4Å; L342-W346 HydrophobicContact CD1-CH2 4.05Å; L342-W346 HydrophobicContact CD1-CZ2 3.59Å; L342-W346 HydrophobicContact CG-CZ2 4.07Å; L342-W346 VanDerWaalsContact O-CD1 3.31Å; L342-W346 VanDerWaalsContact O-CG 3.29Å; L342-W346 PolarHBondContact O-N 3.05Å; L342-W346 VanDerWaalsContact O-N 3.14Å; L342-W346 PolarHBondContact O-NE1 3.38Å; E343-W346 WeakPolarHBondContact O-CB 3.4Å; E343-W346 PolarHBondContact O-N 3.36Å; E343-W346 VanDerWaalsContact O-N 3.16Å; W346-A349 PolarHBondContact O-N 3.12Å; W346-S350 PolarHBondContact O-N 3.3Å; W346-M351 HydrophobicContact CE3-SD 4.44Å; W346-L356 HydrophobicContact CB-CD1 3.46Å; W346-L356 VanDerWaalsContact CB-CD1 3.46Å; W346-L356 HydrophobicContact CG-CD1 3.74Å; W346-L359 HydrophobicContact CD2-CD2 4.06Å; W346-L359 HydrophobicContact CE3-CD2 3.46Å; W346-L359 VanDerWaalsContact CE3-CD2 3.46Å; W346-L359 HydrophobicContact CH2-CD2 3.58Å; W346-L359 HydrophobicContact CH2-CG 4.04Å; W346-L359 HydrophobicContact CZ2-CD2 4.13Å; W346-L359 HydrophobicContact CZ2-CG 4.32Å; W346-L359 HydrophobicContact CZ3-CD2 3.22Å; W346-L359 HydrophobicContact CZ3-CG 4.19Å
347	H	84.2	Confident	78.6	Confident	129 Å²	129	53.7 Å²	53.7	60%	0.597	29%	0.287	S	S	*	.	H	α-helix	trans	-62.4	-45.8	174.3	-75.4	-62.1	0	0	0	112.1	E343 A349 S350	E343-H347 PolarHBondContact O-CD2 3.2Å; E343-H347 PolarHBondContact O-N 3.5Å; H347-A349 VanDerWaalsContact C-N 3.34Å; H347-A349 PolarHBondContact O-N 3.05Å; H347-S350 PolarHBondContact O-N 3.31Å
348	V	84.6	Confident	78	Confident	30 Å²	30	53.3 Å²	53.3	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-39.4	177.2	170.6	0	0	0	0	111.2	L309 F312 K313 H316 P344 F345 S350	L309-V348 HydrophobicContact CD1-CG2 4.06Å; F312-V348 HydrophobicContact CD1-CB 4.04Å; F312-V348 HydrophobicContact CD1-CG1 3.75Å; F312-V348 HydrophobicContact CE1-CB 3.88Å; F312-V348 HydrophobicContact CE1-CG1 3.74Å; K313-V348 HydrophobicContact CD-CG2 4.5Å; K313-V348 HydrophobicContact CG-CG1 3.91Å; K313-V348 HydrophobicContact CG-CG2 3.81Å; H316-V348 HydrophobicContact CB-CG1 3.86Å; H316-V348 PolarHBondContact CD2-O 3.42Å; H316-V348 PolarHBondContact CE1-O 3.37Å; H316-V348 PolarHBondContact ND1-O 3.41Å; H316-V348 PolarHBondContact NE2-O 3.07Å; P344-V348 WeakPolarHBondContact O-CG2 3.39Å; P344-V348 PolarHBondContact O-N 3.31Å; F345-V348 PolarHBondContact O-N 3.14Å; V348-S350 PolarHBondContact O-N 3.33Å; V348-S350 PolarHBondContact O-OG 2.99Å
349	A	82	Confident	77.8	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.033	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.4	179.4	0	0	0	0	0	114.3	F312 H316 L325 F345 W346 H347 M351	F312-A349 HydrophobicContact CE1-CB 4.32Å; F312-A349 HydrophobicContact CZ-CB 4.1Å; H316-A349 PolarHBondContact CE1-O 3.14Å; L325-A349 HydrophobicContact CD1-CB 4.05Å; F345-A349 VanDerWaalsContact O-CB 3.3Å; F345-A349 WeakPolarHBondContact O-CB 3.48Å; F345-A349 PolarHBondContact O-N 3.23Å; W346-A349 PolarHBondContact O-N 3.12Å; H347-A349 VanDerWaalsContact C-N 3.34Å; H347-A349 PolarHBondContact O-N 3.05Å; A349-M351 HydrophobicContact CB-CG 3.81Å; A349-M351 HydrophobicContact CB-SD 4.45Å; A349-M351 PolarHBondContact O-N 2.99Å
350	S	75.2	Confident	77.5	Confident	95 Å²	95	48.9 Å²	48.9	66%	0.664	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.8	-179.6	-56.9	0	0	0	0	113.3	W346 H347 V348	W346-S350 PolarHBondContact O-N 3.3Å; H347-S350 PolarHBondContact O-N 3.31Å; V348-S350 PolarHBondContact O-N 3.33Å; V348-S350 PolarHBondContact O-OG 2.99Å
351	M	68.4	Low	76.8	Confident	32 Å²	32	46.4 Å²	46.4	16%	0.158	25%	0.252	C	S	.	.			trans	-66.9	144	-177.5	-64.7	-171.3	70	0	0	111.8	L325 W346 A349 E355 L356 L359	L325-M351 HydrophobicContact CD1-SD 4.02Å; W346-M351 HydrophobicContact CE3-SD 4.44Å; A349-M351 HydrophobicContact CB-CG 3.81Å; A349-M351 HydrophobicContact CB-SD 4.45Å; A349-M351 PolarHBondContact O-N 2.99Å; M351-E355 HydrophobicContact CE-CB 3.67Å; M351-L356 HydrophobicContact CB-CB 3.94Å; M351-L356 HydrophobicContact CB-CD1 4.47Å; M351-L359 HydrophobicContact CE-CB 4.18Å; M351-L359 HydrophobicContact CE-CD2 3.78Å; M351-L359 HydrophobicContact SD-CD2 3.4Å; M351-L359 WeakPolarHBondContact SD-CD2 3.41Å
352	D	67.6	Low	76	Confident	87 Å²	87	47.7 Å²	47.7	47%	0.465	25%	0.252	S	S	.	.			trans	-70.7	166.7	174	70.8	22.2	0	0	0	112.2	D354 E355 L356	D352-D354 VanDerWaalsContact C-N 3.32Å; D352-D354 PolarHBondContact O-N 3.34Å; D352-D354 PolarHBondContact OD1-N 3.47Å; D352-E355 WeakPolarHBondContact OD1-CA 3.44Å; D352-E355 WeakPolarHBondContact OD1-CB 3.48Å; D352-E355 VanDerWaalsContact OD1-CG 3.27Å; D352-E355 WeakPolarHBondContact OD1-CG 3.28Å; D352-E355 PolarHBondContact OD1-N 3.37Å; D352-L356 WeakPolarHBondContact O-CB 3.22Å; D352-L356 PolarHBondContact O-N 3.05Å
353	G	65.1	Low	75.2	Confident	49 Å²	49	47.8 Å²	47.8	51%	0.505	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-37.7	-175	0	0	0	0	0	114.2	Y357	G353-Y357 WeakPolarHBondContact O-CB 3.46Å; G353-Y357 PolarHBondContact O-N 3.05Å
354	D	64.6	Low	74.3	Confident	32 Å²	32	49.6 Å²	49.6	17%	0.171	26%	0.261	C	S	.	.	H	α-helix	trans	-77.9	-48.8	-175.2	-81.3	-12.5	0	0	0	111.8	D352 Y357 M358 S581	D352-D354 VanDerWaalsContact C-N 3.32Å; D352-D354 PolarHBondContact O-N 3.34Å; D352-D354 PolarHBondContact OD1-N 3.47Å; D354-Y357 PolarHBondContact O-N 3.35Å; D354-M358 VanDerWaalsContact O-CG 3.31Å; D354-M358 WeakPolarHBondContact O-CG 3.45Å; D354-M358 PolarHBondContact O-N 2.87Å; D354-S581 PolarHBondContact OD2-OG 2.89Å
355	E	66.3	Low	73	Confident	107 Å²	107	50 Å²	50	50%	0.5	26%	0.259	S	S	.	.	H	α-helix	trans	-65.9	-40.8	176.6	-65	-171.2	162.1	0	0	111.1	M351 D352 Y357 M358 L359	M351-E355 HydrophobicContact CE-CB 3.67Å; D352-E355 WeakPolarHBondContact OD1-CA 3.44Å; D352-E355 WeakPolarHBondContact OD1-CB 3.48Å; D352-E355 VanDerWaalsContact OD1-CG 3.27Å; D352-E355 WeakPolarHBondContact OD1-CG 3.28Å; D352-E355 PolarHBondContact OD1-N 3.37Å; E355-Y357 VanDerWaalsContact C-N 3.34Å; E355-Y357 PolarHBondContact O-N 3.43Å; E355-M358 PolarHBondContact O-N 3.38Å; E355-L359 WeakPolarHBondContact O-CB 3.18Å; E355-L359 PolarHBondContact O-N 3.23Å
356	L	74.1	Confident	71.8	Confident	20 Å²	20	52.1 Å²	52.1	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-41.9	175.3	-179.9	53.1	0	0	0	111.3	W346 M351 D352 L359 R360	W346-L356 HydrophobicContact CB-CD1 3.46Å; W346-L356 VanDerWaalsContact CB-CD1 3.46Å; W346-L356 HydrophobicContact CG-CD1 3.74Å; M351-L356 HydrophobicContact CB-CB 3.94Å; M351-L356 HydrophobicContact CB-CD1 4.47Å; D352-L356 WeakPolarHBondContact O-CB 3.22Å; D352-L356 PolarHBondContact O-N 3.05Å; L356-L359 PolarHBondContact O-N 2.92Å; L356-R360 HydrophobicContact CD1-CG 4Å; L356-R360 HydrophobicContact CG-CG 4.38Å; L356-R360 VanDerWaalsContact O-CB 3.26Å; L356-R360 WeakPolarHBondContact O-CB 3.35Å; L356-R360 WeakPolarHBondContact O-CG 3.45Å; L356-R360 PolarHBondContact O-N 3.28Å
357	Y	66.1	Low	70.7	Confident	108 Å²	108	52.9 Å²	52.9	42%	0.424	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-45.6	176.8	-179.4	-95.2	0	0	0	111.5	G353 D354 E355 L359 R360 N361 W578	G353-Y357 WeakPolarHBondContact O-CB 3.46Å; G353-Y357 PolarHBondContact O-N 3.05Å; D354-Y357 PolarHBondContact O-N 3.35Å; E355-Y357 VanDerWaalsContact C-N 3.34Å; E355-Y357 PolarHBondContact O-N 3.43Å; Y357-L359 PolarHBondContact O-N 2.85Å; Y357-R360 PolarHBondContact O-N 3.34Å; Y357-N361 WeakPolarHBondContact CD1-ND2 3.45Å; Y357-N361 WeakPolarHBondContact CE1-ND2 3.36Å; Y357-N361 WeakPolarHBondContact O-CB 3.49Å; Y357-N361 PolarHBondContact O-N 3.02Å; Y357-N361 PolarHBondContact OH-ND2 3.43Å; Y357-W578 HydrophobicContact CD1-CB 4.46Å; Y357-W578 AromaticContact CD1-CD1 3.45Å; Y357-W578 VanDerWaalsContact CD1-CD1 3.45Å; Y357-W578 HydrophobicContact CD1-CG 4.01Å; Y357-W578 AromaticContact CD1-NE1 4Å; Y357-W578 AromaticContact CE1-CD1 3.2Å; Y357-W578 HydrophobicContact CE1-CG 4.18Å; Y357-W578 AromaticContact CE1-NE1 3.46Å
358	M	66.1	Low	69.4	Low	26 Å²	26	55 Å²	55	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-43.7	175.6	-69.6	-64.2	-72.9	0	0	111.7	D354 E355 N361 K362 E540 L544 W578	D354-M358 VanDerWaalsContact O-CG 3.31Å; D354-M358 WeakPolarHBondContact O-CG 3.45Å; D354-M358 PolarHBondContact O-N 2.87Å; E355-M358 PolarHBondContact O-N 3.38Å; M358-N361 PolarHBondContact O-N 2.8Å; M358-K362 VanDerWaalsContact O-CB 3.28Å; M358-K362 WeakPolarHBondContact O-CB 3.34Å; M358-K362 PolarHBondContact O-N 3.44Å; M358-E540 HydrophobicContact CE-CB 4.46Å; M358-E540 HydrophobicContact CE-CG 3.79Å; M358-L544 HydrophobicContact CE-CD1 4.01Å; M358-L544 HydrophobicContact CE-CD2 4.17Å; M358-L544 HydrophobicContact CE-CG 4.07Å; M358-W578 HydrophobicContact CE-CE3 4.19Å; M358-W578 HydrophobicContact CE-CH2 3.91Å; M358-W578 HydrophobicContact CE-CZ2 4.37Å; M358-W578 HydrophobicContact CE-CZ3 3.8Å; M358-W578 HydrophobicContact CG-CD2 4.44Å; M358-W578 HydrophobicContact CG-CE3 4.34Å; M358-W578 HydrophobicContact SD-CD2 3.5Å; M358-W578 HydrophobicContact SD-CE3 3.51Å; M358-W578 VanDerWaalsContact SD-CE3 3.51Å; M358-W578 HydrophobicContact SD-CG 4.21Å; M358-W578 HydrophobicContact SD-CH2 3.84Å; M358-W578 HydrophobicContact SD-CZ2 3.81Å; M358-W578 HydrophobicContact SD-CZ3 3.68Å
359	L	74.7	Confident	68	Low	17 Å²	17	58.8 Å²	58.8	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-42.1	179.8	-158.8	69.8	0	0	0	112.2	L325 S326 W346 M351 E355 L356 Y357 K362 S363	L325-L359 HydrophobicContact CB-CD2 3.99Å; S326-L359 VanDerWaalsContact CA-CD1 3.45Å; W346-L359 HydrophobicContact CD2-CD2 4.06Å; W346-L359 HydrophobicContact CE3-CD2 3.46Å; W346-L359 VanDerWaalsContact CE3-CD2 3.46Å; W346-L359 HydrophobicContact CH2-CD2 3.58Å; W346-L359 HydrophobicContact CH2-CG 4.04Å; W346-L359 HydrophobicContact CZ2-CD2 4.13Å; W346-L359 HydrophobicContact CZ2-CG 4.32Å; W346-L359 HydrophobicContact CZ3-CD2 3.22Å; W346-L359 HydrophobicContact CZ3-CG 4.19Å; M351-L359 HydrophobicContact CE-CB 4.18Å; M351-L359 HydrophobicContact CE-CD2 3.78Å; M351-L359 HydrophobicContact SD-CD2 3.4Å; M351-L359 WeakPolarHBondContact SD-CD2 3.41Å; E355-L359 WeakPolarHBondContact O-CB 3.18Å; E355-L359 PolarHBondContact O-N 3.23Å; L356-L359 PolarHBondContact O-N 2.92Å; Y357-L359 PolarHBondContact O-N 2.85Å; L359-K362 PolarHBondContact O-N 3.16Å; L359-S363 WeakPolarHBondContact O-CB 3.37Å; L359-S363 PolarHBondContact O-N 3.38Å; L359-S363 PolarHBondContact O-OG 3.18Å
360	R	75.7	Confident	66.5	Low	72 Å²	72	60.8 Å²	60.8	27%	0.272	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-46.5	173.5	-82.4	177.9	171.2	152.3	2.1	110.9	E343 L356 Y357 S363 K364	E343-R360 IonicContact OE1-CZ 2.8Å; E343-R360 IonicContact OE1-NE 3.92Å; E343-R360 PolarHBondContact OE1-NE 3.15Å; E343-R360 IonicContact OE1-NH2 3.89Å; E343-R360 IonicContact OE2-CZ 3.54Å; E343-R360 VanDerWaalsContact OE2-CZ 3.31Å; E343-R360 IonicContact OE2-NE 2.77Å; E343-R360 PolarHBondContact OE2-NE 2.95Å; E343-R360 VanDerWaalsContact OE2-NE 3.1Å; E343-R360 IonicContact OE2-NH2 2.91Å; E343-R360 PolarHBondContact OE2-NH2 2.94Å; L356-R360 HydrophobicContact CD1-CG 4Å; L356-R360 HydrophobicContact CG-CG 4.38Å; L356-R360 VanDerWaalsContact O-CB 3.26Å; L356-R360 WeakPolarHBondContact O-CB 3.35Å; L356-R360 WeakPolarHBondContact O-CG 3.45Å; L356-R360 PolarHBondContact O-N 3.28Å; Y357-R360 PolarHBondContact O-N 3.34Å; R360-S363 WeakPolarHBondContact CA-OG 3.34Å; R360-S363 PolarHBondContact O-N 2.91Å; R360-S363 PolarHBondContact O-OG 3.4Å; R360-K364 WeakPolarHBondContact O-CB 3.33Å; R360-K364 WeakPolarHBondContact O-CG 3.35Å; R360-K364 PolarHBondContact O-N 3.45Å
361	N	67.4	Low	64.9	Low	43 Å²	43	58.4 Å²	58.4	23%	0.23	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-43.6	177.4	-77	-17.3	0	0	0	112.2	Y357 M358 S363 K364 L365	Y357-N361 WeakPolarHBondContact CD1-ND2 3.45Å; Y357-N361 WeakPolarHBondContact CE1-ND2 3.36Å; Y357-N361 WeakPolarHBondContact O-CB 3.49Å; Y357-N361 PolarHBondContact O-N 3.02Å; Y357-N361 PolarHBondContact OH-ND2 3.43Å; M358-N361 PolarHBondContact O-N 2.8Å; N361-S363 VanDerWaalsContact C-N 3.35Å; N361-S363 PolarHBondContact O-N 3.26Å; N361-K364 PolarHBondContact O-N 3.14Å; N361-L365 VanDerWaalsContact O-CB 3.3Å; N361-L365 WeakPolarHBondContact O-CB 3.28Å; N361-L365 VanDerWaalsContact O-CG 3.24Å; N361-L365 WeakPolarHBondContact O-CG 3.43Å; N361-L365 PolarHBondContact O-N 3.4Å
362	K	68.8	Low	63.7	Low	51 Å²	51	66.4 Å²	66.4	22%	0.222	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-45.9	175	-173.5	172.8	-179.5	-179.9	0	111.1	S326 M358 L359 L365 Y366	S326-K362 PolarHBondContact OG-NZ 2.98Å; M358-K362 VanDerWaalsContact O-CB 3.28Å; M358-K362 WeakPolarHBondContact O-CB 3.34Å; M358-K362 PolarHBondContact O-N 3.44Å; L359-K362 PolarHBondContact O-N 3.16Å; K362-L365 PolarHBondContact O-N 3.04Å; K362-Y366 HydrophobicContact CD-CE2 4.3Å; K362-Y366 HydrophobicContact CG-CD2 3.85Å; K362-Y366 HydrophobicContact CG-CE2 3.64Å; K362-Y366 WeakPolarHBondContact O-CD2 3.48Å; K362-Y366 PolarHBondContact O-N 2.66Å
363	S	73.2	Confident	62.2	Low	3 Å²	3	66.8 Å²	66.8	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-51.1	176.5	72.7	0	0	0	0	111.3	L359 R360 N361 L365 Y366 F367	L359-S363 WeakPolarHBondContact O-CB 3.37Å; L359-S363 PolarHBondContact O-N 3.38Å; L359-S363 PolarHBondContact O-OG 3.18Å; R360-S363 WeakPolarHBondContact CA-OG 3.34Å; R360-S363 PolarHBondContact O-N 2.91Å; R360-S363 PolarHBondContact O-OG 3.4Å; N361-S363 VanDerWaalsContact C-N 3.35Å; N361-S363 PolarHBondContact O-N 3.26Å; S363-L365 VanDerWaalsContact C-N 3.28Å; S363-L365 PolarHBondContact O-N 2.68Å; S363-Y366 CarbonylContact O-C 3.28Å; S363-Y366 WeakPolarHBondContact O-CA 3.37Å; S363-Y366 WeakPolarHBondContact O-CB 3.49Å; S363-Y366 PolarHBondContact O-N 2.92Å; S363-F367 WeakPolarHBondContact O-CD2 3.22Å; S363-F367 PolarHBondContact O-N 3.42Å
364	K	69.8	Low	60.7	Low	78 Å²	78	68.8 Å²	68.8	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-55.1	-42.3	175.1	-75.7	178.4	-177.9	-174.2	0	112.2	H339 R360 N361 R368	H339-K364 VanDerWaalsContact CD2-CG 3.41Å; H339-K364 WeakPolarHBondContact CD2-CG 3.06Å; H339-K364 VanDerWaalsContact NE2-CE 3.27Å; H339-K364 WeakPolarHBondContact NE2-CE 3.29Å; R360-K364 WeakPolarHBondContact O-CB 3.33Å; R360-K364 WeakPolarHBondContact O-CG 3.35Å; R360-K364 PolarHBondContact O-N 3.45Å; N361-K364 PolarHBondContact O-N 3.14Å; K364-R368 VanDerWaalsContact O-CB 3.26Å; K364-R368 WeakPolarHBondContact O-CB 3.43Å; K364-R368 VanDerWaalsContact O-CG 3.22Å; K364-R368 WeakPolarHBondContact O-CG 3.42Å; K364-R368 PolarHBondContact O-N 2.78Å
365	L	62.8	Low	59.7	Low	62 Å²	62	71.3 Å²	71.3	33%	0.325	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-40.8	174.9	-76.2	167.6	0	0	0	111.6	N361 K362 S363 R368 R369	N361-L365 VanDerWaalsContact O-CB 3.3Å; N361-L365 WeakPolarHBondContact O-CB 3.28Å; N361-L365 VanDerWaalsContact O-CG 3.24Å; N361-L365 WeakPolarHBondContact O-CG 3.43Å; N361-L365 PolarHBondContact O-N 3.4Å; K362-L365 PolarHBondContact O-N 3.04Å; S363-L365 VanDerWaalsContact C-N 3.28Å; S363-L365 PolarHBondContact O-N 2.68Å; L365-R368 PolarHBondContact O-N 2.92Å; L365-R369 WeakPolarHBondContact O-CB 3.45Å; L365-R369 WeakPolarHBondContact O-CD 3.32Å; L365-R369 WeakPolarHBondContact O-CG 3.44Å; L365-R369 PolarHBondContact O-N 3.49Å
366	Y	64.8	Low	59.4	Low	46 Å²	46	71.7 Å²	71.7	18%	0.18	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-53.1	173.7	-86.7	-69.6	0	0	0	111.7	A329 L330 K362 S363 R368 R369 T370	A329-Y366 HydrophobicContact CB-CD2 4.49Å; L330-Y366 HydrophobicContact CD1-CE1 4.38Å; K362-Y366 HydrophobicContact CD-CE2 4.3Å; K362-Y366 HydrophobicContact CG-CD2 3.85Å; K362-Y366 HydrophobicContact CG-CE2 3.64Å; K362-Y366 WeakPolarHBondContact O-CD2 3.48Å; K362-Y366 PolarHBondContact O-N 2.66Å; S363-Y366 CarbonylContact O-C 3.28Å; S363-Y366 WeakPolarHBondContact O-CA 3.37Å; S363-Y366 WeakPolarHBondContact O-CB 3.49Å; S363-Y366 PolarHBondContact O-N 2.92Å; Y366-R368 PolarHBondContact O-N 3.33Å; Y366-R369 CarbonylContact O-C 3.49Å; Y366-R369 WeakPolarHBondContact O-CA 3.41Å; Y366-R369 WeakPolarHBondContact O-CB 3.34Å; Y366-R369 PolarHBondContact O-N 3.39Å; Y366-T370 PolarHBondContact O-N 3.37Å; Y366-T370 PolarHBondContact O-OG1 3.32Å
367	F	62.8	Low	59.2	Low	20 Å²	20	70.8 Å²	70.8	9%	0.088	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-29.7	177.7	-76.5	-81.3	0	0	0	112.8	A329 A332 A333 L337 H339 L342 S363 R369 T370 G371	A329-F367 HydrophobicContact CB-CD2 4.45Å; A329-F367 HydrophobicContact CB-CE2 3.92Å; A332-F367 HydrophobicContact CB-CE1 4.33Å; A332-F367 HydrophobicContact CB-CZ 3.65Å; A333-F367 HydrophobicContact CB-CD1 4.02Å; A333-F367 HydrophobicContact CB-CE1 3.81Å; A333-F367 HydrophobicContact CB-CZ 4.44Å; L337-F367 WeakPolarHBondContact O-CE1 3.36Å; H339-F367 VanDerWaalsContact CA-CE2 3.41Å; H339-F367 HydrophobicContact CB-CB 4.18Å; H339-F367 HydrophobicContact CB-CD2 3.32Å; H339-F367 HydrophobicContact CB-CE2 3.74Å; H339-F367 HydrophobicContact CB-CG 3.8Å; H339-F367 HydrophobicContact CB-CZ 4.49Å; L342-F367 HydrophobicContact CD1-CE2 3.79Å; L342-F367 HydrophobicContact CD1-CZ 4.14Å; S363-F367 WeakPolarHBondContact O-CD2 3.22Å; S363-F367 PolarHBondContact O-N 3.42Å; F367-R369 VanDerWaalsContact C-N 3.34Å; F367-T370 WeakPolarHBondContact CA-OG1 3.41Å; F367-G371 WeakPolarHBondContact O-CA 3.24Å; F367-G371 PolarHBondContact O-N 2.89Å
368	R	58.1	Low	59.4	Low	173 Å²	173	66.8 Å²	66.8	65%	0.653	33%	0.334	S	S	*	.	H	α-helix	trans	-73	-25.7	171.1	-78.5	177.8	-179.3	-175.8	-0.7	113.5	K364 L365 Y366	K364-R368 VanDerWaalsContact O-CB 3.26Å; K364-R368 WeakPolarHBondContact O-CB 3.43Å; K364-R368 VanDerWaalsContact O-CG 3.22Å; K364-R368 WeakPolarHBondContact O-CG 3.42Å; K364-R368 PolarHBondContact O-N 2.78Å; L365-R368 PolarHBondContact O-N 2.92Å; Y366-R368 PolarHBondContact O-N 3.33Å
369	R	55.3	Low	59.6	Low	110 Å²	110	70 Å²	70	42%	0.415	35%	0.352	S	S	.	.	H	α-helix	trans	-83.1	-34.1	176.1	-73.1	169.2	-177.1	-158.2	-3.9	112	L365 Y366 F367 N486	L365-R369 WeakPolarHBondContact O-CB 3.45Å; L365-R369 WeakPolarHBondContact O-CD 3.32Å; L365-R369 WeakPolarHBondContact O-CG 3.44Å; L365-R369 PolarHBondContact O-N 3.49Å; Y366-R369 CarbonylContact O-C 3.49Å; Y366-R369 WeakPolarHBondContact O-CA 3.41Å; Y366-R369 WeakPolarHBondContact O-CB 3.34Å; Y366-R369 PolarHBondContact O-N 3.39Å; F367-R369 VanDerWaalsContact C-N 3.34Å; R369-N486 PolarHBondContact NH1-OD1 3.3Å; R369-N486 PolarHBondContact NH2-OD1 2.85Å
370	T	49.3	Very low	59.8	Low	46 Å²	46	74.1 Å²	74.1	28%	0.282	37%	0.366	S	S	.	.	H	α-helix	trans	-95.5	-32.9	-178.8	55.7	0	0	0	0	112.8	L23 A333 Y366 F367 K372	L23-T370 HydrophobicContact CB-CG2 4.39Å; A333-T370 HydrophobicContact CB-CG2 4.29Å; A333-T370 WeakPolarHBondContact CB-OG1 3.49Å; Y366-T370 PolarHBondContact O-N 3.37Å; Y366-T370 PolarHBondContact O-OG1 3.32Å; F367-T370 WeakPolarHBondContact CA-OG1 3.41Å; T370-K372 PolarHBondContact O-N 3.4Å; T370-K372 VanDerWaalsContact O-N 3.11Å
371	G	42.4	Very low	60.1	Low	44 Å²	44	70.7 Å²	70.7	45%	0.454	35%	0.353	S	S	.	.	S	Bend	trans	-74.7	98.4	178.4	0	0	0	0	0	110.2	F367 L373	F367-G371 WeakPolarHBondContact O-CA 3.24Å; F367-G371 PolarHBondContact O-N 2.89Å; G371-L373 PolarHBondContact O-N 2.93Å
372	K	41.8	Very low	60.5	Low	200 Å²	200	71.4 Å²	71.4	87%	0.87	36%	0.355	S	S	*	.			trans	47	61.7	170.7	-69.4	179	176.3	174.3	0	113.8	T370 S374	T370-K372 PolarHBondContact O-N 3.4Å; T370-K372 VanDerWaalsContact O-N 3.11Å; K372-S374 PolarHBondContact O-N 3.14Å
373	L	36	Very low	61	Low	96 Å²	96	70.8 Å²	70.8	50%	0.503	36%	0.36	S	S	.	.				-77.7	70.7	129	-91.8	136.3	0	0	0	106.5	G371 N375 N404	G371-L373 PolarHBondContact O-N 2.93Å; L373-N375 PolarHBondContact O-N 3.31Å; L373-N404 HydrophobicContact CD2-CB 4.26Å
374	S	33.5	Very low	61.6	Low	90 Å²	90	71.4 Å²	71.4	63%	0.629	36%	0.364	S	S	*	.			trans	-54.3	101.7	142.2	175.5	0	0	0	0	103.8	K372	K372-S374 PolarHBondContact O-N 3.14Å
375	N	44.1	Very low	62.1	Low	86 Å²	86	69.2 Å²	69.2	46%	0.46	36%	0.356	S	S	.	.				178.8	130.5	119.6	-76.2	-10.7	0	0	0	105.9	L373 L377	L373-N375 PolarHBondContact O-N 3.31Å; N375-L377 HydrophobicContact CB-CD1 4Å; N375-L377 HydrophobicContact CB-CG 4.35Å; N375-L377 PolarHBondContact O-N 3.48Å
376	N	59.9	Low	63	Low	115 Å²	115	72 Å²	72	62%	0.615	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.6	5.4	166.3	-100.7	-7.2	0	0	0	115.7	G378 D379 R380	N376-G378 PolarHBondContact O-N 3.39Å; N376-D379 PolarHBondContact O-N 2.91Å; N376-R380 HydrophobicContact CB-CG 4.01Å; N376-R380 WeakPolarHBondContact O-CA 2.92Å; N376-R380 WeakPolarHBondContact O-CB 3.4Å; N376-R380 WeakPolarHBondContact O-CD 3.45Å; N376-R380 WeakPolarHBondContact O-CG 3.44Å; N376-R380 PolarHBondContact O-N 3.25Å
377	L	70.6	Confident	64	Low	1 Å²	1	76.6 Å²	76.6	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-60.2	-43.8	-173.7	-92.7	158.7	0	0	0	113.9	N375 L381 L396 D399 N404 F412	N375-L377 HydrophobicContact CB-CD1 4Å; N375-L377 HydrophobicContact CB-CG 4.35Å; N375-L377 PolarHBondContact O-N 3.48Å; L377-L381 WeakPolarHBondContact O-CB 3.4Å; L377-L381 PolarHBondContact O-N 3.17Å; L377-L396 HydrophobicContact CD2-CB 3.97Å; L377-L396 HydrophobicContact CD2-CD2 3.93Å; L377-L396 HydrophobicContact CD2-CG 4.41Å; L377-D399 HydrophobicContact CD1-CB 3.86Å; L377-D399 HydrophobicContact CD2-CB 3.63Å; L377-D399 HydrophobicContact CG-CB 4.16Å; L377-N404 WeakPolarHBondContact CD1-ND2 3.48Å; L377-F412 HydrophobicContact CD2-CZ 4.22Å
378	G	70.2	Confident	64.9	Low	23 Å²	23	82.1 Å²	82.1	24%	0.237	42%	0.424	C	S	.	.	H	α-helix	trans	-65.7	-42	178.3	0	0	0	0	0	112.3	N376 Q382	N376-G378 PolarHBondContact O-N 3.39Å; G378-Q382 WeakPolarHBondContact O-CB 3.43Å; G378-Q382 PolarHBondContact O-N 3.28Å
379	D	69.4	Low	66.2	Low	94 Å²	94	77.1 Å²	77.1	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-73.1	-39.8	178	-62.5	-30.7	0	0	0	111.7	N376 Q382 A383	N376-D379 PolarHBondContact O-N 2.91Å; D379-Q382 PolarHBondContact O-N 3.02Å; D379-A383 WeakPolarHBondContact O-CB 3.15Å; D379-A383 PolarHBondContact O-N 2.94Å
380	R	79.6	Confident	67.5	Low	104 Å²	104	74.5 Å²	74.5	39%	0.392	41%	0.407	S	S	.	.	H	α-helix	trans	-61.1	-44.4	171.6	-76.9	164	71.9	-158.2	1	110.7	N376 Q382 A383 C384 L396 D399	N376-R380 HydrophobicContact CB-CG 4.01Å; N376-R380 WeakPolarHBondContact O-CA 2.92Å; N376-R380 WeakPolarHBondContact O-CB 3.4Å; N376-R380 WeakPolarHBondContact O-CD 3.45Å; N376-R380 WeakPolarHBondContact O-CG 3.44Å; N376-R380 PolarHBondContact O-N 3.25Å; R380-Q382 VanDerWaalsContact C-N 3.35Å; R380-A383 PolarHBondContact O-N 3.34Å; R380-C384 PolarHBondContact O-N 2.97Å; R380-C384 PolarHBondContact O-SG 2.88Å; R380-L396 HydrophobicContact CB-CD1 3.9Å; R380-L396 HydrophobicContact CB-CD2 4.14Å; R380-D399 IonicContact CZ-OD2 3.64Å; R380-D399 VanDerWaalsContact CZ-OD2 3.32Å; R380-D399 IonicContact NH1-OD2 2.79Å; R380-D399 PolarHBondContact NH1-OD2 3.34Å; R380-D399 IonicContact NH2-OD2 2.73Å; R380-D399 PolarHBondContact NH2-OD2 2.87Å
381	L	81.4	Confident	69.1	Low	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-43.3	176.2	178.8	65.3	0	0	0	110.6	L377 C384 I385 A393 L396 L411 F412 L416	L377-L381 WeakPolarHBondContact O-CB 3.4Å; L377-L381 PolarHBondContact O-N 3.17Å; L381-C384 PolarHBondContact O-N 3.18Å; L381-I385 HydrophobicContact CD1-CD1 4.14Å; L381-I385 HydrophobicContact CG-CD1 3.93Å; L381-I385 VanDerWaalsContact O-CD1 3.32Å; L381-I385 WeakPolarHBondContact O-CD1 3.35Å; L381-I385 WeakPolarHBondContact O-CG1 3.4Å; L381-I385 PolarHBondContact O-N 2.97Å; L381-A393 HydrophobicContact CD1-CB 3.77Å; L381-L396 VanDerWaalsContact CA-CD1 3.49Å; L381-L396 HydrophobicContact CB-CD1 3.89Å; L381-L396 HydrophobicContact CD1-CD1 4.31Å; L381-L411 HydrophobicContact CD2-CD2 3.76Å; L381-L411 HydrophobicContact CD2-CG 3.75Å; L381-F412 HydrophobicContact CD1-CD1 4.08Å; L381-F412 HydrophobicContact CD1-CE1 3.98Å; L381-F412 HydrophobicContact CD2-CD1 4Å; L381-F412 HydrophobicContact CD2-CD2 3.94Å; L381-F412 HydrophobicContact CD2-CE1 4.15Å; L381-F412 HydrophobicContact CD2-CE2 4.08Å; L381-F412 HydrophobicContact CD2-CG 3.91Å; L381-F412 HydrophobicContact CD2-CZ 4.19Å; L381-L416 HydrophobicContact CD1-CD2 4.44Å
382	Q	75.7	Confident	71.1	Confident	57 Å²	57	75.5 Å²	75.5	27%	0.266	40%	0.401	S	S	.	.	H	α-helix	trans	-61.7	-44.5	174.7	-173.5	63.4	62	0	0	111.4	G378 D379 R380 I385 D386	G378-Q382 WeakPolarHBondContact O-CB 3.43Å; G378-Q382 PolarHBondContact O-N 3.28Å; D379-Q382 PolarHBondContact O-N 3.02Å; R380-Q382 VanDerWaalsContact C-N 3.35Å; Q382-I385 PolarHBondContact O-N 3.15Å; Q382-I385 VanDerWaalsContact O-N 3.14Å; Q382-D386 PolarHBondContact NE2-OD1 2.88Å; Q382-D386 WeakPolarHBondContact O-CB 3.4Å; Q382-D386 PolarHBondContact O-N 2.77Å
383	A	80.7	Confident	73.2	Confident	39 Å²	39	66 Å²	66	32%	0.322	36%	0.36	S	S	.	.	H	α-helix	trans	-59.8	-46.5	176.4	0	0	0	0	0	111.5	D379 R380 I385 D386 E387	D379-A383 WeakPolarHBondContact O-CB 3.15Å; D379-A383 PolarHBondContact O-N 2.94Å; R380-A383 PolarHBondContact O-N 3.34Å; A383-I385 VanDerWaalsContact C-N 3.26Å; A383-I385 PolarHBondContact O-N 3.1Å; A383-D386 PolarHBondContact O-N 3.49Å; A383-E387 VanDerWaalsContact O-CB 3.31Å; A383-E387 WeakPolarHBondContact O-CB 3.24Å; A383-E387 VanDerWaalsContact O-CG 3.26Å; A383-E387 WeakPolarHBondContact O-CG 3.39Å; A383-E387 PolarHBondContact O-N 2.9Å
384	C	84.2	Confident	75.5	Confident	16 Å²	16	61.9 Å²	61.9	11%	0.108	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-36	175.4	-66.4	0	0	0	0	112.3	R380 L381 N388 N389 A393	R380-C384 PolarHBondContact O-N 2.97Å; R380-C384 PolarHBondContact O-SG 2.88Å; L381-C384 PolarHBondContact O-N 3.18Å; C384-N388 CarbonylContact O-C 3.58Å; C384-N388 PolarHBondContact O-N 2.69Å; C384-N389 HydrophobicContact CB-CB 4.35Å; C384-N389 WeakPolarHBondContact O-CA 3.27Å; C384-N389 PolarHBondContact O-N 3.1Å; C384-A393 HydrophobicContact CB-CB 3.79Å
385	I	81.8	Confident	78	Confident	32 Å²	32	60.5 Å²	60.5	16%	0.164	32%	0.324	C	S	.	.	H	α-helix	trans	-71.8	-43.4	176.8	-67.8	161	0	0	0	111.1	L381 Q382 A383 E387 N388 R415	L381-I385 HydrophobicContact CD1-CD1 4.14Å; L381-I385 HydrophobicContact CG-CD1 3.93Å; L381-I385 VanDerWaalsContact O-CD1 3.32Å; L381-I385 WeakPolarHBondContact O-CD1 3.35Å; L381-I385 WeakPolarHBondContact O-CG1 3.4Å; L381-I385 PolarHBondContact O-N 2.97Å; Q382-I385 PolarHBondContact O-N 3.15Å; Q382-I385 VanDerWaalsContact O-N 3.14Å; A383-I385 VanDerWaalsContact C-N 3.26Å; A383-I385 PolarHBondContact O-N 3.1Å; I385-E387 PolarHBondContact O-N 3.16Å; I385-N388 PolarHBondContact O-N 3.14Å; I385-R415 HydrophobicContact CD1-CB 3.54Å; I385-R415 VanDerWaalsContact CD1-CD 3.49Å; I385-R415 HydrophobicContact CD1-CG 4.07Å
386	D	81.8	Confident	80	Confident	120 Å²	120	56.7 Å²	56.7	64%	0.642	30%	0.304	S	S	*	.	H	α-helix	trans	-63.9	-32.9	178.3	-66.7	-17.7	0	0	0	111.1	Q382 A383 N388	Q382-D386 PolarHBondContact NE2-OD1 2.88Å; Q382-D386 WeakPolarHBondContact O-CB 3.4Å; Q382-D386 PolarHBondContact O-N 2.77Å; A383-D386 PolarHBondContact O-N 3.49Å; D386-N388 VanDerWaalsContact C-N 3.32Å
387	E	84.7	Confident	81.2	Confident	142 Å²	142	51.3 Å²	51.3	66%	0.664	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	0.5	174.2	-68.3	172.8	-177	0	0	113.7	A383 I385 N389	A383-E387 VanDerWaalsContact O-CB 3.31Å; A383-E387 WeakPolarHBondContact O-CB 3.24Å; A383-E387 VanDerWaalsContact O-CG 3.26Å; A383-E387 WeakPolarHBondContact O-CG 3.39Å; A383-E387 PolarHBondContact O-N 2.9Å; I385-E387 PolarHBondContact O-N 3.16Å; E387-N389 HydrophobicContact CB-CB 4.29Å; E387-N389 PolarHBondContact O-N 3.06Å; E387-N389 VanDerWaalsContact O-N 3.11Å
388	N	81.3	Confident	81.9	Confident	136 Å²	136	57.5 Å²	57.5	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	23.7	-170.9	-89.7	-17.5	0	0	0	114.2	C384 I385 D386 V390	C384-N388 CarbonylContact O-C 3.58Å; C384-N388 PolarHBondContact O-N 2.69Å; I385-N388 PolarHBondContact O-N 3.14Å; D386-N388 VanDerWaalsContact C-N 3.32Å; N388-V390 PolarHBondContact O-N 3.4Å; N388-V390 VanDerWaalsContact O-N 3.08Å
389	N	86	Confident	82.5	Confident	68 Å²	68	59.2 Å²	59.2	36%	0.364	31%	0.305	S	S	.	.			trans	-83.7	76.6	177.9	-174.3	0.6	0	0	0	111.2	C384 E387 Q391 G392 A393	C384-N389 HydrophobicContact CB-CB 4.35Å; C384-N389 WeakPolarHBondContact O-CA 3.27Å; C384-N389 PolarHBondContact O-N 3.1Å; E387-N389 HydrophobicContact CB-CB 4.29Å; E387-N389 PolarHBondContact O-N 3.06Å; E387-N389 VanDerWaalsContact O-N 3.11Å; N389-Q391 VanDerWaalsContact C-N 3.33Å; N389-Q391 PolarHBondContact O-N 3.07Å; N389-G392 PolarHBondContact O-N 2.84Å; N389-G392 PolarHBondContact OD1-N 3.26Å; N389-A393 PolarHBondContact O-N 3.06Å
390	V	82.5	Confident	83.1	Confident	56 Å²	56	55.3 Å²	55.3	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-41.1	-179	178.8	0	0	0	0	112.1	N388 A393 L394 V421	N388-V390 PolarHBondContact O-N 3.4Å; N388-V390 VanDerWaalsContact O-N 3.08Å; V390-A393 WeakPolarHBondContact O-CB 3.48Å; V390-A393 PolarHBondContact O-N 3.25Å; V390-L394 HydrophobicContact CG1-CD1 4.37Å; V390-L394 WeakPolarHBondContact O-CG 3.4Å; V390-L394 PolarHBondContact O-N 2.94Å; V390-V421 HydrophobicContact CG1-CG2 3.41Å; V390-V421 VanDerWaalsContact CG1-CG2 3.41Å
391	Q	84.2	Confident	83.2	Confident	93 Å²	93	53.4 Å²	53.4	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-67.9	-43.5	-179.2	-174.4	57.3	38.6	0	0	111.7	N389 A393 L394 D395	N389-Q391 VanDerWaalsContact C-N 3.33Å; N389-Q391 PolarHBondContact O-N 3.07Å; Q391-A393 PolarHBondContact O-N 3.16Å; Q391-L394 WeakPolarHBondContact O-CB 3.14Å; Q391-L394 PolarHBondContact O-N 3.32Å; Q391-L394 VanDerWaalsContact O-N 3.09Å; Q391-D395 PolarHBondContact O-N 2.91Å
392	G	84.3	Confident	82.7	Confident	17 Å²	17	61.6 Å²	61.6	18%	0.175	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-38.6	173.7	0	0	0	0	0	111.7	N389 D395 L396	N389-G392 PolarHBondContact O-N 2.84Å; N389-G392 PolarHBondContact OD1-N 3.26Å; G392-D395 PolarHBondContact O-N 3.11Å; G392-L396 WeakPolarHBondContact O-CG 3.2Å; G392-L396 PolarHBondContact O-N 3.35Å
393	A	84.4	Confident	82.2	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-67.1	-34.2	175.5	0	0	0	0	0	113.2	L381 C384 N389 V390 Q391 L416	L381-A393 HydrophobicContact CD1-CB 3.77Å; C384-A393 HydrophobicContact CB-CB 3.79Å; N389-A393 PolarHBondContact O-N 3.06Å; V390-A393 WeakPolarHBondContact O-CB 3.48Å; V390-A393 PolarHBondContact O-N 3.25Å; Q391-A393 PolarHBondContact O-N 3.16Å; A393-L416 HydrophobicContact CB-CD2 3.52Å
394	L	85.7	Confident	81.8	Confident	9 Å²	9	63.3 Å²	63.3	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-69.9	-40.1	172.2	-73.5	172.2	0	0	0	112.2	V390 Q391 L396 L397 L416 V421 L426 Q429	V390-L394 HydrophobicContact CG1-CD1 4.37Å; V390-L394 WeakPolarHBondContact O-CG 3.4Å; V390-L394 PolarHBondContact O-N 2.94Å; Q391-L394 WeakPolarHBondContact O-CB 3.14Å; Q391-L394 PolarHBondContact O-N 3.32Å; Q391-L394 VanDerWaalsContact O-N 3.09Å; L394-L396 PolarHBondContact O-N 3.2Å; L394-L397 HydrophobicContact CD2-CD1 3.97Å; L394-L397 WeakPolarHBondContact O-CB 3.45Å; L394-L397 WeakPolarHBondContact O-CG 3.34Å; L394-L397 PolarHBondContact O-N 3.45Å; L394-L416 HydrophobicContact CD2-CD1 4.26Å; L394-V421 HydrophobicContact CD2-CG1 4.23Å; L394-L426 HydrophobicContact CD2-CD2 3.68Å; L394-Q429 HydrophobicContact CB-CG 4.25Å; L394-Q429 HydrophobicContact CD1-CG 4.26Å; L394-Q429 HydrophobicContact CD2-CG 4.25Å; L394-Q429 HydrophobicContact CG-CG 4.5Å
395	D	86	Confident	81.7	Confident	61 Å²	61	62.7 Å²	62.7	33%	0.326	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-29.4	177.9	-77.1	-43.3	0	0	0	112.3	Q391 G392 L397 K398	Q391-D395 PolarHBondContact O-N 2.91Å; G392-D395 PolarHBondContact O-N 3.11Å; D395-L397 PolarHBondContact O-N 3Å; D395-K398 WeakPolarHBondContact O-CB 3.48Å; D395-K398 PolarHBondContact O-N 2.93Å; D395-K398 VanDerWaalsContact O-N 3.09Å; D395-K398 IonicContact OD1-NZ 2.81Å; D395-K398 PolarHBondContact OD1-NZ 3.04Å
396	L	85.8	Confident	81.7	Confident	7 Å²	7	62 Å²	62	4%	0.037	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-63.4	-16.3	172.6	-65.8	175.9	0	0	0	113.8	L377 R380 L381 G392 L394 K398 D399 F412	L377-L396 HydrophobicContact CD2-CB 3.97Å; L377-L396 HydrophobicContact CD2-CD2 3.93Å; L377-L396 HydrophobicContact CD2-CG 4.41Å; R380-L396 HydrophobicContact CB-CD1 3.9Å; R380-L396 HydrophobicContact CB-CD2 4.14Å; L381-L396 VanDerWaalsContact CA-CD1 3.49Å; L381-L396 HydrophobicContact CB-CD1 3.89Å; L381-L396 HydrophobicContact CD1-CD1 4.31Å; G392-L396 WeakPolarHBondContact O-CG 3.2Å; G392-L396 PolarHBondContact O-N 3.35Å; L394-L396 PolarHBondContact O-N 3.2Å; L396-K398 PolarHBondContact O-N 3.17Å; L396-D399 WeakPolarHBondContact O-CB 3.02Å; L396-D399 PolarHBondContact O-N 3.32Å; L396-F412 HydrophobicContact CB-CE1 3.76Å; L396-F412 HydrophobicContact CB-CZ 3.9Å
397	L	86.1	Confident	81.7	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-63.5	-29.6	172.8	-67.9	170.4	0	0	0	111.6	L394 D395 D399 L400 F412 L426 Q429 L439	L394-L397 HydrophobicContact CD2-CD1 3.97Å; L394-L397 WeakPolarHBondContact O-CB 3.45Å; L394-L397 WeakPolarHBondContact O-CG 3.34Å; L394-L397 PolarHBondContact O-N 3.45Å; D395-L397 PolarHBondContact O-N 3Å; L397-D399 PolarHBondContact O-N 3.34Å; L397-L400 HydrophobicContact CD2-CD1 3.73Å; L397-L400 VanDerWaalsContact O-CB 3.28Å; L397-L400 WeakPolarHBondContact O-CB 3.27Å; L397-L400 PolarHBondContact O-N 2.76Å; L397-L400 VanDerWaalsContact O-N 3.1Å; L397-F412 HydrophobicContact CD2-CB 4.15Å; L397-F412 HydrophobicContact CD2-CD1 3.32Å; L397-F412 HydrophobicContact CD2-CE1 3.8Å; L397-F412 HydrophobicContact CD2-CG 3.85Å; L397-F412 HydrophobicContact CG-CD1 4Å; L397-F412 HydrophobicContact CG-CE1 4.15Å; L397-L426 HydrophobicContact CD1-CD2 4Å; L397-Q429 HydrophobicContact CD1-CB 4.36Å; L397-L439 HydrophobicContact CD2-CD2 4.18Å
398	K	84.2	Confident	81.7	Confident	131 Å²	131	51.1 Å²	51.1	57%	0.57	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-67	-20.6	177.2	-62.3	167.8	-178.7	157.3	0	112.6	D395 L396 L400	D395-K398 WeakPolarHBondContact O-CB 3.48Å; D395-K398 PolarHBondContact O-N 2.93Å; D395-K398 VanDerWaalsContact O-N 3.09Å; D395-K398 IonicContact OD1-NZ 2.81Å; D395-K398 PolarHBondContact OD1-NZ 3.04Å; L396-K398 PolarHBondContact O-N 3.17Å; K398-L400 VanDerWaalsContact C-N 3.3Å
399	D	83.5	Confident	82	Confident	60 Å²	60	44.7 Å²	44.7	32%	0.321	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-86.4	-0.8	176.8	-64.8	-10.9	0	0	0	112.4	L377 R380 L396 L397 N404	L377-D399 HydrophobicContact CD1-CB 3.86Å; L377-D399 HydrophobicContact CD2-CB 3.63Å; L377-D399 HydrophobicContact CG-CB 4.16Å; R380-D399 IonicContact CZ-OD2 3.64Å; R380-D399 VanDerWaalsContact CZ-OD2 3.32Å; R380-D399 IonicContact NH1-OD2 2.79Å; R380-D399 PolarHBondContact NH1-OD2 3.34Å; R380-D399 IonicContact NH2-OD2 2.73Å; R380-D399 PolarHBondContact NH2-OD2 2.87Å; L396-D399 WeakPolarHBondContact O-CB 3.02Å; L396-D399 PolarHBondContact O-N 3.32Å; L397-D399 PolarHBondContact O-N 3.34Å; D399-N404 PolarHBondContact O-ND2 3.08Å; D399-N404 VanDerWaalsContact O-ND2 3.16Å
400	L	82.4	Confident	81.8	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.058	23%	0.234	C	C	.	.			trans	-73.7	140.5	172.3	-68	173	0	0	0	110.8	L397 K398 N404 L407 A408 F412 I435	L397-L400 HydrophobicContact CD2-CD1 3.73Å; L397-L400 VanDerWaalsContact O-CB 3.28Å; L397-L400 WeakPolarHBondContact O-CB 3.27Å; L397-L400 PolarHBondContact O-N 2.76Å; L397-L400 VanDerWaalsContact O-N 3.1Å; K398-L400 VanDerWaalsContact C-N 3.3Å; L400-N404 VanDerWaalsContact CA-OD1 3.32Å; L400-N404 WeakPolarHBondContact CA-OD1 3.29Å; L400-L407 HydrophobicContact CD2-CB 4.05Å; L400-A408 HydrophobicContact CD1-CB 3.93Å; L400-F412 HydrophobicContact CD2-CD2 4.31Å; L400-F412 HydrophobicContact CD2-CE2 3.88Å; L400-F412 HydrophobicContact CD2-CZ 4.47Å; L400-F412 HydrophobicContact CG-CE2 4.4Å; L400-I435 HydrophobicContact CB-CD1 3.91Å; L400-I435 HydrophobicContact CB-CG1 4.42Å; L400-I435 HydrophobicContact CD1-CG2 4.05Å
401	N	80.2	Confident	81.8	Confident	64 Å²	64	43 Å²	43	34%	0.342	23%	0.226	S	C	.	.			trans	-149.6	176.9	179.1	65.2	52.9	0	0	0	109.7	T403 N404 I405	N401-T403 PolarHBondContact O-N 3.03Å; N401-T403 WeakPolarHBondContact OD1-CA 3.49Å; N401-T403 WeakPolarHBondContact OD1-CB 3.28Å; N401-T403 PolarHBondContact OD1-N 3.31Å; N401-T403 PolarHBondContact OD1-OG1 2.89Å; N401-N404 PolarHBondContact N-OD1 3.25Å; N401-N404 CarbonylContact O-C 3.43Å; N401-N404 PolarHBondContact O-N 3.13Å; N401-N404 VanDerWaalsContact O-N 3.11Å; N401-N404 PolarHBondContact O-OD1 3.02Å; N401-N404 PolarHBondContact OD1-N 3.24Å; N401-I405 WeakPolarHBondContact O-CA 3.38Å; N401-I405 WeakPolarHBondContact O-CB 3.35Å; N401-I405 PolarHBondContact O-N 3.06Å
402	K	71.1	Confident	81.9	Confident	173 Å²	173	38.6 Å²	38.6	75%	0.752	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.9	-177.8	-68.5	-175.9	178.1	177.5	0	115
403	T	64.6	Low	82.1	Confident	125 Å²	125	37.8 Å²	37.8	77%	0.767	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-30.3	-178.1	70.5	0	0	0	0	112.9	N401	N401-T403 PolarHBondContact O-N 3.03Å; N401-T403 WeakPolarHBondContact OD1-CA 3.49Å; N401-T403 WeakPolarHBondContact OD1-CB 3.28Å; N401-T403 PolarHBondContact OD1-N 3.31Å; N401-T403 PolarHBondContact OD1-OG1 2.89Å
404	N	73.4	Confident	82.1	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.032	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	8	-176.1	69	9.6	0	0	0	113.4	L373 L377 D399 L400 N401 A406 L407	L373-N404 HydrophobicContact CD2-CB 4.26Å; L377-N404 WeakPolarHBondContact CD1-ND2 3.48Å; D399-N404 PolarHBondContact O-ND2 3.08Å; D399-N404 VanDerWaalsContact O-ND2 3.16Å; L400-N404 VanDerWaalsContact CA-OD1 3.32Å; L400-N404 WeakPolarHBondContact CA-OD1 3.29Å; N401-N404 PolarHBondContact N-OD1 3.25Å; N401-N404 CarbonylContact O-C 3.43Å; N401-N404 PolarHBondContact O-N 3.13Å; N401-N404 VanDerWaalsContact O-N 3.11Å; N401-N404 PolarHBondContact O-OD1 3.02Å; N401-N404 PolarHBondContact OD1-N 3.24Å; N404-A406 PolarHBondContact O-N 2.79Å; N404-L407 HydrophobicContact CB-CD1 4.02Å; N404-L407 HydrophobicContact CB-CG 4.43Å; N404-L407 VanDerWaalsContact O-CB 3.27Å; N404-L407 WeakPolarHBondContact O-CB 3.42Å; N404-L407 WeakPolarHBondContact O-CG 3.32Å; N404-L407 PolarHBondContact O-N 3.17Å
405	I	82.4	Confident	82	Confident	3 Å²	3	43 Å²	43	2%	0.015	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.9	-179.3	-161.4	163.9	0	0	0	113.3	N401 L407 A408 E434 A438	N401-I405 WeakPolarHBondContact O-CA 3.38Å; N401-I405 WeakPolarHBondContact O-CB 3.35Å; N401-I405 PolarHBondContact O-N 3.06Å; I405-L407 PolarHBondContact O-N 3.22Å; I405-A408 WeakPolarHBondContact O-CB 3.35Å; I405-A408 PolarHBondContact O-N 2.8Å; I405-E434 HydrophobicContact CD1-CB 4.21Å; I405-A438 HydrophobicContact CD1-CB 4.08Å; I405-A438 HydrophobicContact CG1-CB 3.73Å
406	A	80.3	Confident	82	Confident	19 Å²	19	40.1 Å²	40.1	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-28.3	173	0	0	0	0	0	113.8	N404 A408 Y409 T410	N404-A406 PolarHBondContact O-N 2.79Å; A406-A408 PolarHBondContact O-N 3.42Å; A406-Y409 VanDerWaalsContact CA-CZ 3.46Å; A406-Y409 WeakPolarHBondContact CA-OH 3.48Å; A406-Y409 HydrophobicContact CB-CE1 4.28Å; A406-Y409 HydrophobicContact CB-CE2 4.34Å; A406-Y409 VanDerWaalsContact CB-OH 3.22Å; A406-Y409 WeakPolarHBondContact CB-OH 3.27Å; A406-T410 WeakPolarHBondContact O-CB 3.35Å; A406-T410 WeakPolarHBondContact O-CG2 3.43Å; A406-T410 PolarHBondContact O-N 3Å; A406-T410 PolarHBondContact O-OG1 3.28Å
407	L	82.4	Confident	82	Confident	32 Å²	32	41.2 Å²	41.2	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-29.1	176.2	-62.5	-179.9	0	0	0	111.7	L400 N404 I405 Y409 T410 L411 F412	L400-L407 HydrophobicContact CD2-CB 4.05Å; N404-L407 HydrophobicContact CB-CD1 4.02Å; N404-L407 HydrophobicContact CB-CG 4.43Å; N404-L407 VanDerWaalsContact O-CB 3.27Å; N404-L407 WeakPolarHBondContact O-CB 3.42Å; N404-L407 WeakPolarHBondContact O-CG 3.32Å; N404-L407 PolarHBondContact O-N 3.17Å; I405-L407 PolarHBondContact O-N 3.22Å; L407-Y409 PolarHBondContact O-N 3.01Å; L407-T410 WeakPolarHBondContact CA-OG1 3.43Å; L407-L411 HydrophobicContact CD2-CB 4.44Å; L407-L411 HydrophobicContact CD2-CD2 4.34Å; L407-L411 WeakPolarHBondContact O-CA 3.34Å; L407-L411 WeakPolarHBondContact O-CB 3.47Å; L407-L411 PolarHBondContact O-N 2.81Å; L407-F412 HydrophobicContact CB-CD2 4.02Å; L407-F412 HydrophobicContact CB-CE2 4.09Å; L407-F412 WeakPolarHBondContact O-CD2 3.24Å; L407-F412 PolarHBondContact O-N 3.34Å
408	A	85.9	Confident	81.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-53.6	-54.3	178	0	0	0	0	0	111.1	L400 I405 A406 V413 A438 L439	L400-A408 HydrophobicContact CD1-CB 3.93Å; I405-A408 WeakPolarHBondContact O-CB 3.35Å; I405-A408 PolarHBondContact O-N 2.8Å; A406-A408 PolarHBondContact O-N 3.42Å; A408-V413 VanDerWaalsContact O-CG2 3.3Å; A408-V413 WeakPolarHBondContact O-CG2 3.48Å; A408-V413 PolarHBondContact O-N 3.47Å; A408-A438 HydrophobicContact CB-CB 3.99Å; A408-L439 HydrophobicContact CB-CD2 3.97Å; A408-L439 HydrophobicContact CB-CG 4.42Å
409	Y	86.3	Confident	81.6	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.008	23%	0.232	C	C	.	.	I	π-helix	trans	-89.6	-22.6	-177.8	56.4	-103.4	0	0	0	114.6	A406 L407 A438 F441 Y479 R484 L485	A406-Y409 VanDerWaalsContact CA-CZ 3.46Å; A406-Y409 WeakPolarHBondContact CA-OH 3.48Å; A406-Y409 HydrophobicContact CB-CE1 4.28Å; A406-Y409 HydrophobicContact CB-CE2 4.34Å; A406-Y409 VanDerWaalsContact CB-OH 3.22Å; A406-Y409 WeakPolarHBondContact CB-OH 3.27Å; L407-Y409 PolarHBondContact O-N 3.01Å; Y409-A438 HydrophobicContact CD1-CB 4.3Å; Y409-F441 AromaticContact CD1-CD1 3.83Å; Y409-F441 HydrophobicContact CD1-CD1 3.83Å; Y409-F441 HydrophobicContact CD1-CE1 4.21Å; Y409-F441 HydrophobicContact CD2-CD1 4.28Å; Y409-F441 AromaticContact CD2-CE1 3.95Å; Y409-F441 HydrophobicContact CD2-CE1 3.95Å; Y409-F441 HydrophobicContact CE1-CD1 4.38Å; Y409-F441 HydrophobicContact CE1-CE1 4.49Å; Y409-F441 HydrophobicContact CE2-CE1 4.28Å; Y409-F441 AromaticContact CG-CD1 3.79Å; Y409-F441 HydrophobicContact CG-CD1 3.79Å; Y409-F441 AromaticContact CG-CE1 3.94Å; Y409-F441 HydrophobicContact CG-CE1 3.94Å; Y409-Y479 HydrophobicContact CE1-CE1 4.29Å; Y409-R484 WeakPolarHBondContact CE2-O 3.3Å; Y409-R484 PolarHBondContact OH-N 3.11Å; Y409-R484 PolarHBondContact OH-O 2.76Å; Y409-L485 HydrophobicContact CD2-CD2 4.06Å; Y409-L485 HydrophobicContact CE2-CD2 3.98Å
410	T	81.2	Confident	81.5	Confident	56 Å²	56	42.2 Å²	42.2	34%	0.344	25%	0.25	S	C	.	.	I	π-helix	trans	-89.5	-27.1	-179.8	57.3	0	0	0	0	114.6	A406 L407 L485	A406-T410 WeakPolarHBondContact O-CB 3.35Å; A406-T410 WeakPolarHBondContact O-CG2 3.43Å; A406-T410 PolarHBondContact O-N 3Å; A406-T410 PolarHBondContact O-OG1 3.28Å; L407-T410 WeakPolarHBondContact CA-OG1 3.43Å; T410-L485 HydrophobicContact CG2-CD2 4.2Å
411	L	82.8	Confident	81.7	Confident	33 Å²	33	42.2 Å²	42.2	17%	0.173	25%	0.25	C	S	.	.	I	π-helix	trans	-130	-55.1	-169	-167.4	71.3	0	0	0	112.7	L381 L407 R415	L381-L411 HydrophobicContact CD2-CD2 3.76Å; L381-L411 HydrophobicContact CD2-CG 3.75Å; L407-L411 HydrophobicContact CD2-CB 4.44Å; L407-L411 HydrophobicContact CD2-CD2 4.34Å; L407-L411 WeakPolarHBondContact O-CA 3.34Å; L407-L411 WeakPolarHBondContact O-CB 3.47Å; L407-L411 PolarHBondContact O-N 2.81Å; L411-R415 VanDerWaalsContact CD1-CZ 3.46Å; L411-R415 VanDerWaalsContact O-CB 3.3Å; L411-R415 WeakPolarHBondContact O-CB 3.39Å; L411-R415 VanDerWaalsContact O-CG 3.31Å; L411-R415 WeakPolarHBondContact O-CG 3.2Å; L411-R415 PolarHBondContact O-N 2.87Å
412	F	86.7	Confident	82.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-63.3	-57.5	-175.8	-82.1	-98.8	0	0	0	111.6	L377 L381 L396 L397 L400 L407 R415 L416	L377-F412 HydrophobicContact CD2-CZ 4.22Å; L381-F412 HydrophobicContact CD1-CD1 4.08Å; L381-F412 HydrophobicContact CD1-CE1 3.98Å; L381-F412 HydrophobicContact CD2-CD1 4Å; L381-F412 HydrophobicContact CD2-CD2 3.94Å; L381-F412 HydrophobicContact CD2-CE1 4.15Å; L381-F412 HydrophobicContact CD2-CE2 4.08Å; L381-F412 HydrophobicContact CD2-CG 3.91Å; L381-F412 HydrophobicContact CD2-CZ 4.19Å; L396-F412 HydrophobicContact CB-CE1 3.76Å; L396-F412 HydrophobicContact CB-CZ 3.9Å; L397-F412 HydrophobicContact CD2-CB 4.15Å; L397-F412 HydrophobicContact CD2-CD1 3.32Å; L397-F412 HydrophobicContact CD2-CE1 3.8Å; L397-F412 HydrophobicContact CD2-CG 3.85Å; L397-F412 HydrophobicContact CG-CD1 4Å; L397-F412 HydrophobicContact CG-CE1 4.15Å; L400-F412 HydrophobicContact CD2-CD2 4.31Å; L400-F412 HydrophobicContact CD2-CE2 3.88Å; L400-F412 HydrophobicContact CD2-CZ 4.47Å; L400-F412 HydrophobicContact CG-CE2 4.4Å; L407-F412 HydrophobicContact CB-CD2 4.02Å; L407-F412 HydrophobicContact CB-CE2 4.09Å; L407-F412 WeakPolarHBondContact O-CD2 3.24Å; L407-F412 PolarHBondContact O-N 3.34Å; F412-R415 PolarHBondContact O-N 2.75Å; F412-L416 HydrophobicContact CB-CD1 4.4Å; F412-L416 HydrophobicContact CD1-CD1 4Å; F412-L416 WeakPolarHBondContact O-CB 3.31Å; F412-L416 WeakPolarHBondContact O-CG 3.45Å; F412-L416 PolarHBondContact O-N 2.83Å
413	V	88.8	Confident	82.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-51	-178.7	170.7	0	0	0	0	112.4	A408 R415 M417 L426 L439 R446	A408-V413 VanDerWaalsContact O-CG2 3.3Å; A408-V413 WeakPolarHBondContact O-CG2 3.48Å; A408-V413 PolarHBondContact O-N 3.47Å; V413-R415 VanDerWaalsContact C-N 3.28Å; V413-R415 PolarHBondContact O-N 2.79Å; V413-M417 HydrophobicContact CG1-CG 4.04Å; V413-M417 VanDerWaalsContact O-CB 3.23Å; V413-M417 WeakPolarHBondContact O-CB 3.35Å; V413-M417 WeakPolarHBondContact O-CG 3.41Å; V413-M417 PolarHBondContact O-N 3.41Å; V413-L426 HydrophobicContact CG2-CD1 4.41Å; V413-L439 HydrophobicContact CG2-CB 4.44Å; V413-L439 HydrophobicContact CG2-CD2 3.64Å; V413-R446 HydrophobicContact CG1-CB 4.37Å
414	P	84.6	Confident	83.9	Confident	41 Å²	41	34.1 Å²	34.1	27%	0.266	21%	0.21	S	C	.	.	H	α-helix	trans	-56.8	-39.6	178.5	-27.8	36.4	0	0	0	113.9	S418	P414-S418 WeakPolarHBondContact O-CB 3.23Å; P414-S418 PolarHBondContact O-N 3.13Å; P414-S418 PolarHBondContact O-OG 3.47Å; P414-S418 VanDerWaalsContact O-OG 3.08Å
415	R	83.3	Confident	84.4	Confident	78 Å²	78	37.1 Å²	37.1	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-82.3	-49.2	-174.4	-71.4	-171.6	172.7	178	-7.7	113.5	I385 L411 F412 V413 M417 S418 S419	I385-R415 HydrophobicContact CD1-CB 3.54Å; I385-R415 VanDerWaalsContact CD1-CD 3.49Å; I385-R415 HydrophobicContact CD1-CG 4.07Å; L411-R415 VanDerWaalsContact CD1-CZ 3.46Å; L411-R415 VanDerWaalsContact O-CB 3.3Å; L411-R415 WeakPolarHBondContact O-CB 3.39Å; L411-R415 VanDerWaalsContact O-CG 3.31Å; L411-R415 WeakPolarHBondContact O-CG 3.2Å; L411-R415 PolarHBondContact O-N 2.87Å; F412-R415 PolarHBondContact O-N 2.75Å; V413-R415 VanDerWaalsContact C-N 3.28Å; V413-R415 PolarHBondContact O-N 2.79Å; R415-M417 VanDerWaalsContact C-N 3.34Å; R415-M417 PolarHBondContact O-N 3.25Å; R415-S418 WeakPolarHBondContact O-CB 3.25Å; R415-S418 PolarHBondContact O-N 3.42Å; R415-S418 VanDerWaalsContact O-N 3.09Å; R415-S419 PolarHBondContact O-N 3.36Å; R415-S419 VanDerWaalsContact O-N 3.1Å; R415-S419 PolarHBondContact O-OG 3.39Å
416	L	86.6	Confident	84.6	Confident	1 Å²	1	37 Å²	37	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-41	-178.4	-70.1	176.3	0	0	0	112	L381 A393 L394 F412 S418 S419 G420 V421 L426	L381-L416 HydrophobicContact CD1-CD2 4.44Å; A393-L416 HydrophobicContact CB-CD2 3.52Å; L394-L416 HydrophobicContact CD2-CD1 4.26Å; F412-L416 HydrophobicContact CB-CD1 4.4Å; F412-L416 HydrophobicContact CD1-CD1 4Å; F412-L416 WeakPolarHBondContact O-CB 3.31Å; F412-L416 WeakPolarHBondContact O-CG 3.45Å; F412-L416 PolarHBondContact O-N 2.83Å; L416-S418 VanDerWaalsContact C-N 3.26Å; L416-S418 PolarHBondContact O-N 3.08Å; L416-S419 CarbonylContact O-C 3.45Å; L416-S419 WeakPolarHBondContact O-CA 3.03Å; L416-S419 WeakPolarHBondContact O-CB 3.48Å; L416-S419 PolarHBondContact O-N 3.34Å; L416-G420 PolarHBondContact O-N 3.13Å; L416-V421 HydrophobicContact CB-CB 4.29Å; L416-V421 HydrophobicContact CB-CG2 4.27Å; L416-V421 WeakPolarHBondContact O-CB 3.4Å; L416-V421 WeakPolarHBondContact O-CG2 3.3Å; L416-V421 PolarHBondContact O-N 3Å; L416-L426 HydrophobicContact CB-CD2 4.18Å; L416-L426 HydrophobicContact CD1-CD2 3.45Å; L416-L426 VanDerWaalsContact CD1-CD2 3.45Å; L416-L426 HydrophobicContact CG-CD2 4.45Å
417	M	84.8	Confident	85	Confident	29 Å²	29	37.1 Å²	37.1	14%	0.143	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-27	176.5	-61.5	-74.1	-53.4	0	0	112.1	V413 R415 S419 G420 L426 Y443 R446	V413-M417 HydrophobicContact CG1-CG 4.04Å; V413-M417 VanDerWaalsContact O-CB 3.23Å; V413-M417 WeakPolarHBondContact O-CB 3.35Å; V413-M417 WeakPolarHBondContact O-CG 3.41Å; V413-M417 PolarHBondContact O-N 3.41Å; R415-M417 VanDerWaalsContact C-N 3.34Å; R415-M417 PolarHBondContact O-N 3.25Å; M417-S419 VanDerWaalsContact C-N 3.28Å; M417-G420 PolarHBondContact O-N 3.08Å; M417-L426 HydrophobicContact CG-CD1 4.19Å; M417-L426 HydrophobicContact SD-CD1 3.76Å; M417-Y443 HydrophobicContact CE-CD2 3.82Å; M417-Y443 HydrophobicContact CE-CE2 3.5Å; M417-Y443 HydrophobicContact SD-CD2 4.26Å; M417-Y443 HydrophobicContact SD-CE2 4.48Å; M417-R446 VanDerWaalsContact CB-NH1 3.33Å; M417-R446 PolarHBondContact O-NH2 2.99Å
418	S	82.8	Confident	85.2	Confident	93 Å²	93	42.9 Å²	42.9	65%	0.65	25%	0.247	S	C	*	.	H	α-helix	trans	-74.8	-20.4	171.9	-77.5	0	0	0	0	112.6	P414 R415 L416 G420 R446	P414-S418 WeakPolarHBondContact O-CB 3.23Å; P414-S418 PolarHBondContact O-N 3.13Å; P414-S418 PolarHBondContact O-OG 3.47Å; P414-S418 VanDerWaalsContact O-OG 3.08Å; R415-S418 WeakPolarHBondContact O-CB 3.25Å; R415-S418 PolarHBondContact O-N 3.42Å; R415-S418 VanDerWaalsContact O-N 3.09Å; L416-S418 VanDerWaalsContact C-N 3.26Å; L416-S418 PolarHBondContact O-N 3.08Å; S418-G420 VanDerWaalsContact C-N 3.3Å; S418-R446 PolarHBondContact OG-NH2 3.43Å
419	S	79.4	Confident	85.1	Confident	53 Å²	53	45.8 Å²	45.8	37%	0.371	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	6.1	169.4	-57.7	0	0	0	0	113.5	R415 L416 M417	R415-S419 PolarHBondContact O-N 3.36Å; R415-S419 VanDerWaalsContact O-N 3.1Å; R415-S419 PolarHBondContact O-OG 3.39Å; L416-S419 CarbonylContact O-C 3.45Å; L416-S419 WeakPolarHBondContact O-CA 3.03Å; L416-S419 WeakPolarHBondContact O-CB 3.48Å; L416-S419 PolarHBondContact O-N 3.34Å; M417-S419 VanDerWaalsContact C-N 3.28Å
420	G	82.4	Confident	84.8	Confident	68 Å²	68	46.4 Å²	46.4	70%	0.701	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	5.4	175.1	0	0	0	0	0	116	L416 M417 S418	L416-G420 PolarHBondContact O-N 3.13Å; M417-G420 PolarHBondContact O-N 3.08Å; S418-G420 VanDerWaalsContact C-N 3.3Å
421	V	85.8	Confident	84.9	Confident	11 Å²	11	52.6 Å²	52.6	7%	0.067	29%	0.289	C	S	.	.			trans	-69.8	135.3	176.2	-176.5	0	0	0	0	110.1	V390 L394 L416 D425 L426	V390-V421 HydrophobicContact CG1-CG2 3.41Å; V390-V421 VanDerWaalsContact CG1-CG2 3.41Å; L394-V421 HydrophobicContact CD2-CG1 4.23Å; L416-V421 HydrophobicContact CB-CB 4.29Å; L416-V421 HydrophobicContact CB-CG2 4.27Å; L416-V421 WeakPolarHBondContact O-CB 3.4Å; L416-V421 WeakPolarHBondContact O-CG2 3.3Å; L416-V421 PolarHBondContact O-N 3Å; V421-D425 HydrophobicContact CG1-CB 3.97Å; V421-L426 HydrophobicContact CG1-CD2 4.15Å; V421-L426 HydrophobicContact CG1-CG 4.01Å
422	S	87.6	Confident	85	Confident	45 Å²	45	54.9 Å²	54.9	32%	0.315	30%	0.302	S	S	.	.			trans	-82	156.5	176.5	83.1	0	0	0	0	112	Q424 D425 L426	S422-Q424 PolarHBondContact O-N 3.02Å; S422-Q424 PolarHBondContact OG-N 3.05Å; S422-D425 WeakPolarHBondContact CB-OD2 3.26Å; S422-D425 PolarHBondContact N-OD2 2.95Å; S422-D425 PolarHBondContact O-N 2.79Å; S422-D425 VanDerWaalsContact O-N 3.16Å; S422-D425 PolarHBondContact OG-N 2.82Å; S422-D425 PolarHBondContact OG-OD2 3.32Å; S422-L426 PolarHBondContact O-N 3.21Å
423	L	87	Confident	85	Confident	17 Å²	17	60.6 Å²	60.6	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-36.7	173.4	177.9	64.5	0	0	0	111.6	D425 L426 L427 L440 Y443 L467	L423-D425 VanDerWaalsContact C-N 3.28Å; L423-D425 PolarHBondContact O-N 3.38Å; L423-L426 WeakPolarHBondContact O-CB 3.11Å; L423-L426 PolarHBondContact O-N 3.15Å; L423-L427 HydrophobicContact CD1-CD1 4.2Å; L423-L427 HydrophobicContact CD1-CD2 4.5Å; L423-L427 HydrophobicContact CD1-CG 4.09Å; L423-L427 HydrophobicContact CD2-CD1 4.41Å; L423-L427 HydrophobicContact CG-CD1 3.91Å; L423-L427 HydrophobicContact CG-CG 4.22Å; L423-L427 VanDerWaalsContact O-CG 3.26Å; L423-L427 WeakPolarHBondContact O-CG 3.34Å; L423-L427 PolarHBondContact O-N 2.69Å; L423-L440 HydrophobicContact CD2-CD2 4.24Å; L423-Y443 HydrophobicContact CB-CD2 4.1Å; L423-Y443 HydrophobicContact CB-CE2 4.22Å; L423-Y443 HydrophobicContact CD1-CD2 4.21Å; L423-Y443 HydrophobicContact CD1-CG 4.14Å; L423-Y443 HydrophobicContact CD2-CD1 3.98Å; L423-Y443 HydrophobicContact CD2-CD2 4.17Å; L423-Y443 HydrophobicContact CD2-CE1 4.32Å; L423-Y443 HydrophobicContact CD2-CE2 4.49Å; L423-Y443 HydrophobicContact CD2-CG 3.9Å; L423-Y443 HydrophobicContact CG-CD2 4.39Å; L423-Y443 HydrophobicContact CG-CG 4.45Å; L423-L467 HydrophobicContact CD2-CD1 3.63Å
424	Q	86.6	Confident	84.9	Confident	130 Å²	130	63.3 Å²	63.3	61%	0.607	34%	0.341	S	S	*	.	H	α-helix	trans	-64.1	-36.1	179.5	-64.8	-176.7	2.4	0	0	111.6	S422 L427 K428	S422-Q424 PolarHBondContact O-N 3.02Å; S422-Q424 PolarHBondContact OG-N 3.05Å; Q424-L427 PolarHBondContact O-N 3.06Å; Q424-K428 VanDerWaalsContact O-CG 3.25Å; Q424-K428 WeakPolarHBondContact O-CG 3.29Å; Q424-K428 PolarHBondContact O-N 3.3Å
425	D	84.8	Confident	85.1	Confident	68 Å²	68	61.8 Å²	61.8	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-70.8	-37.9	177.2	-57	-41.5	0	0	0	111.5	V421 S422 L423 Q429	V421-D425 HydrophobicContact CG1-CB 3.97Å; S422-D425 WeakPolarHBondContact CB-OD2 3.26Å; S422-D425 PolarHBondContact N-OD2 2.95Å; S422-D425 PolarHBondContact O-N 2.79Å; S422-D425 VanDerWaalsContact O-N 3.16Å; S422-D425 PolarHBondContact OG-N 2.82Å; S422-D425 PolarHBondContact OG-OD2 3.32Å; L423-D425 VanDerWaalsContact C-N 3.28Å; L423-D425 PolarHBondContact O-N 3.38Å; D425-Q429 WeakPolarHBondContact O-CG 3.26Å
426	L	86.7	Confident	85.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-45.5	172.8	-69.4	171.9	0	0	0	111.7	L394 L397 V413 L416 M417 V421 S422 L423 Q429	L394-L426 HydrophobicContact CD2-CD2 3.68Å; L397-L426 HydrophobicContact CD1-CD2 4Å; V413-L426 HydrophobicContact CG2-CD1 4.41Å; L416-L426 HydrophobicContact CB-CD2 4.18Å; L416-L426 HydrophobicContact CD1-CD2 3.45Å; L416-L426 VanDerWaalsContact CD1-CD2 3.45Å; L416-L426 HydrophobicContact CG-CD2 4.45Å; M417-L426 HydrophobicContact CG-CD1 4.19Å; M417-L426 HydrophobicContact SD-CD1 3.76Å; V421-L426 HydrophobicContact CG1-CD2 4.15Å; V421-L426 HydrophobicContact CG1-CG 4.01Å; S422-L426 PolarHBondContact O-N 3.21Å; L423-L426 WeakPolarHBondContact O-CB 3.11Å; L423-L426 PolarHBondContact O-N 3.15Å; L426-Q429 PolarHBondContact O-N 2.88Å
427	L	88.9	Confident	85.7	Confident	23 Å²	23	60.1 Å²	60.1	12%	0.12	33%	0.326	C	S	.	.	H	α-helix	trans	-69.8	-33.1	-177.3	-67.5	177.9	0	0	0	112.6	L423 Q424 Q429 T430 I436 L439 L440 Y471	L423-L427 HydrophobicContact CD1-CD1 4.2Å; L423-L427 HydrophobicContact CD1-CD2 4.5Å; L423-L427 HydrophobicContact CD1-CG 4.09Å; L423-L427 HydrophobicContact CD2-CD1 4.41Å; L423-L427 HydrophobicContact CG-CD1 3.91Å; L423-L427 HydrophobicContact CG-CG 4.22Å; L423-L427 VanDerWaalsContact O-CG 3.26Å; L423-L427 WeakPolarHBondContact O-CG 3.34Å; L423-L427 PolarHBondContact O-N 2.69Å; Q424-L427 PolarHBondContact O-N 3.06Å; L427-Q429 PolarHBondContact O-N 3.34Å; L427-T430 VanDerWaalsContact O-O 3.11Å; L427-I436 HydrophobicContact CD2-CB 4.4Å; L427-I436 HydrophobicContact CD2-CG1 4.35Å; L427-I436 HydrophobicContact CD2-CG2 3.85Å; L427-L439 HydrophobicContact CD2-CB 4.48Å; L427-L440 HydrophobicContact CD1-CD2 4.02Å; L427-L440 HydrophobicContact CD2-CD2 4.37Å; L427-L440 HydrophobicContact CD2-CG 4.28Å; L427-Y471 HydrophobicContact CD1-CE1 3.84Å; L427-Y471 WeakPolarHBondContact CD1-OH 3.1Å
428	K	86.4	Confident	85.9	Confident	152 Å²	152	58.7 Å²	58.7	66%	0.661	32%	0.319	S	S	*	.	H	α-helix	trans	-66.6	-23.9	176.2	-76.8	170.2	-174.8	171.5	0	113.7	Q424	Q424-K428 VanDerWaalsContact O-CG 3.25Å; Q424-K428 WeakPolarHBondContact O-CG 3.29Å; Q424-K428 PolarHBondContact O-N 3.3Å
429	Q	82.7	Confident	86.4	Confident	62 Å²	62	54.3 Å²	54.3	29%	0.29	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.2	-175.4	-69	-68	-10.5	0	0	113.8	L394 L397 D425 L426 L427	L394-Q429 HydrophobicContact CB-CG 4.25Å; L394-Q429 HydrophobicContact CD1-CG 4.26Å; L394-Q429 HydrophobicContact CD2-CG 4.25Å; L394-Q429 HydrophobicContact CG-CG 4.5Å; L397-Q429 HydrophobicContact CD1-CB 4.36Å; D425-Q429 WeakPolarHBondContact O-CG 3.26Å; L426-Q429 PolarHBondContact O-N 2.88Å; L427-Q429 PolarHBondContact O-N 3.34Å
430	T	81.6	Confident	87	Confident	15 Å²	15	51.8 Å²	51.8	9%	0.092	27%	0.27	C	S	.	.			trans	-131	133.2	-179.3	175.7	0	0	0	0	110.8	L427 D432 I435 I436 L439	L427-T430 VanDerWaalsContact O-O 3.11Å; T430-D432 PolarHBondContact OG1-N 2.95Å; T430-I435 HydrophobicContact CG2-CG2 4.29Å; T430-I436 HydrophobicContact CG2-CG1 3.65Å; T430-L439 HydrophobicContact CG2-CD1 3.72Å
431	E	82.3	Confident	87.5	Confident	185 Å²	185	48.5 Å²	48.5	86%	0.864	24%	0.237	S	C	*	.			trans	-99.5	-15.6	173.5	-64.1	179.8	177.6	0	0	111.9	H433	E431-H433 PolarHBondContact O-N 3.23Å
432	D	85.6	Confident	87.8	Confident	81 Å²	81	48 Å²	48	43%	0.433	23%	0.234	S	C	.	.			trans	-72.1	115.5	-179.4	-172.3	-33.4	0	0	0	110.9	T430 E434 I435 I436	T430-D432 PolarHBondContact OG1-N 2.95Å; D432-E434 VanDerWaalsContact C-N 3.26Å; D432-E434 PolarHBondContact O-N 3.14Å; D432-E434 WeakPolarHBondContact OD1-CB 3.42Å; D432-E434 PolarHBondContact OD1-N 3.49Å; D432-I435 HydrophobicContact CB-CB 4.1Å; D432-I435 HydrophobicContact CB-CD1 3.77Å; D432-I435 HydrophobicContact CB-CG1 3.87Å; D432-I435 PolarHBondContact O-N 2.85Å; D432-I436 WeakPolarHBondContact O-CG1 3.46Å; D432-I436 PolarHBondContact O-N 3.21Å
433	H	87.5	Confident	88	Confident	121 Å²	121	48.1 Å²	48.1	56%	0.56	23%	0.228	S	C	*	.	H	α-helix	trans	-56.8	-33.7	179.6	-76.6	-162.3	0	0	0	113.6	E431 K437	E431-H433 PolarHBondContact O-N 3.23Å; H433-K437 WeakPolarHBondContact O-CD 3.49Å; H433-K437 WeakPolarHBondContact O-CG 3.38Å; H433-K437 PolarHBondContact O-N 3.46Å
434	E	86	Confident	88.3	Confident	56 Å²	56	47.3 Å²	47.3	26%	0.262	22%	0.223	S	C	.	.	H	α-helix	trans	-75	-37.6	179.2	-69.8	-60.9	127.5	0	0	111.6	I405 D432 K437 A438	I405-E434 HydrophobicContact CD1-CB 4.21Å; D432-E434 VanDerWaalsContact C-N 3.26Å; D432-E434 PolarHBondContact O-N 3.14Å; D432-E434 WeakPolarHBondContact OD1-CB 3.42Å; D432-E434 PolarHBondContact OD1-N 3.49Å; E434-K437 PolarHBondContact O-N 3.47Å; E434-K437 WeakPolarHBondContact OE1-CD 3.24Å; E434-K437 IonicContact OE1-NZ 2.79Å; E434-K437 PolarHBondContact OE1-NZ 2.77Å; E434-A438 WeakPolarHBondContact O-CB 3.39Å; E434-A438 PolarHBondContact O-N 3.36Å
435	I	87.7	Confident	88.6	Confident	9 Å²	9	41.7 Å²	41.7	5%	0.046	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-44.3	172.9	-60.5	177.6	0	0	0	109.7	L400 T430 D432 K437 A438 L439	L400-I435 HydrophobicContact CB-CD1 3.91Å; L400-I435 HydrophobicContact CB-CG1 4.42Å; L400-I435 HydrophobicContact CD1-CG2 4.05Å; T430-I435 HydrophobicContact CG2-CG2 4.29Å; D432-I435 HydrophobicContact CB-CB 4.1Å; D432-I435 HydrophobicContact CB-CD1 3.77Å; D432-I435 HydrophobicContact CB-CG1 3.87Å; D432-I435 PolarHBondContact O-N 2.85Å; I435-K437 PolarHBondContact O-N 3.28Å; I435-A438 WeakPolarHBondContact O-CB 3.45Å; I435-A438 PolarHBondContact O-N 3.08Å; I435-A438 VanDerWaalsContact O-N 3.13Å; I435-L439 HydrophobicContact CG2-CD1 4.03Å; I435-L439 HydrophobicContact CG2-CG 4.25Å; I435-L439 WeakPolarHBondContact O-CG 3.44Å; I435-L439 PolarHBondContact O-N 3.13Å
436	I	91	Very high	88.8	Confident	18 Å²	18	40.7 Å²	40.7	9%	0.092	19%	0.188	C	C	.	.	H	α-helix	trans	-56.1	-50.2	174.8	-71.3	166.1	0	0	0	110.9	L427 T430 D432 A438 L439 L440 L476	L427-I436 HydrophobicContact CD2-CB 4.4Å; L427-I436 HydrophobicContact CD2-CG1 4.35Å; L427-I436 HydrophobicContact CD2-CG2 3.85Å; T430-I436 HydrophobicContact CG2-CG1 3.65Å; D432-I436 WeakPolarHBondContact O-CG1 3.46Å; D432-I436 PolarHBondContact O-N 3.21Å; I436-A438 VanDerWaalsContact C-N 3.28Å; I436-A438 PolarHBondContact O-N 3.44Å; I436-L439 PolarHBondContact O-N 3.35Å; I436-L440 HydrophobicContact CG2-CD1 3.82Å; I436-L440 HydrophobicContact CG2-CG 4.34Å; I436-L440 WeakPolarHBondContact O-CB 3.31Å; I436-L440 WeakPolarHBondContact O-CG 3.28Å; I436-L440 PolarHBondContact O-N 3.01Å; I436-L476 HydrophobicContact CG2-CB 4.34Å; I436-L476 HydrophobicContact CG2-CD1 4Å; I436-L476 HydrophobicContact CG2-CD2 3.91Å; I436-L476 HydrophobicContact CG2-CG 4.31Å
437	K	92.2	Very high	88.9	Confident	26 Å²	26	42.1 Å²	42.1	11%	0.113	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-41.7	176.2	-72.5	162.8	-173.1	179.7	0	111.9	H433 E434 I435 F441 L476 Y479	H433-K437 WeakPolarHBondContact O-CD 3.49Å; H433-K437 WeakPolarHBondContact O-CG 3.38Å; H433-K437 PolarHBondContact O-N 3.46Å; E434-K437 PolarHBondContact O-N 3.47Å; E434-K437 WeakPolarHBondContact OE1-CD 3.24Å; E434-K437 IonicContact OE1-NZ 2.79Å; E434-K437 PolarHBondContact OE1-NZ 2.77Å; I435-K437 PolarHBondContact O-N 3.28Å; K437-F441 WeakPolarHBondContact O-CB 3.3Å; K437-F441 PolarHBondContact O-N 2.7Å; K437-L476 WeakPolarHBondContact CG-O 3.26Å; K437-Y479 HydrophobicContact CB-CD2 3.75Å
438	A	90	Very high	89	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.1	-40.7	178.5	0	0	0	0	0	112.5	I405 A408 Y409 E434 I435 I436 G442 Y479	I405-A438 HydrophobicContact CD1-CB 4.08Å; I405-A438 HydrophobicContact CG1-CB 3.73Å; A408-A438 HydrophobicContact CB-CB 3.99Å; Y409-A438 HydrophobicContact CD1-CB 4.3Å; E434-A438 WeakPolarHBondContact O-CB 3.39Å; E434-A438 PolarHBondContact O-N 3.36Å; I435-A438 WeakPolarHBondContact O-CB 3.45Å; I435-A438 PolarHBondContact O-N 3.08Å; I435-A438 VanDerWaalsContact O-N 3.13Å; I436-A438 VanDerWaalsContact C-N 3.28Å; I436-A438 PolarHBondContact O-N 3.44Å; A438-G442 PolarHBondContact O-N 3.48Å; A438-Y479 HydrophobicContact CB-CD2 4.4Å; A438-Y479 HydrophobicContact CB-CE2 3.75Å
439	L	92	Very high	89.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-43.8	175.4	-69.6	172.7	0	0	0	111.5	L397 A408 V413 L427 T430 I435 I436 G442 Y443	L397-L439 HydrophobicContact CD2-CD2 4.18Å; A408-L439 HydrophobicContact CB-CD2 3.97Å; A408-L439 HydrophobicContact CB-CG 4.42Å; V413-L439 HydrophobicContact CG2-CB 4.44Å; V413-L439 HydrophobicContact CG2-CD2 3.64Å; L427-L439 HydrophobicContact CD2-CB 4.48Å; T430-L439 HydrophobicContact CG2-CD1 3.72Å; I435-L439 HydrophobicContact CG2-CD1 4.03Å; I435-L439 HydrophobicContact CG2-CG 4.25Å; I435-L439 WeakPolarHBondContact O-CG 3.44Å; I435-L439 PolarHBondContact O-N 3.13Å; I436-L439 PolarHBondContact O-N 3.35Å; L439-G442 CarbonylContact O-C 3.51Å; L439-G442 PolarHBondContact O-N 2.94Å; L439-G442 VanDerWaalsContact O-N 3.14Å; L439-Y443 PolarHBondContact O-N 3.06Å
440	L	92.8	Very high	89.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-47.2	175.1	-72.9	170	0	0	0	111.4	L423 L427 I436 G442 Y443 V444 L467 Y471 L476 L477	L423-L440 HydrophobicContact CD2-CD2 4.24Å; L427-L440 HydrophobicContact CD1-CD2 4.02Å; L427-L440 HydrophobicContact CD2-CD2 4.37Å; L427-L440 HydrophobicContact CD2-CG 4.28Å; I436-L440 HydrophobicContact CG2-CD1 3.82Å; I436-L440 HydrophobicContact CG2-CG 4.34Å; I436-L440 WeakPolarHBondContact O-CB 3.31Å; I436-L440 WeakPolarHBondContact O-CG 3.28Å; I436-L440 PolarHBondContact O-N 3.01Å; L440-G442 VanDerWaalsContact C-N 3.31Å; L440-G442 PolarHBondContact O-N 2.91Å; L440-Y443 PolarHBondContact O-N 3.08Å; L440-V444 WeakPolarHBondContact O-CG2 3.4Å; L440-V444 PolarHBondContact O-N 3.46Å; L440-V444 VanDerWaalsContact O-N 3.1Å; L440-L467 HydrophobicContact CD2-CD2 4.39Å; L440-Y471 HydrophobicContact CD1-CD1 3.64Å; L440-Y471 HydrophobicContact CD1-CE1 4.31Å; L440-Y471 HydrophobicContact CD1-CG 3.78Å; L440-Y471 HydrophobicContact CD2-CD1 3.92Å; L440-Y471 HydrophobicContact CD2-CD2 3.68Å; L440-Y471 HydrophobicContact CD2-CE1 4.02Å; L440-Y471 HydrophobicContact CD2-CE2 3.81Å; L440-Y471 HydrophobicContact CD2-CG 3.76Å; L440-Y471 HydrophobicContact CG-CD1 4.44Å; L440-Y471 HydrophobicContact CG-CG 4.45Å; L440-L476 HydrophobicContact CD1-CB 3.95Å; L440-L477 HydrophobicContact CB-CD2 4.21Å; L440-L477 HydrophobicContact CD1-CG 4.26Å
441	F	93.5	Very high	89.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-43.3	172.9	169.7	-112.8	0	0	0	111.7	Y409 K437 Y443 V444 F445 Y479 V483 F522 L526	Y409-F441 AromaticContact CD1-CD1 3.83Å; Y409-F441 HydrophobicContact CD1-CD1 3.83Å; Y409-F441 HydrophobicContact CD1-CE1 4.21Å; Y409-F441 HydrophobicContact CD2-CD1 4.28Å; Y409-F441 AromaticContact CD2-CE1 3.95Å; Y409-F441 HydrophobicContact CD2-CE1 3.95Å; Y409-F441 HydrophobicContact CE1-CD1 4.38Å; Y409-F441 HydrophobicContact CE1-CE1 4.49Å; Y409-F441 HydrophobicContact CE2-CE1 4.28Å; Y409-F441 AromaticContact CG-CD1 3.79Å; Y409-F441 HydrophobicContact CG-CD1 3.79Å; Y409-F441 AromaticContact CG-CE1 3.94Å; Y409-F441 HydrophobicContact CG-CE1 3.94Å; K437-F441 WeakPolarHBondContact O-CB 3.3Å; K437-F441 PolarHBondContact O-N 2.7Å; F441-Y443 VanDerWaalsContact C-N 3.34Å; F441-Y443 PolarHBondContact O-N 2.87Å; F441-V444 PolarHBondContact O-N 3.21Å; F441-F445 HydrophobicContact CE2-CB 4.48Å; F441-F445 HydrophobicContact CZ-CB 4.46Å; F441-F445 HydrophobicContact CZ-CD2 4.3Å; F441-F445 VanDerWaalsContact O-CB 3.25Å; F441-F445 WeakPolarHBondContact O-CB 3.49Å; F441-F445 PolarHBondContact O-N 3.44Å; F441-Y479 HydrophobicContact CB-CD1 4.46Å; F441-Y479 HydrophobicContact CB-CG 4.38Å; F441-Y479 HydrophobicContact CD1-CD1 4.29Å; F441-Y479 HydrophobicContact CD1-CE1 4.46Å; F441-Y479 HydrophobicContact CG-CD1 4.34Å; F441-V483 HydrophobicContact CE1-CG1 3.93Å; F441-V483 HydrophobicContact CE1-CG2 4.1Å; F441-V483 HydrophobicContact CZ-CG1 3.77Å; F441-V483 HydrophobicContact CZ-CG2 4.07Å; F441-F522 HydrophobicContact CE2-CD1 4.09Å; F441-F522 HydrophobicContact CE2-CE1 4.02Å; F441-L526 HydrophobicContact CD2-CD2 3.56Å; F441-L526 HydrophobicContact CD2-CG 4.25Å; F441-L526 HydrophobicContact CE2-CD1 4.06Å; F441-L526 HydrophobicContact CE2-CD2 3.68Å; F441-L526 HydrophobicContact CE2-CG 4.12Å; F441-L526 HydrophobicContact CG-CD2 4.16Å; F441-L526 HydrophobicContact CZ-CD2 4.36Å
442	G	90.8	Very high	89.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-37.8	177.8	0	0	0	0	0	114.1	A438 L439 L440 R446	A438-G442 PolarHBondContact O-N 3.48Å; L439-G442 CarbonylContact O-C 3.51Å; L439-G442 PolarHBondContact O-N 2.94Å; L439-G442 VanDerWaalsContact O-N 3.14Å; L440-G442 VanDerWaalsContact C-N 3.31Å; L440-G442 PolarHBondContact O-N 2.91Å; G442-R446 VanDerWaalsContact O-CB 3.31Å; G442-R446 WeakPolarHBondContact O-CB 3.24Å; G442-R446 PolarHBondContact O-N 2.97Å
443	Y	92.5	Very high	88.9	Confident	48 Å²	48	29.1 Å²	29.1	19%	0.188	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-52.3	176.2	177.4	-91.3	0	0	0	110.5	M417 L423 L439 L440 F441 F445 R446 E447 L467	M417-Y443 HydrophobicContact CE-CD2 3.82Å; M417-Y443 HydrophobicContact CE-CE2 3.5Å; M417-Y443 HydrophobicContact SD-CD2 4.26Å; M417-Y443 HydrophobicContact SD-CE2 4.48Å; L423-Y443 HydrophobicContact CB-CD2 4.1Å; L423-Y443 HydrophobicContact CB-CE2 4.22Å; L423-Y443 HydrophobicContact CD1-CD2 4.21Å; L423-Y443 HydrophobicContact CD1-CG 4.14Å; L423-Y443 HydrophobicContact CD2-CD1 3.98Å; L423-Y443 HydrophobicContact CD2-CD2 4.17Å; L423-Y443 HydrophobicContact CD2-CE1 4.32Å; L423-Y443 HydrophobicContact CD2-CE2 4.49Å; L423-Y443 HydrophobicContact CD2-CG 3.9Å; L423-Y443 HydrophobicContact CG-CD2 4.39Å; L423-Y443 HydrophobicContact CG-CG 4.45Å; L439-Y443 PolarHBondContact O-N 3.06Å; L440-Y443 PolarHBondContact O-N 3.08Å; F441-Y443 VanDerWaalsContact C-N 3.34Å; F441-Y443 PolarHBondContact O-N 2.87Å; Y443-F445 VanDerWaalsContact C-N 3.28Å; Y443-F445 PolarHBondContact O-N 3.18Å; Y443-R446 PolarHBondContact O-N 3.32Å; Y443-R446 VanDerWaalsContact O-N 3.13Å; Y443-E447 HydrophobicContact CD1-CG 4.29Å; Y443-E447 HydrophobicContact CE1-CG 3.81Å; Y443-E447 HydrophobicContact CE2-CG 4.21Å; Y443-E447 PolarHBondContact O-N 3.43Å; Y443-L467 HydrophobicContact CD1-CD1 3.94Å; Y443-L467 HydrophobicContact CD1-CD2 4.5Å; Y443-L467 HydrophobicContact CE1-CD1 3.62Å
444	V	93.1	Very high	88.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-43.3	177.1	175.4	0	0	0	0	110.7	L440 F441 R446 E447 L448 L467 V468 I521 T525	L440-V444 WeakPolarHBondContact O-CG2 3.4Å; L440-V444 PolarHBondContact O-N 3.46Å; L440-V444 VanDerWaalsContact O-N 3.1Å; F441-V444 PolarHBondContact O-N 3.21Å; V444-R446 PolarHBondContact O-N 3.01Å; V444-E447 PolarHBondContact O-N 3.34Å; V444-L448 HydrophobicContact CG1-CD1 3.64Å; V444-L448 HydrophobicContact CG1-CG 4.25Å; V444-L448 WeakPolarHBondContact O-CB 3.47Å; V444-L448 VanDerWaalsContact O-CG 3.24Å; V444-L448 WeakPolarHBondContact O-CG 3.36Å; V444-L448 PolarHBondContact O-N 2.98Å; V444-L467 HydrophobicContact CG2-CD2 4.13Å; V444-V468 HydrophobicContact CG2-CG2 3.82Å; V444-I521 HydrophobicContact CG1-CG2 3.65Å; V444-T525 HydrophobicContact CB-CG2 4.25Å; V444-T525 HydrophobicContact CG1-CG2 3.99Å; V444-T525 HydrophobicContact CG2-CG2 4.03Å
445	F	92.3	Very high	87.8	Confident	11 Å²	11	32.3 Å²	32.3	5%	0.048	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-42.4	177.4	-174.1	-98	0	0	0	112.6	F441 Y443 I449 L485 V489 L493 F522	F441-F445 HydrophobicContact CE2-CB 4.48Å; F441-F445 HydrophobicContact CZ-CB 4.46Å; F441-F445 HydrophobicContact CZ-CD2 4.3Å; F441-F445 VanDerWaalsContact O-CB 3.25Å; F441-F445 WeakPolarHBondContact O-CB 3.49Å; F441-F445 PolarHBondContact O-N 3.44Å; Y443-F445 VanDerWaalsContact C-N 3.28Å; Y443-F445 PolarHBondContact O-N 3.18Å; F445-I449 HydrophobicContact CE1-CD1 4.11Å; F445-I449 HydrophobicContact CZ-CD1 4.17Å; F445-I449 WeakPolarHBondContact O-CB 3.05Å; F445-I449 VanDerWaalsContact O-CG2 3.28Å; F445-I449 WeakPolarHBondContact O-CG2 3.26Å; F445-I449 PolarHBondContact O-N 3Å; F445-L485 HydrophobicContact CD1-CD2 4.37Å; F445-L485 HydrophobicContact CD2-CD1 4.07Å; F445-L485 HydrophobicContact CE1-CD1 4.4Å; F445-L485 HydrophobicContact CE1-CD2 3.88Å; F445-L485 HydrophobicContact CE2-CD1 3.4Å; F445-L485 HydrophobicContact CE2-CD2 4.33Å; F445-L485 HydrophobicContact CE2-CG 4.5Å; F445-L485 HydrophobicContact CZ-CD1 3.6Å; F445-L485 HydrophobicContact CZ-CD2 3.87Å; F445-L485 HydrophobicContact CZ-CG 4.31Å; F445-V489 HydrophobicContact CE1-CG1 3.64Å; F445-V489 HydrophobicContact CZ-CG1 3.73Å; F445-L493 HydrophobicContact CE2-CD2 4.11Å; F445-F522 HydrophobicContact CB-CE1 4.37Å; F445-F522 AromaticContact CD2-CE1 3.83Å; F445-F522 HydrophobicContact CD2-CE1 3.83Å; F445-F522 AromaticContact CD2-CZ 3.63Å; F445-F522 HydrophobicContact CD2-CZ 3.63Å; F445-F522 HydrophobicContact CE2-CZ 4.24Å
446	R	90.2	Very high	87.3	Confident	48 Å²	48	34 Å²	34	18%	0.181	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-42.6	176.9	-179.1	-173	-179.3	-110.4	10	112.1	V413 M417 S418 G442 Y443 V444 I449 S450	V413-R446 HydrophobicContact CG1-CB 4.37Å; M417-R446 VanDerWaalsContact CB-NH1 3.33Å; M417-R446 PolarHBondContact O-NH2 2.99Å; S418-R446 PolarHBondContact OG-NH2 3.43Å; G442-R446 VanDerWaalsContact O-CB 3.31Å; G442-R446 WeakPolarHBondContact O-CB 3.24Å; G442-R446 PolarHBondContact O-N 2.97Å; Y443-R446 PolarHBondContact O-N 3.32Å; Y443-R446 VanDerWaalsContact O-N 3.13Å; V444-R446 PolarHBondContact O-N 3.01Å; R446-I449 WeakPolarHBondContact O-CG2 3.27Å; R446-S450 WeakPolarHBondContact O-CB 3.18Å; R446-S450 PolarHBondContact O-N 3.5Å; R446-S450 VanDerWaalsContact O-N 3.16Å; R446-S450 PolarHBondContact O-OG 3.45Å
447	E	88.8	Confident	87.1	Confident	30 Å²	30	34.3 Å²	34.3	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-45	178.9	-70	-50.8	129.5	0	0	111.1	Y443 V444 I449 S450 R460	Y443-E447 HydrophobicContact CD1-CG 4.29Å; Y443-E447 HydrophobicContact CE1-CG 3.81Å; Y443-E447 HydrophobicContact CE2-CG 4.21Å; Y443-E447 PolarHBondContact O-N 3.43Å; V444-E447 PolarHBondContact O-N 3.34Å; E447-I449 PolarHBondContact O-N 3.33Å; E447-S450 PolarHBondContact O-N 3.4Å; E447-S450 PolarHBondContact O-OG 3.1Å; E447-R460 IonicContact OE2-NH1 3.8Å; E447-R460 PolarHBondContact OE2-NH1 3.41Å
448	L	90.6	Very high	86.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-35.2	179.5	-63.9	174.1	0	0	0	113.1	V444 S450 I451 L461 V518 I521 F522	V444-L448 HydrophobicContact CG1-CD1 3.64Å; V444-L448 HydrophobicContact CG1-CG 4.25Å; V444-L448 WeakPolarHBondContact O-CB 3.47Å; V444-L448 VanDerWaalsContact O-CG 3.24Å; V444-L448 WeakPolarHBondContact O-CG 3.36Å; V444-L448 PolarHBondContact O-N 2.98Å; L448-S450 VanDerWaalsContact C-N 3.3Å; L448-S450 PolarHBondContact O-N 3.18Å; L448-I451 HydrophobicContact CD2-CD1 4.1Å; L448-I451 WeakPolarHBondContact O-CD1 3.22Å; L448-I451 WeakPolarHBondContact O-CG1 3.48Å; L448-L461 HydrophobicContact CD2-CD2 3.7Å; L448-V518 HydrophobicContact CB-CG1 4.3Å; L448-V518 HydrophobicContact CD1-CG1 4.21Å; L448-V518 HydrophobicContact CD2-CG1 4.43Å; L448-V518 HydrophobicContact CD2-CG2 4.36Å; L448-I521 HydrophobicContact CD1-CB 4.24Å; L448-I521 HydrophobicContact CD1-CG2 4Å; L448-I521 HydrophobicContact CD2-CD1 4.02Å; L448-F522 HydrophobicContact CB-CZ 4.28Å; L448-F522 HydrophobicContact CD1-CD1 4.41Å; L448-F522 HydrophobicContact CD1-CD2 4.41Å; L448-F522 HydrophobicContact CD1-CE1 3.9Å; L448-F522 HydrophobicContact CD1-CE2 3.91Å; L448-F522 HydrophobicContact CD1-CZ 3.62Å
449	I	88.6	Confident	86.6	Confident	22 Å²	22	44.6 Å²	44.6	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-74.8	-19.1	175.8	-161.2	169	0	0	0	112.9	F445 R446 E447 I451 V489 K492 L493 N496	F445-I449 HydrophobicContact CE1-CD1 4.11Å; F445-I449 HydrophobicContact CZ-CD1 4.17Å; F445-I449 WeakPolarHBondContact O-CB 3.05Å; F445-I449 VanDerWaalsContact O-CG2 3.28Å; F445-I449 WeakPolarHBondContact O-CG2 3.26Å; F445-I449 PolarHBondContact O-N 3Å; R446-I449 WeakPolarHBondContact O-CG2 3.27Å; E447-I449 PolarHBondContact O-N 3.33Å; I449-I451 VanDerWaalsContact C-N 3.35Å; I449-V489 HydrophobicContact CD1-CB 4.41Å; I449-V489 HydrophobicContact CD1-CG1 3.29Å; I449-V489 WeakPolarHBondContact CD1-O 3.41Å; I449-K492 HydrophobicContact CD1-CB 4.49Å; I449-K492 HydrophobicContact CD1-CD 4.48Å; I449-K492 HydrophobicContact CG1-CG 4.47Å; I449-L493 HydrophobicContact CB-CD1 4.24Å; I449-L493 HydrophobicContact CD1-CB 4.26Å; I449-L493 HydrophobicContact CG1-CB 4.12Å; I449-L493 HydrophobicContact CG1-CD1 4.43Å; I449-N496 PolarHBondContact O-ND2 3.35Å
450	S	87.1	Confident	86.5	Confident	39 Å²	39	47.5 Å²	47.5	27%	0.273	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.9	-179.6	61	0	0	0	0	114	R446 E447 L448 Q452 R460	R446-S450 WeakPolarHBondContact O-CB 3.18Å; R446-S450 PolarHBondContact O-N 3.5Å; R446-S450 VanDerWaalsContact O-N 3.16Å; R446-S450 PolarHBondContact O-OG 3.45Å; E447-S450 PolarHBondContact O-N 3.4Å; E447-S450 PolarHBondContact O-OG 3.1Å; L448-S450 VanDerWaalsContact C-N 3.3Å; L448-S450 PolarHBondContact O-N 3.18Å; S450-Q452 PolarHBondContact O-N 2.91Å; S450-R460 PolarHBondContact OG-NH1 2.8Å
451	I	84.6	Confident	86.4	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.247	C	C	.	.			trans	-58.3	119.8	169.6	-63.7	171.9	0	0	0	109	L448 I449 L457 L461 N496 V500 V518	L448-I451 HydrophobicContact CD2-CD1 4.1Å; L448-I451 WeakPolarHBondContact O-CD1 3.22Å; L448-I451 WeakPolarHBondContact O-CG1 3.48Å; I449-I451 VanDerWaalsContact C-N 3.35Å; I451-L457 HydrophobicContact CD1-CD1 3.95Å; I451-L457 HydrophobicContact CG1-CD1 4.45Å; I451-L457 HydrophobicContact CG2-CD1 3.74Å; I451-L461 HydrophobicContact CD1-CD2 4.3Å; I451-N496 WeakPolarHBondContact O-CB 3.09Å; I451-N496 PolarHBondContact O-ND2 2.86Å; I451-V500 HydrophobicContact CG2-CB 4.36Å; I451-V500 HydrophobicContact CG2-CG1 3.86Å; I451-V500 HydrophobicContact CG2-CG2 3.7Å; I451-V518 HydrophobicContact CD1-CG2 4.18Å
452	Q	79.1	Confident	86.3	Confident	138 Å²	138	51 Å²	51	65%	0.645	26%	0.264	S	S	*	.			trans	-139.9	-16.2	-179.7	-71.1	-174.9	-21.5	0	0	113.5	S450	S450-Q452 PolarHBondContact O-N 2.91Å
453	S	76.7	Confident	86.3	Confident	44 Å²	44	55.2 Å²	55.2	31%	0.308	29%	0.287	S	S	.	.			trans	-126.7	149.5	179.9	178.5	0	0	0	0	110.3	D455	S453-D455 VanDerWaalsContact C-N 3.28Å; S453-D455 PolarHBondContact OG-N 3.32Å; S453-D455 VanDerWaalsContact OG-N 3.15Å
454	T	76.4	Confident	86.3	Confident	94 Å²	94	53.1 Å²	53.1	58%	0.577	28%	0.279	S	S	*	.	S	Bend	trans	-68.1	-29	170.7	46.1	0	0	0	0	112.3	D456 L457 V500	T454-D456 VanDerWaalsContact C-N 3.32Å; T454-D456 PolarHBondContact O-N 3.49Å; T454-L457 PolarHBondContact O-N 3.36Å; T454-V500 HydrophobicContact CG2-CB 4.43Å
455	D	74.2	Confident	86.2	Confident	149 Å²	149	54.4 Å²	54.4	80%	0.797	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-29.5	-170.4	-59.5	-26.8	0	0	0	113	S453	S453-D455 VanDerWaalsContact C-N 3.28Å; S453-D455 PolarHBondContact OG-N 3.32Å; S453-D455 VanDerWaalsContact OG-N 3.15Å
456	D	77.3	Confident	86.2	Confident	46 Å²	46	59.5 Å²	59.5	25%	0.246	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-7.1	179.7	77.5	16.6	0	0	0	114.1	T454 K458 S459 R460	T454-D456 VanDerWaalsContact C-N 3.32Å; T454-D456 PolarHBondContact O-N 3.49Å; D456-K458 PolarHBondContact O-N 3.47Å; D456-S459 PolarHBondContact O-N 3.19Å; D456-R460 HydrophobicContact CB-CG 4.47Å; D456-R460 WeakPolarHBondContact O-CG 3.47Å; D456-R460 PolarHBondContact O-N 3.49Å; D456-R460 WeakPolarHBondContact OD1-CD 3.43Å; D456-R460 IonicContact OD1-NE 2.71Å; D456-R460 PolarHBondContact OD1-NE 2.76Å; D456-R460 IonicContact OD2-CZ 3.42Å; D456-R460 VanDerWaalsContact OD2-CZ 3.22Å; D456-R460 IonicContact OD2-NE 3.39Å; D456-R460 PolarHBondContact OD2-NE 3.38Å; D456-R460 IonicContact OD2-NH2 2.66Å; D456-R460 PolarHBondContact OD2-NH2 3.4Å
457	L	85.9	Confident	86.4	Confident	23 Å²	23	58.4 Å²	58.4	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-55.2	-53.7	-169.9	177.1	63.8	0	0	0	111.7	I451 T454 S459 R460 L461 V500 V514	I451-L457 HydrophobicContact CD1-CD1 3.95Å; I451-L457 HydrophobicContact CG1-CD1 4.45Å; I451-L457 HydrophobicContact CG2-CD1 3.74Å; T454-L457 PolarHBondContact O-N 3.36Å; L457-S459 VanDerWaalsContact C-N 3.33Å; L457-S459 PolarHBondContact O-N 3.21Å; L457-R460 PolarHBondContact O-N 3.04Å; L457-L461 HydrophobicContact CD1-CD1 3.74Å; L457-L461 HydrophobicContact CD1-CG 4.04Å; L457-L461 HydrophobicContact CG-CD1 3.91Å; L457-L461 HydrophobicContact CG-CG 4.49Å; L457-L461 WeakPolarHBondContact O-CB 3.19Å; L457-L461 VanDerWaalsContact O-CG 3.28Å; L457-L461 WeakPolarHBondContact O-CG 3.3Å; L457-L461 PolarHBondContact O-N 3.02Å; L457-V500 HydrophobicContact CD1-CG2 4.22Å; L457-V500 HydrophobicContact CD2-CB 4.49Å; L457-V500 HydrophobicContact CD2-CG2 4.23Å; L457-V514 HydrophobicContact CD1-CG1 4.09Å; L457-V514 HydrophobicContact CD2-CG1 4.21Å; L457-V514 HydrophobicContact CD2-CG2 3.84Å
458	K	85.5	Confident	86.6	Confident	174 Å²	174	57 Å²	57	76%	0.757	30%	0.303	S	S	*	.	H	α-helix	trans	-62.4	-41.5	-177.5	-169.9	177.6	-178.2	179.9	0	111.7	D456 T462	D456-K458 PolarHBondContact O-N 3.47Å; K458-T462 WeakPolarHBondContact O-CB 3.46Å; K458-T462 PolarHBondContact O-N 2.8Å; K458-T462 PolarHBondContact O-OG1 2.91Å
459	S	87.3	Confident	86.7	Confident	68 Å²	68	60.8 Å²	60.8	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-48.8	178.3	-179.1	0	0	0	0	110.9	D456 L457 L461 T462 N463	D456-S459 PolarHBondContact O-N 3.19Å; L457-S459 VanDerWaalsContact C-N 3.33Å; L457-S459 PolarHBondContact O-N 3.21Å; S459-L461 PolarHBondContact O-N 3.36Å; S459-T462 PolarHBondContact O-N 2.9Å; S459-N463 WeakPolarHBondContact O-CB 2.89Å; S459-N463 PolarHBondContact O-N 3.12Å; S459-N463 PolarHBondContact O-ND2 3.37Å; S459-N463 PolarHBondContact O-OD1 2.96Å
460	R	88.9	Confident	87	Confident	61 Å²	61	64.2 Å²	64.2	23%	0.23	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-44.6	179	-71.5	-176.2	-178.5	-129.3	18.2	113.3	E447 S450 D456 L457 T462 N463 C464	E447-R460 IonicContact OE2-NH1 3.8Å; E447-R460 PolarHBondContact OE2-NH1 3.41Å; S450-R460 PolarHBondContact OG-NH1 2.8Å; D456-R460 HydrophobicContact CB-CG 4.47Å; D456-R460 WeakPolarHBondContact O-CG 3.47Å; D456-R460 PolarHBondContact O-N 3.49Å; D456-R460 WeakPolarHBondContact OD1-CD 3.43Å; D456-R460 IonicContact OD1-NE 2.71Å; D456-R460 PolarHBondContact OD1-NE 2.76Å; D456-R460 IonicContact OD2-CZ 3.42Å; D456-R460 VanDerWaalsContact OD2-CZ 3.22Å; D456-R460 IonicContact OD2-NE 3.39Å; D456-R460 PolarHBondContact OD2-NE 3.38Å; D456-R460 IonicContact OD2-NH2 2.66Å; D456-R460 PolarHBondContact OD2-NH2 3.4Å; L457-R460 PolarHBondContact O-N 3.04Å; R460-T462 VanDerWaalsContact C-N 3.32Å; R460-N463 PolarHBondContact O-N 3.23Å; R460-C464 WeakPolarHBondContact O-CB 3.24Å; R460-C464 PolarHBondContact O-N 3.04Å; R460-C464 PolarHBondContact O-SG 3.26Å
461	L	90.8	Very high	87.2	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.073	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-38.3	178.1	-68.1	176.6	0	0	0	111.7	L448 I451 L457 S459 S465 D517 V518 I521	L448-L461 HydrophobicContact CD2-CD2 3.7Å; I451-L461 HydrophobicContact CD1-CD2 4.3Å; L457-L461 HydrophobicContact CD1-CD1 3.74Å; L457-L461 HydrophobicContact CD1-CG 4.04Å; L457-L461 HydrophobicContact CG-CD1 3.91Å; L457-L461 HydrophobicContact CG-CG 4.49Å; L457-L461 WeakPolarHBondContact O-CB 3.19Å; L457-L461 VanDerWaalsContact O-CG 3.28Å; L457-L461 WeakPolarHBondContact O-CG 3.3Å; L457-L461 PolarHBondContact O-N 3.02Å; S459-L461 PolarHBondContact O-N 3.36Å; L461-S465 WeakPolarHBondContact O-CB 3.27Å; L461-S465 PolarHBondContact O-N 3.32Å; L461-S465 PolarHBondContact O-OG 3.02Å; L461-D517 HydrophobicContact CD1-CB 4Å; L461-V518 HydrophobicContact CD2-CG2 3.87Å; L461-I521 HydrophobicContact CB-CD1 4.34Å; L461-I521 HydrophobicContact CD2-CD1 3.64Å
462	T	91	Very high	87.6	Confident	60 Å²	60	68.3 Å²	68.3	37%	0.368	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-50.3	176.3	-53.7	0	0	0	0	110.4	K458 S459 R460 C464 S465 E466	K458-T462 WeakPolarHBondContact O-CB 3.46Å; K458-T462 PolarHBondContact O-N 2.8Å; K458-T462 PolarHBondContact O-OG1 2.91Å; S459-T462 PolarHBondContact O-N 2.9Å; R460-T462 VanDerWaalsContact C-N 3.32Å; T462-C464 VanDerWaalsContact C-N 3.33Å; T462-C464 PolarHBondContact O-N 3.48Å; T462-S465 WeakPolarHBondContact O-CB 3.47Å; T462-S465 PolarHBondContact O-N 2.91Å; T462-E466 HydrophobicContact CG2-CG 4.44Å; T462-E466 WeakPolarHBondContact O-CG 3.47Å; T462-E466 PolarHBondContact O-N 3.06Å
463	N	90.6	Very high	88.2	Confident	89 Å²	89	66 Å²	66	48%	0.476	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-43.8	177.8	-66.5	-10.4	0	0	0	112	S459 R460 S465 L467	S459-N463 WeakPolarHBondContact O-CB 2.89Å; S459-N463 PolarHBondContact O-N 3.12Å; S459-N463 PolarHBondContact O-ND2 3.37Å; S459-N463 PolarHBondContact O-OD1 2.96Å; R460-N463 PolarHBondContact O-N 3.23Å; N463-S465 VanDerWaalsContact C-N 3.34Å; N463-S465 PolarHBondContact O-N 3.41Å; N463-L467 VanDerWaalsContact O-CB 3.3Å; N463-L467 WeakPolarHBondContact O-CB 3.1Å; N463-L467 PolarHBondContact O-N 3.42Å
464	C	92.7	Very high	88.9	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.027	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-42.4	174.9	-71.7	0	0	0	0	111.3	R460 T462 V468 I521	R460-C464 WeakPolarHBondContact O-CB 3.24Å; R460-C464 PolarHBondContact O-N 3.04Å; R460-C464 PolarHBondContact O-SG 3.26Å; T462-C464 VanDerWaalsContact C-N 3.33Å; T462-C464 PolarHBondContact O-N 3.48Å; C464-V468 WeakPolarHBondContact O-CB 3.33Å; C464-V468 WeakPolarHBondContact O-CG2 3.47Å; C464-V468 PolarHBondContact O-N 3.14Å; C464-I521 HydrophobicContact CB-CD1 4.04Å; C464-I521 HydrophobicContact CB-CG2 4.27Å
465	S	91.7	Very high	89.5	Confident	26 Å²	26	72.5 Å²	72.5	18%	0.182	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-43.3	-179.8	-65.5	0	0	0	0	112.7	L461 T462 N463 V468 N469	L461-S465 WeakPolarHBondContact O-CB 3.27Å; L461-S465 PolarHBondContact O-N 3.32Å; L461-S465 PolarHBondContact O-OG 3.02Å; T462-S465 WeakPolarHBondContact O-CB 3.47Å; T462-S465 PolarHBondContact O-N 2.91Å; N463-S465 VanDerWaalsContact C-N 3.34Å; N463-S465 PolarHBondContact O-N 3.41Å; S465-V468 PolarHBondContact O-N 2.94Å; S465-N469 WeakPolarHBondContact O-CB 3.26Å; S465-N469 PolarHBondContact O-N 3.37Å; S465-N469 PolarHBondContact O-ND2 2.86Å
466	E	92.8	Very high	90.2	Very high	119 Å²	119	66.6 Å²	66.6	56%	0.556	34%	0.338	S	S	*	.	H	α-helix	trans	-61.9	-48.5	177	-73.1	177.6	179.1	0	0	111.2	T462 V468 N469 E470	T462-E466 HydrophobicContact CG2-CG 4.44Å; T462-E466 WeakPolarHBondContact O-CG 3.47Å; T462-E466 PolarHBondContact O-N 3.06Å; E466-V468 VanDerWaalsContact C-N 3.35Å; E466-V468 PolarHBondContact O-N 3.32Å; E466-N469 PolarHBondContact O-N 3.31Å; E466-E470 PolarHBondContact O-N 2.83Å
467	L	93.3	Very high	90.8	Very high	24 Å²	24	64.8 Å²	64.8	13%	0.126	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-45.3	176.5	-177.3	149.7	0	0	0	111.6	L423 L440 Y443 V444 N463 N469 E470 Y471	L423-L467 HydrophobicContact CD2-CD1 3.63Å; L440-L467 HydrophobicContact CD2-CD2 4.39Å; Y443-L467 HydrophobicContact CD1-CD1 3.94Å; Y443-L467 HydrophobicContact CD1-CD2 4.5Å; Y443-L467 HydrophobicContact CE1-CD1 3.62Å; V444-L467 HydrophobicContact CG2-CD2 4.13Å; N463-L467 VanDerWaalsContact O-CB 3.3Å; N463-L467 WeakPolarHBondContact O-CB 3.1Å; N463-L467 PolarHBondContact O-N 3.42Å; L467-N469 VanDerWaalsContact C-N 3.31Å; L467-N469 PolarHBondContact O-N 3.34Å; L467-E470 PolarHBondContact O-N 3.4Å; L467-Y471 HydrophobicContact CD2-CD2 3.91Å; L467-Y471 HydrophobicContact CD2-CE2 4.32Å; L467-Y471 HydrophobicContact CG-CD2 3.9Å; L467-Y471 HydrophobicContact CG-CE2 3.97Å; L467-Y471 VanDerWaalsContact O-CD2 3.3Å; L467-Y471 WeakPolarHBondContact O-CD2 3.44Å; L467-Y471 PolarHBondContact O-N 2.88Å
468	V	93.7	Very high	91.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-40	178.5	170.5	0	0	0	0	111.3	V444 C464 S465 E466 R472 L477 I521 R524 T525	V444-V468 HydrophobicContact CG2-CG2 3.82Å; C464-V468 WeakPolarHBondContact O-CB 3.33Å; C464-V468 WeakPolarHBondContact O-CG2 3.47Å; C464-V468 PolarHBondContact O-N 3.14Å; S465-V468 PolarHBondContact O-N 2.94Å; E466-V468 VanDerWaalsContact C-N 3.35Å; E466-V468 PolarHBondContact O-N 3.32Å; V468-R472 HydrophobicContact CG1-CG 4.39Å; V468-R472 WeakPolarHBondContact O-CB 3.47Å; V468-R472 WeakPolarHBondContact O-CG 3.45Å; V468-R472 PolarHBondContact O-N 3.09Å; V468-L477 HydrophobicContact CB-CD1 4.45Å; V468-L477 HydrophobicContact CG1-CD1 4.2Å; V468-L477 HydrophobicContact CG2-CD1 4.31Å; V468-I521 HydrophobicContact CG2-CG2 4.22Å; V468-R524 HydrophobicContact CG1-CB 3.67Å; V468-T525 HydrophobicContact CB-CG2 4.27Å; V468-T525 HydrophobicContact CG1-CG2 3.92Å; V468-T525 HydrophobicContact CG2-CG2 3.27Å
469	N	93	Very high	91.3	Very high	81 Å²	81	57.3 Å²	57.3	43%	0.433	30%	0.299	S	S	.	.	H	α-helix	trans	-66.5	-42	176.6	-69.1	-20.6	0	0	0	111.7	S465 E466 L467 R472 A473	S465-N469 WeakPolarHBondContact O-CB 3.26Å; S465-N469 PolarHBondContact O-N 3.37Å; S465-N469 PolarHBondContact O-ND2 2.86Å; E466-N469 PolarHBondContact O-N 3.31Å; L467-N469 VanDerWaalsContact C-N 3.31Å; L467-N469 PolarHBondContact O-N 3.34Å; N469-R472 PolarHBondContact O-N 3.44Å; N469-A473 PolarHBondContact O-N 2.96Å
470	E	93.5	Very high	91.2	Very high	93 Å²	93	57.9 Å²	57.9	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-50.9	176.3	-171.3	-162.5	151.9	0	0	111.6	E466 L467 A473 K474	E466-E470 PolarHBondContact O-N 2.83Å; L467-E470 PolarHBondContact O-N 3.4Å; E470-A473 WeakPolarHBondContact O-CB 3.49Å; E470-A473 PolarHBondContact O-N 2.77Å; E470-K474 PolarHBondContact O-N 2.84Å; E470-K474 IonicContact OE1-NZ 3.87Å; E470-K474 PolarHBondContact OE1-NZ 3.02Å
471	Y	93.3	Very high	90.9	Very high	25 Å²	25	57.2 Å²	57.2	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-77.4	-20.6	-177.2	-75.7	-79.5	0	0	0	113.8	L427 L440 L467 K474 E475 L476 L477	L427-Y471 HydrophobicContact CD1-CE1 3.84Å; L427-Y471 WeakPolarHBondContact CD1-OH 3.1Å; L440-Y471 HydrophobicContact CD1-CD1 3.64Å; L440-Y471 HydrophobicContact CD1-CE1 4.31Å; L440-Y471 HydrophobicContact CD1-CG 3.78Å; L440-Y471 HydrophobicContact CD2-CD1 3.92Å; L440-Y471 HydrophobicContact CD2-CD2 3.68Å; L440-Y471 HydrophobicContact CD2-CE1 4.02Å; L440-Y471 HydrophobicContact CD2-CE2 3.81Å; L440-Y471 HydrophobicContact CD2-CG 3.76Å; L440-Y471 HydrophobicContact CG-CD1 4.44Å; L440-Y471 HydrophobicContact CG-CG 4.45Å; L467-Y471 HydrophobicContact CD2-CD2 3.91Å; L467-Y471 HydrophobicContact CD2-CE2 4.32Å; L467-Y471 HydrophobicContact CG-CD2 3.9Å; L467-Y471 HydrophobicContact CG-CE2 3.97Å; L467-Y471 VanDerWaalsContact O-CD2 3.3Å; L467-Y471 WeakPolarHBondContact O-CD2 3.44Å; L467-Y471 PolarHBondContact O-N 2.88Å; Y471-K474 HydrophobicContact CD1-CD 4.2Å; Y471-K474 HydrophobicContact CE1-CD 4.35Å; Y471-K474 PolarHBondContact O-N 3.23Å; Y471-E475 PolarHBondContact O-N 3Å; Y471-L476 HydrophobicContact CD1-CB 4.2Å; Y471-L476 HydrophobicContact CD1-CD1 3.91Å; Y471-L476 HydrophobicContact CE1-CD1 4.28Å; Y471-L476 PolarHBondContact O-N 3.3Å; Y471-L477 PolarHBondContact O-N 3.23Å
472	R	91.2	Very high	90.1	Very high	103 Å²	103	58.2 Å²	58.2	39%	0.389	30%	0.304	S	S	.	.	H	α-helix	trans	-69.4	-40.1	166.2	-76.5	-177.3	95.2	166.1	12.6	111.7	V468 N469 K474 E475 L477 R524	V468-R472 HydrophobicContact CG1-CG 4.39Å; V468-R472 WeakPolarHBondContact O-CB 3.47Å; V468-R472 WeakPolarHBondContact O-CG 3.45Å; V468-R472 PolarHBondContact O-N 3.09Å; N469-R472 PolarHBondContact O-N 3.44Å; R472-K474 PolarHBondContact O-N 3.05Å; R472-E475 PolarHBondContact O-N 3.13Å; R472-L477 HydrophobicContact CG-CB 3.64Å; R472-R524 WeakPolarHBondContact CD-O 3.32Å; R472-R524 VanDerWaalsContact CZ-O 3.31Å; R472-R524 PolarHBondContact NE-O 3.12Å; R472-R524 VanDerWaalsContact NH1-CA 3.33Å; R472-R524 VanDerWaalsContact NH1-CB 3.29Å; R472-R524 PolarHBondContact NH1-O 3.33Å
473	A	92.2	Very high	89.6	Confident	88 Å²	88	55.4 Å²	55.4	73%	0.727	29%	0.287	S	S	*	.	H	α-helix	trans	-63.3	-27	174.3	0	0	0	0	0	112.3	N469 E470	N469-A473 PolarHBondContact O-N 2.96Å; E470-A473 WeakPolarHBondContact O-CB 3.49Å; E470-A473 PolarHBondContact O-N 2.77Å
474	K	91.3	Very high	88.9	Confident	112 Å²	112	56 Å²	56	49%	0.487	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	6	173.5	-65.7	173.3	175.7	172.6	0	114.6	E470 Y471 R472 L476	E470-K474 PolarHBondContact O-N 2.84Å; E470-K474 IonicContact OE1-NZ 3.87Å; E470-K474 PolarHBondContact OE1-NZ 3.02Å; Y471-K474 HydrophobicContact CD1-CD 4.2Å; Y471-K474 HydrophobicContact CE1-CD 4.35Å; Y471-K474 PolarHBondContact O-N 3.23Å; R472-K474 PolarHBondContact O-N 3.05Å; K474-L476 HydrophobicContact CB-CD1 4.29Å; K474-L476 HydrophobicContact CB-CG 4.41Å; K474-L476 PolarHBondContact O-N 3.28Å
475	E	88.6	Confident	88.3	Confident	164 Å²	164	56.2 Å²	56.2	77%	0.766	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	16.6	-176.2	-54.6	-171.5	160.7	0	0	115.5	Y471 R472	Y471-E475 PolarHBondContact O-N 3Å; R472-E475 PolarHBondContact O-N 3.13Å
476	L	89.8	Confident	87.4	Confident	25 Å²	25	58.2 Å²	58.2	13%	0.131	29%	0.292	C	S	.	.			trans	-93.3	4.4	176.6	-67.8	172.3	0	0	0	112.8	I436 K437 L440 Y471 K474	I436-L476 HydrophobicContact CG2-CB 4.34Å; I436-L476 HydrophobicContact CG2-CD1 4Å; I436-L476 HydrophobicContact CG2-CD2 3.91Å; I436-L476 HydrophobicContact CG2-CG 4.31Å; K437-L476 WeakPolarHBondContact CG-O 3.26Å; L440-L476 HydrophobicContact CD1-CB 3.95Å; Y471-L476 HydrophobicContact CD1-CB 4.2Å; Y471-L476 HydrophobicContact CD1-CD1 3.91Å; Y471-L476 HydrophobicContact CE1-CD1 4.28Å; Y471-L476 PolarHBondContact O-N 3.3Å; K474-L476 HydrophobicContact CB-CD1 4.29Å; K474-L476 HydrophobicContact CB-CG 4.41Å; K474-L476 PolarHBondContact O-N 3.28Å
477	L	90.2	Very high	86.5	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.042	29%	0.285	C	S	.	.			trans	-141.7	148.2	166.4	-76.1	177.2	0	0	0	108	L440 V468 Y471 R472 T525	L440-L477 HydrophobicContact CB-CD2 4.21Å; L440-L477 HydrophobicContact CD1-CG 4.26Å; V468-L477 HydrophobicContact CB-CD1 4.45Å; V468-L477 HydrophobicContact CG1-CD1 4.2Å; V468-L477 HydrophobicContact CG2-CD1 4.31Å; Y471-L477 PolarHBondContact O-N 3.23Å; R472-L477 HydrophobicContact CG-CB 3.64Å; L477-T525 HydrophobicContact CD1-CG2 4.23Å
478	P	90.9	Very high	85.7	Confident	40 Å²	40	58.3 Å²	58.3	26%	0.26	31%	0.308	S	S	.	.	S	Bend	cis	-85.6	159.5	14.1	32.4	-35.1	0	0	0	115.7	N480 T525	P478-N480 PolarHBondContact O-OD1 3.42Å; P478-T525 CarbonylContact C-O 3.58Å; P478-T525 VanDerWaalsContact CA-O 3.25Å; P478-T525 WeakPolarHBondContact CA-O 3.38Å; P478-T525 WeakPolarHBondContact CB-O 3.43Å
479	Y	90.9	Very high	85.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-74.2	124.7	168.5	-179	-116.5	0	0	0	110.5	Y409 K437 A438 F441 D481 V483 T525 L526 S527	Y409-Y479 HydrophobicContact CE1-CE1 4.29Å; K437-Y479 HydrophobicContact CB-CD2 3.75Å; A438-Y479 HydrophobicContact CB-CD2 4.4Å; A438-Y479 HydrophobicContact CB-CE2 3.75Å; F441-Y479 HydrophobicContact CB-CD1 4.46Å; F441-Y479 HydrophobicContact CB-CG 4.38Å; F441-Y479 HydrophobicContact CD1-CD1 4.29Å; F441-Y479 HydrophobicContact CD1-CE1 4.46Å; F441-Y479 HydrophobicContact CG-CD1 4.34Å; Y479-D481 HydrophobicContact CE1-CB 4.28Å; Y479-D481 HydrophobicContact CE2-CB 3.87Å; Y479-V483 HydrophobicContact CD1-CG2 4.01Å; Y479-V483 HydrophobicContact CE1-CG2 3.98Å; Y479-T525 PolarHBondContact N-O 3.36Å; Y479-L526 HydrophobicContact CD1-CD2 3.96Å; Y479-S527 PolarHBondContact O-N 3.29Å; Y479-S527 PolarHBondContact O-OG 2.88Å
480	N	85.9	Confident	85	Confident	80 Å²	80	56.7 Å²	56.7	43%	0.428	30%	0.301	S	S	.	.			trans	-105.3	-17.6	-167.9	-67.9	-21.4	0	0	0	113.8	P478 S527	P478-N480 PolarHBondContact O-OD1 3.42Å; N480-S527 VanDerWaalsContact OD1-CB 3.25Å; N480-S527 WeakPolarHBondContact OD1-CB 3.32Å
481	D	81	Confident	84.7	Confident	47 Å²	47	53.4 Å²	53.4	25%	0.251	29%	0.287	S	S	.	.	S	Bend	trans	-83.7	175.7	-175.4	-159.8	1.3	0	0	0	112.3	Y479 V483	Y479-D481 HydrophobicContact CE1-CB 4.28Å; Y479-D481 HydrophobicContact CE2-CB 3.87Å; D481-V483 PolarHBondContact O-N 3.43Å; D481-V483 VanDerWaalsContact O-N 3.15Å
482	V	74.4	Confident	84.5	Confident	35 Å²	35	57.2 Å²	57.2	21%	0.212	30%	0.304	C	S	.	.			trans	-74.2	105.1	-173	-177.1	0	0	0	0	110.6	R484 M533	V482-R484 HydrophobicContact CG1-CG 4.14Å; V482-R484 PolarHBondContact O-N 3.45Å; V482-R484 PolarHBondContact O-NH1 3.32Å; V482-M533 HydrophobicContact CG1-CE 4.41Å
483	V	80.6	Confident	84.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.			trans	-61.1	128.3	169.3	178	0	0	0	0	109.8	F441 Y479 D481 L485 L526 A530 L534 Q537	F441-V483 HydrophobicContact CE1-CG1 3.93Å; F441-V483 HydrophobicContact CE1-CG2 4.1Å; F441-V483 HydrophobicContact CZ-CG1 3.77Å; F441-V483 HydrophobicContact CZ-CG2 4.07Å; Y479-V483 HydrophobicContact CD1-CG2 4.01Å; Y479-V483 HydrophobicContact CE1-CG2 3.98Å; D481-V483 PolarHBondContact O-N 3.43Å; D481-V483 VanDerWaalsContact O-N 3.15Å; V483-L485 HydrophobicContact CG1-CD1 3.89Å; V483-L485 HydrophobicContact CG1-CG 3.97Å; V483-L526 HydrophobicContact CG2-CD1 4.27Å; V483-L526 HydrophobicContact CG2-CD2 3.82Å; V483-A530 HydrophobicContact CG2-CB 4.1Å; V483-L534 HydrophobicContact CG1-CD1 4.44Å; V483-Q537 PolarHBondContact O-NE2 3.18Å
484	R	76	Confident	84.5	Confident	101 Å²	101	48.2 Å²	48.2	38%	0.381	25%	0.251	S	S	.	.			trans	-132.8	109.2	177.7	-63.8	-178.6	-174.9	85.9	-8.9	110.6	Y409 V482	Y409-R484 WeakPolarHBondContact CE2-O 3.3Å; Y409-R484 PolarHBondContact OH-N 3.11Å; Y409-R484 PolarHBondContact OH-O 2.76Å; V482-R484 HydrophobicContact CG1-CG 4.14Å; V482-R484 PolarHBondContact O-N 3.45Å; V482-R484 PolarHBondContact O-NH1 3.32Å
485	L	80.7	Confident	84.5	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.047	24%	0.237	C	C	.	.			trans	-122.7	158.6	-177.3	-65.3	169.9	0	0	0	111.4	Y409 T410 F445 V483 L490 L534	Y409-L485 HydrophobicContact CD2-CD2 4.06Å; Y409-L485 HydrophobicContact CE2-CD2 3.98Å; T410-L485 HydrophobicContact CG2-CD2 4.2Å; F445-L485 HydrophobicContact CD1-CD2 4.37Å; F445-L485 HydrophobicContact CD2-CD1 4.07Å; F445-L485 HydrophobicContact CE1-CD1 4.4Å; F445-L485 HydrophobicContact CE1-CD2 3.88Å; F445-L485 HydrophobicContact CE2-CD1 3.4Å; F445-L485 HydrophobicContact CE2-CD2 4.33Å; F445-L485 HydrophobicContact CE2-CG 4.5Å; F445-L485 HydrophobicContact CZ-CD1 3.6Å; F445-L485 HydrophobicContact CZ-CD2 3.87Å; F445-L485 HydrophobicContact CZ-CG 4.31Å; V483-L485 HydrophobicContact CG1-CD1 3.89Å; V483-L485 HydrophobicContact CG1-CG 3.97Å; L485-L490 HydrophobicContact CB-CD1 4.1Å; L485-L490 HydrophobicContact CB-CD2 4.01Å; L485-L490 HydrophobicContact CB-CG 3.99Å; L485-L490 HydrophobicContact CD1-CD2 3.69Å; L485-L534 HydrophobicContact CD1-CD1 3.77Å
486	N	71.6	Confident	84.6	Confident	68 Å²	68	37.2 Å²	37.2	36%	0.364	21%	0.205	S	C	.	.			trans	-82.1	137.8	176.5	-82.7	-35.7	0	0	0	110.8	R369 S488 V489 L490	R369-N486 PolarHBondContact NH1-OD1 3.3Å; R369-N486 PolarHBondContact NH2-OD1 2.85Å; N486-S488 PolarHBondContact O-N 3.17Å; N486-S488 VanDerWaalsContact O-N 3.16Å; N486-V489 HydrophobicContact CB-CB 4.26Å; N486-V489 HydrophobicContact CB-CG2 3.83Å; N486-V489 WeakPolarHBondContact O-CA 3.22Å; N486-V489 WeakPolarHBondContact O-CB 3.32Å; N486-V489 PolarHBondContact O-N 3.49Å; N486-L490 PolarHBondContact O-N 2.99Å
487	S	74.5	Confident	84.7	Confident	57 Å²	57	36.1 Å²	36.1	40%	0.399	20%	0.199	S	C	.	.	H	α-helix	trans	-56.1	-35.3	178.3	-43.8	0	0	0	0	112.5	V489 L490 V491	S487-V489 VanDerWaalsContact C-N 3.33Å; S487-V489 PolarHBondContact O-N 3.16Å; S487-L490 PolarHBondContact O-N 2.84Å; S487-V491 WeakPolarHBondContact O-CB 3.49Å; S487-V491 VanDerWaalsContact O-CG2 3.27Å; S487-V491 WeakPolarHBondContact O-CG2 3.48Å; S487-V491 PolarHBondContact O-N 2.9Å
488	S	76.7	Confident	84.7	Confident	88 Å²	88	35.9 Å²	35.9	62%	0.615	20%	0.198	S	C	*	.	H	α-helix	trans	-64.3	-36.8	175.5	54.7	0	0	0	0	113.2	N486 K492	N486-S488 PolarHBondContact O-N 3.17Å; N486-S488 VanDerWaalsContact O-N 3.16Å; S488-K492 WeakPolarHBondContact O-CB 3.48Å; S488-K492 PolarHBondContact O-N 3.3Å
489	V	83.1	Confident	84.6	Confident	45 Å²	45	36.1 Å²	36.1	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-73	-39.5	179.1	179.3	0	0	0	0	109.9	F445 I449 N486 S487 K492 L493	F445-V489 HydrophobicContact CE1-CG1 3.64Å; F445-V489 HydrophobicContact CZ-CG1 3.73Å; I449-V489 HydrophobicContact CD1-CB 4.41Å; I449-V489 HydrophobicContact CD1-CG1 3.29Å; I449-V489 WeakPolarHBondContact CD1-O 3.41Å; N486-V489 HydrophobicContact CB-CB 4.26Å; N486-V489 HydrophobicContact CB-CG2 3.83Å; N486-V489 WeakPolarHBondContact O-CA 3.22Å; N486-V489 WeakPolarHBondContact O-CB 3.32Å; N486-V489 PolarHBondContact O-N 3.49Å; S487-V489 VanDerWaalsContact C-N 3.33Å; S487-V489 PolarHBondContact O-N 3.16Å; V489-K492 WeakPolarHBondContact O-CB 3.46Å; V489-K492 PolarHBondContact O-N 3.5Å; V489-L493 PolarHBondContact O-N 3.47Å
490	L	88	Confident	84.5	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-42	175.1	-66	169.7	0	0	0	112.4	L485 N486 S487 K492 L493 V494 L534 Q537 V538 A541	L485-L490 HydrophobicContact CB-CD1 4.1Å; L485-L490 HydrophobicContact CB-CD2 4.01Å; L485-L490 HydrophobicContact CB-CG 3.99Å; L485-L490 HydrophobicContact CD1-CD2 3.69Å; N486-L490 PolarHBondContact O-N 2.99Å; S487-L490 PolarHBondContact O-N 2.84Å; L490-K492 VanDerWaalsContact C-N 3.29Å; L490-K492 PolarHBondContact O-N 3.29Å; L490-L493 WeakPolarHBondContact O-CB 3.48Å; L490-L493 PolarHBondContact O-N 3.08Å; L490-V494 WeakPolarHBondContact O-CG2 3.27Å; L490-V494 PolarHBondContact O-N 3.31Å; L490-L534 HydrophobicContact CD2-CD1 4.09Å; L490-Q537 HydrophobicContact CD1-CB 3.61Å; L490-Q537 WeakPolarHBondContact CD1-O 3.21Å; L490-V538 HydrophobicContact CD2-CG2 4.02Å; L490-A541 HydrophobicContact CB-CB 3.79Å; L490-A541 HydrophobicContact CD1-CB 4.18Å
491	V	87.7	Confident	84.6	Confident	25 Å²	25	33.3 Å²	33.3	15%	0.152	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-43.6	171.5	168.3	0	0	0	0	110	S487 V494 T495 A541 L547 F550	S487-V491 WeakPolarHBondContact O-CB 3.49Å; S487-V491 VanDerWaalsContact O-CG2 3.27Å; S487-V491 WeakPolarHBondContact O-CG2 3.48Å; S487-V491 PolarHBondContact O-N 2.9Å; V491-V494 PolarHBondContact O-N 3.02Å; V491-T495 WeakPolarHBondContact O-CB 3.48Å; V491-T495 PolarHBondContact O-N 2.96Å; V491-T495 PolarHBondContact O-OG1 3.17Å; V491-A541 HydrophobicContact CG2-CB 4.19Å; V491-L547 HydrophobicContact CG1-CD1 3.85Å; V491-F550 HydrophobicContact CG1-CE1 4Å; V491-F550 HydrophobicContact CG1-CZ 4.48Å
492	K	89.1	Confident	84.9	Confident	105 Å²	105	35.3 Å²	35.3	46%	0.457	20%	0.197	S	C	.	.	H	α-helix	trans	-60.9	-44.5	176	-175.2	-178.9	179	-175.5	0	112.3	I449 S488 V489 L490 T495 N496	I449-K492 HydrophobicContact CD1-CB 4.49Å; I449-K492 HydrophobicContact CD1-CD 4.48Å; I449-K492 HydrophobicContact CG1-CG 4.47Å; S488-K492 WeakPolarHBondContact O-CB 3.48Å; S488-K492 PolarHBondContact O-N 3.3Å; V489-K492 WeakPolarHBondContact O-CB 3.46Å; V489-K492 PolarHBondContact O-N 3.5Å; L490-K492 VanDerWaalsContact C-N 3.29Å; L490-K492 PolarHBondContact O-N 3.29Å; K492-T495 PolarHBondContact O-N 3.29Å; K492-N496 WeakPolarHBondContact O-CB 3.34Å; K492-N496 VanDerWaalsContact O-CG 3.3Å; K492-N496 PolarHBondContact O-N 3.17Å; K492-N496 PolarHBondContact O-OD1 2.93Å
493	L	91.7	Very high	85.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.6	-52	175.2	173.7	67.7	0	0	0	110.9	F445 I449 V489 L490 T495 N496 I497 F522	F445-L493 HydrophobicContact CE2-CD2 4.11Å; I449-L493 HydrophobicContact CB-CD1 4.24Å; I449-L493 HydrophobicContact CD1-CB 4.26Å; I449-L493 HydrophobicContact CG1-CB 4.12Å; I449-L493 HydrophobicContact CG1-CD1 4.43Å; V489-L493 PolarHBondContact O-N 3.47Å; L490-L493 WeakPolarHBondContact O-CB 3.48Å; L490-L493 PolarHBondContact O-N 3.08Å; L493-T495 PolarHBondContact O-N 3.34Å; L493-N496 PolarHBondContact O-N 3.49Å; L493-I497 HydrophobicContact CD1-CD1 4.05Å; L493-I497 HydrophobicContact CD1-CG1 4.39Å; L493-I497 HydrophobicContact CG-CD1 3.96Å; L493-I497 VanDerWaalsContact O-CG1 3.29Å; L493-I497 WeakPolarHBondContact O-CG1 3.32Å; L493-I497 PolarHBondContact O-N 3.22Å; L493-F522 HydrophobicContact CD2-CE2 4.04Å; L493-F522 HydrophobicContact CD2-CZ 4.44Å
494	V	92.1	Very high	85.5	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-41.9	-179.6	179	0	0	0	0	111.3	L490 V491 N496 I497 I498 V538 L542 F550 V558	L490-V494 WeakPolarHBondContact O-CG2 3.27Å; L490-V494 PolarHBondContact O-N 3.31Å; V491-V494 PolarHBondContact O-N 3.02Å; V494-N496 VanDerWaalsContact C-N 3.31Å; V494-N496 PolarHBondContact O-N 3.21Å; V494-I497 PolarHBondContact O-N 3.15Å; V494-I498 HydrophobicContact CG1-CG1 4.26Å; V494-I498 WeakPolarHBondContact O-CB 3.38Å; V494-I498 VanDerWaalsContact O-CG1 3.24Å; V494-I498 WeakPolarHBondContact O-CG1 3.22Å; V494-I498 PolarHBondContact O-N 3.17Å; V494-V538 HydrophobicContact CG2-CG1 3.99Å; V494-L542 HydrophobicContact CB-CD2 4.31Å; V494-L542 HydrophobicContact CG1-CD2 4.05Å; V494-L542 HydrophobicContact CG2-CD2 4.36Å; V494-F550 HydrophobicContact CG1-CE1 4.5Å; V494-V558 HydrophobicContact CG1-CG1 3.4Å
495	T	90.9	Very high	85.9	Confident	30 Å²	30	41 Å²	41	18%	0.184	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-45.3	174.9	-60	0	0	0	0	111.7	V491 K492 L493 I498 S499 F550 H551	V491-T495 WeakPolarHBondContact O-CB 3.48Å; V491-T495 PolarHBondContact O-N 2.96Å; V491-T495 PolarHBondContact O-OG1 3.17Å; K492-T495 PolarHBondContact O-N 3.29Å; L493-T495 PolarHBondContact O-N 3.34Å; T495-I498 PolarHBondContact O-N 3.41Å; T495-S499 WeakPolarHBondContact O-CB 3.26Å; T495-S499 PolarHBondContact O-N 3.04Å; T495-F550 WeakPolarHBondContact OG1-CD1 3.49Å; T495-H551 WeakPolarHBondContact CG2-NE2 3.19Å; T495-H551 PolarHBondContact O-CD2 3.47Å
496	N	90.8	Very high	86.1	Confident	16 Å²	16	41 Å²	41	9%	0.086	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-38.5	-179.3	-77.1	8.4	0	0	0	112.7	I449 I451 K492 L493 V494 I498 S499 V500	I449-N496 PolarHBondContact O-ND2 3.35Å; I451-N496 WeakPolarHBondContact O-CB 3.09Å; I451-N496 PolarHBondContact O-ND2 2.86Å; K492-N496 WeakPolarHBondContact O-CB 3.34Å; K492-N496 VanDerWaalsContact O-CG 3.3Å; K492-N496 PolarHBondContact O-N 3.17Å; K492-N496 PolarHBondContact O-OD1 2.93Å; L493-N496 PolarHBondContact O-N 3.49Å; V494-N496 VanDerWaalsContact C-N 3.31Å; V494-N496 PolarHBondContact O-N 3.21Å; N496-I498 VanDerWaalsContact C-N 3.33Å; N496-S499 WeakPolarHBondContact CA-OG 3.41Å; N496-S499 PolarHBondContact O-N 3.33Å; N496-S499 PolarHBondContact O-OG 2.92Å; N496-V500 PolarHBondContact O-N 3.38Å
497	I	91.3	Very high	86.4	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-47.2	172.8	-67.5	166.5	0	0	0	109.9	L493 V494 S499 V500 S501 V514 M515 V518 F519	L493-I497 HydrophobicContact CD1-CD1 4.05Å; L493-I497 HydrophobicContact CD1-CG1 4.39Å; L493-I497 HydrophobicContact CG-CD1 3.96Å; L493-I497 VanDerWaalsContact O-CG1 3.29Å; L493-I497 WeakPolarHBondContact O-CG1 3.32Å; L493-I497 PolarHBondContact O-N 3.22Å; V494-I497 PolarHBondContact O-N 3.15Å; I497-S499 VanDerWaalsContact C-N 3.32Å; I497-S499 PolarHBondContact O-N 3.29Å; I497-V500 WeakPolarHBondContact O-CG2 3.38Å; I497-V500 PolarHBondContact O-N 2.98Å; I497-S501 PolarHBondContact O-N 2.92Å; I497-S501 VanDerWaalsContact O-N 3.17Å; I497-S501 PolarHBondContact O-OG 3.1Å; I497-V514 HydrophobicContact CG2-CG1 4.27Å; I497-M515 HydrophobicContact CG2-CB 3.88Å; I497-M515 HydrophobicContact CG2-CE 4.18Å; I497-M515 HydrophobicContact CG2-CG 4.17Å; I497-V518 HydrophobicContact CD1-CB 4.22Å; I497-V518 HydrophobicContact CD1-CG1 3.71Å; I497-V518 HydrophobicContact CG1-CB 4.44Å; I497-V518 HydrophobicContact CG1-CG1 4.16Å; I497-V518 HydrophobicContact CG1-CG2 4.28Å; I497-F519 HydrophobicContact CD1-CE2 4.08Å
498	I	90.6	Very high	86.5	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-35.1	-179.4	-65.4	-66.3	0	0	0	111.4	V494 T495 N496 V500 S501 I506 M515 F550 H551 I553 V558 L561	V494-I498 HydrophobicContact CG1-CG1 4.26Å; V494-I498 WeakPolarHBondContact O-CB 3.38Å; V494-I498 VanDerWaalsContact O-CG1 3.24Å; V494-I498 WeakPolarHBondContact O-CG1 3.22Å; V494-I498 PolarHBondContact O-N 3.17Å; T495-I498 PolarHBondContact O-N 3.41Å; N496-I498 VanDerWaalsContact C-N 3.33Å; I498-V500 PolarHBondContact O-N 3.01Å; I498-S501 PolarHBondContact O-N 3.16Å; I498-I506 HydrophobicContact CD1-CD1 4.21Å; I498-M515 HydrophobicContact CD1-CE 3.67Å; I498-M515 HydrophobicContact CG1-CE 4.37Å; I498-F550 HydrophobicContact CG2-CB 4.26Å; I498-H551 HydrophobicContact CG2-CB 4.14Å; I498-I553 HydrophobicContact CD1-CD1 4.48Å; I498-I553 HydrophobicContact CG2-CD1 3.56Å; I498-V558 HydrophobicContact CD1-CG1 4.48Å; I498-V558 HydrophobicContact CD1-CG2 4.34Å; I498-V558 HydrophobicContact CG1-CG1 4.42Å; I498-V558 HydrophobicContact CG1-CG2 4.44Å; I498-L561 HydrophobicContact CD1-CD1 3.91Å
499	S	89	Confident	86.6	Confident	45 Å²	45	47.7 Å²	47.7	32%	0.315	26%	0.256	S	S	.	.	H	α-helix	trans	-65.6	-25.2	-178.9	69.9	0	0	0	0	114.2	T495 N496 I497 H551	T495-S499 WeakPolarHBondContact O-CB 3.26Å; T495-S499 PolarHBondContact O-N 3.04Å; N496-S499 WeakPolarHBondContact CA-OG 3.41Å; N496-S499 PolarHBondContact O-N 3.33Å; N496-S499 PolarHBondContact O-OG 2.92Å; I497-S499 VanDerWaalsContact C-N 3.32Å; I497-S499 PolarHBondContact O-N 3.29Å; S499-H551 WeakPolarHBondContact CB-NE2 3.3Å
500	V	88.9	Confident	86.5	Confident	11 Å²	11	48.2 Å²	48.2	7%	0.067	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-0.6	178.2	-58	0	0	0	0	113.1	I451 T454 L457 N496 I497 I498 V514	I451-V500 HydrophobicContact CG2-CB 4.36Å; I451-V500 HydrophobicContact CG2-CG1 3.86Å; I451-V500 HydrophobicContact CG2-CG2 3.7Å; T454-V500 HydrophobicContact CG2-CB 4.43Å; L457-V500 HydrophobicContact CD1-CG2 4.22Å; L457-V500 HydrophobicContact CD2-CB 4.49Å; L457-V500 HydrophobicContact CD2-CG2 4.23Å; N496-V500 PolarHBondContact O-N 3.38Å; I497-V500 WeakPolarHBondContact O-CG2 3.38Å; I497-V500 PolarHBondContact O-N 2.98Å; I498-V500 PolarHBondContact O-N 3.01Å; V500-V514 HydrophobicContact CG2-CG1 3.91Å
501	S	88.4	Confident	86.3	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.063	28%	0.278	C	S	.	.	S	Bend	trans	-76.8	150.5	177	-66.5	0	0	0	0	110.8	I497 I498 I503 S512	I497-S501 PolarHBondContact O-N 2.92Å; I497-S501 VanDerWaalsContact O-N 3.17Å; I497-S501 PolarHBondContact O-OG 3.1Å; I498-S501 PolarHBondContact O-N 3.16Å; S501-I503 PolarHBondContact O-N 2.99Å; S501-S512 PolarHBondContact OG-OG 3.39Å
502	D	87.2	Confident	86.4	Confident	89 Å²	89	52 Å²	52	48%	0.476	27%	0.271	S	S	.	.			trans	-68.1	113.5	172	-175.9	-10.3	0	0	0	110.1	E504 E505 I506	D502-E504 VanDerWaalsContact C-N 3.27Å; D502-E504 PolarHBondContact O-N 3.05Å; D502-E504 WeakPolarHBondContact OD1-CA 3.41Å; D502-E504 WeakPolarHBondContact OD1-CB 3.19Å; D502-E504 PolarHBondContact OD1-N 3.2Å; D502-E505 HydrophobicContact CB-CB 3.75Å; D502-E505 WeakPolarHBondContact O-CB 3.46Å; D502-E505 PolarHBondContact O-N 2.86Å; D502-E505 PolarHBondContact OD1-N 3.06Å; D502-I506 WeakPolarHBondContact O-CG1 3.24Å; D502-I506 PolarHBondContact O-N 2.87Å; D502-I506 VanDerWaalsContact O-N 3.08Å
503	I	84.9	Confident	86.5	Confident	106 Å²	106	50.5 Å²	50.5	54%	0.544	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-33	-179.6	-60.1	175.5	0	0	0	110.6	S501 I506 A507	S501-I503 PolarHBondContact O-N 2.99Å; I503-I506 PolarHBondContact O-N 3.19Å; I503-A507 VanDerWaalsContact O-CB 3.25Å; I503-A507 WeakPolarHBondContact O-CB 3.13Å; I503-A507 PolarHBondContact O-N 3.24Å
504	E	82	Confident	86.4	Confident	119 Å²	119	51 Å²	51	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-68.9	-39.2	175.9	-65.2	-164.1	-166.9	0	0	111.6	D502 A507 K508	D502-E504 VanDerWaalsContact C-N 3.27Å; D502-E504 PolarHBondContact O-N 3.05Å; D502-E504 WeakPolarHBondContact OD1-CA 3.41Å; D502-E504 WeakPolarHBondContact OD1-CB 3.19Å; D502-E504 PolarHBondContact OD1-N 3.2Å; E504-A507 PolarHBondContact O-N 3.13Å; E504-K508 VanDerWaalsContact O-CB 3.28Å; E504-K508 WeakPolarHBondContact O-CB 3.43Å; E504-K508 WeakPolarHBondContact O-CG 3.43Å; E504-K508 PolarHBondContact O-N 3.44Å; E504-K508 IonicContact OE2-NZ 3.35Å; E504-K508 PolarHBondContact OE2-NZ 3.31Å
505	E	85.7	Confident	86.4	Confident	31 Å²	31	50.9 Å²	50.9	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-49.1	174	-169.7	-164.2	170.2	0	0	110.3	D502 A507 K508 L509 T513	D502-E505 HydrophobicContact CB-CB 3.75Å; D502-E505 WeakPolarHBondContact O-CB 3.46Å; D502-E505 PolarHBondContact O-N 2.86Å; D502-E505 PolarHBondContact OD1-N 3.06Å; E505-A507 PolarHBondContact O-N 3.41Å; E505-K508 PolarHBondContact O-N 3.38Å; E505-L509 HydrophobicContact CG-CD1 4.28Å; E505-L509 WeakPolarHBondContact O-CA 3.28Å; E505-L509 WeakPolarHBondContact O-CB 3.49Å; E505-L509 PolarHBondContact O-N 2.82Å; E505-T513 WeakPolarHBondContact OE1-CG2 3.34Å; E505-T513 PolarHBondContact OE1-N 2.97Å; E505-T513 VanDerWaalsContact OE1-N 3.12Å; E505-T513 WeakPolarHBondContact OE2-CG2 2.9Å; E505-T513 PolarHBondContact OE2-N 2.81Å; E505-T513 PolarHBondContact OE2-OG1 3.3Å
506	I	83.9	Confident	86.5	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-43.4	179.7	-67	171.6	0	0	0	110.7	I498 D502 I503 N510 K511 I553 L561	I498-I506 HydrophobicContact CD1-CD1 4.21Å; D502-I506 WeakPolarHBondContact O-CG1 3.24Å; D502-I506 PolarHBondContact O-N 2.87Å; D502-I506 VanDerWaalsContact O-N 3.08Å; I503-I506 PolarHBondContact O-N 3.19Å; I506-N510 VanDerWaalsContact O-CA 3.27Å; I506-N510 WeakPolarHBondContact O-CA 3.18Å; I506-N510 PolarHBondContact O-N 3.28Å; I506-N510 VanDerWaalsContact O-N 3.08Å; I506-K511 WeakPolarHBondContact CA-O 3.46Å; I506-K511 VanDerWaalsContact CG1-O 3.29Å; I506-K511 WeakPolarHBondContact CG1-O 3.3Å; I506-K511 PolarHBondContact N-O 3.16Å; I506-I553 HydrophobicContact CB-CD1 4.28Å; I506-I553 HydrophobicContact CD1-CD1 3.53Å; I506-I553 HydrophobicContact CG1-CD1 4.48Å; I506-I553 HydrophobicContact CG2-CD1 3.8Å; I506-I553 HydrophobicContact CG2-CG1 4.14Å; I506-I553 HydrophobicContact CG2-CG2 4.28Å; I506-L561 HydrophobicContact CD1-CD1 4.17Å; I506-L561 HydrophobicContact CG1-CD1 4.23Å; I506-L561 HydrophobicContact CG2-CD1 4.03Å
507	A	78.1	Confident	86.6	Confident	83 Å²	83	55 Å²	55	69%	0.686	29%	0.293	S	S	*	.	H	α-helix	trans	-68.9	-38.9	-178.8	0	0	0	0	0	113.2	I503 E504 E505	I503-A507 VanDerWaalsContact O-CB 3.25Å; I503-A507 WeakPolarHBondContact O-CB 3.13Å; I503-A507 PolarHBondContact O-N 3.24Å; E504-A507 PolarHBondContact O-N 3.13Å; E505-A507 PolarHBondContact O-N 3.41Å
508	K	77.7	Confident	86.7	Confident	151 Å²	151	55 Å²	55	66%	0.657	29%	0.293	S	S	*	.	H	α-helix	trans	-86.1	-39.8	-176	-70.3	169.7	179.6	162.1	0	113.1	E504 E505	E504-K508 VanDerWaalsContact O-CB 3.28Å; E504-K508 WeakPolarHBondContact O-CB 3.43Å; E504-K508 WeakPolarHBondContact O-CG 3.43Å; E504-K508 PolarHBondContact O-N 3.44Å; E504-K508 IonicContact OE2-NZ 3.35Å; E504-K508 PolarHBondContact OE2-NZ 3.31Å; E505-K508 PolarHBondContact O-N 3.38Å
509	L	77.9	Confident	86.8	Confident	118 Å²	118	54.8 Å²	54.8	62%	0.618	29%	0.292	S	S	*	.	H	α-helix	trans	-114.5	-8.9	-168.1	-61.4	173.9	0	0	0	113.7	E505 K511	E505-L509 HydrophobicContact CG-CD1 4.28Å; E505-L509 WeakPolarHBondContact O-CA 3.28Å; E505-L509 WeakPolarHBondContact O-CB 3.49Å; E505-L509 PolarHBondContact O-N 2.82Å; L509-K511 HydrophobicContact CB-CB 4.34Å; L509-K511 PolarHBondContact O-N 3.35Å
510	N	80.8	Confident	87	Confident	57 Å²	57	53.4 Å²	53.4	31%	0.305	29%	0.285	S	S	.	.	S	Bend	trans	49.4	43.2	-171.1	-158.7	23.4	0	0	0	112	I506 Q560 L561	I506-N510 VanDerWaalsContact O-CA 3.27Å; I506-N510 WeakPolarHBondContact O-CA 3.18Å; I506-N510 PolarHBondContact O-N 3.28Å; I506-N510 VanDerWaalsContact O-N 3.08Å; N510-Q560 PolarHBondContact ND2-OE1 3.3Å; N510-L561 VanDerWaalsContact O-CD2 3.28Å; N510-L561 WeakPolarHBondContact O-CD2 3.41Å
511	K	84.8	Confident	87.3	Confident	104 Å²	104	53.1 Å²	53.1	45%	0.452	28%	0.283	S	S	.	.			trans	-135.6	154	178.8	-72.9	-178.2	-179.6	-176.6	0	109.7	I506 L509	I506-K511 WeakPolarHBondContact CA-O 3.46Å; I506-K511 VanDerWaalsContact CG1-O 3.29Å; I506-K511 WeakPolarHBondContact CG1-O 3.3Å; I506-K511 PolarHBondContact N-O 3.16Å; L509-K511 HydrophobicContact CB-CB 4.34Å; L509-K511 PolarHBondContact O-N 3.35Å
512	S	89.6	Confident	87.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	28%	0.28	C	S	.	.			trans	-134.7	107.9	172.2	165.4	0	0	0	0	108.1	S501 V514 M515 H516	S501-S512 PolarHBondContact OG-OG 3.39Å; S512-V514 VanDerWaalsContact C-N 3.25Å; S512-V514 PolarHBondContact O-N 2.82Å; S512-M515 PolarHBondContact O-N 2.98Å; S512-M515 VanDerWaalsContact O-N 3.15Å; S512-M515 WeakPolarHBondContact OG-CB 3.42Å; S512-M515 PolarHBondContact OG-N 3.46Å; S512-H516 PolarHBondContact O-CD2 3.49Å; S512-H516 PolarHBondContact O-N 2.85Å; S512-H516 VanDerWaalsContact O-N 3.07Å
513	T	89.6	Confident	87.8	Confident	75 Å²	75	49.6 Å²	49.6	46%	0.46	27%	0.269	S	S	.	.	H	α-helix	trans	-50.1	-47.2	170.6	45.6	0	0	0	0	111.8	E505 M515 H516 D517	E505-T513 WeakPolarHBondContact OE1-CG2 3.34Å; E505-T513 PolarHBondContact OE1-N 2.97Å; E505-T513 VanDerWaalsContact OE1-N 3.12Å; E505-T513 WeakPolarHBondContact OE2-CG2 2.9Å; E505-T513 PolarHBondContact OE2-N 2.81Å; E505-T513 PolarHBondContact OE2-OG1 3.3Å; T513-M515 VanDerWaalsContact C-N 3.32Å; T513-M515 PolarHBondContact O-N 2.96Å; T513-H516 WeakPolarHBondContact O-CB 3.33Å; T513-H516 PolarHBondContact O-N 2.92Å; T513-H516 VanDerWaalsContact O-N 3.14Å; T513-D517 PolarHBondContact O-N 2.88Å
514	V	90.5	Very high	88.1	Confident	9 Å²	9	49.6 Å²	49.6	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-41	178.7	-172.9	0	0	0	0	111.9	L457 I497 V500 S512 D517 V518	L457-V514 HydrophobicContact CD1-CG1 4.09Å; L457-V514 HydrophobicContact CD2-CG1 4.21Å; L457-V514 HydrophobicContact CD2-CG2 3.84Å; I497-V514 HydrophobicContact CG2-CG1 4.27Å; V500-V514 HydrophobicContact CG2-CG1 3.91Å; S512-V514 VanDerWaalsContact C-N 3.25Å; S512-V514 PolarHBondContact O-N 2.82Å; V514-D517 PolarHBondContact O-N 3.22Å; V514-V518 HydrophobicContact CG1-CG2 4.11Å; V514-V518 WeakPolarHBondContact O-CB 3.4Å; V514-V518 VanDerWaalsContact O-CG2 3.24Å; V514-V518 WeakPolarHBondContact O-CG2 3.34Å; V514-V518 PolarHBondContact O-N 2.89Å
515	M	92.2	Very high	88.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-41.9	177.6	-163.7	176.5	-68.2	0	0	111.3	I497 I498 S512 T513 F519 L561 V562 V565	I497-M515 HydrophobicContact CG2-CB 3.88Å; I497-M515 HydrophobicContact CG2-CE 4.18Å; I497-M515 HydrophobicContact CG2-CG 4.17Å; I498-M515 HydrophobicContact CD1-CE 3.67Å; I498-M515 HydrophobicContact CG1-CE 4.37Å; S512-M515 PolarHBondContact O-N 2.98Å; S512-M515 VanDerWaalsContact O-N 3.15Å; S512-M515 WeakPolarHBondContact OG-CB 3.42Å; S512-M515 PolarHBondContact OG-N 3.46Å; T513-M515 VanDerWaalsContact C-N 3.32Å; T513-M515 PolarHBondContact O-N 2.96Å; M515-F519 HydrophobicContact CG-CD2 3.64Å; M515-F519 HydrophobicContact CG-CE2 3.78Å; M515-F519 WeakPolarHBondContact O-CB 3.47Å; M515-F519 WeakPolarHBondContact O-CD2 3.41Å; M515-F519 PolarHBondContact O-N 2.87Å; M515-F519 HydrophobicContact SD-CE2 4.45Å; M515-L561 HydrophobicContact CE-CB 3.85Å; M515-L561 HydrophobicContact CE-CD1 4.21Å; M515-L561 HydrophobicContact SD-CB 3.66Å; M515-V562 HydrophobicContact CE-CG2 4.23Å; M515-V562 HydrophobicContact SD-CB 4.39Å; M515-V562 HydrophobicContact SD-CG2 3.66Å; M515-V565 HydrophobicContact CB-CG2 4.24Å; M515-V565 HydrophobicContact CG-CG2 3.93Å; M515-V565 HydrophobicContact SD-CG2 4.22Å
516	H	92.6	Very high	89	Confident	45 Å²	45	42.7 Å²	42.7	21%	0.208	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-41.8	174.1	-85.3	-77.5	0	0	0	112.2	S512 T513 G520 D564 H568	S512-H516 PolarHBondContact O-CD2 3.49Å; S512-H516 PolarHBondContact O-N 2.85Å; S512-H516 VanDerWaalsContact O-N 3.07Å; T513-H516 WeakPolarHBondContact O-CB 3.33Å; T513-H516 PolarHBondContact O-N 2.92Å; T513-H516 VanDerWaalsContact O-N 3.14Å; H516-G520 VanDerWaalsContact O-CA 3.27Å; H516-G520 WeakPolarHBondContact O-CA 3.46Å; H516-G520 PolarHBondContact O-N 3.43Å; H516-D564 IonicContact CE1-OD2 2.74Å; H516-D564 IonicContact NE2-OD2 2.7Å; H516-D564 PolarHBondContact NE2-OD2 3.07Å; H516-H568 AromaticContact CE1-CD2 3.98Å; H516-H568 AromaticContact CE1-CG 3.99Å
517	D	92.3	Very high	89.4	Confident	88 Å²	88	43.1 Å²	43.1	47%	0.471	23%	0.234	S	C	.	.	H	α-helix	trans	-66.4	-49.4	178.2	-72.4	-25.5	0	0	0	112.1	L461 T513 V514 G520 I521	L461-D517 HydrophobicContact CD1-CB 4Å; T513-D517 PolarHBondContact O-N 2.88Å; V514-D517 PolarHBondContact O-N 3.22Å; D517-G520 WeakPolarHBondContact O-CA 3.41Å; D517-G520 PolarHBondContact O-N 3.01Å; D517-I521 WeakPolarHBondContact O-CG1 3.33Å; D517-I521 PolarHBondContact O-N 3.21Å
518	V	93.4	Very high	89.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-50	-178.1	171.2	0	0	0	0	111.1	L448 I451 L461 I497 V514 G520 I521 F522	L448-V518 HydrophobicContact CB-CG1 4.3Å; L448-V518 HydrophobicContact CD1-CG1 4.21Å; L448-V518 HydrophobicContact CD2-CG1 4.43Å; L448-V518 HydrophobicContact CD2-CG2 4.36Å; I451-V518 HydrophobicContact CD1-CG2 4.18Å; L461-V518 HydrophobicContact CD2-CG2 3.87Å; I497-V518 HydrophobicContact CD1-CB 4.22Å; I497-V518 HydrophobicContact CD1-CG1 3.71Å; I497-V518 HydrophobicContact CG1-CB 4.44Å; I497-V518 HydrophobicContact CG1-CG1 4.16Å; I497-V518 HydrophobicContact CG1-CG2 4.28Å; V514-V518 HydrophobicContact CG1-CG2 4.11Å; V514-V518 WeakPolarHBondContact O-CB 3.4Å; V514-V518 VanDerWaalsContact O-CG2 3.24Å; V514-V518 WeakPolarHBondContact O-CG2 3.34Å; V514-V518 PolarHBondContact O-N 2.89Å; V518-G520 VanDerWaalsContact C-N 3.29Å; V518-G520 PolarHBondContact O-N 3.5Å; V518-I521 PolarHBondContact O-N 2.91Å; V518-F522 HydrophobicContact CG1-CD2 4.31Å; V518-F522 HydrophobicContact CG1-CE2 3.93Å; V518-F522 WeakPolarHBondContact O-CD2 3.46Å; V518-F522 PolarHBondContact O-N 3.38Å; V518-F522 VanDerWaalsContact O-N 3.16Å
519	F	94	Very high	90.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.4	-27.2	175.8	-78.4	-80.7	0	0	0	112	I497 M515 I521 F522 G523 F535 V538 V565 Q569	I497-F519 HydrophobicContact CD1-CE2 4.08Å; M515-F519 HydrophobicContact CG-CD2 3.64Å; M515-F519 HydrophobicContact CG-CE2 3.78Å; M515-F519 WeakPolarHBondContact O-CB 3.47Å; M515-F519 WeakPolarHBondContact O-CD2 3.41Å; M515-F519 PolarHBondContact O-N 2.87Å; M515-F519 HydrophobicContact SD-CE2 4.45Å; F519-I521 VanDerWaalsContact C-N 3.34Å; F519-I521 PolarHBondContact O-N 3.21Å; F519-F522 HydrophobicContact CD1-CD2 4.12Å; F519-F522 CarbonylContact O-C 3.59Å; F519-F522 WeakPolarHBondContact O-CA 3.42Å; F519-F522 WeakPolarHBondContact O-CB 3.44Å; F519-F522 PolarHBondContact O-N 3.35Å; F519-F522 VanDerWaalsContact O-N 3.11Å; F519-G523 PolarHBondContact O-N 2.98Å; F519-F535 HydrophobicContact CB-CZ 4.35Å; F519-F535 HydrophobicContact CD1-CD1 4.45Å; F519-F535 AromaticContact CD1-CE1 3.62Å; F519-F535 HydrophobicContact CD1-CE1 3.62Å; F519-F535 AromaticContact CD1-CZ 3.7Å; F519-F535 HydrophobicContact CD1-CZ 3.7Å; F519-F535 HydrophobicContact CE1-CD1 4.26Å; F519-F535 AromaticContact CE1-CE1 3.8Å; F519-F535 HydrophobicContact CE1-CE1 3.8Å; F519-F535 HydrophobicContact CE1-CZ 4.32Å; F519-F535 HydrophobicContact CG-CE1 4.19Å; F519-F535 HydrophobicContact CG-CZ 4.2Å; F519-F535 HydrophobicContact CZ-CE1 4.49Å; F519-V538 HydrophobicContact CE1-CG2 4.3Å; F519-V538 HydrophobicContact CZ-CG1 4.42Å; F519-V538 HydrophobicContact CZ-CG2 4.27Å; F519-V565 HydrophobicContact CB-CG1 3.47Å; F519-V565 VanDerWaalsContact CB-CG1 3.47Å; F519-V565 HydrophobicContact CD2-CG1 4.2Å; F519-V565 HydrophobicContact CG-CG1 4.01Å; F519-Q569 PolarHBondContact O-NE2 3.41Å
520	G	92.7	Very high	90.8	Very high	16 Å²	16	43.4 Å²	43.4	17%	0.165	21%	0.21	C	C	.	.	H	α-helix	trans	-55.4	-46.6	169.3	0	0	0	0	0	112.3	H516 D517 V518 F522 G523 R524	H516-G520 VanDerWaalsContact O-CA 3.27Å; H516-G520 WeakPolarHBondContact O-CA 3.46Å; H516-G520 PolarHBondContact O-N 3.43Å; D517-G520 WeakPolarHBondContact O-CA 3.41Å; D517-G520 PolarHBondContact O-N 3.01Å; V518-G520 VanDerWaalsContact C-N 3.29Å; V518-G520 PolarHBondContact O-N 3.5Å; G520-F522 VanDerWaalsContact C-N 3.35Å; G520-G523 PolarHBondContact O-N 3.45Å; G520-R524 WeakPolarHBondContact O-CG 3.5Å; G520-R524 PolarHBondContact O-N 3.36Å
521	I	94.5	Very high	91.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-40.8	173.3	-64.1	165.5	0	0	0	110.4	V444 L448 L461 C464 V468 D517 V518 F519 G523 R524 T525	V444-I521 HydrophobicContact CG1-CG2 3.65Å; L448-I521 HydrophobicContact CD1-CB 4.24Å; L448-I521 HydrophobicContact CD1-CG2 4Å; L448-I521 HydrophobicContact CD2-CD1 4.02Å; L461-I521 HydrophobicContact CB-CD1 4.34Å; L461-I521 HydrophobicContact CD2-CD1 3.64Å; C464-I521 HydrophobicContact CB-CD1 4.04Å; C464-I521 HydrophobicContact CB-CG2 4.27Å; V468-I521 HydrophobicContact CG2-CG2 4.22Å; D517-I521 WeakPolarHBondContact O-CG1 3.33Å; D517-I521 PolarHBondContact O-N 3.21Å; V518-I521 PolarHBondContact O-N 2.91Å; F519-I521 VanDerWaalsContact C-N 3.34Å; F519-I521 PolarHBondContact O-N 3.21Å; I521-G523 VanDerWaalsContact C-N 3.32Å; I521-G523 PolarHBondContact O-N 3.17Å; I521-R524 PolarHBondContact O-N 3.04Å; I521-R524 VanDerWaalsContact O-N 3.15Å; I521-T525 PolarHBondContact O-N 3.17Å; I521-T525 PolarHBondContact O-OG1 3Å
522	F	94.6	Very high	91.5	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-39.4	172.6	-73.1	-51.2	0	0	0	113.1	F441 F445 L448 L493 V518 F519 G520 R524 T525 L526 L531 L534	F441-F522 HydrophobicContact CE2-CD1 4.09Å; F441-F522 HydrophobicContact CE2-CE1 4.02Å; F445-F522 HydrophobicContact CB-CE1 4.37Å; F445-F522 AromaticContact CD2-CE1 3.83Å; F445-F522 HydrophobicContact CD2-CE1 3.83Å; F445-F522 AromaticContact CD2-CZ 3.63Å; F445-F522 HydrophobicContact CD2-CZ 3.63Å; F445-F522 HydrophobicContact CE2-CZ 4.24Å; L448-F522 HydrophobicContact CB-CZ 4.28Å; L448-F522 HydrophobicContact CD1-CD1 4.41Å; L448-F522 HydrophobicContact CD1-CD2 4.41Å; L448-F522 HydrophobicContact CD1-CE1 3.9Å; L448-F522 HydrophobicContact CD1-CE2 3.91Å; L448-F522 HydrophobicContact CD1-CZ 3.62Å; L493-F522 HydrophobicContact CD2-CE2 4.04Å; L493-F522 HydrophobicContact CD2-CZ 4.44Å; V518-F522 HydrophobicContact CG1-CD2 4.31Å; V518-F522 HydrophobicContact CG1-CE2 3.93Å; V518-F522 WeakPolarHBondContact O-CD2 3.46Å; V518-F522 PolarHBondContact O-N 3.38Å; V518-F522 VanDerWaalsContact O-N 3.16Å; F519-F522 HydrophobicContact CD1-CD2 4.12Å; F519-F522 CarbonylContact O-C 3.59Å; F519-F522 WeakPolarHBondContact O-CA 3.42Å; F519-F522 WeakPolarHBondContact O-CB 3.44Å; F519-F522 PolarHBondContact O-N 3.35Å; F519-F522 VanDerWaalsContact O-N 3.11Å; G520-F522 VanDerWaalsContact C-N 3.35Å; F522-R524 PolarHBondContact O-N 3.35Å; F522-T525 WeakPolarHBondContact CA-OG1 3.36Å; F522-T525 PolarHBondContact O-N 3.15Å; F522-T525 PolarHBondContact O-OG1 2.97Å; F522-L526 WeakPolarHBondContact O-CB 3.18Å; F522-L526 PolarHBondContact O-N 3.17Å; F522-L531 HydrophobicContact CB-CD1 4.27Å; F522-L534 HydrophobicContact CB-CD2 4Å; F522-L534 HydrophobicContact CD1-CD2 4.19Å; F522-L534 HydrophobicContact CD2-CD2 4.01Å; F522-L534 HydrophobicContact CG-CD2 3.81Å
523	G	92.2	Very high	91.3	Very high	25 Å²	25	44.4 Å²	44.4	26%	0.258	21%	0.212	S	C	.	.	H	α-helix	trans	-65.5	-23.3	176.3	0	0	0	0	0	113.8	F519 G520 I521	F519-G523 PolarHBondContact O-N 2.98Å; G520-G523 PolarHBondContact O-N 3.45Å; I521-G523 VanDerWaalsContact C-N 3.32Å; I521-G523 PolarHBondContact O-N 3.17Å
524	R	92.1	Very high	91.4	Very high	105 Å²	105	40.9 Å²	40.9	40%	0.396	19%	0.19	S	C	.	.	H	α-helix	trans	-89.3	-27	174	-63.4	-176.6	-153.2	163.5	9.1	113.4	V468 R472 G520 I521 F522	V468-R524 HydrophobicContact CG1-CB 3.67Å; R472-R524 WeakPolarHBondContact CD-O 3.32Å; R472-R524 VanDerWaalsContact CZ-O 3.31Å; R472-R524 PolarHBondContact NE-O 3.12Å; R472-R524 VanDerWaalsContact NH1-CA 3.33Å; R472-R524 VanDerWaalsContact NH1-CB 3.29Å; R472-R524 PolarHBondContact NH1-O 3.33Å; G520-R524 WeakPolarHBondContact O-CG 3.5Å; G520-R524 PolarHBondContact O-N 3.36Å; I521-R524 PolarHBondContact O-N 3.04Å; I521-R524 VanDerWaalsContact O-N 3.15Å; F522-R524 PolarHBondContact O-N 3.35Å
525	T	93	Very high	91.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-85.2	-28.5	178.7	44	0	0	0	0	113.8	V444 V468 L477 P478 Y479 I521 F522	V444-T525 HydrophobicContact CB-CG2 4.25Å; V444-T525 HydrophobicContact CG1-CG2 3.99Å; V444-T525 HydrophobicContact CG2-CG2 4.03Å; V468-T525 HydrophobicContact CB-CG2 4.27Å; V468-T525 HydrophobicContact CG1-CG2 3.92Å; V468-T525 HydrophobicContact CG2-CG2 3.27Å; L477-T525 HydrophobicContact CD1-CG2 4.23Å; P478-T525 CarbonylContact C-O 3.58Å; P478-T525 VanDerWaalsContact CA-O 3.25Å; P478-T525 WeakPolarHBondContact CA-O 3.38Å; P478-T525 WeakPolarHBondContact CB-O 3.43Å; Y479-T525 PolarHBondContact N-O 3.36Å; I521-T525 PolarHBondContact O-N 3.17Å; I521-T525 PolarHBondContact O-OG1 3Å; F522-T525 WeakPolarHBondContact CA-OG1 3.36Å; F522-T525 PolarHBondContact O-N 3.15Å; F522-T525 PolarHBondContact O-OG1 2.97Å
526	L	93.6	Very high	91.1	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-108.8	149.1	-173.6	-64.1	179.9	0	0	0	112	F441 Y479 V483 F522 A530 L531 L534	F441-L526 HydrophobicContact CD2-CD2 3.56Å; F441-L526 HydrophobicContact CD2-CG 4.25Å; F441-L526 HydrophobicContact CE2-CD1 4.06Å; F441-L526 HydrophobicContact CE2-CD2 3.68Å; F441-L526 HydrophobicContact CE2-CG 4.12Å; F441-L526 HydrophobicContact CG-CD2 4.16Å; F441-L526 HydrophobicContact CZ-CD2 4.36Å; Y479-L526 HydrophobicContact CD1-CD2 3.96Å; V483-L526 HydrophobicContact CG2-CD1 4.27Å; V483-L526 HydrophobicContact CG2-CD2 3.82Å; F522-L526 WeakPolarHBondContact O-CB 3.18Å; F522-L526 PolarHBondContact O-N 3.17Å; L526-A530 HydrophobicContact CB-CB 4.04Å; L526-A530 HydrophobicContact CD2-CB 4.08Å; L526-A530 HydrophobicContact CG-CB 4.48Å; L526-L531 HydrophobicContact CB-CB 4.15Å; L526-L531 HydrophobicContact CD1-CD1 4.46Å; L526-L534 HydrophobicContact CD1-CB 4.15Å; L526-L534 HydrophobicContact CD1-CD2 3.77Å
527	S	92	Very high	90.9	Very high	19 Å²	19	41.6 Å²	41.6	13%	0.133	19%	0.193	C	C	.	.			trans	-63.9	158.3	166.3	68.3	0	0	0	0	110.7	Y479 N480 R529 A530 L531	Y479-S527 PolarHBondContact O-N 3.29Å; Y479-S527 PolarHBondContact O-OG 2.88Å; N480-S527 VanDerWaalsContact OD1-CB 3.25Å; N480-S527 WeakPolarHBondContact OD1-CB 3.32Å; S527-R529 PolarHBondContact O-N 3.4Å; S527-R529 VanDerWaalsContact O-N 3.08Å; S527-A530 PolarHBondContact O-N 2.88Å; S527-A530 WeakPolarHBondContact OG-CB 3.49Å; S527-A530 PolarHBondContact OG-N 3.19Å; S527-L531 VanDerWaalsContact O-CB 3.3Å; S527-L531 WeakPolarHBondContact O-CB 3.25Å; S527-L531 PolarHBondContact O-N 2.64Å
528	K	88.2	Confident	90.7	Very high	177 Å²	177	37.5 Å²	37.5	77%	0.77	17%	0.171	S	C	*	.	H	α-helix	trans	-51.9	-36.7	174.3	-69.8	-168.8	176.3	-168.9	0	112.5	R532	K528-R532 WeakPolarHBondContact O-CB 3.47Å; K528-R532 PolarHBondContact O-N 3.45Å
529	R	86.4	Confident	90.5	Very high	180 Å²	180	37.6 Å²	37.6	68%	0.679	17%	0.172	S	C	*	.	H	α-helix	trans	-67	-51.1	176	-178.9	-179.5	176.8	166.7	-1.2	111.6	S527 L531 R532 M533	S527-R529 PolarHBondContact O-N 3.4Å; S527-R529 VanDerWaalsContact O-N 3.08Å; R529-L531 VanDerWaalsContact C-N 3.34Å; R529-R532 PolarHBondContact O-N 2.89Å; R529-M533 WeakPolarHBondContact O-CG 3.23Å; R529-M533 PolarHBondContact O-N 3.17Å; R529-M533 VanDerWaalsContact O-N 3.1Å
530	A	87.4	Confident	89.9	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-38	-179.4	0	0	0	0	0	111.9	V483 L526 S527 M533 L534	V483-A530 HydrophobicContact CG2-CB 4.1Å; L526-A530 HydrophobicContact CB-CB 4.04Å; L526-A530 HydrophobicContact CD2-CB 4.08Å; L526-A530 HydrophobicContact CG-CB 4.48Å; S527-A530 PolarHBondContact O-N 2.88Å; S527-A530 WeakPolarHBondContact OG-CB 3.49Å; S527-A530 PolarHBondContact OG-N 3.19Å; A530-M533 WeakPolarHBondContact O-CB 3.44Å; A530-M533 PolarHBondContact O-N 2.96Å; A530-L534 PolarHBondContact O-N 3.27Å
531	L	91.9	Very high	89.4	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-47.6	174.6	-176.1	65.6	0	0	0	111.7	F522 L526 S527 R529 M533 L534 F535 Q569 V571	F522-L531 HydrophobicContact CB-CD1 4.27Å; L526-L531 HydrophobicContact CB-CB 4.15Å; L526-L531 HydrophobicContact CD1-CD1 4.46Å; S527-L531 VanDerWaalsContact O-CB 3.3Å; S527-L531 WeakPolarHBondContact O-CB 3.25Å; S527-L531 PolarHBondContact O-N 2.64Å; R529-L531 VanDerWaalsContact C-N 3.34Å; L531-M533 VanDerWaalsContact C-N 3.25Å; L531-M533 PolarHBondContact O-N 3.43Å; L531-L534 WeakPolarHBondContact O-CB 3.33Å; L531-L534 PolarHBondContact O-N 3.49Å; L531-L534 VanDerWaalsContact O-N 3.09Å; L531-F535 HydrophobicContact CD1-CD2 4.18Å; L531-F535 HydrophobicContact CD1-CE2 3.72Å; L531-F535 HydrophobicContact CD2-CE2 4.31Å; L531-F535 HydrophobicContact CG-CD2 4.01Å; L531-F535 HydrophobicContact CG-CE2 3.78Å; L531-F535 WeakPolarHBondContact O-CD2 3.29Å; L531-F535 PolarHBondContact O-N 3.19Å; L531-Q569 HydrophobicContact CD2-CB 4.47Å; L531-V571 HydrophobicContact CD2-CG2 3.79Å; L531-V571 HydrophobicContact CG-CG2 4.16Å
532	R	88.6	Confident	89	Confident	101 Å²	101	38.1 Å²	38.1	38%	0.381	17%	0.17	S	C	.	.	H	α-helix	trans	-56.3	-42.1	173.8	-178.1	177.4	169.1	-176.7	-3.3	111.5	K528 R529 F535 M536 V571 T572 F573	K528-R532 WeakPolarHBondContact O-CB 3.47Å; K528-R532 PolarHBondContact O-N 3.45Å; R529-R532 PolarHBondContact O-N 2.89Å; R532-F535 PolarHBondContact O-N 2.91Å; R532-M536 VanDerWaalsContact O-CG 3.26Å; R532-M536 WeakPolarHBondContact O-CG 3.44Å; R532-M536 PolarHBondContact O-N 2.83Å; R532-V571 HydrophobicContact CB-CG1 3.9Å; R532-V571 HydrophobicContact CG-CG1 4Å; R532-T572 WeakPolarHBondContact CD-O 3.41Å; R532-T572 PolarHBondContact NE-O 3.11Å; R532-F573 HydrophobicContact CG-CD1 4.24Å; R532-F573 HydrophobicContact CG-CE1 3.84Å
533	M	86.2	Confident	88.4	Confident	74 Å²	74	39.8 Å²	39.8	37%	0.365	18%	0.18	S	C	.	.	H	α-helix	trans	-67.1	-33.7	177.2	-67.6	-62.4	-63.6	0	0	113.2	V482 R529 A530 L531 Q537	V482-M533 HydrophobicContact CG1-CE 4.41Å; R529-M533 WeakPolarHBondContact O-CG 3.23Å; R529-M533 PolarHBondContact O-N 3.17Å; R529-M533 VanDerWaalsContact O-N 3.1Å; A530-M533 WeakPolarHBondContact O-CB 3.44Å; A530-M533 PolarHBondContact O-N 2.96Å; L531-M533 VanDerWaalsContact C-N 3.25Å; L531-M533 PolarHBondContact O-N 3.43Å; M533-Q537 WeakPolarHBondContact O-CG 3.48Å; M533-Q537 PolarHBondContact O-N 2.93Å; M533-Q537 PolarHBondContact O-NE2 3.46Å
534	L	90	Very high	87.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-50.2	173.4	176.8	64.5	0	0	0	110.5	V483 L485 L490 F522 L526 A530 L531 M536 Q537 V538	V483-L534 HydrophobicContact CG1-CD1 4.44Å; L485-L534 HydrophobicContact CD1-CD1 3.77Å; L490-L534 HydrophobicContact CD2-CD1 4.09Å; F522-L534 HydrophobicContact CB-CD2 4Å; F522-L534 HydrophobicContact CD1-CD2 4.19Å; F522-L534 HydrophobicContact CD2-CD2 4.01Å; F522-L534 HydrophobicContact CG-CD2 3.81Å; L526-L534 HydrophobicContact CD1-CB 4.15Å; L526-L534 HydrophobicContact CD1-CD2 3.77Å; A530-L534 PolarHBondContact O-N 3.27Å; L531-L534 WeakPolarHBondContact O-CB 3.33Å; L531-L534 PolarHBondContact O-N 3.49Å; L531-L534 VanDerWaalsContact O-N 3.09Å; L534-M536 VanDerWaalsContact C-N 3.35Å; L534-M536 PolarHBondContact O-N 3.4Å; L534-Q537 PolarHBondContact O-N 3.13Å; L534-Q537 VanDerWaalsContact O-N 3.1Å; L534-V538 HydrophobicContact CD1-CG2 4.4Å; L534-V538 WeakPolarHBondContact O-CG2 3.4Å; L534-V538 PolarHBondContact O-N 2.93Å
535	F	91.8	Very high	86.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-44.5	177.4	-81.2	-66.3	0	0	0	112.2	F519 L531 R532 Q537 V538 F539 V562 V565 C566 Q569 V571 F573	F519-F535 HydrophobicContact CB-CZ 4.35Å; F519-F535 HydrophobicContact CD1-CD1 4.45Å; F519-F535 AromaticContact CD1-CE1 3.62Å; F519-F535 HydrophobicContact CD1-CE1 3.62Å; F519-F535 AromaticContact CD1-CZ 3.7Å; F519-F535 HydrophobicContact CD1-CZ 3.7Å; F519-F535 HydrophobicContact CE1-CD1 4.26Å; F519-F535 AromaticContact CE1-CE1 3.8Å; F519-F535 HydrophobicContact CE1-CE1 3.8Å; F519-F535 HydrophobicContact CE1-CZ 4.32Å; F519-F535 HydrophobicContact CG-CE1 4.19Å; F519-F535 HydrophobicContact CG-CZ 4.2Å; F519-F535 HydrophobicContact CZ-CE1 4.49Å; L531-F535 HydrophobicContact CD1-CD2 4.18Å; L531-F535 HydrophobicContact CD1-CE2 3.72Å; L531-F535 HydrophobicContact CD2-CE2 4.31Å; L531-F535 HydrophobicContact CG-CD2 4.01Å; L531-F535 HydrophobicContact CG-CE2 3.78Å; L531-F535 WeakPolarHBondContact O-CD2 3.29Å; L531-F535 PolarHBondContact O-N 3.19Å; R532-F535 PolarHBondContact O-N 2.91Å; F535-Q537 VanDerWaalsContact C-N 3.27Å; F535-Q537 PolarHBondContact O-N 3.07Å; F535-V538 PolarHBondContact O-N 3.11Å; F535-V538 VanDerWaalsContact O-N 3.11Å; F535-F539 HydrophobicContact CB-CD2 4.35Å; F535-F539 HydrophobicContact CB-CE2 4.13Å; F535-F539 HydrophobicContact CD1-CE2 4.34Å; F535-F539 WeakPolarHBondContact O-CD2 3.25Å; F535-F539 PolarHBondContact O-N 3.02Å; F535-V562 HydrophobicContact CD1-CG1 4.03Å; F535-V562 HydrophobicContact CE1-CG1 4.19Å; F535-V565 HydrophobicContact CZ-CG1 4.41Å; F535-C566 HydrophobicContact CD1-CB 3.86Å; F535-C566 HydrophobicContact CE1-CB 3.76Å; F535-C566 HydrophobicContact CE2-CB 4.43Å; F535-C566 HydrophobicContact CG-CB 4.26Å; F535-C566 HydrophobicContact CZ-CB 4.06Å; F535-Q569 VanDerWaalsContact CE2-OE1 3.23Å; F535-Q569 VanDerWaalsContact CZ-OE1 3.3Å; F535-V571 HydrophobicContact CD2-CB 4.43Å; F535-V571 HydrophobicContact CD2-CG1 4.24Å; F535-V571 HydrophobicContact CD2-CG2 4.07Å; F535-V571 HydrophobicContact CE2-CG2 4Å; F535-F573 HydrophobicContact CB-CZ 4.12Å
536	M	86.5	Confident	85.9	Confident	42 Å²	42	45.5 Å²	45.5	21%	0.207	21%	0.209	C	C	.	.	H	α-helix	trans	-52.8	-46.2	174.2	-71.9	-68.1	-61.6	0	0	111.7	R532 L534 E540 F573 W578 M579	R532-M536 VanDerWaalsContact O-CG 3.26Å; R532-M536 WeakPolarHBondContact O-CG 3.44Å; R532-M536 PolarHBondContact O-N 2.83Å; L534-M536 VanDerWaalsContact C-N 3.35Å; L534-M536 PolarHBondContact O-N 3.4Å; M536-E540 WeakPolarHBondContact O-CB 3.49Å; M536-E540 PolarHBondContact O-N 3.35Å; M536-F573 HydrophobicContact CG-CD1 4.29Å; M536-F573 HydrophobicContact CG-CE1 3.83Å; M536-F573 HydrophobicContact SD-CD1 3.45Å; M536-F573 WeakPolarHBondContact SD-CD1 3.28Å; M536-F573 HydrophobicContact SD-CE1 3.48Å; M536-F573 WeakPolarHBondContact SD-CE1 3.14Å; M536-W578 HydrophobicContact CE-CZ2 4.01Å; M536-M579 HydrophobicContact CE-SD 4.41Å; M536-M579 HydrophobicContact SD-CB 4.43Å; M536-M579 HydrophobicContact SD-CE 4.26Å; M536-M579 HydrophobicContact SD-CG 4.5Å; M536-M579 HydrophobicContact SD-SD 3.4Å
537	Q	86.9	Confident	85.2	Confident	28 Å²	28	49 Å²	49	13%	0.131	23%	0.227	C	C	.	.	H	α-helix	trans	-69.7	-34.9	179.5	-74.9	171	77	0	0	112.8	V483 L490 M533 L534 F535 A541	V483-Q537 PolarHBondContact O-NE2 3.18Å; L490-Q537 HydrophobicContact CD1-CB 3.61Å; L490-Q537 WeakPolarHBondContact CD1-O 3.21Å; M533-Q537 WeakPolarHBondContact O-CG 3.48Å; M533-Q537 PolarHBondContact O-N 2.93Å; M533-Q537 PolarHBondContact O-NE2 3.46Å; L534-Q537 PolarHBondContact O-N 3.13Å; L534-Q537 VanDerWaalsContact O-N 3.1Å; F535-Q537 VanDerWaalsContact C-N 3.27Å; F535-Q537 PolarHBondContact O-N 3.07Å; Q537-A541 VanDerWaalsContact O-CB 3.24Å; Q537-A541 WeakPolarHBondContact O-CB 3.44Å; Q537-A541 PolarHBondContact O-N 2.95Å
538	V	89.6	Confident	84.7	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-48.8	174.9	173	0	0	0	0	110.3	L490 V494 F519 L534 F535 E540 A541 L542 V562	L490-V538 HydrophobicContact CD2-CG2 4.02Å; V494-V538 HydrophobicContact CG2-CG1 3.99Å; F519-V538 HydrophobicContact CE1-CG2 4.3Å; F519-V538 HydrophobicContact CZ-CG1 4.42Å; F519-V538 HydrophobicContact CZ-CG2 4.27Å; L534-V538 HydrophobicContact CD1-CG2 4.4Å; L534-V538 WeakPolarHBondContact O-CG2 3.4Å; L534-V538 PolarHBondContact O-N 2.93Å; F535-V538 PolarHBondContact O-N 3.11Å; F535-V538 VanDerWaalsContact O-N 3.11Å; V538-E540 VanDerWaalsContact C-N 3.33Å; V538-E540 PolarHBondContact O-N 3.11Å; V538-A541 PolarHBondContact O-N 2.88Å; V538-L542 HydrophobicContact CG1-CD1 4.08Å; V538-L542 HydrophobicContact CG1-CG 4.43Å; V538-L542 WeakPolarHBondContact O-CG 3.47Å; V538-L542 PolarHBondContact O-N 3.27Å; V538-V562 HydrophobicContact CG1-CG1 3.92Å; V538-V562 HydrophobicContact CG1-CG2 4.34Å
539	F	89	Confident	84.6	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-42.1	177.3	-70.9	-58.4	0	0	0	111.9	F535 L542 T543 I559 V562 A563 C566 F573 M579 L583	F535-F539 HydrophobicContact CB-CD2 4.35Å; F535-F539 HydrophobicContact CB-CE2 4.13Å; F535-F539 HydrophobicContact CD1-CE2 4.34Å; F535-F539 WeakPolarHBondContact O-CD2 3.25Å; F535-F539 PolarHBondContact O-N 3.02Å; F539-L542 PolarHBondContact O-N 2.85Å; F539-T543 WeakPolarHBondContact O-CB 3.47Å; F539-T543 PolarHBondContact O-N 2.71Å; F539-T543 PolarHBondContact O-OG1 3.34Å; F539-I559 HydrophobicContact CD1-CG2 4.43Å; F539-I559 HydrophobicContact CE1-CG2 4.47Å; F539-V562 HydrophobicContact CD1-CG1 4.25Å; F539-V562 HydrophobicContact CE1-CB 3.89Å; F539-V562 HydrophobicContact CE1-CG1 3.58Å; F539-V562 HydrophobicContact CE2-CG1 4.35Å; F539-V562 HydrophobicContact CZ-CB 4.29Å; F539-V562 HydrophobicContact CZ-CG1 3.65Å; F539-A563 HydrophobicContact CE1-CB 4.33Å; F539-A563 HydrophobicContact CZ-CB 4.27Å; F539-C566 HydrophobicContact CE2-CB 4.44Å; F539-C566 HydrophobicContact CZ-CB 4.29Å; F539-F573 HydrophobicContact CE2-CZ 4.41Å; F539-M579 HydrophobicContact CB-CG 4.01Å; F539-M579 HydrophobicContact CB-SD 4.03Å; F539-M579 HydrophobicContact CD2-CE 4.13Å; F539-M579 HydrophobicContact CD2-CG 4.16Å; F539-M579 HydrophobicContact CD2-SD 3.3Å; F539-M579 WeakPolarHBondContact CD2-SD 3.39Å; F539-M579 HydrophobicContact CE2-CE 4.28Å; F539-M579 HydrophobicContact CE2-SD 4.01Å; F539-M579 HydrophobicContact CG-CG 4.25Å; F539-M579 HydrophobicContact CG-SD 3.95Å; F539-L583 HydrophobicContact CD1-CD2 3.68Å; F539-L583 HydrophobicContact CE1-CD2 3.57Å; F539-L583 HydrophobicContact CG-CD2 4.43Å; F539-L583 HydrophobicContact CZ-CD1 4.47Å; F539-L583 HydrophobicContact CZ-CD2 4.22Å
540	E	80.8	Confident	84.7	Confident	27 Å²	27	45 Å²	45	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-46.9	173.1	175	171.9	-168.7	0	0	111.6	M358 M536 V538 L542 T543 L544 W578	M358-E540 HydrophobicContact CE-CB 4.46Å; M358-E540 HydrophobicContact CE-CG 3.79Å; M536-E540 WeakPolarHBondContact O-CB 3.49Å; M536-E540 PolarHBondContact O-N 3.35Å; V538-E540 VanDerWaalsContact C-N 3.33Å; V538-E540 PolarHBondContact O-N 3.11Å; E540-L542 VanDerWaalsContact C-N 3.35Å; E540-L542 PolarHBondContact O-N 2.93Å; E540-T543 WeakPolarHBondContact CA-OG1 3.08Å; E540-T543 PolarHBondContact O-OG1 3.06Å; E540-L544 HydrophobicContact CG-CD1 3.73Å; E540-L544 HydrophobicContact CG-CG 4.44Å; E540-L544 VanDerWaalsContact O-CB 3.27Å; E540-L544 WeakPolarHBondContact O-CB 3.2Å; E540-L544 VanDerWaalsContact O-CG 3.26Å; E540-L544 WeakPolarHBondContact O-CG 3.48Å; E540-L544 PolarHBondContact O-N 3.31Å; E540-W578 HydrophobicContact CB-CH2 3.75Å; E540-W578 HydrophobicContact CB-CZ2 4.18Å
541	A	82.1	Confident	84.6	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-40	179.5	0	0	0	0	0	112.2	L490 V491 Q537 V538 S545	L490-A541 HydrophobicContact CB-CB 3.79Å; L490-A541 HydrophobicContact CD1-CB 4.18Å; V491-A541 HydrophobicContact CG2-CB 4.19Å; Q537-A541 VanDerWaalsContact O-CB 3.24Å; Q537-A541 WeakPolarHBondContact O-CB 3.44Å; Q537-A541 PolarHBondContact O-N 2.95Å; V538-A541 PolarHBondContact O-N 2.88Å; A541-S545 WeakPolarHBondContact O-CB 3.45Å; A541-S545 PolarHBondContact O-N 3.41Å
542	L	86.8	Confident	84.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-51.5	176.6	-70.1	177.5	0	0	0	111.4	V494 V538 F539 E540 L544 S545 F550 K555 V558 I559 V562	V494-L542 HydrophobicContact CB-CD2 4.31Å; V494-L542 HydrophobicContact CG1-CD2 4.05Å; V494-L542 HydrophobicContact CG2-CD2 4.36Å; V538-L542 HydrophobicContact CG1-CD1 4.08Å; V538-L542 HydrophobicContact CG1-CG 4.43Å; V538-L542 WeakPolarHBondContact O-CG 3.47Å; V538-L542 PolarHBondContact O-N 3.27Å; F539-L542 PolarHBondContact O-N 2.85Å; E540-L542 VanDerWaalsContact C-N 3.35Å; E540-L542 PolarHBondContact O-N 2.93Å; L542-L544 VanDerWaalsContact C-N 3.29Å; L542-L544 PolarHBondContact O-N 2.84Å; L542-S545 VanDerWaalsContact O-CB 3.24Å; L542-S545 WeakPolarHBondContact O-CB 3.48Å; L542-S545 PolarHBondContact O-N 2.99Å; L542-F550 HydrophobicContact CD2-CE1 4.03Å; L542-F550 HydrophobicContact CD2-CE2 3.99Å; L542-F550 HydrophobicContact CD2-CZ 3.44Å; L542-F550 VanDerWaalsContact CD2-CZ 3.44Å; L542-K555 WeakPolarHBondContact O-CE 3.26Å; L542-K555 PolarHBondContact O-NZ 3.49Å; L542-V558 HydrophobicContact CD1-CG1 4.24Å; L542-V558 HydrophobicContact CD2-CG1 4.3Å; L542-I559 HydrophobicContact CB-CD1 4.42Å; L542-I559 HydrophobicContact CB-CG1 3.99Å; L542-I559 HydrophobicContact CD1-CG1 4.05Å; L542-V562 HydrophobicContact CD1-CG2 4.01Å
543	T	81	Confident	84	Confident	36 Å²	36	48.7 Å²	48.7	22%	0.221	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-40.1	179.1	37.4	0	0	0	0	112.1	F539 E540 K555 I559 K582	F539-T543 WeakPolarHBondContact O-CB 3.47Å; F539-T543 PolarHBondContact O-N 2.71Å; F539-T543 PolarHBondContact O-OG1 3.34Å; E540-T543 WeakPolarHBondContact CA-OG1 3.08Å; E540-T543 PolarHBondContact O-OG1 3.06Å; T543-K555 PolarHBondContact O-NZ 3.21Å; T543-I559 HydrophobicContact CG2-CD1 4.46Å; T543-K582 HydrophobicContact CG2-CB 3.94Å; T543-K582 HydrophobicContact CG2-CD 4.47Å; T543-K582 HydrophobicContact CG2-CG 4.34Å
544	L	71.6	Confident	84.1	Confident	78 Å²	78	49 Å²	49	41%	0.408	26%	0.258	S	S	.	.	H	α-helix	trans	-81.1	-9.1	176.4	-63.5	177.6	0	0	0	114.5	M358 E540 L542	M358-L544 HydrophobicContact CE-CD1 4.01Å; M358-L544 HydrophobicContact CE-CD2 4.17Å; M358-L544 HydrophobicContact CE-CG 4.07Å; E540-L544 HydrophobicContact CG-CD1 3.73Å; E540-L544 HydrophobicContact CG-CG 4.44Å; E540-L544 VanDerWaalsContact O-CB 3.27Å; E540-L544 WeakPolarHBondContact O-CB 3.2Å; E540-L544 VanDerWaalsContact O-CG 3.26Å; E540-L544 WeakPolarHBondContact O-CG 3.48Å; E540-L544 PolarHBondContact O-N 3.31Å; L542-L544 VanDerWaalsContact C-N 3.29Å; L542-L544 PolarHBondContact O-N 2.84Å
545	S	77.7	Confident	84	Confident	17 Å²	17	50.7 Å²	50.7	12%	0.119	27%	0.266	C	S	.	.			trans	-65.7	136.3	178.5	-178.4	0	0	0	0	111.2	A541 L542 L547 K555	A541-S545 WeakPolarHBondContact O-CB 3.45Å; A541-S545 PolarHBondContact O-N 3.41Å; L542-S545 VanDerWaalsContact O-CB 3.24Å; L542-S545 WeakPolarHBondContact O-CB 3.48Å; L542-S545 PolarHBondContact O-N 2.99Å; S545-L547 PolarHBondContact O-N 3.34Å; S545-L547 WeakPolarHBondContact OG-CB 3.42Å; S545-L547 PolarHBondContact OG-N 2.96Å; S545-K555 PolarHBondContact O-NZ 3.42Å
546	H	76.3	Confident	83.9	Confident	155 Å²	155	54 Å²	54	72%	0.718	28%	0.284	S	S	*	.			trans	-78.9	-6.1	173	-59.9	-59.5	0	0	0	113.2	R548	H546-R548 PolarHBondContact O-N 3.47Å
547	L	78.4	Confident	84	Confident	78 Å²	78	53 Å²	53	41%	0.408	28%	0.282	S	S	.	.			trans	-71.1	126.9	178.1	-63.1	174.5	0	0	0	109.8	V491 S545 F550 K555	V491-L547 HydrophobicContact CG1-CD1 3.85Å; S545-L547 PolarHBondContact O-N 3.34Å; S545-L547 WeakPolarHBondContact OG-CB 3.42Å; S545-L547 PolarHBondContact OG-N 2.96Å; L547-F550 HydrophobicContact CB-CE2 4.23Å; L547-F550 HydrophobicContact CB-CZ 4.29Å; L547-F550 HydrophobicContact CD1-CD1 4.21Å; L547-F550 HydrophobicContact CD1-CE1 3.79Å; L547-F550 HydrophobicContact CD1-CZ 4Å; L547-K555 WeakPolarHBondContact O-CD 3.43Å
548	R	81.7	Confident	84.2	Confident	231 Å²	231	51.7 Å²	51.7	87%	0.872	28%	0.276	S	S	*	.	S	Bend	trans	-76.9	-30.2	172.4	-67.8	-174.9	178	-178.2	-2	111.8	H546 K555	H546-R548 PolarHBondContact O-N 3.47Å; R548-K555 WeakPolarHBondContact O-CB 3.47Å; R548-K555 PolarHBondContact O-N 3.31Å
549	S	86.7	Confident	84.2	Confident	57 Å²	57	51.8 Å²	51.8	40%	0.399	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	160.2	178.7	57.9	0	0	0	0	111.5	I553	S549-I553 CarbonylContact C-O 3.59Å; S549-I553 WeakPolarHBondContact CA-O 3.37Å; S549-I553 WeakPolarHBondContact CB-O 3.43Å
550	F	87.1	Confident	84.3	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.6	175.6	-67.5	-105.4	0	0	0	107.5	V491 V494 T495 I498 L542 L547 G552 I553 K555 V558	V491-F550 HydrophobicContact CG1-CE1 4Å; V491-F550 HydrophobicContact CG1-CZ 4.48Å; V494-F550 HydrophobicContact CG1-CE1 4.5Å; T495-F550 WeakPolarHBondContact OG1-CD1 3.49Å; I498-F550 HydrophobicContact CG2-CB 4.26Å; L542-F550 HydrophobicContact CD2-CE1 4.03Å; L542-F550 HydrophobicContact CD2-CE2 3.99Å; L542-F550 HydrophobicContact CD2-CZ 3.44Å; L542-F550 VanDerWaalsContact CD2-CZ 3.44Å; L547-F550 HydrophobicContact CB-CE2 4.23Å; L547-F550 HydrophobicContact CB-CZ 4.29Å; L547-F550 HydrophobicContact CD1-CD1 4.21Å; L547-F550 HydrophobicContact CD1-CE1 3.79Å; L547-F550 HydrophobicContact CD1-CZ 4Å; F550-G552 PolarHBondContact O-N 3.33Å; F550-G552 VanDerWaalsContact O-N 3.13Å; F550-I553 PolarHBondContact N-O 2.91Å; F550-I553 WeakPolarHBondContact O-CB 3.08Å; F550-I553 PolarHBondContact O-N 2.85Å; F550-K555 HydrophobicContact CE2-CB 4.26Å; F550-K555 HydrophobicContact CE2-CG 4.33Å; F550-V558 HydrophobicContact CB-CG2 4.01Å; F550-V558 HydrophobicContact CD2-CB 4.34Å; F550-V558 HydrophobicContact CD2-CG1 4.48Å; F550-V558 HydrophobicContact CD2-CG2 3.84Å; F550-V558 HydrophobicContact CG-CG2 4.13Å
551	H	84.9	Confident	84.8	Confident	111 Å²	111	52 Å²	52	51%	0.514	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	43.3	-173.8	-68.7	-84.9	0	0	0	113.6	T495 I498 S499 I553	T495-H551 WeakPolarHBondContact CG2-NE2 3.19Å; T495-H551 PolarHBondContact O-CD2 3.47Å; I498-H551 HydrophobicContact CG2-CB 4.14Å; S499-H551 WeakPolarHBondContact CB-NE2 3.3Å; H551-I553 VanDerWaalsContact C-N 3.31Å; H551-I553 PolarHBondContact O-N 3.43Å
552	G	81.5	Confident	85.3	Confident	64 Å²	64	52 Å²	52	66%	0.66	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-18.8	179.8	0	0	0	0	0	115.1	F550	F550-G552 PolarHBondContact O-N 3.33Å; F550-G552 VanDerWaalsContact O-N 3.13Å
553	I	86.6	Confident	85.5	Confident	15 Å²	15	51.9 Å²	51.9	8%	0.077	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127	178.5	-65	155.5	0	0	0	109.9	I498 I506 S549 F550 H551 A557 V558	I498-I553 HydrophobicContact CD1-CD1 4.48Å; I498-I553 HydrophobicContact CG2-CD1 3.56Å; I506-I553 HydrophobicContact CB-CD1 4.28Å; I506-I553 HydrophobicContact CD1-CD1 3.53Å; I506-I553 HydrophobicContact CG1-CD1 4.48Å; I506-I553 HydrophobicContact CG2-CD1 3.8Å; I506-I553 HydrophobicContact CG2-CG1 4.14Å; I506-I553 HydrophobicContact CG2-CG2 4.28Å; S549-I553 CarbonylContact C-O 3.59Å; S549-I553 WeakPolarHBondContact CA-O 3.37Å; S549-I553 WeakPolarHBondContact CB-O 3.43Å; F550-I553 PolarHBondContact N-O 2.91Å; F550-I553 WeakPolarHBondContact O-CB 3.08Å; F550-I553 PolarHBondContact O-N 2.85Å; H551-I553 VanDerWaalsContact C-N 3.31Å; H551-I553 PolarHBondContact O-N 3.43Å; I553-A557 HydrophobicContact CG2-CB 3.81Å; I553-V558 HydrophobicContact CB-CG2 4.3Å; I553-V558 HydrophobicContact CG2-CG2 3.75Å
554	P	89	Confident	86	Confident	79 Å²	79	51.8 Å²	51.8	51%	0.513	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	142.3	178.7	-25.1	34	0	0	0	112.5	N556 A557 V558	P554-N556 PolarHBondContact O-N 2.94Å; P554-N556 VanDerWaalsContact O-N 3.16Å; P554-A557 HydrophobicContact CB-CB 4.49Å; P554-A557 WeakPolarHBondContact O-CB 3.38Å; P554-A557 PolarHBondContact O-N 2.9Å; P554-V558 PolarHBondContact O-N 2.88Å; P554-V558 VanDerWaalsContact O-N 3.11Å
555	K	88.9	Confident	87	Confident	37 Å²	37	48.2 Å²	48.2	16%	0.161	26%	0.256	C	S	.	.	H	α-helix	trans	-52.6	-39.2	179.7	168.8	173.8	155.9	173.3	0	113.4	L542 T543 S545 L547 R548 F550 V558 I559	L542-K555 WeakPolarHBondContact O-CE 3.26Å; L542-K555 PolarHBondContact O-NZ 3.49Å; T543-K555 PolarHBondContact O-NZ 3.21Å; S545-K555 PolarHBondContact O-NZ 3.42Å; L547-K555 WeakPolarHBondContact O-CD 3.43Å; R548-K555 WeakPolarHBondContact O-CB 3.47Å; R548-K555 PolarHBondContact O-N 3.31Å; F550-K555 HydrophobicContact CE2-CB 4.26Å; F550-K555 HydrophobicContact CE2-CG 4.33Å; K555-V558 WeakPolarHBondContact O-CB 3.41Å; K555-V558 PolarHBondContact O-N 3.39Å; K555-I559 HydrophobicContact CG-CD1 4.01Å; K555-I559 WeakPolarHBondContact O-CG1 3.24Å; K555-I559 PolarHBondContact O-N 3.29Å
556	N	88.2	Confident	87.6	Confident	69 Å²	69	47.4 Å²	47.4	37%	0.369	25%	0.25	S	S	.	.	H	α-helix	trans	-66.5	-39.2	179	-70.3	6.2	0	0	0	112	P554 V558 I559 Q560 A586	P554-N556 PolarHBondContact O-N 2.94Å; P554-N556 VanDerWaalsContact O-N 3.16Å; N556-V558 VanDerWaalsContact C-N 3.33Å; N556-V558 PolarHBondContact O-N 2.68Å; N556-I559 WeakPolarHBondContact O-CB 3.38Å; N556-I559 PolarHBondContact O-N 3.4Å; N556-Q560 WeakPolarHBondContact O-CG 3.27Å; N556-Q560 PolarHBondContact O-N 3.45Å; N556-A586 HydrophobicContact CB-CB 4.45Å
557	A	88.3	Confident	88.2	Confident	21 Å²	21	40.2 Å²	40.2	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-40.3	173.2	0	0	0	0	0	111.4	I553 P554 I559 Q560 L561	I553-A557 HydrophobicContact CG2-CB 3.81Å; P554-A557 HydrophobicContact CB-CB 4.49Å; P554-A557 WeakPolarHBondContact O-CB 3.38Å; P554-A557 PolarHBondContact O-N 2.9Å; A557-I559 VanDerWaalsContact C-N 3.33Å; A557-I559 PolarHBondContact O-N 3.36Å; A557-Q560 WeakPolarHBondContact O-CB 3.48Å; A557-Q560 PolarHBondContact O-N 2.76Å; A557-L561 WeakPolarHBondContact O-CG 3.18Å; A557-L561 PolarHBondContact O-N 2.9Å
558	V	91.1	Very high	88.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-40.9	173.3	-178.5	0	0	0	0	111.8	V494 I498 L542 F550 I553 P554 K555 N556 Q560 L561 V562	V494-V558 HydrophobicContact CG1-CG1 3.4Å; I498-V558 HydrophobicContact CD1-CG1 4.48Å; I498-V558 HydrophobicContact CD1-CG2 4.34Å; I498-V558 HydrophobicContact CG1-CG1 4.42Å; I498-V558 HydrophobicContact CG1-CG2 4.44Å; L542-V558 HydrophobicContact CD1-CG1 4.24Å; L542-V558 HydrophobicContact CD2-CG1 4.3Å; F550-V558 HydrophobicContact CB-CG2 4.01Å; F550-V558 HydrophobicContact CD2-CB 4.34Å; F550-V558 HydrophobicContact CD2-CG1 4.48Å; F550-V558 HydrophobicContact CD2-CG2 3.84Å; F550-V558 HydrophobicContact CG-CG2 4.13Å; I553-V558 HydrophobicContact CB-CG2 4.3Å; I553-V558 HydrophobicContact CG2-CG2 3.75Å; P554-V558 PolarHBondContact O-N 2.88Å; P554-V558 VanDerWaalsContact O-N 3.11Å; K555-V558 WeakPolarHBondContact O-CB 3.41Å; K555-V558 PolarHBondContact O-N 3.39Å; N556-V558 VanDerWaalsContact C-N 3.33Å; N556-V558 PolarHBondContact O-N 2.68Å; V558-Q560 VanDerWaalsContact C-N 3.32Å; V558-Q560 PolarHBondContact O-N 2.75Å; V558-L561 PolarHBondContact O-N 2.73Å; V558-V562 WeakPolarHBondContact O-CG2 3.32Å; V558-V562 PolarHBondContact O-N 3.28Å; V558-V562 VanDerWaalsContact O-N 3.1Å
559	I	90.9	Very high	89.1	Confident	4 Å²	4	34 Å²	34	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-40.8	175.5	-69.9	167.6	0	0	0	110.7	F539 L542 T543 K555 N556 A557 V562 A563 L583 A586 V588	F539-I559 HydrophobicContact CD1-CG2 4.43Å; F539-I559 HydrophobicContact CE1-CG2 4.47Å; L542-I559 HydrophobicContact CB-CD1 4.42Å; L542-I559 HydrophobicContact CB-CG1 3.99Å; L542-I559 HydrophobicContact CD1-CG1 4.05Å; T543-I559 HydrophobicContact CG2-CD1 4.46Å; K555-I559 HydrophobicContact CG-CD1 4.01Å; K555-I559 WeakPolarHBondContact O-CG1 3.24Å; K555-I559 PolarHBondContact O-N 3.29Å; N556-I559 WeakPolarHBondContact O-CB 3.38Å; N556-I559 PolarHBondContact O-N 3.4Å; A557-I559 VanDerWaalsContact C-N 3.33Å; A557-I559 PolarHBondContact O-N 3.36Å; I559-V562 PolarHBondContact O-N 2.68Å; I559-A563 WeakPolarHBondContact O-CB 3.43Å; I559-A563 PolarHBondContact O-N 3.37Å; I559-L583 HydrophobicContact CG2-CD2 3.43Å; I559-L583 VanDerWaalsContact CG2-CD2 3.43Å; I559-A586 HydrophobicContact CB-CB 4.29Å; I559-A586 HydrophobicContact CD1-CB 4.18Å; I559-A586 HydrophobicContact CG2-CB 3.81Å; I559-V588 HydrophobicContact CG2-CG2 4.32Å
560	Q	90	Very high	89	Confident	32 Å²	32	37.6 Å²	37.6	15%	0.15	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-44.4	174.7	-71.8	176.8	-10.3	0	0	112.4	N510 N556 A557 V558 V562 A563 D564 D587 V588	N510-Q560 PolarHBondContact ND2-OE1 3.3Å; N556-Q560 WeakPolarHBondContact O-CG 3.27Å; N556-Q560 PolarHBondContact O-N 3.45Å; A557-Q560 WeakPolarHBondContact O-CB 3.48Å; A557-Q560 PolarHBondContact O-N 2.76Å; V558-Q560 VanDerWaalsContact C-N 3.32Å; V558-Q560 PolarHBondContact O-N 2.75Å; Q560-V562 VanDerWaalsContact C-N 3.34Å; Q560-V562 PolarHBondContact O-N 2.76Å; Q560-A563 WeakPolarHBondContact O-CB 3.46Å; Q560-A563 PolarHBondContact O-N 3.39Å; Q560-A563 VanDerWaalsContact O-N 3.13Å; Q560-D564 PolarHBondContact O-N 2.8Å; Q560-D587 PolarHBondContact NE2-O 3.02Å; Q560-V588 HydrophobicContact CG-CG2 3.94Å
561	L	92	Very high	89	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-45.6	176.2	-68.9	172.7	0	0	0	111.5	I498 I506 N510 M515 A557 V558 A563 D564 V565	I498-L561 HydrophobicContact CD1-CD1 3.91Å; I506-L561 HydrophobicContact CD1-CD1 4.17Å; I506-L561 HydrophobicContact CG1-CD1 4.23Å; I506-L561 HydrophobicContact CG2-CD1 4.03Å; N510-L561 VanDerWaalsContact O-CD2 3.28Å; N510-L561 WeakPolarHBondContact O-CD2 3.41Å; M515-L561 HydrophobicContact CE-CB 3.85Å; M515-L561 HydrophobicContact CE-CD1 4.21Å; M515-L561 HydrophobicContact SD-CB 3.66Å; A557-L561 WeakPolarHBondContact O-CG 3.18Å; A557-L561 PolarHBondContact O-N 2.9Å; V558-L561 PolarHBondContact O-N 2.73Å; L561-A563 VanDerWaalsContact C-N 3.31Å; L561-A563 PolarHBondContact O-N 3.45Å; L561-D564 PolarHBondContact O-N 3.06Å; L561-V565 WeakPolarHBondContact O-CG2 3.44Å; L561-V565 PolarHBondContact O-N 3.49Å
562	V	92.8	Very high	89	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-36.7	177	179	0	0	0	0	111.1	M515 F535 V538 F539 L542 V558 I559 Q560 C566	M515-V562 HydrophobicContact CE-CG2 4.23Å; M515-V562 HydrophobicContact SD-CB 4.39Å; M515-V562 HydrophobicContact SD-CG2 3.66Å; F535-V562 HydrophobicContact CD1-CG1 4.03Å; F535-V562 HydrophobicContact CE1-CG1 4.19Å; V538-V562 HydrophobicContact CG1-CG1 3.92Å; V538-V562 HydrophobicContact CG1-CG2 4.34Å; F539-V562 HydrophobicContact CD1-CG1 4.25Å; F539-V562 HydrophobicContact CE1-CB 3.89Å; F539-V562 HydrophobicContact CE1-CG1 3.58Å; F539-V562 HydrophobicContact CE2-CG1 4.35Å; F539-V562 HydrophobicContact CZ-CB 4.29Å; F539-V562 HydrophobicContact CZ-CG1 3.65Å; L542-V562 HydrophobicContact CD1-CG2 4.01Å; V558-V562 WeakPolarHBondContact O-CG2 3.32Å; V558-V562 PolarHBondContact O-N 3.28Å; V558-V562 VanDerWaalsContact O-N 3.1Å; I559-V562 PolarHBondContact O-N 2.68Å; Q560-V562 VanDerWaalsContact C-N 3.34Å; Q560-V562 PolarHBondContact O-N 2.76Å; V562-C566 WeakPolarHBondContact O-CB 3.49Å; V562-C566 PolarHBondContact O-N 3.11Å
563	A	91.3	Very high	89	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-39.8	176.3	0	0	0	0	0	112.9	F539 I559 Q560 L561 C566 A567 L583 V588 I592 L596	F539-A563 HydrophobicContact CE1-CB 4.33Å; F539-A563 HydrophobicContact CZ-CB 4.27Å; I559-A563 WeakPolarHBondContact O-CB 3.43Å; I559-A563 PolarHBondContact O-N 3.37Å; Q560-A563 WeakPolarHBondContact O-CB 3.46Å; Q560-A563 PolarHBondContact O-N 3.39Å; Q560-A563 VanDerWaalsContact O-N 3.13Å; L561-A563 VanDerWaalsContact C-N 3.31Å; L561-A563 PolarHBondContact O-N 3.45Å; A563-C566 PolarHBondContact O-N 3.35Å; A563-A567 WeakPolarHBondContact O-CB 3.44Å; A563-A567 PolarHBondContact O-N 3.06Å; A563-L583 HydrophobicContact CB-CD2 4.43Å; A563-V588 HydrophobicContact CB-CG1 3.88Å; A563-V588 HydrophobicContact CB-CG2 4.17Å; A563-I592 HydrophobicContact CB-CG2 4.06Å; A563-L596 HydrophobicContact CB-CD1 4.08Å
564	D	90.5	Very high	88.1	Confident	34 Å²	34	34.3 Å²	34.3	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-49.4	175.1	-178.2	60.5	0	0	0	111.5	H516 Q560 L561 C566 A567 H568 I592	H516-D564 IonicContact CE1-OD2 2.74Å; H516-D564 IonicContact NE2-OD2 2.7Å; H516-D564 PolarHBondContact NE2-OD2 3.07Å; Q560-D564 PolarHBondContact O-N 2.8Å; L561-D564 PolarHBondContact O-N 3.06Å; D564-C566 VanDerWaalsContact C-N 3.34Å; D564-C566 PolarHBondContact O-N 2.94Å; D564-A567 PolarHBondContact O-N 3.31Å; D564-H568 PolarHBondContact O-N 3.1Å; D564-I592 HydrophobicContact CB-CD1 4.14Å
565	V	92.1	Very high	86.4	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-42.5	178	177.3	0	0	0	0	111.4	M515 F519 F535 L561 A567 H568 Q569	M515-V565 HydrophobicContact CB-CG2 4.24Å; M515-V565 HydrophobicContact CG-CG2 3.93Å; M515-V565 HydrophobicContact SD-CG2 4.22Å; F519-V565 HydrophobicContact CB-CG1 3.47Å; F519-V565 VanDerWaalsContact CB-CG1 3.47Å; F519-V565 HydrophobicContact CD2-CG1 4.2Å; F519-V565 HydrophobicContact CG-CG1 4.01Å; F535-V565 HydrophobicContact CZ-CG1 4.41Å; L561-V565 WeakPolarHBondContact O-CG2 3.44Å; L561-V565 PolarHBondContact O-N 3.49Å; V565-A567 VanDerWaalsContact C-N 3.32Å; V565-A567 PolarHBondContact O-N 3.25Å; V565-H568 PolarHBondContact O-N 3.22Å; V565-Q569 WeakPolarHBondContact O-CG 3.47Å; V565-Q569 PolarHBondContact O-N 3.37Å; V565-Q569 VanDerWaalsContact O-N 3.13Å
566	C	92.1	Very high	84.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-42.1	175.9	-170	0	0	0	0	111.8	F535 F539 V562 A563 D564 Q569 V571 F573 L596	F535-C566 HydrophobicContact CD1-CB 3.86Å; F535-C566 HydrophobicContact CE1-CB 3.76Å; F535-C566 HydrophobicContact CE2-CB 4.43Å; F535-C566 HydrophobicContact CG-CB 4.26Å; F535-C566 HydrophobicContact CZ-CB 4.06Å; F539-C566 HydrophobicContact CE2-CB 4.44Å; F539-C566 HydrophobicContact CZ-CB 4.29Å; V562-C566 WeakPolarHBondContact O-CB 3.49Å; V562-C566 PolarHBondContact O-N 3.11Å; A563-C566 PolarHBondContact O-N 3.35Å; D564-C566 VanDerWaalsContact C-N 3.34Å; D564-C566 PolarHBondContact O-N 2.94Å; C566-Q569 PolarHBondContact O-N 3Å; C566-V571 PolarHBondContact O-N 3.03Å; C566-F573 WeakPolarHBondContact SG-CE2 3.27Å; C566-L596 HydrophobicContact CB-CD2 3.97Å
567	A	88.3	Confident	83.2	Confident	5 Å²	5	35.2 Å²	35.2	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-69.3	-34.1	176.3	0	0	0	0	0	112.6	A563 D564 V565 Q569 D570 I592 K595 L596	A563-A567 WeakPolarHBondContact O-CB 3.44Å; A563-A567 PolarHBondContact O-N 3.06Å; D564-A567 PolarHBondContact O-N 3.31Å; V565-A567 VanDerWaalsContact C-N 3.32Å; V565-A567 PolarHBondContact O-N 3.25Å; A567-Q569 PolarHBondContact O-N 2.87Å; A567-D570 PolarHBondContact O-N 3.29Å; A567-I592 HydrophobicContact CB-CG2 3.98Å; A567-K595 HydrophobicContact CB-CB 3.95Å; A567-K595 HydrophobicContact CB-CD 4.16Å; A567-L596 HydrophobicContact CB-CD2 3.86Å; A567-L596 HydrophobicContact CB-CG 4.25Å
568	H	88.8	Confident	82.2	Confident	134 Å²	134	34.9 Å²	34.9	62%	0.62	20%	0.204	S	C	*	.	H	α-helix	trans	-68.6	-22.9	175.1	-165.3	-60.8	0	0	0	112.7	H516 D564 V565 D570	H516-H568 AromaticContact CE1-CD2 3.98Å; H516-H568 AromaticContact CE1-CG 3.99Å; D564-H568 PolarHBondContact O-N 3.1Å; V565-H568 PolarHBondContact O-N 3.22Å; H568-D570 VanDerWaalsContact C-N 3.35Å
569	Q	89.4	Confident	81.4	Confident	45 Å²	45	35.1 Å²	35.1	21%	0.21	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	11.5	176.7	-66.1	-167.7	-30.8	0	0	113.8	F519 L531 F535 V565 C566 A567 V571	F519-Q569 PolarHBondContact O-NE2 3.41Å; L531-Q569 HydrophobicContact CD2-CB 4.47Å; F535-Q569 VanDerWaalsContact CE2-OE1 3.23Å; F535-Q569 VanDerWaalsContact CZ-OE1 3.3Å; V565-Q569 WeakPolarHBondContact O-CG 3.47Å; V565-Q569 PolarHBondContact O-N 3.37Å; V565-Q569 VanDerWaalsContact O-N 3.13Å; C566-Q569 PolarHBondContact O-N 3Å; A567-Q569 PolarHBondContact O-N 2.87Å; Q569-V571 HydrophobicContact CB-CG2 4.07Å; Q569-V571 PolarHBondContact O-N 2.9Å
570	D	85.7	Confident	80.7	Confident	132 Å²	132	35.4 Å²	35.4	71%	0.706	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.8	-178.4	-61.3	-42.5	0	0	0	113.6	A567 H568	A567-D570 PolarHBondContact O-N 3.29Å; H568-D570 VanDerWaalsContact C-N 3.35Å
571	V	86.4	Confident	79.9	Confident	9 Å²	9	35.9 Å²	35.9	6%	0.055	21%	0.214	C	C	.	.			trans	-87.2	115.9	177.4	-179.1	0	0	0	0	109.4	L531 R532 F535 C566 Q569 F573	L531-V571 HydrophobicContact CD2-CG2 3.79Å; L531-V571 HydrophobicContact CG-CG2 4.16Å; R532-V571 HydrophobicContact CB-CG1 3.9Å; R532-V571 HydrophobicContact CG-CG1 4Å; F535-V571 HydrophobicContact CD2-CB 4.43Å; F535-V571 HydrophobicContact CD2-CG1 4.24Å; F535-V571 HydrophobicContact CD2-CG2 4.07Å; F535-V571 HydrophobicContact CE2-CG2 4Å; C566-V571 PolarHBondContact O-N 3.03Å; Q569-V571 HydrophobicContact CB-CG2 4.07Å; Q569-V571 PolarHBondContact O-N 2.9Å; V571-F573 HydrophobicContact CG1-CE1 4.31Å; V571-F573 HydrophobicContact CG1-CE2 3.96Å; V571-F573 HydrophobicContact CG1-CZ 3.66Å
572	T	84.3	Confident	79	Confident	58 Å²	58	39.8 Å²	39.8	36%	0.356	23%	0.23	S	C	.	.			trans	-109.4	152	-178.9	58	0	0	0	0	112.7	R532 L596	R532-T572 WeakPolarHBondContact CD-O 3.41Å; R532-T572 PolarHBondContact NE-O 3.11Å; T572-L596 CarbonylContact C-O 3.6Å; T572-L596 WeakPolarHBondContact CA-O 3.46Å
573	F	81.4	Confident	78.5	Confident	6 Å²	6	40 Å²	40	3%	0.026	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-121.7	152.1	179.9	-55	-88.2	0	0	0	110.3	R532 F535 M536 F539 C566 V571 M579 L596 S598	R532-F573 HydrophobicContact CG-CD1 4.24Å; R532-F573 HydrophobicContact CG-CE1 3.84Å; F535-F573 HydrophobicContact CB-CZ 4.12Å; M536-F573 HydrophobicContact CG-CD1 4.29Å; M536-F573 HydrophobicContact CG-CE1 3.83Å; M536-F573 HydrophobicContact SD-CD1 3.45Å; M536-F573 WeakPolarHBondContact SD-CD1 3.28Å; M536-F573 HydrophobicContact SD-CE1 3.48Å; M536-F573 WeakPolarHBondContact SD-CE1 3.14Å; F539-F573 HydrophobicContact CE2-CZ 4.41Å; C566-F573 WeakPolarHBondContact SG-CE2 3.27Å; V571-F573 HydrophobicContact CG1-CE1 4.31Å; V571-F573 HydrophobicContact CG1-CE2 3.96Å; V571-F573 HydrophobicContact CG1-CZ 3.66Å; F573-M579 HydrophobicContact CB-CE 3.97Å; F573-M579 HydrophobicContact CD1-CE 3.27Å; F573-M579 HydrophobicContact CD1-SD 3.97Å; F573-M579 HydrophobicContact CD2-CE 3.23Å; F573-M579 HydrophobicContact CE1-CE 3.42Å; F573-M579 VanDerWaalsContact CE1-CE 3.42Å; F573-M579 HydrophobicContact CE1-SD 3.77Å; F573-M579 HydrophobicContact CE2-CE 3.4Å; F573-M579 VanDerWaalsContact CE2-CE 3.4Å; F573-M579 HydrophobicContact CG-CE 3.17Å; F573-M579 HydrophobicContact CG-SD 4.43Å; F573-M579 HydrophobicContact CZ-CE 3.48Å; F573-M579 VanDerWaalsContact CZ-CE 3.48Å; F573-M579 HydrophobicContact CZ-SD 4.08Å; F573-L596 HydrophobicContact CD2-CB 4.3Å; F573-L596 HydrophobicContact CE2-CD2 4.12Å; F573-L596 PolarHBondContact N-O 2.88Å; F573-S598 WeakPolarHBondContact O-CB 3.35Å; F573-S598 PolarHBondContact O-N 2.92Å; F573-S598 PolarHBondContact O-OG 3.26Å
574	A	68.2	Low	78.1	Confident	50 Å²	50	48 Å²	48	41%	0.413	26%	0.262	S	S	.	.			trans	-64.8	137.2	178.6	0	0	0	0	0	109.9	G577 S598	A574-G577 PolarHBondContact O-N 3.44Å; A574-S598 WeakPolarHBondContact CA-OG 3.35Å
575	H	52.9	Low	77.4	Confident	120 Å²	120	50.7 Å²	50.7	56%	0.556	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	137.7	175.4	-142.2	44.6	0	0	0	109.8	S597	H575-S597 PolarHBondContact CE1-OG 2.95Å; H575-S597 PolarHBondContact ND1-OG 2.72Å
576	G	49.6	Very low	76.8	Confident	56 Å²	56	50.8 Å²	50.8	58%	0.577	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	5.3	-174	0	0	0	0	0	115.9
577	G	60.6	Low	76.2	Confident	28 Å²	28	56.5 Å²	56.5	29%	0.289	31%	0.308	S	S	.	.			trans	-70.7	138	170.2	0	0	0	0	0	112.1	A574 M579 L580 S581	A574-G577 PolarHBondContact O-N 3.44Å; G577-M579 PolarHBondContact O-N 2.96Å; G577-L580 PolarHBondContact O-N 3.42Å; G577-S581 PolarHBondContact O-N 3.01Å
578	W	68.6	Low	76	Confident	15 Å²	15	56.7 Å²	56.7	6%	0.057	31%	0.308	C	S	.	.	H	α-helix	trans	-43.4	-32.3	175.8	72.2	-86.4	0	0	0	113.6	Y357 M358 M536 E540 S581 K582	Y357-W578 HydrophobicContact CD1-CB 4.46Å; Y357-W578 AromaticContact CD1-CD1 3.45Å; Y357-W578 VanDerWaalsContact CD1-CD1 3.45Å; Y357-W578 HydrophobicContact CD1-CG 4.01Å; Y357-W578 AromaticContact CD1-NE1 4Å; Y357-W578 AromaticContact CE1-CD1 3.2Å; Y357-W578 HydrophobicContact CE1-CG 4.18Å; Y357-W578 AromaticContact CE1-NE1 3.46Å; M358-W578 HydrophobicContact CE-CE3 4.19Å; M358-W578 HydrophobicContact CE-CH2 3.91Å; M358-W578 HydrophobicContact CE-CZ2 4.37Å; M358-W578 HydrophobicContact CE-CZ3 3.8Å; M358-W578 HydrophobicContact CG-CD2 4.44Å; M358-W578 HydrophobicContact CG-CE3 4.34Å; M358-W578 HydrophobicContact SD-CD2 3.5Å; M358-W578 HydrophobicContact SD-CE3 3.51Å; M358-W578 VanDerWaalsContact SD-CE3 3.51Å; M358-W578 HydrophobicContact SD-CG 4.21Å; M358-W578 HydrophobicContact SD-CH2 3.84Å; M358-W578 HydrophobicContact SD-CZ2 3.81Å; M358-W578 HydrophobicContact SD-CZ3 3.68Å; M536-W578 HydrophobicContact CE-CZ2 4.01Å; E540-W578 HydrophobicContact CB-CH2 3.75Å; E540-W578 HydrophobicContact CB-CZ2 4.18Å; W578-S581 WeakPolarHBondContact O-CB 3.39Å; W578-S581 PolarHBondContact O-N 3.47Å; W578-K582 HydrophobicContact CE3-CG 4.1Å; W578-K582 HydrophobicContact CZ3-CG 4.43Å; W578-K582 PolarHBondContact O-N 2.89Å
579	M	72.4	Confident	75.7	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-43.1	-178.6	-160.7	-168.5	72.6	0	0	112.2	M536 F539 F573 G577 S581 K582 L583	M536-M579 HydrophobicContact CE-SD 4.41Å; M536-M579 HydrophobicContact SD-CB 4.43Å; M536-M579 HydrophobicContact SD-CE 4.26Å; M536-M579 HydrophobicContact SD-CG 4.5Å; M536-M579 HydrophobicContact SD-SD 3.4Å; F539-M579 HydrophobicContact CB-CG 4.01Å; F539-M579 HydrophobicContact CB-SD 4.03Å; F539-M579 HydrophobicContact CD2-CE 4.13Å; F539-M579 HydrophobicContact CD2-CG 4.16Å; F539-M579 HydrophobicContact CD2-SD 3.3Å; F539-M579 WeakPolarHBondContact CD2-SD 3.39Å; F539-M579 HydrophobicContact CE2-CE 4.28Å; F539-M579 HydrophobicContact CE2-SD 4.01Å; F539-M579 HydrophobicContact CG-CG 4.25Å; F539-M579 HydrophobicContact CG-SD 3.95Å; F573-M579 HydrophobicContact CB-CE 3.97Å; F573-M579 HydrophobicContact CD1-CE 3.27Å; F573-M579 HydrophobicContact CD1-SD 3.97Å; F573-M579 HydrophobicContact CD2-CE 3.23Å; F573-M579 HydrophobicContact CE1-CE 3.42Å; F573-M579 VanDerWaalsContact CE1-CE 3.42Å; F573-M579 HydrophobicContact CE1-SD 3.77Å; F573-M579 HydrophobicContact CE2-CE 3.4Å; F573-M579 VanDerWaalsContact CE2-CE 3.4Å; F573-M579 HydrophobicContact CG-CE 3.17Å; F573-M579 HydrophobicContact CG-SD 4.43Å; F573-M579 HydrophobicContact CZ-CE 3.48Å; F573-M579 VanDerWaalsContact CZ-CE 3.48Å; F573-M579 HydrophobicContact CZ-SD 4.08Å; G577-M579 PolarHBondContact O-N 2.96Å; M579-S581 VanDerWaalsContact C-N 3.26Å; M579-S581 PolarHBondContact O-N 2.93Å; M579-K582 PolarHBondContact O-N 3.45Å; M579-L583 HydrophobicContact CE-CD1 3.93Å; M579-L583 HydrophobicContact CG-CD1 4.35Å; M579-L583 WeakPolarHBondContact O-CB 3.24Å; M579-L583 WeakPolarHBondContact O-CG 3.48Å; M579-L583 PolarHBondContact O-N 3.13Å
580	L	77.5	Confident	75.3	Confident	10 Å²	10	56.1 Å²	56.1	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-31.3	176.2	-68.5	176.6	0	0	0	111.3	G577 L583 R584 M593 L596	G577-L580 PolarHBondContact O-N 3.42Å; L580-L583 HydrophobicContact CD2-CD1 4.47Å; L580-R584 WeakPolarHBondContact O-CB 3.29Å; L580-R584 PolarHBondContact O-N 2.89Å; L580-R584 VanDerWaalsContact O-N 3.14Å; L580-M593 HydrophobicContact CB-CE 4.12Å; L580-M593 HydrophobicContact CD2-CE 4.04Å; L580-M593 HydrophobicContact CD2-SD 4.48Å; L580-M593 WeakPolarHBondContact O-CE 3.36Å; L580-L596 HydrophobicContact CD2-CB 4.11Å
581	S	73.4	Confident	75.1	Confident	43 Å²	43	55.4 Å²	55.4	30%	0.301	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-52.8	171.7	-174.9	0	0	0	0	110.6	D354 G577 W578 M579 L583 R584 D585	D354-S581 PolarHBondContact OD2-OG 2.89Å; G577-S581 PolarHBondContact O-N 3.01Å; W578-S581 WeakPolarHBondContact O-CB 3.39Å; W578-S581 PolarHBondContact O-N 3.47Å; M579-S581 VanDerWaalsContact C-N 3.26Å; M579-S581 PolarHBondContact O-N 2.93Å; S581-L583 PolarHBondContact O-N 2.94Å; S581-R584 WeakPolarHBondContact O-CA 3.49Å; S581-R584 VanDerWaalsContact O-CB 3.24Å; S581-R584 WeakPolarHBondContact O-CB 3.41Å; S581-R584 PolarHBondContact O-N 3.16Å; S581-D585 PolarHBondContact O-N 3.36Å
582	K	72.6	Confident	75	Confident	84 Å²	84	55.5 Å²	55.5	37%	0.365	31%	0.311	S	S	.	.	H	α-helix	trans	-67.7	-30.3	179.6	-71.4	-71.4	157.5	-143	0	114.8	T543 W578 M579 R584 D585 A586	T543-K582 HydrophobicContact CG2-CB 3.94Å; T543-K582 HydrophobicContact CG2-CD 4.47Å; T543-K582 HydrophobicContact CG2-CG 4.34Å; W578-K582 HydrophobicContact CE3-CG 4.1Å; W578-K582 HydrophobicContact CZ3-CG 4.43Å; W578-K582 PolarHBondContact O-N 2.89Å; M579-K582 PolarHBondContact O-N 3.45Å; K582-R584 VanDerWaalsContact C-N 3.31Å; K582-D585 IonicContact NZ-OD2 3.32Å; K582-D585 PolarHBondContact NZ-OD2 3.43Å; K582-D585 PolarHBondContact O-N 3.33Å; K582-A586 WeakPolarHBondContact O-CB 3.49Å; K582-A586 PolarHBondContact O-N 3.41Å; K582-A586 VanDerWaalsContact O-N 3.09Å
583	L	82.8	Confident	74.9	Confident	4 Å²	4	54 Å²	54	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-68.1	-34.4	172	-70.1	175	0	0	0	111.3	F539 I559 A563 M579 L580 S581 A586 V588 M593 L596	F539-L583 HydrophobicContact CD1-CD2 3.68Å; F539-L583 HydrophobicContact CE1-CD2 3.57Å; F539-L583 HydrophobicContact CG-CD2 4.43Å; F539-L583 HydrophobicContact CZ-CD1 4.47Å; F539-L583 HydrophobicContact CZ-CD2 4.22Å; I559-L583 HydrophobicContact CG2-CD2 3.43Å; I559-L583 VanDerWaalsContact CG2-CD2 3.43Å; A563-L583 HydrophobicContact CB-CD2 4.43Å; M579-L583 HydrophobicContact CE-CD1 3.93Å; M579-L583 HydrophobicContact CG-CD1 4.35Å; M579-L583 WeakPolarHBondContact O-CB 3.24Å; M579-L583 WeakPolarHBondContact O-CG 3.48Å; M579-L583 PolarHBondContact O-N 3.13Å; L580-L583 HydrophobicContact CD2-CD1 4.47Å; S581-L583 PolarHBondContact O-N 2.94Å; L583-A586 PolarHBondContact O-N 3.1Å; L583-V588 HydrophobicContact CB-CB 4.38Å; L583-V588 HydrophobicContact CB-CG2 4.04Å; L583-V588 HydrophobicContact CD2-CG2 4.05Å; L583-V588 VanDerWaalsContact O-CB 3.3Å; L583-V588 WeakPolarHBondContact O-CB 3.45Å; L583-V588 WeakPolarHBondContact O-CG2 3.44Å; L583-V588 PolarHBondContact O-N 3.19Å; L583-V588 VanDerWaalsContact O-N 3.12Å; L583-M593 HydrophobicContact CB-CE 4.1Å; L583-M593 HydrophobicContact CB-SD 3.66Å; L583-M593 HydrophobicContact CD1-SD 4.44Å; L583-L596 HydrophobicContact CD1-CD1 3.89Å
584	R	81.6	Confident	74.9	Confident	168 Å²	168	56.9 Å²	56.9	63%	0.634	32%	0.324	S	S	*	.	H	α-helix	trans	-65.2	-44.8	172	-164.9	-175.6	-57.5	-174.7	1.4	111.4	L580 S581 K582 A586 D587 M593	L580-R584 WeakPolarHBondContact O-CB 3.29Å; L580-R584 PolarHBondContact O-N 2.89Å; L580-R584 VanDerWaalsContact O-N 3.14Å; S581-R584 WeakPolarHBondContact O-CA 3.49Å; S581-R584 VanDerWaalsContact O-CB 3.24Å; S581-R584 WeakPolarHBondContact O-CB 3.41Å; S581-R584 PolarHBondContact O-N 3.16Å; K582-R584 VanDerWaalsContact C-N 3.31Å; R584-A586 PolarHBondContact O-N 3.34Å; R584-D587 PolarHBondContact O-N 2.93Å; R584-M593 HydrophobicContact CB-CE 4.24Å
585	D	77.1	Confident	75.5	Confident	92 Å²	92	60.8 Å²	60.8	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-61.8	-24.4	175.2	-63.9	-12.6	0	0	0	112.9	S581 K582 D587	S581-D585 PolarHBondContact O-N 3.36Å; K582-D585 IonicContact NZ-OD2 3.32Å; K582-D585 PolarHBondContact NZ-OD2 3.43Å; K582-D585 PolarHBondContact O-N 3.33Å; D585-D587 VanDerWaalsContact C-N 3.27Å
586	A	78.7	Confident	77	Confident	3 Å²	3	55.1 Å²	55.1	3%	0.025	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	15	176.8	0	0	0	0	0	113.2	N556 I559 K582 L583 R584 V588	N556-A586 HydrophobicContact CB-CB 4.45Å; I559-A586 HydrophobicContact CB-CB 4.29Å; I559-A586 HydrophobicContact CD1-CB 4.18Å; I559-A586 HydrophobicContact CG2-CB 3.81Å; K582-A586 WeakPolarHBondContact O-CB 3.49Å; K582-A586 PolarHBondContact O-N 3.41Å; K582-A586 VanDerWaalsContact O-N 3.09Å; L583-A586 PolarHBondContact O-N 3.1Å; R584-A586 PolarHBondContact O-N 3.34Å; A586-V588 VanDerWaalsContact C-N 3.28Å; A586-V588 PolarHBondContact O-N 3.46Å
587	D	80.2	Confident	78.3	Confident	121 Å²	121	53.1 Å²	53.1	65%	0.647	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	31.7	-179.9	-61.5	-44.8	0	0	0	114.2	Q560 R584 D585	Q560-D587 PolarHBondContact NE2-O 3.02Å; R584-D587 PolarHBondContact O-N 2.93Å; D585-D587 VanDerWaalsContact C-N 3.27Å
588	V	83.4	Confident	78.5	Confident	9 Å²	9	55.1 Å²	55.1	6%	0.055	29%	0.293	C	S	.	.			trans	-64.5	128.4	176.9	177.3	0	0	0	0	110.2	I559 Q560 A563 L583 A586 I592 M593	I559-V588 HydrophobicContact CG2-CG2 4.32Å; Q560-V588 HydrophobicContact CG-CG2 3.94Å; A563-V588 HydrophobicContact CB-CG1 3.88Å; A563-V588 HydrophobicContact CB-CG2 4.17Å; L583-V588 HydrophobicContact CB-CB 4.38Å; L583-V588 HydrophobicContact CB-CG2 4.04Å; L583-V588 HydrophobicContact CD2-CG2 4.05Å; L583-V588 VanDerWaalsContact O-CB 3.3Å; L583-V588 WeakPolarHBondContact O-CB 3.45Å; L583-V588 WeakPolarHBondContact O-CG2 3.44Å; L583-V588 PolarHBondContact O-N 3.19Å; L583-V588 VanDerWaalsContact O-N 3.12Å; A586-V588 VanDerWaalsContact C-N 3.28Å; A586-V588 PolarHBondContact O-N 3.46Å; V588-I592 HydrophobicContact CG1-CB 3.95Å; V588-I592 HydrophobicContact CG1-CG2 3.87Å; V588-M593 HydrophobicContact CB-CG 4.21Å; V588-M593 HydrophobicContact CB-SD 4.04Å; V588-M593 HydrophobicContact CG1-CG 4.01Å; V588-M593 HydrophobicContact CG1-SD 3.98Å
589	P	83.8	Confident	77.4	Confident	43 Å²	43	57.2 Å²	57.2	28%	0.279	31%	0.31	S	S	.	.			trans	-52.8	139.5	-177.6	-29.2	33.9	0	0	0	113.9	H591 I592 M593	P589-H591 VanDerWaalsContact CB-CE1 3.42Å; P589-H591 WeakPolarHBondContact CB-CE1 3.28Å; P589-H591 WeakPolarHBondContact CB-ND1 3.35Å; P589-H591 PolarHBondContact O-N 2.88Å; P589-H591 VanDerWaalsContact O-N 3.15Å; P589-I592 HydrophobicContact CB-CD1 4.41Å; P589-I592 HydrophobicContact CB-CG1 4.33Å; P589-I592 HydrophobicContact CG-CD1 4.22Å; P589-I592 WeakPolarHBondContact O-CB 3.36Å; P589-I592 PolarHBondContact O-N 3.29Å; P589-M593 PolarHBondContact O-N 3Å
590	T	80.2	Confident	75.5	Confident	123 Å²	123	69 Å²	69	76%	0.755	35%	0.354	S	S	*	.	H	α-helix	trans	-57	-34	-175.5	52.6	0	0	0	0	113.6	M593 A594	T590-M593 WeakPolarHBondContact O-CB 3.3Å; T590-M593 PolarHBondContact O-N 2.91Å; T590-A594 WeakPolarHBondContact O-CB 3.49Å; T590-A594 PolarHBondContact O-N 3.28Å
591	H	82.1	Confident	73.2	Confident	117 Å²	117	72.7 Å²	72.7	54%	0.542	38%	0.38	S	S	.	.	H	α-helix	trans	-68.2	-34.1	176.7	73.4	-87.1	0	0	0	113	P589 K595	P589-H591 VanDerWaalsContact CB-CE1 3.42Å; P589-H591 WeakPolarHBondContact CB-CE1 3.28Å; P589-H591 WeakPolarHBondContact CB-ND1 3.35Å; P589-H591 PolarHBondContact O-N 2.88Å; P589-H591 VanDerWaalsContact O-N 3.15Å; H591-K595 PolarHBondContact O-N 3.29Å
592	I	82.9	Confident	71	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.062	40%	0.403	C	S	.	.	H	α-helix	trans	-70.9	-46	172.4	-59.3	-177.1	0	0	0	108.7	A563 D564 A567 V588 P589 A594 K595 L596	A563-I592 HydrophobicContact CB-CG2 4.06Å; D564-I592 HydrophobicContact CB-CD1 4.14Å; A567-I592 HydrophobicContact CB-CG2 3.98Å; V588-I592 HydrophobicContact CG1-CB 3.95Å; V588-I592 HydrophobicContact CG1-CG2 3.87Å; P589-I592 HydrophobicContact CB-CD1 4.41Å; P589-I592 HydrophobicContact CB-CG1 4.33Å; P589-I592 HydrophobicContact CG-CD1 4.22Å; P589-I592 WeakPolarHBondContact O-CB 3.36Å; P589-I592 PolarHBondContact O-N 3.29Å; I592-A594 PolarHBondContact O-N 2.88Å; I592-K595 WeakPolarHBondContact O-CB 3.48Å; I592-K595 PolarHBondContact O-N 2.99Å; I592-L596 HydrophobicContact CG2-CD1 3.93Å; I592-L596 HydrophobicContact CG2-CG 4.2Å; I592-L596 WeakPolarHBondContact O-CG 3.47Å; I592-L596 PolarHBondContact O-N 3.34Å
593	M	83.1	Confident	68.7	Low	27 Å²	27	76.4 Å²	76.4	13%	0.133	42%	0.416	C	S	.	.	H	α-helix	trans	-56	-38.5	176.3	-69.8	-63	-74.1	0	0	112.6	L580 L583 R584 V588 P589 T590 L596 S597	L580-M593 HydrophobicContact CB-CE 4.12Å; L580-M593 HydrophobicContact CD2-CE 4.04Å; L580-M593 HydrophobicContact CD2-SD 4.48Å; L580-M593 WeakPolarHBondContact O-CE 3.36Å; L583-M593 HydrophobicContact CB-CE 4.1Å; L583-M593 HydrophobicContact CB-SD 3.66Å; L583-M593 HydrophobicContact CD1-SD 4.44Å; R584-M593 HydrophobicContact CB-CE 4.24Å; V588-M593 HydrophobicContact CB-CG 4.21Å; V588-M593 HydrophobicContact CB-SD 4.04Å; V588-M593 HydrophobicContact CG1-CG 4.01Å; V588-M593 HydrophobicContact CG1-SD 3.98Å; P589-M593 PolarHBondContact O-N 3Å; T590-M593 WeakPolarHBondContact O-CB 3.3Å; T590-M593 PolarHBondContact O-N 2.91Å; M593-L596 PolarHBondContact O-N 3.34Å; M593-S597 WeakPolarHBondContact O-CB 3.42Å; M593-S597 PolarHBondContact O-N 3.39Å
594	A	80.5	Confident	65.9	Low	65 Å²	65	84.3 Å²	84.3	54%	0.537	46%	0.457	S	S	.	.	H	α-helix	trans	-65.7	-37.9	175.3	0	0	0	0	0	112.7	T590 I592	T590-A594 WeakPolarHBondContact O-CB 3.49Å; T590-A594 PolarHBondContact O-N 3.28Å; I592-A594 PolarHBondContact O-N 2.88Å
595	K	82.3	Confident	63.3	Low	133 Å²	133	81.1 Å²	81.1	58%	0.578	46%	0.461	S	S	*	.	H	α-helix	trans	-69.7	-34.7	174.4	-73.2	-175.6	177	-174.9	0	112.8	A567 H591 I592 S597	A567-K595 HydrophobicContact CB-CB 3.95Å; A567-K595 HydrophobicContact CB-CD 4.16Å; H591-K595 PolarHBondContact O-N 3.29Å; I592-K595 WeakPolarHBondContact O-CB 3.48Å; I592-K595 PolarHBondContact O-N 2.99Å; K595-S597 VanDerWaalsContact C-N 3.33Å
596	L	83.4	Confident	60.8	Low	0 Å²	0	81.5 Å²	81.5	0%	0	47%	0.471	C	S	.	.	H	α-helix	trans	-77.5	-19.1	179.1	-64.6	179.8	0	0	0	113	A563 C566 A567 T572 F573 L580 L583 I592 M593	A563-L596 HydrophobicContact CB-CD1 4.08Å; C566-L596 HydrophobicContact CB-CD2 3.97Å; A567-L596 HydrophobicContact CB-CD2 3.86Å; A567-L596 HydrophobicContact CB-CG 4.25Å; T572-L596 CarbonylContact C-O 3.6Å; T572-L596 WeakPolarHBondContact CA-O 3.46Å; F573-L596 HydrophobicContact CD2-CB 4.3Å; F573-L596 HydrophobicContact CE2-CD2 4.12Å; F573-L596 PolarHBondContact N-O 2.88Å; L580-L596 HydrophobicContact CD2-CB 4.11Å; L583-L596 HydrophobicContact CD1-CD1 3.89Å; I592-L596 HydrophobicContact CG2-CD1 3.93Å; I592-L596 HydrophobicContact CG2-CG 4.2Å; I592-L596 WeakPolarHBondContact O-CG 3.47Å; I592-L596 PolarHBondContact O-N 3.34Å; M593-L596 PolarHBondContact O-N 3.34Å
597	S	77.1	Confident	58.3	Low	15 Å²	15	89.1 Å²	89.1	11%	0.105	50%	0.504	C	S	.	.	B	Isolated β-bridge	trans	-83	131.2	177.6	-175.6	0	0	0	0	111.3	H575 M593 K595 S599	H575-S597 PolarHBondContact CE1-OG 2.95Å; H575-S597 PolarHBondContact ND1-OG 2.72Å; M593-S597 WeakPolarHBondContact O-CB 3.42Å; M593-S597 PolarHBondContact O-N 3.39Å; K595-S597 VanDerWaalsContact C-N 3.33Å; S597-S599 PolarHBondContact O-N 3.35Å; S597-S599 PolarHBondContact OG-N 3.48Å
598	S	65.3	Low	55.9	Low	70 Å²	70	86.8 Å²	86.8	49%	0.49	50%	0.496	S	S	.	.	S	Bend	trans	-73.2	-8.2	175.2	46.1	0	0	0	0	114.8	F573 A574	F573-S598 WeakPolarHBondContact O-CB 3.35Å; F573-S598 PolarHBondContact O-N 2.92Å; F573-S598 PolarHBondContact O-OG 3.26Å; A574-S598 WeakPolarHBondContact CA-OG 3.35Å
599	S	44.9	Very low	53.4	Low	59 Å²	59	90.9 Å²	90.9	41%	0.413	52%	0.518	S	S	.	.			trans	-109.8	107.3	-179.7	-165	0	0	0	0	111.8	S597 S601	S597-S599 PolarHBondContact O-N 3.35Å; S597-S599 PolarHBondContact OG-N 3.48Å; S599-S601 PolarHBondContact O-N 3.44Å
600	R	33.4	Very low	50.9	Low	252 Å²	252	95.2 Å²	95.2	95%	0.951	54%	0.537	S	S	*	.			trans	-86.2	76.2	160	-82.3	-175.3	175.4	179.9	-1.3	108.2
601	S	27.9	Very low	48.5	Very low	86 Å²	86	93.3 Å²	93.3	60%	0.601	52%	0.523	S	S	*	.	S	Bend	trans	177.4	117.3	162.9	180	0	0	0	0	110.5	S599	S599-S601 PolarHBondContact O-N 3.44Å
602	V	26.9	Very low	46.3	Very low	128 Å²	128	90.5 Å²	90.5	78%	0.776	51%	0.514	S	S	*	.			trans	60.9	108.3	149.1	-170.4	0	0	0	0	120.4
603	A	25.4	Very low	43.8	Very low	77 Å²	77	96.9 Å²	96.9	64%	0.636	55%	0.547	S	S	*	.			trans	15.5	137.2	136	0	0	0	0	0	121.8
604	L	24.7	Very low	41.3	Very low	171 Å²	171	100.3 Å²	100.3	90%	0.895	57%	0.565	S	S	*	*			trans	76.3	126.6	150.7	-70.8	144.1	0	0	0	118.8
605	S	25.9	Very low	39.3	Very low	101 Å²	101	101.6 Å²	101.6	71%	0.706	56%	0.559	S	S	*	*			trans	92.4	100.6	161.2	77.3	0	0	0	0	119.9
606	S	24.7	Very low	36.8	Very low	100 Å²	100	99.8 Å²	99.8	70%	0.699	56%	0.556	S	S	*	*			trans	20.6	113.9	130.7	-24.1	0	0	0	0	120.9	S608	S606-S608 PolarHBondContact O-N 3.08Å
607	F	26	Very low	34.2	Very low	163 Å²	163	103.1 Å²	103.1	72%	0.715	57%	0.574	S	S	*	*	S	Bend	trans	54.9	0.8	139.3	-79.6	-80.4	0	0	0	123.7
608	S	29.4	Very low	31.8	Very low	71 Å²	71	112.9 Å²	112.9	50%	0.497	61%	0.608	S	S	.	*			trans	-88.4	-10.9	-176.9	47.9	0	0	0	0	116.7	S606 I610	S606-S608 PolarHBondContact O-N 3.08Å; S608-I610 PolarHBondContact O-N 2.86Å
609	N	31.5	Very low	30	Very low	95 Å²	95	114.2 Å²	114.2	51%	0.508	62%	0.624	S	S	.	*	H	α-helix	trans	-86.7	4.2	-155.8	-83.7	-11.9	0	0	0	119.8	L613	N609-L613 WeakPolarHBondContact O-CB 3.18Å; N609-L613 PolarHBondContact O-N 2.91Å; N609-L613 VanDerWaalsContact O-N 3.16Å
610	I	31.3	Very low	29.1	Very low	134 Å²	134	116.8 Å²	116.8	69%	0.687	64%	0.642	S	S	*	*	H	α-helix	trans	-75.7	-32.6	172.9	-83.8	172.3	0	0	0	112.3	S608 L614	S608-I610 PolarHBondContact O-N 2.86Å; I610-L614 HydrophobicContact CG2-CD1 4.42Å; I610-L614 WeakPolarHBondContact O-CG 3.22Å
611	N	30.7	Very low	28.7	Very low	83 Å²	83	113 Å²	113	44%	0.444	64%	0.64	S	S	.	*	H	α-helix	trans	-80.5	-33.2	175.7	-75.3	-18.3	0	0	0	111.8	L614 F615	N611-L614 PolarHBondContact O-N 3.46Å; N611-F615 WeakPolarHBondContact O-CB 3.5Å; N611-F615 PolarHBondContact O-N 3.5Å
612	V	34.8	Very low	28.7	Very low	58 Å²	58	113.4 Å²	113.4	35%	0.352	65%	0.649	S	S	.	*	H	α-helix	trans	-64.3	-40.7	174.7	179.4	0	0	0	0	111	L614 D616	V612-L614 PolarHBondContact O-N 3.4Å; V612-D616 HydrophobicContact CB-CB 4.38Å; V612-D616 HydrophobicContact CG1-CB 3.85Å; V612-D616 PolarHBondContact O-N 3.49Å
613	L	30.9	Very low	28.8	Very low	147 Å²	147	115.3 Å²	115.3	77%	0.77	66%	0.655	S	S	*	*	H	α-helix	trans	-68.1	-14.9	175.8	-101.7	151.6	0	0	0	114.7	N609	N609-L613 WeakPolarHBondContact O-CB 3.18Å; N609-L613 PolarHBondContact O-N 2.91Å; N609-L613 VanDerWaalsContact O-N 3.16Å
614	L	31	Very low	28.9	Very low	98 Å²	98	114.4 Å²	114.4	51%	0.513	65%	0.653	S	S	.	*	H	α-helix	trans	-111.1	-23.6	-178	-70.8	171.8	0	0	0	113.2	I610 N611 V612	I610-L614 HydrophobicContact CG2-CD1 4.42Å; I610-L614 WeakPolarHBondContact O-CG 3.22Å; N611-L614 PolarHBondContact O-N 3.46Å; V612-L614 PolarHBondContact O-N 3.4Å
615	F	38.8	Very low	29	Very low	92 Å²	92	117.7 Å²	117.7	40%	0.404	65%	0.653	S	S	.	*	H	α-helix	trans	-145.8	-0.8	-164	-57.4	-68.2	0	0	0	117	N611 D617	N611-F615 WeakPolarHBondContact O-CB 3.5Å; N611-F615 PolarHBondContact O-N 3.5Å; F615-D617 PolarHBondContact O-N 3.08Å
616	D	29.4	Very low	29.2	Very low	96 Å²	96	120.4 Å²	120.4	51%	0.513	66%	0.66	S	S	.	*			trans	-85.4	115.7	-178.1	-121	-25.5	0	0	0	113.3	V612	V612-D616 HydrophobicContact CB-CB 4.38Å; V612-D616 HydrophobicContact CG1-CB 3.85Å; V612-D616 PolarHBondContact O-N 3.49Å
617	D	27.9	Very low	29.3	Very low	70 Å²	70	124.6 Å²	124.6	37%	0.374	67%	0.666	S	S	.	*			trans	-120.9	113.8	166.5	-165.9	23.4	0	0	0	104.8	F615 T646	F615-D617 PolarHBondContact O-N 3.08Å; D617-T646 WeakPolarHBondContact OD1-CG2 3.37Å
618	R	27.3	Very low	29.5	Very low	219 Å²	219	123.7 Å²	123.7	83%	0.826	67%	0.668	S	S	*	*			trans	96.8	93.5	177.6	-53.7	171.5	-178.1	-172.4	0.9	118.6
619	A	27.1	Very low	29.5	Very low	99 Å²	99	128.8 Å²	128.8	82%	0.818	68%	0.684	S	S	*	*			trans	-160.6	72.4	148	0	0	0	0	0	112.6
620	S	26.8	Very low	29.4	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	70%	0.7	S	S	*	*			trans	-159.5	66	160.8	53.3	0	0	0	0	111.5
621	N	24.8	Very low	29.2	Very low	172 Å²	172	131 Å²	131	92%	0.92	70%	0.704	S	S	*	*			trans	-150.6	71.7	163	-91.4	-25.9	0	0	0	108.7
622	A	26.7	Very low	29.1	Very low	94 Å²	94	133.3 Å²	133.3	78%	0.777	72%	0.721	S	S	*	*			trans	178.4	88.1	159.2	0	0	0	0	0	110.7
623	D	29.7	Very low	28.8	Very low	169 Å²	169	137.3 Å²	137.3	90%	0.904	75%	0.745	S	S	*	*			trans	159.7	116	142.7	-98.8	-12.7	0	0	0	106.7
624	G	27.2	Very low	28.5	Very low	58 Å²	58	138.4 Å²	138.4	60%	0.598	75%	0.752	S	S	*	*			cis	90.9	50.7	24.2	0	0	0	0	0	112.1
625	R	27.9	Very low	28.4	Very low	239 Å²	239	142.6 Å²	142.6	90%	0.902	77%	0.769	S	S	*	*			trans	165.2	146.5	133.3	-87.5	157.5	-149.7	-166.6	7.3	113.7
626	N	29.3	Very low	27.8	Very low	158 Å²	158	144.9 Å²	144.9	85%	0.845	79%	0.79	S	S	*	*			trans	88	97.7	160.2	-62.6	-3.3	0	0	0	118.7
627	K	27	Very low	27.6	Very low	189 Å²	189	149.6 Å²	149.6	82%	0.822	81%	0.806	S	S	*	*			trans	-62.1	142.4	154.1	-59.8	167.8	170.7	177.7	0	109.5
628	D	30.9	Very low	27.5	Very low	143 Å²	143	153.4 Å²	153.4	77%	0.765	83%	0.826	S	S	*	*				168.1	137.2	116.5	-80.3	-24.9	0	0	0	111
629	E	28.9	Very low	27.5	Very low	179 Å²	179	150.3 Å²	150.3	84%	0.836	83%	0.825	S	S	*	*			trans	71.4	96.7	155.7	-63.4	175.2	-178.4	0	0	120.5
630	D	28.5	Very low	27.8	Very low	156 Å²	156	151.5 Å²	151.5	83%	0.834	82%	0.824	S	S	*	*				174.5	130.1	101.2	-108.4	-20.9	0	0	0	112
631	P	27.5	Very low	28.7	Very low	119 Å²	119	154.3 Å²	154.3	77%	0.773	83%	0.825	S	S	*	*			trans	-115	86.8	-179.7	38	-25	0	0	0	113
632	V	29	Very low	30.2	Very low	132 Å²	132	152.4 Å²	152.4	80%	0.8	81%	0.81	S	S	*	*			trans	-150.8	92.4	162.3	-172.3	0	0	0	0	111.2
633	T	28.2	Very low	32.3	Very low	141 Å²	141	150 Å²	150	87%	0.865	79%	0.788	S	S	*	*			trans	172.9	93.7	133.9	24.9	0	0	0	0	110.9	Q635	T633-Q635 PolarHBondContact O-N 3.46Å
634	N	24.5	Very low	34.8	Very low	171 Å²	171	143.2 Å²	143.2	91%	0.914	75%	0.751	S	S	*	*			trans	-76.5	100.1	162	-91.7	-28.6	0	0	0	109.3
635	Q	28.3	Very low	37.2	Very low	185 Å²	185	142 Å²	142	86%	0.864	73%	0.733	S	S	*	*			trans	-143.4	99.5	148.5	-74.7	-166	-2.5	0	0	109.6	T633	T633-Q635 PolarHBondContact O-N 3.46Å
636	V	27.8	Very low	39.7	Very low	141 Å²	141	132.5 Å²	132.5	86%	0.855	70%	0.701	S	S	*	*			trans	48.9	97.7	153.1	-167.7	0	0	0	0	117.7
637	K	24	Very low	42.4	Very low	195 Å²	195	125.2 Å²	125.2	85%	0.848	66%	0.662	S	S	*	*			trans	-57.2	135.5	164.7	-70.2	169.8	171.8	177	0	113.1
638	L	26.5	Very low	45.2	Very low	150 Å²	150	116.2 Å²	116.2	79%	0.785	62%	0.623	S	S	*	*			trans	-160.9	109	141	-99.5	149.5	0	0	0	107.7
639	L	28.1	Very low	47.7	Very low	154 Å²	154	113.1 Å²	113.1	81%	0.806	60%	0.604	S	S	*	*			trans	-72.3	132.6	-173.2	-80.4	149.8	0	0	0	112.1	E641	L639-E641 PolarHBondContact O-N 3.46Å
640	P	31.8	Very low	50.4	Low	123 Å²	123	106.8 Å²	106.8	80%	0.799	58%	0.58	S	S	*	*	S	Bend	trans	-79.9	15.5	178	-14.8	30.6	0	0	0	117.6
641	E	46.7	Very low	53.3	Low	172 Å²	172	99.4 Å²	99.4	80%	0.804	54%	0.54	S	S	*	.			trans	-114.1	12.5	-158.3	-65.4	-169.7	166.6	0	0	118.1	L639	L639-E641 PolarHBondContact O-N 3.46Å
642	E	55.9	Low	56.2	Low	132 Å²	132	94.8 Å²	94.8	62%	0.617	51%	0.51	S	S	*	.			trans	-84.4	131.3	176.4	-74.2	-179.5	-174.4	0	0	113.5
643	S	70.4	Confident	58.9	Low	44 Å²	44	94.8 Å²	94.8	31%	0.308	50%	0.499	S	S	.	.			trans	-73.2	134.8	176.1	88.4	0	0	0	0	110.1	P645 T646 T647	S643-P645 VanDerWaalsContact C-N 3.31Å; S643-T646 PolarHBondContact N-OG1 3.28Å; S643-T646 PolarHBondContact O-N 2.88Å; S643-T646 PolarHBondContact O-OG1 3.47Å; S643-T646 WeakPolarHBondContact OG-CB 3.45Å; S643-T646 WeakPolarHBondContact OG-CG2 3.28Å; S643-T646 PolarHBondContact OG-N 3.26Å; S643-T646 PolarHBondContact OG-OG1 3.37Å; S643-T647 PolarHBondContact O-N 2.9Å; S643-T647 PolarHBondContact O-OG1 2.83Å
644	I	81.9	Confident	61.6	Low	27 Å²	27	88.3 Å²	88.3	14%	0.138	46%	0.46	C	S	.	.	H	α-helix	trans	-53.3	-39.8	179.2	-57	169.8	0	0	0	113.4	T647 A648 W673 K677 I680 L681 Y684	I644-T647 PolarHBondContact O-N 3.36Å; I644-A648 WeakPolarHBondContact O-CB 3.15Å; I644-A648 PolarHBondContact O-N 3.43Å; I644-W673 HydrophobicContact CG1-CH2 4.12Å; I644-W673 HydrophobicContact CG1-CZ3 4.06Å; I644-W673 HydrophobicContact CG2-CH2 4.48Å; I644-W673 HydrophobicContact CG2-CZ3 4.2Å; I644-K677 HydrophobicContact CD1-CD 4.42Å; I644-K677 HydrophobicContact CD1-CG 3.54Å; I644-K677 HydrophobicContact CG1-CD 4.44Å; I644-K677 HydrophobicContact CG1-CG 3.96Å; I644-I680 HydrophobicContact CB-CG2 4.5Å; I644-I680 HydrophobicContact CD1-CB 3.96Å; I644-I680 HydrophobicContact CD1-CD1 4.17Å; I644-I680 HydrophobicContact CD1-CG2 3.73Å; I644-I680 HydrophobicContact CG2-CG2 4Å; I644-L681 HydrophobicContact CG2-CB 4.09Å; I644-L681 HydrophobicContact CG2-CD1 4.07Å; I644-Y684 HydrophobicContact CG2-CD2 4.31Å
645	P	77.8	Confident	64.6	Low	32 Å²	32	82 Å²	82	21%	0.208	43%	0.429	C	S	.	.	H	α-helix	trans	-58.1	-47.9	173.8	-17.5	24.9	0	0	0	113	S643 T647 A648 E649 Y684	S643-P645 VanDerWaalsContact C-N 3.31Å; P645-T647 PolarHBondContact O-N 3.28Å; P645-A648 WeakPolarHBondContact O-CB 3.43Å; P645-A648 PolarHBondContact O-N 3.19Å; P645-A648 VanDerWaalsContact O-N 3.13Å; P645-E649 PolarHBondContact O-N 3.45Å; P645-Y684 HydrophobicContact CB-CD1 3.98Å; P645-Y684 HydrophobicContact CB-CE1 3.56Å; P645-Y684 HydrophobicContact CG-CD1 4.23Å; P645-Y684 HydrophobicContact CG-CE1 3.44Å; P645-Y684 VanDerWaalsContact CG-CE1 3.44Å
646	T	80.2	Confident	67.1	Low	39 Å²	39	81.1 Å²	81.1	24%	0.239	42%	0.423	C	S	.	.	H	α-helix	trans	-65	-40.2	-179.1	56.8	0	0	0	0	111.8	D617 S643 A648 E649 S650	D617-T646 WeakPolarHBondContact OD1-CG2 3.37Å; S643-T646 PolarHBondContact N-OG1 3.28Å; S643-T646 PolarHBondContact O-N 2.88Å; S643-T646 PolarHBondContact O-OG1 3.47Å; S643-T646 WeakPolarHBondContact OG-CB 3.45Å; S643-T646 WeakPolarHBondContact OG-CG2 3.28Å; S643-T646 PolarHBondContact OG-N 3.26Å; S643-T646 PolarHBondContact OG-OG1 3.37Å; T646-A648 VanDerWaalsContact C-N 3.34Å; T646-A648 PolarHBondContact O-N 2.77Å; T646-E649 PolarHBondContact O-N 3.22Å; T646-S650 WeakPolarHBondContact O-CB 3.41Å; T646-S650 PolarHBondContact O-N 3.21Å
647	T	86	Confident	69.8	Low	5 Å²	5	80.9 Å²	80.9	3%	0.031	42%	0.417	C	S	.	.	H	α-helix	trans	-61.7	-42.4	172.2	-47.5	0	0	0	0	111.1	S643 I644 P645 E649 S650 L651 I669 W673	S643-T647 PolarHBondContact O-N 2.9Å; S643-T647 PolarHBondContact O-OG1 2.83Å; I644-T647 PolarHBondContact O-N 3.36Å; P645-T647 PolarHBondContact O-N 3.28Å; T647-E649 PolarHBondContact O-N 3.46Å; T647-S650 PolarHBondContact O-N 3.23Å; T647-L651 HydrophobicContact CG2-CD1 4.24Å; T647-L651 HydrophobicContact CG2-CG 4.44Å; T647-L651 VanDerWaalsContact O-CG 3.23Å; T647-L651 WeakPolarHBondContact O-CG 3.46Å; T647-L651 PolarHBondContact O-N 3.43Å; T647-I669 HydrophobicContact CG2-CD1 3.92Å; T647-W673 HydrophobicContact CG2-CH2 3.9Å; T647-W673 HydrophobicContact CG2-CZ2 4Å
648	A	86.5	Confident	72.7	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.6	-44.5	177.1	0	0	0	0	0	111.9	I644 P645 T646 L651 V652 L681 L685 L688	I644-A648 WeakPolarHBondContact O-CB 3.15Å; I644-A648 PolarHBondContact O-N 3.43Å; P645-A648 WeakPolarHBondContact O-CB 3.43Å; P645-A648 PolarHBondContact O-N 3.19Å; P645-A648 VanDerWaalsContact O-N 3.13Å; T646-A648 VanDerWaalsContact C-N 3.34Å; T646-A648 PolarHBondContact O-N 2.77Å; A648-L651 PolarHBondContact O-N 3.21Å; A648-V652 VanDerWaalsContact O-CG2 3.3Å; A648-V652 WeakPolarHBondContact O-CG2 3.33Å; A648-V652 PolarHBondContact O-N 2.99Å; A648-L681 HydrophobicContact CB-CD1 3.84Å; A648-L685 HydrophobicContact CB-CD2 4.1Å; A648-L685 HydrophobicContact CB-CG 4.42Å; A648-L688 HydrophobicContact CB-CD1 3.99Å
649	E	84.3	Confident	75.5	Confident	79 Å²	79	71.6 Å²	71.6	37%	0.369	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-39.3	175.7	-71.3	-176.4	-166.8	0	0	112.7	P645 T646 T647 V652 K653 L688	P645-E649 PolarHBondContact O-N 3.45Å; T646-E649 PolarHBondContact O-N 3.22Å; T647-E649 PolarHBondContact O-N 3.46Å; E649-V652 PolarHBondContact O-N 3.25Å; E649-K653 WeakPolarHBondContact O-CG 3.17Å; E649-K653 PolarHBondContact O-N 2.99Å; E649-L688 HydrophobicContact CG-CD1 4.12Å; E649-L688 HydrophobicContact CG-CD2 4.49Å
650	S	85.8	Confident	78	Confident	46 Å²	46	72 Å²	72	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-59.3	-50	174.3	-168	0	0	0	0	110.7	T646 T647 V652 K653 A654	T646-S650 WeakPolarHBondContact O-CB 3.41Å; T646-S650 PolarHBondContact O-N 3.21Å; T647-S650 PolarHBondContact O-N 3.23Å; S650-V652 VanDerWaalsContact C-N 3.3Å; S650-V652 PolarHBondContact O-N 3.36Å; S650-K653 CarbonylContact O-C 3.58Å; S650-K653 PolarHBondContact O-N 2.77Å; S650-A654 WeakPolarHBondContact O-CB 3.48Å; S650-A654 PolarHBondContact O-N 3.46Å
651	L	89.3	Confident	80.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-38.1	177.8	-68	168.9	0	0	0	112.4	T647 A648 S655 L662 E665 L666 I669 L681 L685 V693	T647-L651 HydrophobicContact CG2-CD1 4.24Å; T647-L651 HydrophobicContact CG2-CG 4.44Å; T647-L651 VanDerWaalsContact O-CG 3.23Å; T647-L651 WeakPolarHBondContact O-CG 3.46Å; T647-L651 PolarHBondContact O-N 3.43Å; A648-L651 PolarHBondContact O-N 3.21Å; L651-S655 WeakPolarHBondContact O-CB 3.29Å; L651-S655 PolarHBondContact O-N 3.31Å; L651-L662 HydrophobicContact CB-CD1 4.13Å; L651-L662 HydrophobicContact CD2-CD1 3.65Å; L651-E665 HydrophobicContact CD2-CB 3.77Å; L651-E665 VanDerWaalsContact CD2-OE2 3.27Å; L651-E665 WeakPolarHBondContact CD2-OE2 3.42Å; L651-L666 HydrophobicContact CD1-CD2 4.24Å; L651-L666 HydrophobicContact CD2-CD2 3.86Å; L651-L666 HydrophobicContact CD2-CG 4.11Å; L651-I669 HydrophobicContact CD1-CD1 3.76Å; L651-I669 HydrophobicContact CD2-CD1 4.2Å; L651-I669 HydrophobicContact CG-CD1 4.44Å; L651-L681 HydrophobicContact CD1-CD1 4.11Å; L651-L681 HydrophobicContact CD1-CD2 4.06Å; L651-L685 HydrophobicContact CB-CD2 4.43Å; L651-V693 HydrophobicContact CB-CG1 4.13Å
652	V	87	Confident	82.4	Confident	23 Å²	23	62.7 Å²	62.7	14%	0.139	33%	0.325	C	S	.	.	H	α-helix	trans	-72.9	-29.9	176.7	176	0	0	0	0	112.3	A648 E649 S650 S655 L685 L688 S690	A648-V652 VanDerWaalsContact O-CG2 3.3Å; A648-V652 WeakPolarHBondContact O-CG2 3.33Å; A648-V652 PolarHBondContact O-N 2.99Å; E649-V652 PolarHBondContact O-N 3.25Å; S650-V652 VanDerWaalsContact C-N 3.3Å; S650-V652 PolarHBondContact O-N 3.36Å; V652-S655 PolarHBondContact O-OG 3.01Å; V652-L685 HydrophobicContact CG2-CD2 3.82Å; V652-L688 HydrophobicContact CB-CD1 4.41Å; V652-L688 HydrophobicContact CG2-CB 4.18Å; V652-L688 HydrophobicContact CG2-CD1 3.79Å; V652-S690 VanDerWaalsContact CG2-CB 3.47Å
653	K	85.8	Confident	84	Confident	131 Å²	131	59.7 Å²	59.7	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-73.4	-44.9	171.6	-74.5	173.4	-174.8	167.1	0	111.2	E649 S650 S655 K656 N657	E649-K653 WeakPolarHBondContact O-CG 3.17Å; E649-K653 PolarHBondContact O-N 2.99Å; S650-K653 CarbonylContact O-C 3.58Å; S650-K653 PolarHBondContact O-N 2.77Å; K653-S655 VanDerWaalsContact C-N 3.29Å; K653-S655 PolarHBondContact O-N 3.33Å; K653-K656 PolarHBondContact O-N 3.36Å; K653-K656 VanDerWaalsContact O-N 3.08Å; K653-N657 PolarHBondContact O-N 3.2Å
654	A	86.3	Confident	84.7	Confident	6 Å²	6	65.4 Å²	65.4	5%	0.05	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-38.6	176.1	0	0	0	0	0	111.1	S650 K656 N657 D658 L662	S650-A654 WeakPolarHBondContact O-CB 3.48Å; S650-A654 PolarHBondContact O-N 3.46Å; A654-K656 PolarHBondContact O-N 2.88Å; A654-K656 VanDerWaalsContact O-N 3.13Å; A654-N657 PolarHBondContact O-N 3.07Å; A654-D658 CarbonylContact O-C 2.84Å; A654-D658 PolarHBondContact O-N 2.96Å; A654-L662 HydrophobicContact CB-CB 3.99Å; A654-L662 HydrophobicContact CB-CD1 4.44Å
655	S	86.2	Confident	84.9	Confident	37 Å²	37	66.3 Å²	66.3	26%	0.259	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-22.9	175.7	78.3	0	0	0	0	114.6	L651 V652 K653	L651-S655 WeakPolarHBondContact O-CB 3.29Å; L651-S655 PolarHBondContact O-N 3.31Å; V652-S655 PolarHBondContact O-OG 3.01Å; K653-S655 VanDerWaalsContact C-N 3.29Å; K653-S655 PolarHBondContact O-N 3.33Å
656	K	81.5	Confident	85.4	Confident	168 Å²	168	64.8 Å²	64.8	73%	0.73	32%	0.324	S	S	*	.	H	α-helix	trans	-93.2	-31.4	175.5	-65.7	-178.2	-177.3	-179.9	0	113.3	K653 A654	K653-K656 PolarHBondContact O-N 3.36Å; K653-K656 VanDerWaalsContact O-N 3.08Å; A654-K656 PolarHBondContact O-N 2.88Å; A654-K656 VanDerWaalsContact O-N 3.13Å
657	N	84.5	Confident	85.8	Confident	136 Å²	136	68.6 Å²	68.6	73%	0.727	34%	0.337	S	S	*	.	H	α-helix	trans	-114	-36.4	-166.1	-63.4	-13.6	0	0	0	114.4	K653 A654	K653-N657 PolarHBondContact O-N 3.2Å; A654-N657 PolarHBondContact O-N 3.07Å
658	D	85	Confident	85.8	Confident	65 Å²	65	71 Å²	71	35%	0.348	35%	0.354	S	S	.	.			trans	-146.2	92.1	-174.1	-168.2	-23.9	0	0	0	111.3	A654 E660 E661 L662	A654-D658 CarbonylContact O-C 2.84Å; A654-D658 PolarHBondContact O-N 2.96Å; D658-E660 VanDerWaalsContact C-N 3.28Å; D658-E660 PolarHBondContact O-N 3.34Å; D658-E660 PolarHBondContact OD1-N 3.38Å; D658-E661 HydrophobicContact CB-CB 3.93Å; D658-E661 VanDerWaalsContact CG-CB 3.5Å; D658-E661 PolarHBondContact O-N 3.28Å; D658-E661 PolarHBondContact OD1-N 3.05Å; D658-L662 PolarHBondContact O-N 2.99Å; D658-L662 VanDerWaalsContact O-N 3.14Å
659	P	84	Confident	85.8	Confident	84 Å²	84	71.3 Å²	71.3	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-69	-21.7	-179.7	26.2	-32.4	0	0	0	113.7	E663	P659-E663 WeakPolarHBondContact O-CG 3.32Å; P659-E663 PolarHBondContact O-N 2.91Å
660	E	81.8	Confident	86	Confident	164 Å²	164	71.4 Å²	71.4	77%	0.766	36%	0.356	S	S	*	.	H	α-helix	trans	-75.7	-42.1	176.6	-68.2	-167.9	173.5	0	0	111.1	D658 L662 E663 K664	D658-E660 VanDerWaalsContact C-N 3.28Å; D658-E660 PolarHBondContact O-N 3.34Å; D658-E660 PolarHBondContact OD1-N 3.38Å; E660-L662 VanDerWaalsContact C-N 3.33Å; E660-E663 PolarHBondContact O-N 2.96Å; E660-K664 PolarHBondContact O-N 3.31Å; E660-K664 VanDerWaalsContact O-N 3.11Å
661	E	84.3	Confident	86	Confident	98 Å²	98	77.9 Å²	77.9	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-62	-42.5	173.9	-173.2	168.3	-142.6	0	0	111.1	D658 E663 K664 E665	D658-E661 HydrophobicContact CB-CB 3.93Å; D658-E661 VanDerWaalsContact CG-CB 3.5Å; D658-E661 PolarHBondContact O-N 3.28Å; D658-E661 PolarHBondContact OD1-N 3.05Å; E661-E663 PolarHBondContact O-N 3.34Å; E661-K664 WeakPolarHBondContact O-CB 2.93Å; E661-K664 PolarHBondContact O-N 3.28Å; E661-E665 PolarHBondContact O-N 2.99Å
662	L	86.4	Confident	85.7	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-55.3	-50.2	174.8	176.8	64.2	0	0	0	111.9	L651 A654 D658 E660 K664 E665 L666	L651-L662 HydrophobicContact CB-CD1 4.13Å; L651-L662 HydrophobicContact CD2-CD1 3.65Å; A654-L662 HydrophobicContact CB-CB 3.99Å; A654-L662 HydrophobicContact CB-CD1 4.44Å; D658-L662 PolarHBondContact O-N 2.99Å; D658-L662 VanDerWaalsContact O-N 3.14Å; E660-L662 VanDerWaalsContact C-N 3.33Å; L662-K664 VanDerWaalsContact C-N 3.29Å; L662-K664 PolarHBondContact O-N 2.85Å; L662-E665 PolarHBondContact O-N 3.3Å; L662-L666 HydrophobicContact CD1-CD1 3.81Å; L662-L666 HydrophobicContact CD1-CD2 4.47Å; L662-L666 HydrophobicContact CD1-CG 3.92Å; L662-L666 HydrophobicContact CD2-CD1 4.42Å; L662-L666 HydrophobicContact CG-CD1 3.8Å; L662-L666 HydrophobicContact CG-CG 4.28Å; L662-L666 WeakPolarHBondContact O-CB 3.3Å; L662-L666 VanDerWaalsContact O-CG 3.24Å; L662-L666 WeakPolarHBondContact O-CG 3.41Å; L662-L666 PolarHBondContact O-N 2.88Å
663	E	88.2	Confident	85.7	Confident	69 Å²	69	82 Å²	82	32%	0.322	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-33.5	-179	-76	-60.1	143.4	0	0	112.6	P659 E660 E661 K667 R696	P659-E663 WeakPolarHBondContact O-CG 3.32Å; P659-E663 PolarHBondContact O-N 2.91Å; E660-E663 PolarHBondContact O-N 2.96Å; E661-E663 PolarHBondContact O-N 3.34Å; E663-K667 WeakPolarHBondContact O-CB 3.33Å; E663-K667 WeakPolarHBondContact O-CG 3.42Å; E663-K667 PolarHBondContact O-N 3.05Å; E663-K667 VanDerWaalsContact O-N 3.08Å; E663-R696 IonicContact OE1-CZ 2.97Å; E663-R696 IonicContact OE1-NH1 3.28Å; E663-R696 PolarHBondContact OE1-NH1 2.71Å
664	K	86.3	Confident	85.6	Confident	164 Å²	164	85.8 Å²	85.8	71%	0.713	41%	0.414	S	S	*	.	H	α-helix	trans	-67.9	-45.6	175.3	-175.1	-177.5	174.3	-170.7	0	111.6	E660 E661 L662 S668	E660-K664 PolarHBondContact O-N 3.31Å; E660-K664 VanDerWaalsContact O-N 3.11Å; E661-K664 WeakPolarHBondContact O-CB 2.93Å; E661-K664 PolarHBondContact O-N 3.28Å; L662-K664 VanDerWaalsContact C-N 3.29Å; L662-K664 PolarHBondContact O-N 2.85Å; K664-S668 PolarHBondContact O-N 2.73Å; K664-S668 VanDerWaalsContact O-N 3.1Å
665	E	86.1	Confident	85.5	Confident	47 Å²	47	88.4 Å²	88.4	22%	0.22	43%	0.427	C	S	.	.	H	α-helix	trans	-64.6	-45	176.1	-74.3	-166.4	168.5	0	0	111.6	L651 E661 L662 K667 S668 I669	L651-E665 HydrophobicContact CD2-CB 3.77Å; L651-E665 VanDerWaalsContact CD2-OE2 3.27Å; L651-E665 WeakPolarHBondContact CD2-OE2 3.42Å; E661-E665 PolarHBondContact O-N 2.99Å; L662-E665 PolarHBondContact O-N 3.3Å; E665-K667 PolarHBondContact O-N 3.3Å; E665-S668 WeakPolarHBondContact O-CA 3.17Å; E665-S668 VanDerWaalsContact O-CB 3.3Å; E665-S668 WeakPolarHBondContact O-CB 3.49Å; E665-S668 PolarHBondContact O-N 2.85Å; E665-S668 VanDerWaalsContact O-N 3.1Å; E665-I669 WeakPolarHBondContact O-CG1 3.19Å; E665-I669 PolarHBondContact O-N 3.33Å
666	L	88.8	Confident	85.2	Confident	0 Å²	0	93.8 Å²	93.8	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-61.4	-43.2	179.2	-72.7	177.2	0	0	0	112.2	L651 L662 S668 I669 E670 V693 R696 V697 F700	L651-L666 HydrophobicContact CD1-CD2 4.24Å; L651-L666 HydrophobicContact CD2-CD2 3.86Å; L651-L666 HydrophobicContact CD2-CG 4.11Å; L662-L666 HydrophobicContact CD1-CD1 3.81Å; L662-L666 HydrophobicContact CD1-CD2 4.47Å; L662-L666 HydrophobicContact CD1-CG 3.92Å; L662-L666 HydrophobicContact CD2-CD1 4.42Å; L662-L666 HydrophobicContact CG-CD1 3.8Å; L662-L666 HydrophobicContact CG-CG 4.28Å; L662-L666 WeakPolarHBondContact O-CB 3.3Å; L662-L666 VanDerWaalsContact O-CG 3.24Å; L662-L666 WeakPolarHBondContact O-CG 3.41Å; L662-L666 PolarHBondContact O-N 2.88Å; L666-S668 VanDerWaalsContact C-N 3.31Å; L666-S668 PolarHBondContact O-N 3.48Å; L666-I669 PolarHBondContact O-N 3.34Å; L666-E670 WeakPolarHBondContact O-CB 3.37Å; L666-E670 PolarHBondContact O-N 2.94Å; L666-V693 HydrophobicContact CD2-CG1 4.29Å; L666-R696 HydrophobicContact CD1-CB 3.89Å; L666-R696 HydrophobicContact CD1-CG 4.45Å; L666-V697 HydrophobicContact CD2-CG2 3.85Å; L666-F700 HydrophobicContact CB-CE2 3.85Å; L666-F700 HydrophobicContact CB-CZ 3.87Å; L666-F700 HydrophobicContact CD2-CE2 4.07Å; L666-F700 HydrophobicContact CG-CE2 4.39Å
667	K	87.6	Confident	85.4	Confident	119 Å²	119	89 Å²	89	52%	0.517	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-34.1	173.8	-76.3	177.8	-176.8	171.5	0	112.8	E663 E665 K671	E663-K667 WeakPolarHBondContact O-CB 3.33Å; E663-K667 WeakPolarHBondContact O-CG 3.42Å; E663-K667 PolarHBondContact O-N 3.05Å; E663-K667 VanDerWaalsContact O-N 3.08Å; E665-K667 PolarHBondContact O-N 3.3Å; K667-K671 WeakPolarHBondContact O-CG 3.29Å; K667-K671 PolarHBondContact O-N 3.43Å
668	S	87	Confident	85.5	Confident	55 Å²	55	83.5 Å²	83.5	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-47	173.5	-175.8	0	0	0	0	110.8	K664 E665 L666 E670 K671 S672	K664-S668 PolarHBondContact O-N 2.73Å; K664-S668 VanDerWaalsContact O-N 3.1Å; E665-S668 WeakPolarHBondContact O-CA 3.17Å; E665-S668 VanDerWaalsContact O-CB 3.3Å; E665-S668 WeakPolarHBondContact O-CB 3.49Å; E665-S668 PolarHBondContact O-N 2.85Å; E665-S668 VanDerWaalsContact O-N 3.1Å; L666-S668 VanDerWaalsContact C-N 3.31Å; L666-S668 PolarHBondContact O-N 3.48Å; S668-E670 PolarHBondContact O-N 3.19Å; S668-K671 PolarHBondContact O-N 3.34Å; S668-S672 WeakPolarHBondContact O-CB 3.41Å; S668-S672 PolarHBondContact O-N 3.06Å; S668-S672 PolarHBondContact O-OG 3.12Å
669	I	86.2	Confident	85.4	Confident	6 Å²	6	83 Å²	83	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-62.7	-42.8	177.6	-68.1	167.2	0	0	0	110.8	T647 L651 E665 L666 K671 W673 K678 L681	T647-I669 HydrophobicContact CG2-CD1 3.92Å; L651-I669 HydrophobicContact CD1-CD1 3.76Å; L651-I669 HydrophobicContact CD2-CD1 4.2Å; L651-I669 HydrophobicContact CG-CD1 4.44Å; E665-I669 WeakPolarHBondContact O-CG1 3.19Å; E665-I669 PolarHBondContact O-N 3.33Å; L666-I669 PolarHBondContact O-N 3.34Å; I669-K671 VanDerWaalsContact C-N 3.31Å; I669-K671 PolarHBondContact O-N 3.35Å; I669-W673 HydrophobicContact CB-CD2 4.48Å; I669-W673 HydrophobicContact CB-CG 4.43Å; I669-W673 HydrophobicContact CG1-CD2 4.27Å; I669-W673 HydrophobicContact CG1-CZ2 4.38Å; I669-W673 HydrophobicContact CG2-CB 4.13Å; I669-W673 HydrophobicContact CG2-CD2 3.85Å; I669-W673 HydrophobicContact CG2-CE3 4.01Å; I669-W673 HydrophobicContact CG2-CG 3.93Å; I669-W673 VanDerWaalsContact O-CB 3.3Å; I669-W673 WeakPolarHBondContact O-CB 3.44Å; I669-W673 PolarHBondContact O-N 3.46Å; I669-K678 HydrophobicContact CG2-CG 4.46Å; I669-K678 VanDerWaalsContact O-CE 3.3Å; I669-K678 WeakPolarHBondContact O-CE 3.46Å; I669-L681 HydrophobicContact CD1-CD2 4.03Å; I669-L681 HydrophobicContact CG2-CD2 3.96Å
670	E	88.2	Confident	85.4	Confident	81 Å²	81	82.7 Å²	82.7	38%	0.379	38%	0.384	S	S	.	.	H	α-helix	trans	-55.1	-46.3	177.3	-179	179.6	-158.7	0	0	111.8	L666 S668 K678 F700	L666-E670 WeakPolarHBondContact O-CB 3.37Å; L666-E670 PolarHBondContact O-N 2.94Å; S668-E670 PolarHBondContact O-N 3.19Å; E670-K678 WeakPolarHBondContact O-CE 3.46Å; E670-K678 PolarHBondContact O-NZ 3.11Å; E670-F700 HydrophobicContact CB-CB 4.41Å; E670-F700 HydrophobicContact CB-CD1 4.1Å; E670-F700 HydrophobicContact CB-CD2 4.24Å; E670-F700 HydrophobicContact CB-CE1 4.47Å; E670-F700 HydrophobicContact CB-CG 4Å; E670-F700 VanDerWaalsContact CD-CD1 3.42Å; E670-F700 HydrophobicContact CG-CB 4.05Å; E670-F700 HydrophobicContact CG-CD1 3.87Å; E670-F700 HydrophobicContact CG-CG 3.97Å
671	K	85.9	Confident	85.7	Confident	183 Å²	183	74.9 Å²	74.9	80%	0.796	35%	0.348	S	S	*	.	H	α-helix	trans	-80.6	-37.6	-176.4	-69	179.5	-179.3	-179.1	0	113.8	K667 S668 I669	K667-K671 WeakPolarHBondContact O-CG 3.29Å; K667-K671 PolarHBondContact O-N 3.43Å; S668-K671 PolarHBondContact O-N 3.34Å; I669-K671 VanDerWaalsContact C-N 3.31Å; I669-K671 PolarHBondContact O-N 3.35Å
672	S	83.7	Confident	85.9	Confident	75 Å²	75	70.2 Å²	70.2	52%	0.524	33%	0.326	S	S	.	.	H	α-helix	trans	-98.2	-29	-168.2	64.7	0	0	0	0	114.1	S668	S668-S672 WeakPolarHBondContact O-CB 3.41Å; S668-S672 PolarHBondContact O-N 3.06Å; S668-S672 PolarHBondContact O-OG 3.12Å
673	W	86.1	Confident	85.9	Confident	35 Å²	35	70.9 Å²	70.9	13%	0.133	33%	0.331	C	S	.	.	S	Bend	trans	-87.3	135.7	-173.5	-72.1	26.2	0	0	0	112	I644 T647 I669 K677 K678 L681	I644-W673 HydrophobicContact CG1-CH2 4.12Å; I644-W673 HydrophobicContact CG1-CZ3 4.06Å; I644-W673 HydrophobicContact CG2-CH2 4.48Å; I644-W673 HydrophobicContact CG2-CZ3 4.2Å; T647-W673 HydrophobicContact CG2-CH2 3.9Å; T647-W673 HydrophobicContact CG2-CZ2 4Å; I669-W673 HydrophobicContact CB-CD2 4.48Å; I669-W673 HydrophobicContact CB-CG 4.43Å; I669-W673 HydrophobicContact CG1-CD2 4.27Å; I669-W673 HydrophobicContact CG1-CZ2 4.38Å; I669-W673 HydrophobicContact CG2-CB 4.13Å; I669-W673 HydrophobicContact CG2-CD2 3.85Å; I669-W673 HydrophobicContact CG2-CE3 4.01Å; I669-W673 HydrophobicContact CG2-CG 3.93Å; I669-W673 VanDerWaalsContact O-CB 3.3Å; I669-W673 WeakPolarHBondContact O-CB 3.44Å; I669-W673 PolarHBondContact O-N 3.46Å; W673-K677 HydrophobicContact CB-CB 4.33Å; W673-K677 HydrophobicContact CD2-CB 4.32Å; W673-K677 HydrophobicContact CD2-CD 3.56Å; W673-K677 HydrophobicContact CD2-CG 3.97Å; W673-K677 HydrophobicContact CE3-CB 3.81Å; W673-K677 HydrophobicContact CE3-CD 3.57Å; W673-K677 HydrophobicContact CE3-CG 3.44Å; W673-K677 VanDerWaalsContact CE3-CG 3.44Å; W673-K677 HydrophobicContact CG-CD 4.02Å; W673-K677 HydrophobicContact CH2-CD 4.28Å; W673-K677 HydrophobicContact CH2-CG 4.49Å; W673-K677 HydrophobicContact CZ2-CD 4.29Å; W673-K677 HydrophobicContact CZ3-CB 4.49Å; W673-K677 HydrophobicContact CZ3-CD 3.92Å; W673-K677 HydrophobicContact CZ3-CG 3.73Å; W673-K678 HydrophobicContact CB-CG 4.02Å; W673-K678 VanDerWaalsContact O-CE 3.22Å; W673-K678 WeakPolarHBondContact O-CE 3.46Å; W673-L681 HydrophobicContact CE3-CD2 4.36Å; W673-L681 HydrophobicContact CZ3-CB 4.02Å; W673-L681 HydrophobicContact CZ3-CD1 4.29Å; W673-L681 HydrophobicContact CZ3-CD2 4.04Å; W673-L681 HydrophobicContact CZ3-CG 4.35Å
674	R	84	Confident	85.8	Confident	210 Å²	210	69.4 Å²	69.4	79%	0.792	32%	0.322	S	S	*	.			trans	-65.5	152.6	170	-64.2	-177.2	-179.5	166.7	1.2	110.5	Q676 K677 K678	R674-Q676 VanDerWaalsContact C-N 3.25Å; R674-Q676 PolarHBondContact O-N 2.93Å; R674-Q676 VanDerWaalsContact O-N 3.14Å; R674-K677 WeakPolarHBondContact O-CB 3.4Å; R674-K677 PolarHBondContact O-N 3.4Å; R674-K678 PolarHBondContact O-N 2.94Å; R674-K678 VanDerWaalsContact O-N 3.16Å
675	L	82.8	Confident	85.9	Confident	60 Å²	60	61.6 Å²	61.6	31%	0.314	29%	0.289	S	S	.	.	H	α-helix	trans	-50.3	-42.2	-178.5	-168.6	70.5	0	0	0	113.3	K677 K678 F679 L701 P702	L675-K677 PolarHBondContact O-N 3.43Å; L675-K678 WeakPolarHBondContact O-CB 3.38Å; L675-K678 PolarHBondContact O-N 3.48Å; L675-F679 HydrophobicContact CD1-CE1 3.97Å; L675-F679 HydrophobicContact CD1-CZ 3.77Å; L675-F679 HydrophobicContact CD2-CE2 3.84Å; L675-F679 HydrophobicContact CD2-CZ 3.59Å; L675-F679 HydrophobicContact CG-CD2 4.44Å; L675-F679 HydrophobicContact CG-CE1 3.99Å; L675-F679 HydrophobicContact CG-CE2 3.65Å; L675-F679 HydrophobicContact CG-CZ 3.37Å; L675-F679 WeakPolarHBondContact O-CG 3.42Å; L675-F679 PolarHBondContact O-N 3.05Å; L675-L701 HydrophobicContact CD1-CD2 3.67Å; L675-P702 HydrophobicContact CD1-CG 4.27Å
676	Q	81.1	Confident	86.1	Confident	150 Å²	150	59.3 Å²	59.3	70%	0.701	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-40.4	177	-68.1	175.9	-14	0	0	113.2	R674 K678 F679 I680	R674-Q676 VanDerWaalsContact C-N 3.25Å; R674-Q676 PolarHBondContact O-N 2.93Å; R674-Q676 VanDerWaalsContact O-N 3.14Å; Q676-K678 VanDerWaalsContact C-N 3.3Å; Q676-K678 PolarHBondContact O-N 3.06Å; Q676-F679 PolarHBondContact O-N 3.47Å; Q676-I680 WeakPolarHBondContact O-CG1 3.38Å; Q676-I680 PolarHBondContact O-N 3.06Å; Q676-I680 VanDerWaalsContact O-N 3.11Å
677	K	84.5	Confident	85.9	Confident	69 Å²	69	60.2 Å²	60.2	30%	0.3	28%	0.283	S	S	.	.	H	α-helix	trans	-67.2	-36.1	178.4	-151.8	-177.2	172.9	-174.6	0	110.2	I644 W673 R674 L675 I680 L681	I644-K677 HydrophobicContact CD1-CD 4.42Å; I644-K677 HydrophobicContact CD1-CG 3.54Å; I644-K677 HydrophobicContact CG1-CD 4.44Å; I644-K677 HydrophobicContact CG1-CG 3.96Å; W673-K677 HydrophobicContact CB-CB 4.33Å; W673-K677 HydrophobicContact CD2-CB 4.32Å; W673-K677 HydrophobicContact CD2-CD 3.56Å; W673-K677 HydrophobicContact CD2-CG 3.97Å; W673-K677 HydrophobicContact CE3-CB 3.81Å; W673-K677 HydrophobicContact CE3-CD 3.57Å; W673-K677 HydrophobicContact CE3-CG 3.44Å; W673-K677 VanDerWaalsContact CE3-CG 3.44Å; W673-K677 HydrophobicContact CG-CD 4.02Å; W673-K677 HydrophobicContact CH2-CD 4.28Å; W673-K677 HydrophobicContact CH2-CG 4.49Å; W673-K677 HydrophobicContact CZ2-CD 4.29Å; W673-K677 HydrophobicContact CZ3-CB 4.49Å; W673-K677 HydrophobicContact CZ3-CD 3.92Å; W673-K677 HydrophobicContact CZ3-CG 3.73Å; R674-K677 WeakPolarHBondContact O-CB 3.4Å; R674-K677 PolarHBondContact O-N 3.4Å; L675-K677 PolarHBondContact O-N 3.43Å; K677-I680 PolarHBondContact O-N 3.13Å; K677-L681 WeakPolarHBondContact O-CB 3.34Å; K677-L681 PolarHBondContact O-N 3.34Å
678	K	87.1	Confident	85.8	Confident	19 Å²	19	57.7 Å²	57.7	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-40	173.1	-62.6	178.6	177	175.6	0	112.6	I669 E670 W673 R674 L675 Q676 L681 L682 L701	I669-K678 HydrophobicContact CG2-CG 4.46Å; I669-K678 VanDerWaalsContact O-CE 3.3Å; I669-K678 WeakPolarHBondContact O-CE 3.46Å; E670-K678 WeakPolarHBondContact O-CE 3.46Å; E670-K678 PolarHBondContact O-NZ 3.11Å; W673-K678 HydrophobicContact CB-CG 4.02Å; W673-K678 VanDerWaalsContact O-CE 3.22Å; W673-K678 WeakPolarHBondContact O-CE 3.46Å; R674-K678 PolarHBondContact O-N 2.94Å; R674-K678 VanDerWaalsContact O-N 3.16Å; L675-K678 WeakPolarHBondContact O-CB 3.38Å; L675-K678 PolarHBondContact O-N 3.48Å; Q676-K678 VanDerWaalsContact C-N 3.3Å; Q676-K678 PolarHBondContact O-N 3.06Å; K678-L681 WeakPolarHBondContact O-CB 3.39Å; K678-L681 PolarHBondContact O-N 3.01Å; K678-L682 WeakPolarHBondContact O-CB 3.32Å; K678-L682 PolarHBondContact O-N 3.23Å; K678-L701 HydrophobicContact CB-CD2 4.05Å; K678-L701 HydrophobicContact CD-CD2 4.24Å
679	F	84.4	Confident	85.7	Confident	54 Å²	54	55.2 Å²	55.2	24%	0.237	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-41.8	174.9	-63.9	-29.9	0	0	0	112.7	L675 Q676 L682 S683 L701 H705 L709	L675-F679 HydrophobicContact CD1-CE1 3.97Å; L675-F679 HydrophobicContact CD1-CZ 3.77Å; L675-F679 HydrophobicContact CD2-CE2 3.84Å; L675-F679 HydrophobicContact CD2-CZ 3.59Å; L675-F679 HydrophobicContact CG-CD2 4.44Å; L675-F679 HydrophobicContact CG-CE1 3.99Å; L675-F679 HydrophobicContact CG-CE2 3.65Å; L675-F679 HydrophobicContact CG-CZ 3.37Å; L675-F679 WeakPolarHBondContact O-CG 3.42Å; L675-F679 PolarHBondContact O-N 3.05Å; Q676-F679 PolarHBondContact O-N 3.47Å; F679-L682 WeakPolarHBondContact O-CB 3.38Å; F679-L682 PolarHBondContact O-N 2.73Å; F679-S683 PolarHBondContact O-N 3.2Å; F679-S683 VanDerWaalsContact O-N 3.1Å; F679-S683 PolarHBondContact O-OG 3.48Å; F679-L701 HydrophobicContact CD1-CD1 4.21Å; F679-L701 HydrophobicContact CD1-CD2 4.15Å; F679-L701 HydrophobicContact CE1-CD1 3.96Å; F679-L701 HydrophobicContact CE1-CD2 3.79Å; F679-L701 HydrophobicContact CE1-CG 4.45Å; F679-H705 HydrophobicContact CE1-CB 4.19Å; F679-H705 HydrophobicContact CZ-CB 4.13Å; F679-H705 AromaticContact CZ-CD2 3.3Å; F679-H705 WeakPolarHBondContact CZ-CD2 3.42Å; F679-H705 AromaticContact CZ-CG 3.81Å; F679-H705 AromaticContact CZ-NE2 3.94Å; F679-L709 HydrophobicContact CD1-CD1 3.65Å; F679-L709 HydrophobicContact CE1-CD1 3.57Å; F679-L709 HydrophobicContact CZ-CD1 4.47Å
680	I	83.4	Confident	85.8	Confident	78 Å²	78	55.5 Å²	55.5	40%	0.4	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-48	175.5	-61.5	166.1	0	0	0	109	I644 Q676 K677 L682 S683 Y684	I644-I680 HydrophobicContact CB-CG2 4.5Å; I644-I680 HydrophobicContact CD1-CB 3.96Å; I644-I680 HydrophobicContact CD1-CD1 4.17Å; I644-I680 HydrophobicContact CD1-CG2 3.73Å; I644-I680 HydrophobicContact CG2-CG2 4Å; Q676-I680 WeakPolarHBondContact O-CG1 3.38Å; Q676-I680 PolarHBondContact O-N 3.06Å; Q676-I680 VanDerWaalsContact O-N 3.11Å; K677-I680 PolarHBondContact O-N 3.13Å; I680-L682 VanDerWaalsContact C-N 3.26Å; I680-L682 PolarHBondContact O-N 3.5Å; I680-S683 PolarHBondContact O-N 2.89Å; I680-S683 VanDerWaalsContact O-N 3.11Å; I680-Y684 HydrophobicContact CG2-CD2 3.8Å; I680-Y684 HydrophobicContact CG2-CE2 3.64Å; I680-Y684 VanDerWaalsContact O-CD2 3.29Å; I680-Y684 WeakPolarHBondContact O-CD2 3.35Å; I680-Y684 PolarHBondContact O-N 3.21Å; I680-Y684 VanDerWaalsContact O-N 3.08Å
681	L	87.8	Confident	85.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-52.7	-45.2	175.4	-176.5	64.9	0	0	0	112	I644 A648 L651 I669 W673 K677 K678 S683 Y684 L685 V697	I644-L681 HydrophobicContact CG2-CB 4.09Å; I644-L681 HydrophobicContact CG2-CD1 4.07Å; A648-L681 HydrophobicContact CB-CD1 3.84Å; L651-L681 HydrophobicContact CD1-CD1 4.11Å; L651-L681 HydrophobicContact CD1-CD2 4.06Å; I669-L681 HydrophobicContact CD1-CD2 4.03Å; I669-L681 HydrophobicContact CG2-CD2 3.96Å; W673-L681 HydrophobicContact CE3-CD2 4.36Å; W673-L681 HydrophobicContact CZ3-CB 4.02Å; W673-L681 HydrophobicContact CZ3-CD1 4.29Å; W673-L681 HydrophobicContact CZ3-CD2 4.04Å; W673-L681 HydrophobicContact CZ3-CG 4.35Å; K677-L681 WeakPolarHBondContact O-CB 3.34Å; K677-L681 PolarHBondContact O-N 3.34Å; K678-L681 WeakPolarHBondContact O-CB 3.39Å; K678-L681 PolarHBondContact O-N 3.01Å; L681-S683 PolarHBondContact O-N 3.2Å; L681-Y684 WeakPolarHBondContact O-CB 3.44Å; L681-Y684 PolarHBondContact O-N 3.49Å; L681-Y684 VanDerWaalsContact O-N 3.1Å; L681-L685 HydrophobicContact CD1-CD1 4.4Å; L681-L685 HydrophobicContact CD1-CG 4.37Å; L681-L685 HydrophobicContact CD2-CD1 4.44Å; L681-L685 HydrophobicContact CG-CD1 3.91Å; L681-L685 HydrophobicContact CG-CG 4.31Å; L681-L685 WeakPolarHBondContact O-CG 3.29Å; L681-L685 PolarHBondContact O-N 3.24Å; L681-V697 HydrophobicContact CD2-CG2 4.36Å
682	L	88.7	Confident	86	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-47.9	177.9	-166.3	70.9	0	0	0	111.6	K678 F679 I680 Y684 L685 V686 V694 V697 L698 L701 L709 M712	K678-L682 WeakPolarHBondContact O-CB 3.32Å; K678-L682 PolarHBondContact O-N 3.23Å; F679-L682 WeakPolarHBondContact O-CB 3.38Å; F679-L682 PolarHBondContact O-N 2.73Å; I680-L682 VanDerWaalsContact C-N 3.26Å; I680-L682 PolarHBondContact O-N 3.5Å; L682-Y684 VanDerWaalsContact C-N 3.26Å; L682-Y684 PolarHBondContact O-N 3.34Å; L682-L685 PolarHBondContact O-N 3.32Å; L682-V686 WeakPolarHBondContact O-CG2 3.35Å; L682-V686 PolarHBondContact O-N 2.77Å; L682-V694 HydrophobicContact CD1-CB 4.34Å; L682-V694 HydrophobicContact CD1-CG1 3.83Å; L682-V694 HydrophobicContact CD1-CG2 4.46Å; L682-V697 HydrophobicContact CD1-CB 4.18Å; L682-V697 HydrophobicContact CD1-CG1 4.05Å; L682-L698 HydrophobicContact CD1-CD2 4.17Å; L682-L698 HydrophobicContact CD1-CG 4Å; L682-L698 HydrophobicContact CD2-CD2 3.64Å; L682-L698 HydrophobicContact CD2-CG 4.37Å; L682-L701 HydrophobicContact CD2-CD1 4.34Å; L682-L709 HydrophobicContact CD2-CB 4.11Å; L682-L709 HydrophobicContact CD2-CD1 4.08Å; L682-M712 HydrophobicContact CD2-SD 3.49Å; L682-M712 WeakPolarHBondContact CD2-SD 3.35Å; L682-M712 HydrophobicContact CG-SD 3.9Å
683	S	85.8	Confident	86.3	Confident	14 Å²	14	44.6 Å²	44.6	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-32.6	176.3	-56.3	0	0	0	0	113.2	F679 I680 L681 N687	F679-S683 PolarHBondContact O-N 3.2Å; F679-S683 VanDerWaalsContact O-N 3.1Å; F679-S683 PolarHBondContact O-OG 3.48Å; I680-S683 PolarHBondContact O-N 2.89Å; I680-S683 VanDerWaalsContact O-N 3.11Å; L681-S683 PolarHBondContact O-N 3.2Å; S683-N687 WeakPolarHBondContact O-CB 3.48Å; S683-N687 PolarHBondContact O-N 3.2Å; S683-N687 VanDerWaalsContact O-N 3.12Å
684	Y	86.4	Confident	86.5	Confident	37 Å²	37	43 Å²	43	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-72.1	-42.1	174.6	-87.2	-97.4	0	0	0	112.5	I644 P645 I680 L681 L682 V686 N687 L688 R827	I644-Y684 HydrophobicContact CG2-CD2 4.31Å; P645-Y684 HydrophobicContact CB-CD1 3.98Å; P645-Y684 HydrophobicContact CB-CE1 3.56Å; P645-Y684 HydrophobicContact CG-CD1 4.23Å; P645-Y684 HydrophobicContact CG-CE1 3.44Å; P645-Y684 VanDerWaalsContact CG-CE1 3.44Å; I680-Y684 HydrophobicContact CG2-CD2 3.8Å; I680-Y684 HydrophobicContact CG2-CE2 3.64Å; I680-Y684 VanDerWaalsContact O-CD2 3.29Å; I680-Y684 WeakPolarHBondContact O-CD2 3.35Å; I680-Y684 PolarHBondContact O-N 3.21Å; I680-Y684 VanDerWaalsContact O-N 3.08Å; L681-Y684 WeakPolarHBondContact O-CB 3.44Å; L681-Y684 PolarHBondContact O-N 3.49Å; L681-Y684 VanDerWaalsContact O-N 3.1Å; L682-Y684 VanDerWaalsContact C-N 3.26Å; L682-Y684 PolarHBondContact O-N 3.34Å; Y684-V686 VanDerWaalsContact C-N 3.35Å; Y684-N687 WeakPolarHBondContact O-CA 3.35Å; Y684-N687 WeakPolarHBondContact O-CB 3.39Å; Y684-N687 PolarHBondContact O-N 3.1Å; Y684-L688 WeakPolarHBondContact O-CG 3.45Å; Y684-L688 PolarHBondContact O-N 3Å; Y684-R827 VanDerWaalsContact CZ-NH1 3.29Å; Y684-R827 VanDerWaalsContact CZ-NH2 3.32Å; Y684-R827 PolarHBondContact OH-NH1 2.99Å; Y684-R827 PolarHBondContact OH-NH2 3.16Å
685	L	89.4	Confident	86.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-37.8	177.2	-68.5	169.4	0	0	0	112.2	A648 L651 V652 L681 L682 N687 L688 G689 S690 V693 V694 V697	A648-L685 HydrophobicContact CB-CD2 4.1Å; A648-L685 HydrophobicContact CB-CG 4.42Å; L651-L685 HydrophobicContact CB-CD2 4.43Å; V652-L685 HydrophobicContact CG2-CD2 3.82Å; L681-L685 HydrophobicContact CD1-CD1 4.4Å; L681-L685 HydrophobicContact CD1-CG 4.37Å; L681-L685 HydrophobicContact CD2-CD1 4.44Å; L681-L685 HydrophobicContact CG-CD1 3.91Å; L681-L685 HydrophobicContact CG-CG 4.31Å; L681-L685 WeakPolarHBondContact O-CG 3.29Å; L681-L685 PolarHBondContact O-N 3.24Å; L682-L685 PolarHBondContact O-N 3.32Å; L685-N687 VanDerWaalsContact C-N 3.33Å; L685-L688 PolarHBondContact O-N 3.09Å; L685-G689 PolarHBondContact O-N 3.04Å; L685-S690 PolarHBondContact O-N 3.22Å; L685-S690 VanDerWaalsContact O-N 3.08Å; L685-V693 HydrophobicContact CD1-CB 4.41Å; L685-V693 HydrophobicContact CD1-CG1 3.7Å; L685-V693 HydrophobicContact CD2-CB 4.19Å; L685-V693 HydrophobicContact CD2-CG1 3.75Å; L685-V693 HydrophobicContact CG-CG1 4.35Å; L685-V694 HydrophobicContact CB-CG2 3.6Å; L685-V697 HydrophobicContact CD1-CB 4.37Å; L685-V697 HydrophobicContact CD1-CG2 3.7Å
686	V	89.4	Confident	87.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-44.8	171.2	173.4	0	0	0	0	110.3	L682 Y684 L688 G689 V694 M712 I715 A716 I719 H759	L682-V686 WeakPolarHBondContact O-CG2 3.35Å; L682-V686 PolarHBondContact O-N 2.77Å; Y684-V686 VanDerWaalsContact C-N 3.35Å; V686-L688 VanDerWaalsContact C-N 3.27Å; V686-L688 PolarHBondContact O-N 2.92Å; V686-G689 PolarHBondContact O-N 2.95Å; V686-V694 HydrophobicContact CG2-CG1 4.19Å; V686-V694 HydrophobicContact CG2-CG2 3.77Å; V686-M712 HydrophobicContact CG2-CB 3.81Å; V686-M712 HydrophobicContact CG2-CG 4.46Å; V686-M712 HydrophobicContact CG2-SD 4.33Å; V686-I715 HydrophobicContact CG1-CB 3.99Å; V686-I715 HydrophobicContact CG1-CG2 3.4Å; V686-A716 HydrophobicContact CG1-CB 4.38Å; V686-A716 HydrophobicContact CG2-CB 4.4Å; V686-I719 HydrophobicContact CG1-CD1 4.2Å; V686-I719 WeakPolarHBondContact O-CD1 3.23Å; V686-H759 HydrophobicContact CB-CB 4.43Å; V686-H759 HydrophobicContact CG1-CB 3.96Å
687	N	84.6	Confident	87.6	Confident	19 Å²	19	28.2 Å²	28.2	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-56.9	-38.3	175.1	-109.5	-34.9	0	0	0	113.3	S683 Y684 L685 G689 P758 H759 T762	S683-N687 WeakPolarHBondContact O-CB 3.48Å; S683-N687 PolarHBondContact O-N 3.2Å; S683-N687 VanDerWaalsContact O-N 3.12Å; Y684-N687 WeakPolarHBondContact O-CA 3.35Å; Y684-N687 WeakPolarHBondContact O-CB 3.39Å; Y684-N687 PolarHBondContact O-N 3.1Å; L685-N687 VanDerWaalsContact C-N 3.33Å; N687-G689 PolarHBondContact O-N 3.48Å; N687-P758 PolarHBondContact ND2-O 3.27Å; N687-H759 HydrophobicContact CB-CB 4.46Å; N687-H759 VanDerWaalsContact CG-CA 3.5Å; N687-H759 WeakPolarHBondContact ND2-CA 3.5Å; N687-H759 PolarHBondContact ND2-N 3.44Å; N687-H759 WeakPolarHBondContact OD1-CA 3.16Å; N687-T762 WeakPolarHBondContact OD1-CB 3.3Å; N687-T762 PolarHBondContact OD1-OG1 3.23Å
688	L	85	Confident	87.9	Confident	65 Å²	65	25.3 Å²	25.3	34%	0.34	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-0.3	176.6	-66	172.7	0	0	0	113.2	A648 E649 V652 Y684 L685 V686 S690	A648-L688 HydrophobicContact CB-CD1 3.99Å; E649-L688 HydrophobicContact CG-CD1 4.12Å; E649-L688 HydrophobicContact CG-CD2 4.49Å; V652-L688 HydrophobicContact CB-CD1 4.41Å; V652-L688 HydrophobicContact CG2-CB 4.18Å; V652-L688 HydrophobicContact CG2-CD1 3.79Å; Y684-L688 WeakPolarHBondContact O-CG 3.45Å; Y684-L688 PolarHBondContact O-N 3Å; L685-L688 PolarHBondContact O-N 3.09Å; V686-L688 VanDerWaalsContact C-N 3.27Å; V686-L688 PolarHBondContact O-N 2.92Å; L688-S690 PolarHBondContact O-N 2.93Å
689	G	86	Confident	88	Confident	4 Å²	4	31.7 Å²	31.7	4%	0.041	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	22.3	-177.8	0	0	0	0	0	113.8	L685 V686 N687 E691 K720	L685-G689 PolarHBondContact O-N 3.04Å; V686-G689 PolarHBondContact O-N 2.95Å; N687-G689 PolarHBondContact O-N 3.48Å; G689-E691 PolarHBondContact O-N 2.89Å; G689-K720 VanDerWaalsContact O-CB 3.26Å; G689-K720 WeakPolarHBondContact O-CB 3.45Å; G689-K720 WeakPolarHBondContact O-CG 3.42Å
690	S	88.1	Confident	88	Confident	12 Å²	12	30.9 Å²	30.9	8%	0.084	14%	0.144	C	C	.	.			trans	-91.5	77.5	-174	-175	0	0	0	0	112.3	V652 L685 L688 D692 V693 V694	V652-S690 VanDerWaalsContact CG2-CB 3.47Å; L685-S690 PolarHBondContact O-N 3.22Å; L685-S690 VanDerWaalsContact O-N 3.08Å; L688-S690 PolarHBondContact O-N 2.93Å; S690-D692 PolarHBondContact O-N 3.19Å; S690-V693 PolarHBondContact O-N 3.38Å; S690-V693 WeakPolarHBondContact OG-CB 3.36Å; S690-V693 WeakPolarHBondContact OG-CG2 3.17Å; S690-V694 VanDerWaalsContact O-CG2 3.28Å; S690-V694 WeakPolarHBondContact O-CG2 3.43Å; S690-V694 PolarHBondContact O-N 3.31Å
691	E	88.7	Confident	88.1	Confident	41 Å²	41	27.5 Å²	27.5	19%	0.192	13%	0.127	C	C	.	.	H	α-helix	trans	-53.3	-45	-177.3	-169.1	-172.7	163.8	0	0	114	G689 V694 E695 K713 A716 H717 K720	G689-E691 PolarHBondContact O-N 2.89Å; E691-V694 PolarHBondContact O-N 3.42Å; E691-E695 PolarHBondContact O-N 3.44Å; E691-K713 HydrophobicContact CG-CD 4.46Å; E691-K713 HydrophobicContact CG-CG 3.76Å; E691-K713 WeakPolarHBondContact OE1-CE 3.44Å; E691-K713 IonicContact OE1-NZ 3.6Å; E691-A716 HydrophobicContact CB-CB 4.49Å; E691-H717 IonicContact OE1-ND1 2.85Å; E691-H717 IonicContact OE2-CE1 3.52Å; E691-H717 IonicContact OE2-CG 3.5Å; E691-H717 IonicContact OE2-ND1 3.55Å; E691-H717 PolarHBondContact OE2-ND1 3.2Å; E691-K720 HydrophobicContact CB-CD 4.47Å
692	D	88.5	Confident	88	Confident	69 Å²	69	30.8 Å²	30.8	37%	0.369	15%	0.148	S	C	.	.	H	α-helix	trans	-64	-48.1	-178.2	177.2	25.9	0	0	0	111.8	S690 V694 E695 R696	S690-D692 PolarHBondContact O-N 3.19Å; D692-V694 VanDerWaalsContact C-N 3.34Å; D692-V694 PolarHBondContact O-N 3.31Å; D692-E695 WeakPolarHBondContact O-CB 3.34Å; D692-E695 PolarHBondContact O-N 3.43Å; D692-R696 WeakPolarHBondContact O-CG 3.45Å; D692-R696 PolarHBondContact O-N 3.13Å; D692-R696 IonicContact OD1-CZ 3.96Å; D692-R696 IonicContact OD1-NE 3.92Å; D692-R696 PolarHBondContact OD1-NE 2.96Å; D692-R696 IonicContact OD1-NH2 2.69Å; D692-R696 PolarHBondContact OD1-NH2 3.36Å; D692-R696 IonicContact OD2-CZ 3.69Å; D692-R696 IonicContact OD2-NE 2.94Å; D692-R696 IonicContact OD2-NH2 3.36Å; D692-R696 PolarHBondContact OD2-NH2 2.95Å
693	V	90.5	Very high	87.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.8	-36	179.7	-170.3	0	0	0	0	111.1	L651 L666 L685 S690 E695 R696 V697	L651-V693 HydrophobicContact CB-CG1 4.13Å; L666-V693 HydrophobicContact CD2-CG1 4.29Å; L685-V693 HydrophobicContact CD1-CB 4.41Å; L685-V693 HydrophobicContact CD1-CG1 3.7Å; L685-V693 HydrophobicContact CD2-CB 4.19Å; L685-V693 HydrophobicContact CD2-CG1 3.75Å; L685-V693 HydrophobicContact CG-CG1 4.35Å; S690-V693 PolarHBondContact O-N 3.38Å; S690-V693 WeakPolarHBondContact OG-CB 3.36Å; S690-V693 WeakPolarHBondContact OG-CG2 3.17Å; V693-E695 VanDerWaalsContact C-N 3.34Å; V693-E695 PolarHBondContact O-N 3.4Å; V693-R696 PolarHBondContact O-N 3.03Å; V693-V697 HydrophobicContact CG1-CG2 4.43Å; V693-V697 WeakPolarHBondContact O-CG2 3.26Å; V693-V697 PolarHBondContact O-N 3.15Å
694	V	91.1	Very high	87.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.1	-47	171.8	167.2	0	0	0	0	110.4	L682 L685 V686 S690 E691 D692 R696 V697 L698 A716	L682-V694 HydrophobicContact CD1-CB 4.34Å; L682-V694 HydrophobicContact CD1-CG1 3.83Å; L682-V694 HydrophobicContact CD1-CG2 4.46Å; L685-V694 HydrophobicContact CB-CG2 3.6Å; V686-V694 HydrophobicContact CG2-CG1 4.19Å; V686-V694 HydrophobicContact CG2-CG2 3.77Å; S690-V694 VanDerWaalsContact O-CG2 3.28Å; S690-V694 WeakPolarHBondContact O-CG2 3.43Å; S690-V694 PolarHBondContact O-N 3.31Å; E691-V694 PolarHBondContact O-N 3.42Å; D692-V694 VanDerWaalsContact C-N 3.34Å; D692-V694 PolarHBondContact O-N 3.31Å; V694-R696 PolarHBondContact O-N 3.35Å; V694-V697 PolarHBondContact O-N 2.89Å; V694-L698 HydrophobicContact CG1-CD1 4.05Å; V694-L698 HydrophobicContact CG1-CG 4.44Å; V694-L698 WeakPolarHBondContact O-CB 3.26Å; V694-L698 VanDerWaalsContact O-CG 3.32Å; V694-L698 WeakPolarHBondContact O-CG 3.5Å; V694-L698 PolarHBondContact O-N 3.07Å; V694-A716 HydrophobicContact CG2-CB 4.19Å
695	E	91.5	Very high	87.3	Confident	56 Å²	56	42.9 Å²	42.9	26%	0.262	21%	0.208	S	C	.	.	H	α-helix	trans	-61.4	-43.5	177.8	-175.5	175.2	163	0	0	112.2	E691 D692 V693 L698 R699 K713	E691-E695 PolarHBondContact O-N 3.44Å; D692-E695 WeakPolarHBondContact O-CB 3.34Å; D692-E695 PolarHBondContact O-N 3.43Å; V693-E695 VanDerWaalsContact C-N 3.34Å; V693-E695 PolarHBondContact O-N 3.4Å; E695-L698 PolarHBondContact O-N 3.19Å; E695-R699 WeakPolarHBondContact O-CG 3.26Å; E695-R699 PolarHBondContact O-N 3.12Å; E695-R699 IonicContact OE1-CZ 3.31Å; E695-R699 IonicContact OE1-NE 2.65Å; E695-R699 IonicContact OE1-NH2 3.1Å; E695-R699 PolarHBondContact OE1-NH2 3.17Å; E695-K713 WeakPolarHBondContact OE2-CE 3.48Å; E695-K713 IonicContact OE2-NZ 3.48Å; E695-K713 PolarHBondContact OE2-NZ 3.39Å
696	R	90.4	Very high	87.2	Confident	53 Å²	53	46.7 Å²	46.7	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-42.9	177.3	-64.4	-179.2	-161.3	-164	12.4	111.7	E663 L666 D692 V693 V694 R699 F700	E663-R696 IonicContact OE1-CZ 2.97Å; E663-R696 IonicContact OE1-NH1 3.28Å; E663-R696 PolarHBondContact OE1-NH1 2.71Å; L666-R696 HydrophobicContact CD1-CB 3.89Å; L666-R696 HydrophobicContact CD1-CG 4.45Å; D692-R696 WeakPolarHBondContact O-CG 3.45Å; D692-R696 PolarHBondContact O-N 3.13Å; D692-R696 IonicContact OD1-CZ 3.96Å; D692-R696 IonicContact OD1-NE 3.92Å; D692-R696 PolarHBondContact OD1-NE 2.96Å; D692-R696 IonicContact OD1-NH2 2.69Å; D692-R696 PolarHBondContact OD1-NH2 3.36Å; D692-R696 IonicContact OD2-CZ 3.69Å; D692-R696 IonicContact OD2-NE 2.94Å; D692-R696 IonicContact OD2-NH2 3.36Å; D692-R696 PolarHBondContact OD2-NH2 2.95Å; V693-R696 PolarHBondContact O-N 3.03Å; V694-R696 PolarHBondContact O-N 3.35Å; R696-R699 WeakPolarHBondContact O-CB 3.4Å; R696-R699 PolarHBondContact O-N 2.82Å; R696-F700 WeakPolarHBondContact O-CE2 3.42Å
697	V	89.1	Confident	86.9	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-36.9	177.3	175.2	0	0	0	0	112.2	L666 L681 L682 L685 V693 V694 R699 F700	L666-V697 HydrophobicContact CD2-CG2 3.85Å; L681-V697 HydrophobicContact CD2-CG2 4.36Å; L682-V697 HydrophobicContact CD1-CB 4.18Å; L682-V697 HydrophobicContact CD1-CG1 4.05Å; L685-V697 HydrophobicContact CD1-CB 4.37Å; L685-V697 HydrophobicContact CD1-CG2 3.7Å; V693-V697 HydrophobicContact CG1-CG2 4.43Å; V693-V697 WeakPolarHBondContact O-CG2 3.26Å; V693-V697 PolarHBondContact O-N 3.15Å; V694-V697 PolarHBondContact O-N 2.89Å; V697-R699 PolarHBondContact O-N 2.72Å; V697-F700 HydrophobicContact CG2-CE2 4.49Å; V697-F700 WeakPolarHBondContact O-CB 3.42Å; V697-F700 PolarHBondContact O-N 3.42Å; V697-F700 VanDerWaalsContact O-N 3.1Å
698	L	90	Very high	86.9	Confident	9 Å²	9	58.9 Å²	58.9	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-33.3	174.6	-78.4	173	0	0	0	112.4	L682 V694 E695 F700 L701 L709	L682-L698 HydrophobicContact CD1-CD2 4.17Å; L682-L698 HydrophobicContact CD1-CG 4Å; L682-L698 HydrophobicContact CD2-CD2 3.64Å; L682-L698 HydrophobicContact CD2-CG 4.37Å; V694-L698 HydrophobicContact CG1-CD1 4.05Å; V694-L698 HydrophobicContact CG1-CG 4.44Å; V694-L698 WeakPolarHBondContact O-CB 3.26Å; V694-L698 VanDerWaalsContact O-CG 3.32Å; V694-L698 WeakPolarHBondContact O-CG 3.5Å; V694-L698 PolarHBondContact O-N 3.07Å; E695-L698 PolarHBondContact O-N 3.19Å; L698-F700 PolarHBondContact O-N 3.48Å; L698-L701 HydrophobicContact CD2-CD1 3.95Å; L698-L701 PolarHBondContact O-N 2.82Å; L698-L709 HydrophobicContact CD2-CB 3.77Å
699	R	88.9	Confident	86.9	Confident	152 Å²	152	56.5 Å²	56.5	57%	0.574	26%	0.26	S	S	*	.	H	α-helix	trans	-66.4	-20.7	177.1	-66.9	172.5	-172.7	-174.1	2.7	113.1	E695 R696 V697	E695-R699 WeakPolarHBondContact O-CG 3.26Å; E695-R699 PolarHBondContact O-N 3.12Å; E695-R699 IonicContact OE1-CZ 3.31Å; E695-R699 IonicContact OE1-NE 2.65Å; E695-R699 IonicContact OE1-NH2 3.1Å; E695-R699 PolarHBondContact OE1-NH2 3.17Å; R696-R699 WeakPolarHBondContact O-CB 3.4Å; R696-R699 PolarHBondContact O-N 2.82Å; V697-R699 PolarHBondContact O-N 2.72Å
700	F	84	Confident	87	Confident	37 Å²	37	62.3 Å²	62.3	16%	0.162	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.1	177.2	-51.3	-37.4	0	0	0	114	L666 E670 R696 V697 L698	L666-F700 HydrophobicContact CB-CE2 3.85Å; L666-F700 HydrophobicContact CB-CZ 3.87Å; L666-F700 HydrophobicContact CD2-CE2 4.07Å; L666-F700 HydrophobicContact CG-CE2 4.39Å; E670-F700 HydrophobicContact CB-CB 4.41Å; E670-F700 HydrophobicContact CB-CD1 4.1Å; E670-F700 HydrophobicContact CB-CD2 4.24Å; E670-F700 HydrophobicContact CB-CE1 4.47Å; E670-F700 HydrophobicContact CB-CG 4Å; E670-F700 VanDerWaalsContact CD-CD1 3.42Å; E670-F700 HydrophobicContact CG-CB 4.05Å; E670-F700 HydrophobicContact CG-CD1 3.87Å; E670-F700 HydrophobicContact CG-CG 3.97Å; R696-F700 WeakPolarHBondContact O-CE2 3.42Å; V697-F700 HydrophobicContact CG2-CE2 4.49Å; V697-F700 WeakPolarHBondContact O-CB 3.42Å; V697-F700 PolarHBondContact O-N 3.42Å; V697-F700 VanDerWaalsContact O-N 3.1Å; L698-F700 PolarHBondContact O-N 3.48Å
701	L	85.8	Confident	87.1	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.042	29%	0.286	C	S	.	.	S	Bend	trans	-93.1	146.3	-178.2	-60	176.8	0	0	0	110.6	L675 K678 F679 L682 L698 L709	L675-L701 HydrophobicContact CD1-CD2 3.67Å; K678-L701 HydrophobicContact CB-CD2 4.05Å; K678-L701 HydrophobicContact CD-CD2 4.24Å; F679-L701 HydrophobicContact CD1-CD1 4.21Å; F679-L701 HydrophobicContact CD1-CD2 4.15Å; F679-L701 HydrophobicContact CE1-CD1 3.96Å; F679-L701 HydrophobicContact CE1-CD2 3.79Å; F679-L701 HydrophobicContact CE1-CG 4.45Å; L682-L701 HydrophobicContact CD2-CD1 4.34Å; L698-L701 HydrophobicContact CD2-CD1 3.95Å; L698-L701 PolarHBondContact O-N 2.82Å; L701-L709 HydrophobicContact CD1-CD1 3.93Å
702	P	85.6	Confident	87.2	Confident	69 Å²	69	60.8 Å²	60.8	45%	0.448	28%	0.279	S	S	.	.			trans	-54.5	144.2	172.4	-23.3	33.3	0	0	0	111.6	L675 E704 H705 K706	L675-P702 HydrophobicContact CD1-CG 4.27Å; P702-E704 PolarHBondContact O-N 3.36Å; P702-H705 PolarHBondContact O-N 3.15Å; P702-K706 PolarHBondContact O-N 3.21Å
703	D	83.1	Confident	87.2	Confident	115 Å²	115	60.4 Å²	60.4	62%	0.615	27%	0.274	S	S	*	.	H	α-helix	trans	-52	-36.9	-171.2	-74.6	-38.8	0	0	0	114.4	H705 K706 R707	D703-H705 PolarHBondContact O-N 3.27Å; D703-K706 PolarHBondContact O-N 3.25Å; D703-R707 WeakPolarHBondContact O-CG 3.21Å; D703-R707 PolarHBondContact O-N 2.87Å
704	E	80.7	Confident	87.1	Confident	139 Å²	139	61.5 Å²	61.5	65%	0.65	28%	0.282	S	S	*	.	H	α-helix	trans	-59.1	-46.6	176.4	-171.1	-179	-171.3	0	0	112	P702 Q708	P702-E704 PolarHBondContact O-N 3.36Å; E704-Q708 WeakPolarHBondContact O-CG 3.49Å; E704-Q708 PolarHBondContact O-N 3.32Å
705	H	83.8	Confident	87.1	Confident	52 Å²	52	61.5 Å²	61.5	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-77.9	-33.2	179.8	-64.9	83.5	0	0	0	111.6	F679 P702 D703 R707 Q708 L709	F679-H705 HydrophobicContact CE1-CB 4.19Å; F679-H705 HydrophobicContact CZ-CB 4.13Å; F679-H705 AromaticContact CZ-CD2 3.3Å; F679-H705 WeakPolarHBondContact CZ-CD2 3.42Å; F679-H705 AromaticContact CZ-CG 3.81Å; F679-H705 AromaticContact CZ-NE2 3.94Å; P702-H705 PolarHBondContact O-N 3.15Å; D703-H705 PolarHBondContact O-N 3.27Å; H705-R707 PolarHBondContact O-N 2.74Å; H705-Q708 PolarHBondContact O-N 2.76Å; H705-L709 WeakPolarHBondContact O-CB 3.49Å; H705-L709 WeakPolarHBondContact O-CG 3.42Å; H705-L709 PolarHBondContact O-N 3.34Å
706	K	86.6	Confident	87	Confident	79 Å²	79	58.9 Å²	58.9	34%	0.343	27%	0.269	S	S	.	.	H	α-helix	trans	-59.7	-44.8	176.2	-178	-179	174.3	-172.7	0	111.3	P702 D703 L709 E710	P702-K706 PolarHBondContact O-N 3.21Å; D703-K706 PolarHBondContact O-N 3.25Å; K706-L709 PolarHBondContact O-N 3.33Å; K706-E710 WeakPolarHBondContact O-CB 3.36Å; K706-E710 PolarHBondContact O-N 2.86Å
707	R	83.8	Confident	87	Confident	204 Å²	204	57.9 Å²	57.9	77%	0.77	27%	0.267	S	S	*	.	H	α-helix	trans	-64.2	-42.8	176.8	-71.4	-179.4	-172.5	177.7	3.4	112.4	D703 H705 L709	D703-R707 WeakPolarHBondContact O-CG 3.21Å; D703-R707 PolarHBondContact O-N 2.87Å; H705-R707 PolarHBondContact O-N 2.74Å; R707-L709 VanDerWaalsContact C-N 3.35Å; R707-L709 PolarHBondContact O-N 2.95Å
708	Q	83.1	Confident	87	Confident	72 Å²	72	57.9 Å²	57.9	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-33.5	180	-70.9	176.7	-0.3	0	0	113.2	E704 H705 V753	E704-Q708 WeakPolarHBondContact O-CG 3.49Å; E704-Q708 PolarHBondContact O-N 3.32Å; H705-Q708 PolarHBondContact O-N 2.76Å; Q708-V753 HydrophobicContact CB-CG1 4.44Å
709	L	86.1	Confident	86.8	Confident	15 Å²	15	57.4 Å²	57.4	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-99.3	-4.6	-175.5	-62.8	170.9	0	0	0	113.5	F679 L682 L698 L701 H705 K706 R707 P711 M712 V753	F679-L709 HydrophobicContact CD1-CD1 3.65Å; F679-L709 HydrophobicContact CE1-CD1 3.57Å; F679-L709 HydrophobicContact CZ-CD1 4.47Å; L682-L709 HydrophobicContact CD2-CB 4.11Å; L682-L709 HydrophobicContact CD2-CD1 4.08Å; L698-L709 HydrophobicContact CD2-CB 3.77Å; L701-L709 HydrophobicContact CD1-CD1 3.93Å; H705-L709 WeakPolarHBondContact O-CB 3.49Å; H705-L709 WeakPolarHBondContact O-CG 3.42Å; H705-L709 PolarHBondContact O-N 3.34Å; K706-L709 PolarHBondContact O-N 3.33Å; R707-L709 VanDerWaalsContact C-N 3.35Å; R707-L709 PolarHBondContact O-N 2.95Å; L709-P711 VanDerWaalsContact C-N 3.26Å; L709-M712 HydrophobicContact CD2-CE 3.58Å; L709-M712 HydrophobicContact CD2-SD 4.01Å; L709-M712 WeakPolarHBondContact O-CB 3.46Å; L709-M712 WeakPolarHBondContact O-CG 3.38Å; L709-M712 PolarHBondContact O-N 3.49Å; L709-V753 HydrophobicContact CD2-CG1 4.11Å
710	E	88.8	Confident	86.7	Confident	125 Å²	125	55.3 Å²	55.3	58%	0.584	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-41.4	175.3	-162.8	-153.1	-179.8	0	0	113	K706 M712 K713	K706-E710 WeakPolarHBondContact O-CB 3.36Å; K706-E710 PolarHBondContact O-N 2.86Å; E710-M712 PolarHBondContact O-N 3.48Å; E710-K713 WeakPolarHBondContact O-CB 3.2Å; E710-K713 PolarHBondContact O-N 3Å
711	P	89.8	Confident	86.7	Confident	15 Å²	15	54.1 Å²	54.1	10%	0.097	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.5	-179.9	-21.4	34.2	0	0	0	114.5	L709 K713 S714 I715 L743 L746 T754	L709-P711 VanDerWaalsContact C-N 3.26Å; P711-K713 PolarHBondContact O-N 2.9Å; P711-S714 WeakPolarHBondContact O-CB 3.12Å; P711-S714 PolarHBondContact O-N 3Å; P711-S714 VanDerWaalsContact O-N 3.16Å; P711-I715 PolarHBondContact O-N 3.26Å; P711-L743 HydrophobicContact CB-CD2 3.96Å; P711-L746 HydrophobicContact CB-CD1 3.65Å; P711-L746 HydrophobicContact CG-CD1 3.69Å; P711-L746 HydrophobicContact CG-CD2 3.98Å; P711-L746 HydrophobicContact CG-CG 4.48Å; P711-T754 HydrophobicContact CB-CG2 3.79Å
712	M	89.2	Confident	86.3	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-24.5	170	-69.6	-165.1	170.2	0	0	112.7	L682 V686 L709 E710 I715 A716 T754	L682-M712 HydrophobicContact CD2-SD 3.49Å; L682-M712 WeakPolarHBondContact CD2-SD 3.35Å; L682-M712 HydrophobicContact CG-SD 3.9Å; V686-M712 HydrophobicContact CG2-CB 3.81Å; V686-M712 HydrophobicContact CG2-CG 4.46Å; V686-M712 HydrophobicContact CG2-SD 4.33Å; L709-M712 HydrophobicContact CD2-CE 3.58Å; L709-M712 HydrophobicContact CD2-SD 4.01Å; L709-M712 WeakPolarHBondContact O-CB 3.46Å; L709-M712 WeakPolarHBondContact O-CG 3.38Å; L709-M712 PolarHBondContact O-N 3.49Å; E710-M712 PolarHBondContact O-N 3.48Å; M712-I715 PolarHBondContact O-N 3.46Å; M712-A716 WeakPolarHBondContact O-CB 3.41Å; M712-A716 PolarHBondContact O-N 3.49Å; M712-T754 HydrophobicContact CG-CG2 3.76Å
713	K	90.1	Very high	85.8	Confident	61 Å²	61	56.8 Å²	56.8	27%	0.265	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-45.7	172.3	-174.8	178.7	170.9	175.1	0	111.3	E691 E695 E710 P711 I715 A716 H717	E691-K713 HydrophobicContact CG-CD 4.46Å; E691-K713 HydrophobicContact CG-CG 3.76Å; E691-K713 WeakPolarHBondContact OE1-CE 3.44Å; E691-K713 IonicContact OE1-NZ 3.6Å; E695-K713 WeakPolarHBondContact OE2-CE 3.48Å; E695-K713 IonicContact OE2-NZ 3.48Å; E695-K713 PolarHBondContact OE2-NZ 3.39Å; E710-K713 WeakPolarHBondContact O-CB 3.2Å; E710-K713 PolarHBondContact O-N 3Å; P711-K713 PolarHBondContact O-N 2.9Å; K713-I715 VanDerWaalsContact C-N 3.29Å; K713-I715 PolarHBondContact O-N 3.35Å; K713-A716 PolarHBondContact O-N 3.07Å; K713-H717 PolarHBondContact O-N 3.31Å
714	S	88.4	Confident	84.9	Confident	23 Å²	23	54.2 Å²	54.2	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-40.8	175.1	-54.6	0	0	0	0	111.4	P711 H717 I718	P711-S714 WeakPolarHBondContact O-CB 3.12Å; P711-S714 PolarHBondContact O-N 3Å; P711-S714 VanDerWaalsContact O-N 3.16Å; S714-H717 PolarHBondContact O-N 3.11Å; S714-I718 WeakPolarHBondContact O-CD1 3.44Å; S714-I718 VanDerWaalsContact O-CG1 3.26Å; S714-I718 WeakPolarHBondContact O-CG1 3.46Å; S714-I718 PolarHBondContact O-N 3.04Å
715	I	90.5	Very high	83.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-47.1	175.3	-63.7	179.8	0	0	0	111.2	V686 P711 M712 K713 H717 I718 I719 L743 T754 M755 L763	V686-I715 HydrophobicContact CG1-CB 3.99Å; V686-I715 HydrophobicContact CG1-CG2 3.4Å; P711-I715 PolarHBondContact O-N 3.26Å; M712-I715 PolarHBondContact O-N 3.46Å; K713-I715 VanDerWaalsContact C-N 3.29Å; K713-I715 PolarHBondContact O-N 3.35Å; I715-H717 VanDerWaalsContact C-N 3.27Å; I715-H717 PolarHBondContact O-N 3.47Å; I715-I718 PolarHBondContact O-N 3.13Å; I715-I719 HydrophobicContact CG2-CD1 3.93Å; I715-I719 WeakPolarHBondContact O-CG1 3.27Å; I715-I719 PolarHBondContact O-N 3.08Å; I715-L743 HydrophobicContact CG1-CD1 4.05Å; I715-L743 HydrophobicContact CG1-CD2 4.18Å; I715-T754 HydrophobicContact CD1-CG2 3.52Å; I715-T754 HydrophobicContact CG1-CG2 4.49Å; I715-M755 HydrophobicContact CD1-SD 4.48Å; I715-L763 HydrophobicContact CD1-CD2 4.21Å; I715-L763 HydrophobicContact CG1-CD2 4.25Å; I715-L763 HydrophobicContact CG2-CB 4.37Å; I715-L763 HydrophobicContact CG2-CD1 3.82Å; I715-L763 HydrophobicContact CG2-CD2 3.88Å; I715-L763 HydrophobicContact CG2-CG 4.22Å
716	A	90.2	Very high	82	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-38.4	177.7	0	0	0	0	0	111.5	V686 E691 V694 M712 K713 I719 K720	V686-A716 HydrophobicContact CG1-CB 4.38Å; V686-A716 HydrophobicContact CG2-CB 4.4Å; E691-A716 HydrophobicContact CB-CB 4.49Å; V694-A716 HydrophobicContact CG2-CB 4.19Å; M712-A716 WeakPolarHBondContact O-CB 3.41Å; M712-A716 PolarHBondContact O-N 3.49Å; K713-A716 PolarHBondContact O-N 3.07Å; A716-I719 PolarHBondContact O-N 3.41Å; A716-K720 VanDerWaalsContact O-CB 3.26Å; A716-K720 WeakPolarHBondContact O-CB 3.48Å; A716-K720 PolarHBondContact O-N 3.08Å
717	H	89.5	Confident	79.9	Confident	33 Å²	33	56.3 Å²	56.3	15%	0.153	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-45.5	175.4	-172.5	76.6	0	0	0	112.4	E691 K713 S714 I715 I719 K720 S721 S735 S739	E691-H717 IonicContact OE1-ND1 2.85Å; E691-H717 IonicContact OE2-CE1 3.52Å; E691-H717 IonicContact OE2-CG 3.5Å; E691-H717 IonicContact OE2-ND1 3.55Å; E691-H717 PolarHBondContact OE2-ND1 3.2Å; K713-H717 PolarHBondContact O-N 3.31Å; S714-H717 PolarHBondContact O-N 3.11Å; I715-H717 VanDerWaalsContact C-N 3.27Å; I715-H717 PolarHBondContact O-N 3.47Å; H717-I719 PolarHBondContact O-N 2.92Å; H717-K720 PolarHBondContact O-N 3.17Å; H717-S721 WeakPolarHBondContact O-CB 3.26Å; H717-S721 PolarHBondContact O-N 2.92Å; H717-S735 PolarHBondContact CE1-OG 3.49Å; H717-S735 WeakPolarHBondContact NE2-CB 3.35Å; H717-S735 PolarHBondContact NE2-OG 3.32Å; H717-S739 PolarHBondContact CD2-OG 2.84Å
718	I	88.9	Confident	77.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.5	-49.7	175.6	-66.4	161.7	0	0	0	110	S714 I715 K720 S721 S722 V736 I740 L743 L763 W767	S714-I718 WeakPolarHBondContact O-CD1 3.44Å; S714-I718 VanDerWaalsContact O-CG1 3.26Å; S714-I718 WeakPolarHBondContact O-CG1 3.46Å; S714-I718 PolarHBondContact O-N 3.04Å; I715-I718 PolarHBondContact O-N 3.13Å; I718-K720 PolarHBondContact O-N 3.2Å; I718-S721 PolarHBondContact O-N 2.87Å; I718-S721 PolarHBondContact O-OG 3.35Å; I718-S722 PolarHBondContact O-N 3.15Å; I718-V736 HydrophobicContact CG1-CG1 4.34Å; I718-I740 HydrophobicContact CD1-CD1 4.36Å; I718-I740 HydrophobicContact CD1-CG1 3.62Å; I718-I740 HydrophobicContact CG1-CG1 4.16Å; I718-L743 HydrophobicContact CD1-CD1 3.6Å; I718-L763 HydrophobicContact CB-CD1 4.28Å; I718-L763 HydrophobicContact CG2-CD1 3.95Å; I718-W767 HydrophobicContact CD1-CH2 4.18Å; I718-W767 HydrophobicContact CD1-CZ3 3.97Å; I718-W767 HydrophobicContact CG2-CE3 4.25Å
719	I	86.9	Confident	75.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-47.8	178.6	-67.2	170.2	0	0	0	110.8	V686 I715 A716 H717 S721 S722 L723 T762 L763 C766	V686-I719 HydrophobicContact CG1-CD1 4.2Å; V686-I719 WeakPolarHBondContact O-CD1 3.23Å; I715-I719 HydrophobicContact CG2-CD1 3.93Å; I715-I719 WeakPolarHBondContact O-CG1 3.27Å; I715-I719 PolarHBondContact O-N 3.08Å; A716-I719 PolarHBondContact O-N 3.41Å; H717-I719 PolarHBondContact O-N 2.92Å; I719-S721 VanDerWaalsContact C-N 3.33Å; I719-S721 PolarHBondContact O-N 2.95Å; I719-S722 PolarHBondContact O-N 3.06Å; I719-L723 HydrophobicContact CG2-CD1 3.72Å; I719-L723 HydrophobicContact CG2-CG 4.29Å; I719-L723 WeakPolarHBondContact O-CG 3.38Å; I719-L723 PolarHBondContact O-N 2.93Å; I719-T762 HydrophobicContact CD1-CG2 4.3Å; I719-T762 HydrophobicContact CG2-CG2 4.02Å; I719-L763 HydrophobicContact CD1-CB 4.24Å; I719-L763 HydrophobicContact CG1-CB 4.48Å; I719-L763 HydrophobicContact CG1-CD1 4.15Å; I719-C766 HydrophobicContact CG1-CB 4.27Å
720	K	86.9	Confident	72.9	Confident	107 Å²	107	64.5 Å²	64.5	47%	0.465	36%	0.355	S	S	.	.	H	α-helix	trans	-55.5	-46.1	178	-170.9	-179.5	173.4	-175.4	0	112.4	G689 E691 A716 H717 I718 S722 L723 A724	G689-K720 VanDerWaalsContact O-CB 3.26Å; G689-K720 WeakPolarHBondContact O-CB 3.45Å; G689-K720 WeakPolarHBondContact O-CG 3.42Å; E691-K720 HydrophobicContact CB-CD 4.47Å; A716-K720 VanDerWaalsContact O-CB 3.26Å; A716-K720 WeakPolarHBondContact O-CB 3.48Å; A716-K720 PolarHBondContact O-N 3.08Å; H717-K720 PolarHBondContact O-N 3.17Å; I718-K720 PolarHBondContact O-N 3.2Å; K720-S722 VanDerWaalsContact C-N 3.33Å; K720-S722 PolarHBondContact O-N 3.47Å; K720-L723 PolarHBondContact O-N 3.4Å; K720-A724 WeakPolarHBondContact O-CB 3.46Å; K720-A724 PolarHBondContact O-N 3.38Å
721	S	82.9	Confident	70.5	Confident	12 Å²	12	64.1 Å²	64.1	8%	0.084	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-38.5	-177.7	75.7	0	0	0	0	112.3	H717 I718 I719 N725 V736	H717-S721 WeakPolarHBondContact O-CB 3.26Å; H717-S721 PolarHBondContact O-N 2.92Å; I718-S721 PolarHBondContact O-N 2.87Å; I718-S721 PolarHBondContact O-OG 3.35Å; I719-S721 VanDerWaalsContact C-N 3.33Å; I719-S721 PolarHBondContact O-N 2.95Å; S721-N725 PolarHBondContact O-N 3.13Å; S721-V736 VanDerWaalsContact CB-CG2 3.48Å; S721-V736 WeakPolarHBondContact OG-CG2 3.38Å
722	S	78.7	Confident	68.9	Low	43 Å²	43	65.2 Å²	65.2	30%	0.301	37%	0.372	S	S	.	.	H	α-helix	trans	-71.9	-38.2	176.8	-172.3	0	0	0	0	112.2	I718 I719 K720 A724 N725 C766	I718-S722 PolarHBondContact O-N 3.15Å; I719-S722 PolarHBondContact O-N 3.06Å; K720-S722 VanDerWaalsContact C-N 3.33Å; K720-S722 PolarHBondContact O-N 3.47Å; S722-A724 VanDerWaalsContact C-N 3.32Å; S722-N725 PolarHBondContact O-N 2.77Å; S722-C766 WeakPolarHBondContact CB-O 3.44Å; S722-C766 WeakPolarHBondContact OG-CA 3.49Å; S722-C766 PolarHBondContact OG-O 3.32Å
723	L	73.7	Confident	67.8	Low	91 Å²	91	67.8 Å²	67.8	48%	0.476	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-33.3	177	-69.3	172.2	0	0	0	111.8	I719 K720	I719-L723 HydrophobicContact CG2-CD1 3.72Å; I719-L723 HydrophobicContact CG2-CG 4.29Å; I719-L723 WeakPolarHBondContact O-CG 3.38Å; I719-L723 PolarHBondContact O-N 2.93Å; K720-L723 PolarHBondContact O-N 3.4Å
724	A	63.8	Low	67.2	Low	60 Å²	60	71.8 Å²	71.8	50%	0.496	41%	0.41	S	S	.	.	H	α-helix	trans	-71.3	-36.7	176.1	0	0	0	0	0	112.9	K720 S722 A726 N727	K720-A724 WeakPolarHBondContact O-CB 3.46Å; K720-A724 PolarHBondContact O-N 3.38Å; S722-A724 VanDerWaalsContact C-N 3.32Å; A724-A726 PolarHBondContact O-N 3.3Å; A724-A726 VanDerWaalsContact O-N 3.11Å; A724-N727 PolarHBondContact O-N 2.92Å
725	N	53.1	Low	66.9	Low	90 Å²	90	73.5 Å²	73.5	48%	0.481	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.2	-179.7	-78.6	-11.6	0	0	0	114.1	S721 S722 N727	S721-N725 PolarHBondContact O-N 3.13Å; S722-N725 PolarHBondContact O-N 2.77Å; N725-N727 PolarHBondContact O-N 2.89Å
726	A	51.6	Low	66.6	Low	82 Å²	82	73.7 Å²	73.7	68%	0.678	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.7	170.7	0	0	0	0	0	113	A724	A724-A726 PolarHBondContact O-N 3.3Å; A724-A726 VanDerWaalsContact O-N 3.11Å
727	N	42.5	Very low	66.4	Low	143 Å²	143	78 Å²	78	77%	0.765	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-13.9	-167.8	-78	-19.9	0	0	0	117.3	A724 N725	A724-N727 PolarHBondContact O-N 2.92Å; N725-N727 PolarHBondContact O-N 2.89Å
728	C	31.1	Very low	66.3	Low	107 Å²	107	81 Å²	81	72%	0.723	46%	0.456	S	S	*	.	S	Bend	trans	-161	151.1	-179.4	-96.9	0	0	0	0	113.7
729	D	36.6	Very low	66.2	Low	156 Å²	156	81.6 Å²	81.6	83%	0.834	46%	0.46	S	S	*	.			trans	-53.4	124.1	-177.9	-70.3	-56.9	0	0	0	115.2	P731	D729-P731 VanDerWaalsContact O-CD 3.3Å; D729-P731 WeakPolarHBondContact O-CD 3.38Å
730	K	37.2	Very low	66.3	Low	199 Å²	199	81.7 Å²	81.7	87%	0.865	46%	0.461	S	S	*	.			trans	21.7	94.3	155.2	-65.1	178.3	178.6	177	0	117
731	P	38.9	Very low	66.4	Low	117 Å²	117	81 Å²	81	76%	0.76	46%	0.459	S	S	*	.				-154.3	102.9	124.5	32.2	-9.7	0	0	0	113.5	D729	D729-P731 VanDerWaalsContact O-CD 3.3Å; D729-P731 WeakPolarHBondContact O-CD 3.38Å
732	S	56.6	Low	66.6	Low	39 Å²	39	84 Å²	84	27%	0.273	47%	0.474	S	S	.	.			trans	-163.4	-2.8	164.1	66.7	0	0	0	0	116.6	E734 S735 V736	S732-E734 PolarHBondContact O-N 3.23Å; S732-E734 VanDerWaalsContact O-N 3.15Å; S732-S735 PolarHBondContact O-N 2.93Å; S732-V736 WeakPolarHBondContact O-CG2 3.34Å; S732-V736 PolarHBondContact O-N 3.31Å
733	S	65.7	Low	67.1	Low	60 Å²	60	82 Å²	82	42%	0.42	46%	0.46	S	S	.	.	H	α-helix	trans	-47.8	-48.3	-171.2	155.4	0	0	0	0	114.5	K737	S733-K737 VanDerWaalsContact O-CG 3.28Å; S733-K737 WeakPolarHBondContact O-CG 3.22Å; S733-K737 PolarHBondContact O-N 2.89Å
734	E	77.4	Confident	67.8	Low	145 Å²	145	79.5 Å²	79.5	68%	0.678	45%	0.446	S	S	*	.	H	α-helix	trans	-69.7	-45.2	-172.1	-138.7	72.2	-166.2	0	0	113	S732 V736 K737 Q738	S732-E734 PolarHBondContact O-N 3.23Å; S732-E734 VanDerWaalsContact O-N 3.15Å; E734-V736 VanDerWaalsContact C-N 3.3Å; E734-V736 PolarHBondContact O-N 3.39Å; E734-K737 WeakPolarHBondContact O-CB 3.44Å; E734-K737 PolarHBondContact O-N 2.77Å; E734-Q738 PolarHBondContact O-N 3.27Å
735	S	82.1	Confident	69	Low	60 Å²	60	82.6 Å²	82.6	42%	0.42	45%	0.454	S	S	.	.	H	α-helix	trans	-65.6	-36	-179.4	-174.5	0	0	0	0	111.9	H717 S732 Q738 S739	H717-S735 PolarHBondContact CE1-OG 3.49Å; H717-S735 WeakPolarHBondContact NE2-CB 3.35Å; H717-S735 PolarHBondContact NE2-OG 3.32Å; S732-S735 PolarHBondContact O-N 2.93Å; S735-Q738 PolarHBondContact O-N 2.87Å; S735-S739 WeakPolarHBondContact O-CB 3.14Å; S735-S739 PolarHBondContact O-N 2.9Å; S735-S739 PolarHBondContact O-OG 3.17Å
736	V	84.4	Confident	70.6	Confident	4 Å²	4	80 Å²	80	2%	0.024	44%	0.44	C	S	.	.	H	α-helix	trans	-69.3	-42.2	176.1	177.3	0	0	0	0	110.6	I718 S721 S732 E734 Q738 S739 I740 P768	I718-V736 HydrophobicContact CG1-CG1 4.34Å; S721-V736 VanDerWaalsContact CB-CG2 3.48Å; S721-V736 WeakPolarHBondContact OG-CG2 3.38Å; S732-V736 WeakPolarHBondContact O-CG2 3.34Å; S732-V736 PolarHBondContact O-N 3.31Å; E734-V736 VanDerWaalsContact C-N 3.3Å; E734-V736 PolarHBondContact O-N 3.39Å; V736-Q738 PolarHBondContact O-N 3.03Å; V736-S739 WeakPolarHBondContact O-CB 3.27Å; V736-S739 PolarHBondContact O-N 3.34Å; V736-I740 HydrophobicContact CG1-CD1 3.93Å; V736-I740 WeakPolarHBondContact O-CG1 3.14Å; V736-I740 PolarHBondContact O-N 3.1Å; V736-P768 HydrophobicContact CG1-CG 3.68Å
737	K	85.5	Confident	72.2	Confident	90 Å²	90	78.7 Å²	78.7	39%	0.391	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-46.5	173	-77.1	173.8	-177.8	-179.2	0	111.8	S733 E734 S739 I740 E741	S733-K737 VanDerWaalsContact O-CG 3.28Å; S733-K737 WeakPolarHBondContact O-CG 3.22Å; S733-K737 PolarHBondContact O-N 2.89Å; E734-K737 WeakPolarHBondContact O-CB 3.44Å; E734-K737 PolarHBondContact O-N 2.77Å; K737-S739 VanDerWaalsContact C-N 3.32Å; K737-S739 PolarHBondContact O-N 2.89Å; K737-I740 PolarHBondContact O-N 3.45Å; K737-E741 PolarHBondContact O-N 3.35Å
738	Q	87.3	Confident	74.1	Confident	97 Å²	97	74.2 Å²	74.2	45%	0.453	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-40.8	177.2	-168	64.4	58.7	0	0	112	E734 S735 V736 I740 E741 N742	E734-Q738 PolarHBondContact O-N 3.27Å; S735-Q738 PolarHBondContact O-N 2.87Å; V736-Q738 PolarHBondContact O-N 3.03Å; Q738-I740 VanDerWaalsContact C-N 3.29Å; Q738-I740 PolarHBondContact O-N 2.97Å; Q738-E741 PolarHBondContact NE2-OE2 3.46Å; Q738-E741 PolarHBondContact O-N 3.08Å; Q738-N742 PolarHBondContact NE2-OD1 3.29Å; Q738-N742 WeakPolarHBondContact O-CB 3.48Å; Q738-N742 PolarHBondContact O-N 3.11Å; Q738-N742 PolarHBondContact O-ND2 3.1Å; Q738-N742 PolarHBondContact O-OD1 3.27Å
739	S	86.8	Confident	76.5	Confident	11 Å²	11	74.5 Å²	74.5	8%	0.077	40%	0.397	C	S	.	.	H	α-helix	trans	-62.5	-37.8	176.7	-62.5	0	0	0	0	111.9	H717 S735 V736 K737 L743	H717-S739 PolarHBondContact CD2-OG 2.84Å; S735-S739 WeakPolarHBondContact O-CB 3.14Å; S735-S739 PolarHBondContact O-N 2.9Å; S735-S739 PolarHBondContact O-OG 3.17Å; V736-S739 WeakPolarHBondContact O-CB 3.27Å; V736-S739 PolarHBondContact O-N 3.34Å; K737-S739 VanDerWaalsContact C-N 3.32Å; K737-S739 PolarHBondContact O-N 2.89Å; S739-L743 WeakPolarHBondContact O-CG 3.39Å; S739-L743 PolarHBondContact O-N 3.11Å; S739-L743 VanDerWaalsContact O-N 3.17Å
740	I	88.9	Confident	78.8	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-71.9	-43.3	177.8	-72.3	173	0	0	0	111.1	I718 V736 K737 Q738 N742 L743 Q744 W767 P768 Q771 D774	I718-I740 HydrophobicContact CD1-CD1 4.36Å; I718-I740 HydrophobicContact CD1-CG1 3.62Å; I718-I740 HydrophobicContact CG1-CG1 4.16Å; V736-I740 HydrophobicContact CG1-CD1 3.93Å; V736-I740 WeakPolarHBondContact O-CG1 3.14Å; V736-I740 PolarHBondContact O-N 3.1Å; K737-I740 PolarHBondContact O-N 3.45Å; Q738-I740 VanDerWaalsContact C-N 3.29Å; Q738-I740 PolarHBondContact O-N 2.97Å; I740-N742 VanDerWaalsContact C-N 3.32Å; I740-N742 PolarHBondContact O-N 3.02Å; I740-L743 PolarHBondContact O-N 3.31Å; I740-L743 VanDerWaalsContact O-N 3.15Å; I740-Q744 WeakPolarHBondContact O-CG 3.1Å; I740-Q744 PolarHBondContact O-N 3.14Å; I740-W767 HydrophobicContact CB-CZ2 4.23Å; I740-W767 HydrophobicContact CD1-CD2 4.39Å; I740-W767 HydrophobicContact CD1-CH2 4.31Å; I740-W767 HydrophobicContact CD1-CZ2 3.66Å; I740-W767 HydrophobicContact CG1-CH2 3.86Å; I740-W767 HydrophobicContact CG1-CZ2 3.56Å; I740-W767 HydrophobicContact CG2-CH2 4.43Å; I740-W767 HydrophobicContact CG2-CZ2 3.73Å; I740-P768 HydrophobicContact CD1-CG 4.14Å; I740-Q771 HydrophobicContact CD1-CB 4.16Å; I740-D774 HydrophobicContact CG2-CB 3.92Å
741	E	88.7	Confident	81.1	Confident	93 Å²	93	60.3 Å²	60.3	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-42.8	174.4	-170.5	-179.7	-164	0	0	111.5	K737 Q738 L743 Q744 N745	K737-E741 PolarHBondContact O-N 3.35Å; Q738-E741 PolarHBondContact NE2-OE2 3.46Å; Q738-E741 PolarHBondContact O-N 3.08Å; E741-L743 VanDerWaalsContact C-N 3.31Å; E741-L743 PolarHBondContact O-N 3.5Å; E741-Q744 PolarHBondContact O-N 3.34Å; E741-Q744 VanDerWaalsContact O-N 3.15Å; E741-N745 PolarHBondContact O-N 3.4Å; E741-N745 VanDerWaalsContact O-N 3.09Å; E741-N745 PolarHBondContact O-ND2 2.85Å
742	N	87.7	Confident	83.2	Confident	75 Å²	75	57.4 Å²	57.4	40%	0.401	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-41	175.2	-69.5	-10.6	0	0	0	111.8	Q738 I740 N745	Q738-N742 PolarHBondContact NE2-OD1 3.29Å; Q738-N742 WeakPolarHBondContact O-CB 3.48Å; Q738-N742 PolarHBondContact O-N 3.11Å; Q738-N742 PolarHBondContact O-ND2 3.1Å; Q738-N742 PolarHBondContact O-OD1 3.27Å; I740-N742 VanDerWaalsContact C-N 3.32Å; I740-N742 PolarHBondContact O-N 3.02Å; N742-N745 PolarHBondContact O-N 3.11Å
743	L	89.1	Confident	84.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-38.1	175.4	-71.3	172.1	0	0	0	112.1	P711 I715 I718 S739 I740 E741 N745 L746 L751 W767 I778	P711-L743 HydrophobicContact CB-CD2 3.96Å; I715-L743 HydrophobicContact CG1-CD1 4.05Å; I715-L743 HydrophobicContact CG1-CD2 4.18Å; I718-L743 HydrophobicContact CD1-CD1 3.6Å; S739-L743 WeakPolarHBondContact O-CG 3.39Å; S739-L743 PolarHBondContact O-N 3.11Å; S739-L743 VanDerWaalsContact O-N 3.17Å; I740-L743 PolarHBondContact O-N 3.31Å; I740-L743 VanDerWaalsContact O-N 3.15Å; E741-L743 VanDerWaalsContact C-N 3.31Å; E741-L743 PolarHBondContact O-N 3.5Å; L743-N745 VanDerWaalsContact C-N 3.28Å; L743-N745 PolarHBondContact O-N 2.6Å; L743-L746 HydrophobicContact CD2-CD1 3.93Å; L743-L746 WeakPolarHBondContact O-CB 3.3Å; L743-L746 PolarHBondContact O-N 3.38Å; L743-L751 WeakPolarHBondContact O-CD2 3.43Å; L743-W767 HydrophobicContact CD1-CH2 4.12Å; L743-W767 HydrophobicContact CD1-CZ3 4.37Å; L743-I778 HydrophobicContact CB-CD1 4.19Å
744	Q	88	Confident	85.2	Confident	39 Å²	39	54.9 Å²	54.9	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-33.4	177.8	-75.1	-172.7	-32.3	0	0	113.3	I740 E741 L746 D774 I778 K781	I740-Q744 WeakPolarHBondContact O-CG 3.1Å; I740-Q744 PolarHBondContact O-N 3.14Å; E741-Q744 PolarHBondContact O-N 3.34Å; E741-Q744 VanDerWaalsContact O-N 3.15Å; Q744-L746 VanDerWaalsContact C-N 3.31Å; Q744-D774 VanDerWaalsContact NE2-CA 3.27Å; Q744-D774 VanDerWaalsContact NE2-CG 3.28Å; Q744-D774 PolarHBondContact NE2-OD1 3.34Å; Q744-I778 HydrophobicContact CG-CD1 3.87Å; Q744-I778 HydrophobicContact CG-CG1 3.89Å; Q744-K781 PolarHBondContact O-NZ 3.03Å
745	N	88.7	Confident	85.3	Confident	124 Å²	124	48 Å²	48	66%	0.663	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.1	-178.1	-72.2	-26.5	0	0	0	114	E741 N742 L743	E741-N745 PolarHBondContact O-N 3.4Å; E741-N745 VanDerWaalsContact O-N 3.09Å; E741-N745 PolarHBondContact O-ND2 2.85Å; N742-N745 PolarHBondContact O-N 3.11Å; L743-N745 VanDerWaalsContact C-N 3.28Å; L743-N745 PolarHBondContact O-N 2.6Å
746	L	87	Confident	84.9	Confident	36 Å²	36	52.7 Å²	52.7	19%	0.188	26%	0.261	C	S	.	.	S	Bend	trans	-65.1	150.7	175.7	-69.7	175.2	0	0	0	112.3	P711 L743 Q744 D750 L751	P711-L746 HydrophobicContact CB-CD1 3.65Å; P711-L746 HydrophobicContact CG-CD1 3.69Å; P711-L746 HydrophobicContact CG-CD2 3.98Å; P711-L746 HydrophobicContact CG-CG 4.48Å; L743-L746 HydrophobicContact CD2-CD1 3.93Å; L743-L746 WeakPolarHBondContact O-CB 3.3Å; L743-L746 PolarHBondContact O-N 3.38Å; Q744-L746 VanDerWaalsContact C-N 3.31Å; L746-D750 HydrophobicContact CB-CB 4.29Å; L746-D750 HydrophobicContact CD2-CB 4.25Å; L746-L751 HydrophobicContact CB-CD2 4.18Å; L746-L751 HydrophobicContact CB-CG 3.81Å; L746-L751 HydrophobicContact CD1-CD2 4.09Å; L746-L751 HydrophobicContact CD1-CG 4.48Å
747	S	85.2	Confident	84.3	Confident	54 Å²	54	53.9 Å²	53.9	38%	0.378	27%	0.274	S	S	.	.			trans	-63.9	154.6	171.1	82.3	0	0	0	0	110.3	Q749 D750 L751	S747-Q749 PolarHBondContact O-N 3.01Å; S747-Q749 VanDerWaalsContact O-N 3.12Å; S747-Q749 PolarHBondContact OG-N 3.16Å; S747-D750 WeakPolarHBondContact CB-OD2 3.47Å; S747-D750 PolarHBondContact O-N 3.08Å; S747-D750 VanDerWaalsContact O-N 3.14Å; S747-D750 PolarHBondContact OG-N 3.05Å; S747-D750 VanDerWaalsContact OG-N 3.12Å; S747-D750 PolarHBondContact OG-OD2 3.4Å; S747-L751 PolarHBondContact O-N 3.15Å
748	S	83.2	Confident	83.7	Confident	50 Å²	50	52.8 Å²	52.8	35%	0.35	28%	0.276	S	S	.	.	H	α-helix	trans	-56.5	-31.5	176.6	-53.4	0	0	0	0	111.9	Y752 L785	S748-Y752 WeakPolarHBondContact O-CB 3.47Å; S748-Y752 PolarHBondContact O-N 3.24Å; S748-L785 WeakPolarHBondContact O-CD1 3.46Å
749	Q	82.3	Confident	83.4	Confident	113 Å²	113	48.1 Å²	48.1	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-72.7	-41.3	179	-169.9	63.9	18.1	0	0	112.2	S747 Y752 V753	S747-Q749 PolarHBondContact O-N 3.01Å; S747-Q749 VanDerWaalsContact O-N 3.12Å; S747-Q749 PolarHBondContact OG-N 3.16Å; Q749-Y752 WeakPolarHBondContact O-CB 3.14Å; Q749-Y752 PolarHBondContact O-N 2.96Å; Q749-V753 WeakPolarHBondContact O-CG2 3.47Å; Q749-V753 PolarHBondContact O-N 3.06Å; Q749-V753 VanDerWaalsContact O-N 3.08Å
750	D	84.7	Confident	83.4	Confident	57 Å²	57	48 Å²	48	31%	0.305	25%	0.253	S	S	.	.	H	α-helix	trans	-70.7	-38.2	177.8	-58.1	-43.4	0	0	0	111.1	L746 S747 Y752 V753 T754	L746-D750 HydrophobicContact CB-CB 4.29Å; L746-D750 HydrophobicContact CD2-CB 4.25Å; S747-D750 WeakPolarHBondContact CB-OD2 3.47Å; S747-D750 PolarHBondContact O-N 3.08Å; S747-D750 VanDerWaalsContact O-N 3.14Å; S747-D750 PolarHBondContact OG-N 3.05Å; S747-D750 VanDerWaalsContact OG-N 3.12Å; S747-D750 PolarHBondContact OG-OD2 3.4Å; D750-Y752 VanDerWaalsContact C-N 3.31Å; D750-Y752 PolarHBondContact O-N 3.04Å; D750-V753 PolarHBondContact O-N 3.03Å; D750-T754 WeakPolarHBondContact O-CB 3.35Å; D750-T754 PolarHBondContact O-N 3.23Å; D750-T754 PolarHBondContact O-OG1 3.49Å
751	L	85.8	Confident	83	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-45.3	168.1	-78.6	172.6	0	0	0	110.6	L743 L746 S747 V753 T754 M755 I778 K781 L782	L743-L751 WeakPolarHBondContact O-CD2 3.43Å; L746-L751 HydrophobicContact CB-CD2 4.18Å; L746-L751 HydrophobicContact CB-CG 3.81Å; L746-L751 HydrophobicContact CD1-CD2 4.09Å; L746-L751 HydrophobicContact CD1-CG 4.48Å; S747-L751 PolarHBondContact O-N 3.15Å; L751-V753 VanDerWaalsContact C-N 3.3Å; L751-V753 PolarHBondContact O-N 3.42Å; L751-T754 PolarHBondContact O-N 2.83Å; L751-M755 HydrophobicContact CD2-CG 4.2Å; L751-M755 WeakPolarHBondContact O-CA 3.45Å; L751-M755 WeakPolarHBondContact O-CB 3.44Å; L751-M755 WeakPolarHBondContact O-CG 3.21Å; L751-M755 PolarHBondContact O-N 3.38Å; L751-I778 HydrophobicContact CD1-CG2 4.18Å; L751-I778 HydrophobicContact CD2-CG2 3.83Å; L751-K781 HydrophobicContact CD1-CB 4.37Å; L751-K781 HydrophobicContact CD1-CD 4.03Å; L751-L782 HydrophobicContact CB-CD2 3.84Å; L751-L782 HydrophobicContact CB-CG 4.46Å
752	Y	83.1	Confident	82.9	Confident	56 Å²	56	46.1 Å²	46.1	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-38.5	179	178.2	-84.3	0	0	0	112.7	S748 Q749 D750 R756 L785 L787	S748-Y752 WeakPolarHBondContact O-CB 3.47Å; S748-Y752 PolarHBondContact O-N 3.24Å; Q749-Y752 WeakPolarHBondContact O-CB 3.14Å; Q749-Y752 PolarHBondContact O-N 2.96Å; D750-Y752 VanDerWaalsContact C-N 3.31Å; D750-Y752 PolarHBondContact O-N 3.04Å; Y752-R756 VanDerWaalsContact O-CB 3.26Å; Y752-R756 WeakPolarHBondContact O-CB 3.25Å; Y752-R756 PolarHBondContact OH-NH1 2.72Å; Y752-L785 HydrophobicContact CD2-CB 4.26Å; Y752-L785 HydrophobicContact CD2-CD1 4.1Å; Y752-L785 HydrophobicContact CG-CD1 4.28Å; Y752-L787 HydrophobicContact CD2-CD1 3.26Å; Y752-L787 HydrophobicContact CD2-CG 3.91Å; Y752-L787 HydrophobicContact CE2-CD1 3.38Å; Y752-L787 HydrophobicContact CE2-CD2 3.92Å; Y752-L787 HydrophobicContact CE2-CG 3.6Å; Y752-L787 HydrophobicContact CG-CD1 4.29Å
753	V	81.7	Confident	82.9	Confident	45 Å²	45	42.6 Å²	42.6	27%	0.273	23%	0.228	S	C	.	.	H	α-helix	trans	-73.4	-43.7	178.1	176.2	0	0	0	0	111.2	Q708 L709 Q749 D750 L751	Q708-V753 HydrophobicContact CB-CG1 4.44Å; L709-V753 HydrophobicContact CD2-CG1 4.11Å; Q749-V753 WeakPolarHBondContact O-CG2 3.47Å; Q749-V753 PolarHBondContact O-N 3.06Å; Q749-V753 VanDerWaalsContact O-N 3.08Å; D750-V753 PolarHBondContact O-N 3.03Å; L751-V753 VanDerWaalsContact C-N 3.3Å; L751-V753 PolarHBondContact O-N 3.42Å
754	T	81.1	Confident	83	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-75.7	-40.3	-175.4	-47.6	0	0	0	0	112.2	P711 M712 I715 D750 L751 R756 H759	P711-T754 HydrophobicContact CB-CG2 3.79Å; M712-T754 HydrophobicContact CG-CG2 3.76Å; I715-T754 HydrophobicContact CD1-CG2 3.52Å; I715-T754 HydrophobicContact CG1-CG2 4.49Å; D750-T754 WeakPolarHBondContact O-CB 3.35Å; D750-T754 PolarHBondContact O-N 3.23Å; D750-T754 PolarHBondContact O-OG1 3.49Å; L751-T754 PolarHBondContact O-N 2.83Å; T754-R756 VanDerWaalsContact C-N 3.26Å; T754-R756 PolarHBondContact O-N 2.64Å; T754-H759 PolarHBondContact O-CE1 3.05Å; T754-H759 PolarHBondContact O-NE2 3.37Å
755	M	79.8	Confident	82.9	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	42.1	-178.3	-61	-97.7	-67.7	0	0	111.1	I715 L751 L760 L763 F764 I778 L782	I715-M755 HydrophobicContact CD1-SD 4.48Å; L751-M755 HydrophobicContact CD2-CG 4.2Å; L751-M755 WeakPolarHBondContact O-CA 3.45Å; L751-M755 WeakPolarHBondContact O-CB 3.44Å; L751-M755 WeakPolarHBondContact O-CG 3.21Å; L751-M755 PolarHBondContact O-N 3.38Å; M755-L760 HydrophobicContact CB-CD2 3.86Å; M755-L760 HydrophobicContact CE-CD2 4.21Å; M755-L760 WeakPolarHBondContact O-CD1 3.31Å; M755-L760 HydrophobicContact SD-CD2 3.98Å; M755-L763 HydrophobicContact SD-CD2 3.76Å; M755-F764 HydrophobicContact CE-CE1 3.99Å; M755-F764 HydrophobicContact CE-CZ 4.35Å; M755-I778 HydrophobicContact CE-CG2 3.64Å; M755-L782 HydrophobicContact CB-CD1 3.65Å; M755-L782 HydrophobicContact CB-CD2 4.5Å; M755-L782 HydrophobicContact CE-CD1 3.57Å; M755-L782 HydrophobicContact CG-CD1 4.08Å
756	R	73	Confident	82.8	Confident	158 Å²	158	37 Å²	37	60%	0.596	20%	0.197	S	C	*	.			trans	-134.8	97.5	172.8	-173.2	-179.2	-174.8	-167.9	3.2	109.4	Y752 T754	Y752-R756 VanDerWaalsContact O-CB 3.26Å; Y752-R756 WeakPolarHBondContact O-CB 3.25Å; Y752-R756 PolarHBondContact OH-NH1 2.72Å; T754-R756 VanDerWaalsContact C-N 3.26Å; T754-R756 PolarHBondContact O-N 2.64Å
757	G	72.8	Confident	82.9	Confident	28 Å²	28	35.3 Å²	35.3	29%	0.289	19%	0.188	S	C	.	.	S	Bend	trans	173.3	175.7	178	0	0	0	0	0	113.3	H759 L760	G757-H759 PolarHBondContact O-N 2.8Å; G757-H759 VanDerWaalsContact O-N 3.11Å; G757-L760 PolarHBondContact O-N 3.43Å
758	P	73.5	Confident	82.9	Confident	67 Å²	67	34.4 Å²	34.4	44%	0.435	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.2	177.6	28.7	-35.3	0	0	0	112.9	N687	N687-P758 PolarHBondContact ND2-O 3.27Å
759	H	80.2	Confident	83	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-79.6	-13.9	178.4	59.6	-79.1	0	0	0	115.4	V686 N687 T754 G757 D761 T762 L763	V686-H759 HydrophobicContact CB-CB 4.43Å; V686-H759 HydrophobicContact CG1-CB 3.96Å; N687-H759 HydrophobicContact CB-CB 4.46Å; N687-H759 VanDerWaalsContact CG-CA 3.5Å; N687-H759 WeakPolarHBondContact ND2-CA 3.5Å; N687-H759 PolarHBondContact ND2-N 3.44Å; N687-H759 WeakPolarHBondContact OD1-CA 3.16Å; T754-H759 PolarHBondContact O-CE1 3.05Å; T754-H759 PolarHBondContact O-NE2 3.37Å; G757-H759 PolarHBondContact O-N 2.8Å; G757-H759 VanDerWaalsContact O-N 3.11Å; H759-D761 PolarHBondContact O-N 2.69Å; H759-T762 PolarHBondContact O-N 2.94Å; H759-L763 VanDerWaalsContact O-CB 3.28Å; H759-L763 WeakPolarHBondContact O-CB 3.32Å; H759-L763 PolarHBondContact O-N 2.86Å
760	L	86.2	Confident	83.1	Confident	9 Å²	9	38.5 Å²	38.5	5%	0.047	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-44.2	-179	-72.4	177.7	0	0	0	113.5	M755 G757 L763 F764 V790	M755-L760 HydrophobicContact CB-CD2 3.86Å; M755-L760 HydrophobicContact CE-CD2 4.21Å; M755-L760 WeakPolarHBondContact O-CD1 3.31Å; M755-L760 HydrophobicContact SD-CD2 3.98Å; G757-L760 PolarHBondContact O-N 3.43Å; L760-L763 PolarHBondContact O-N 3.3Å; L760-F764 HydrophobicContact CB-CE2 4.34Å; L760-F764 HydrophobicContact CB-CZ 4.4Å; L760-F764 HydrophobicContact CD2-CE1 4.31Å; L760-F764 HydrophobicContact CD2-CZ 4.11Å; L760-F764 WeakPolarHBondContact O-CB 3.21Å; L760-F764 WeakPolarHBondContact O-CD2 3.31Å; L760-F764 WeakPolarHBondContact O-CG 3.26Å; L760-F764 PolarHBondContact O-N 2.78Å; L760-V790 HydrophobicContact CD1-CG2 4.46Å
761	D	82.2	Confident	83.2	Confident	36 Å²	36	36.7 Å²	36.7	19%	0.193	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-47.7	-179.9	177.7	81.1	0	0	0	110.7	H759 L763 F764 R765 N825 N828	H759-D761 PolarHBondContact O-N 2.69Å; D761-L763 PolarHBondContact O-N 2.91Å; D761-F764 PolarHBondContact O-N 2.93Å; D761-R765 VanDerWaalsContact CG-NE 3.34Å; D761-R765 WeakPolarHBondContact O-CB 3.46Å; D761-R765 VanDerWaalsContact O-CG 3.29Å; D761-R765 WeakPolarHBondContact O-CG 3.45Å; D761-R765 PolarHBondContact O-N 2.82Å; D761-R765 IonicContact OD1-CZ 3.93Å; D761-R765 IonicContact OD1-NE 2.89Å; D761-R765 PolarHBondContact OD1-NE 3.11Å; D761-R765 IonicContact OD1-NH2 2.77Å; D761-R765 PolarHBondContact OD1-NH2 3.01Å; D761-R765 IonicContact OD2-CZ 3.02Å; D761-R765 IonicContact OD2-NE 3.8Å; D761-R765 PolarHBondContact OD2-NE 3.2Å; D761-R765 IonicContact OD2-NH2 2.91Å; D761-N825 PolarHBondContact OD2-ND2 2.92Å; D761-N828 PolarHBondContact OD2-ND2 2.92Å
762	T	84.8	Confident	83.3	Confident	19 Å²	19	36.9 Å²	36.9	12%	0.117	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-41.5	175.9	-49.4	0	0	0	0	111.9	N687 I719 H759 R765 C766 N828	N687-T762 WeakPolarHBondContact OD1-CB 3.3Å; N687-T762 PolarHBondContact OD1-OG1 3.23Å; I719-T762 HydrophobicContact CD1-CG2 4.3Å; I719-T762 HydrophobicContact CG2-CG2 4.02Å; H759-T762 PolarHBondContact O-N 2.94Å; T762-R765 PolarHBondContact O-N 2.77Å; T762-C766 WeakPolarHBondContact O-CB 3.27Å; T762-C766 PolarHBondContact O-N 3.42Å; T762-C766 PolarHBondContact O-SG 2.88Å; T762-N828 PolarHBondContact OG1-ND2 3.14Å
763	L	89	Confident	83.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-48.6	175.8	177.9	59.8	0	0	0	111.5	I715 I718 I719 M755 H759 L760 D761 R765 C766 W767	I715-L763 HydrophobicContact CD1-CD2 4.21Å; I715-L763 HydrophobicContact CG1-CD2 4.25Å; I715-L763 HydrophobicContact CG2-CB 4.37Å; I715-L763 HydrophobicContact CG2-CD1 3.82Å; I715-L763 HydrophobicContact CG2-CD2 3.88Å; I715-L763 HydrophobicContact CG2-CG 4.22Å; I718-L763 HydrophobicContact CB-CD1 4.28Å; I718-L763 HydrophobicContact CG2-CD1 3.95Å; I719-L763 HydrophobicContact CD1-CB 4.24Å; I719-L763 HydrophobicContact CG1-CB 4.48Å; I719-L763 HydrophobicContact CG1-CD1 4.15Å; M755-L763 HydrophobicContact SD-CD2 3.76Å; H759-L763 VanDerWaalsContact O-CB 3.28Å; H759-L763 WeakPolarHBondContact O-CB 3.32Å; H759-L763 PolarHBondContact O-N 2.86Å; L760-L763 PolarHBondContact O-N 3.3Å; D761-L763 PolarHBondContact O-N 2.91Å; L763-R765 VanDerWaalsContact C-N 3.32Å; L763-R765 PolarHBondContact O-N 2.79Å; L763-C766 CarbonylContact O-C 3.51Å; L763-C766 PolarHBondContact O-N 3.31Å; L763-W767 HydrophobicContact CD1-CE3 3.56Å; L763-W767 HydrophobicContact CD1-CZ3 3.68Å; L763-W767 HydrophobicContact CD2-CE3 4.39Å; L763-W767 HydrophobicContact CD2-CZ3 4.05Å; L763-W767 HydrophobicContact CG-CE3 3.79Å; L763-W767 HydrophobicContact CG-CZ3 3.93Å; L763-W767 WeakPolarHBondContact O-CB 3.24Å; L763-W767 PolarHBondContact O-N 3.23Å
764	F	89.9	Confident	84	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-36.7	179.5	-62.5	-16.4	0	0	0	111.7	M755 L760 D761 W767 L775 V790 Q793 L794 V797 R801	M755-F764 HydrophobicContact CE-CE1 3.99Å; M755-F764 HydrophobicContact CE-CZ 4.35Å; L760-F764 HydrophobicContact CB-CE2 4.34Å; L760-F764 HydrophobicContact CB-CZ 4.4Å; L760-F764 HydrophobicContact CD2-CE1 4.31Å; L760-F764 HydrophobicContact CD2-CZ 4.11Å; L760-F764 WeakPolarHBondContact O-CB 3.21Å; L760-F764 WeakPolarHBondContact O-CD2 3.31Å; L760-F764 WeakPolarHBondContact O-CG 3.26Å; L760-F764 PolarHBondContact O-N 2.78Å; D761-F764 PolarHBondContact O-N 2.93Å; F764-W767 PolarHBondContact O-N 3.28Å; F764-L775 HydrophobicContact CD1-CD1 3.99Å; F764-L775 HydrophobicContact CD1-CD2 3.79Å; F764-L775 HydrophobicContact CD1-CG 4.37Å; F764-L775 HydrophobicContact CE1-CD1 3.82Å; F764-L775 HydrophobicContact CE1-CD2 4.37Å; F764-L775 HydrophobicContact CE1-CG 4.47Å; F764-L775 HydrophobicContact CG-CD2 4.46Å; F764-V790 HydrophobicContact CE2-CG1 4.13Å; F764-V790 HydrophobicContact CZ-CG1 3.72Å; F764-Q793 HydrophobicContact CE2-CB 4.19Å; F764-L794 HydrophobicContact CB-CD1 4.13Å; F764-L794 HydrophobicContact CD1-CD1 4.25Å; F764-L794 HydrophobicContact CD2-CB 4.03Å; F764-L794 HydrophobicContact CD2-CD1 4.2Å; F764-L794 HydrophobicContact CE2-CB 3.95Å; F764-L794 HydrophobicContact CG-CD1 3.94Å; F764-L794 HydrophobicContact CZ-CB 4.44Å; F764-V797 HydrophobicContact CB-CB 4.07Å; F764-V797 HydrophobicContact CB-CG1 3.84Å; F764-V797 HydrophobicContact CB-CG2 4.09Å; F764-R801 PolarHBondContact O-NH1 2.93Å
765	R	86.1	Confident	84.4	Confident	34 Å²	34	38.1 Å²	38.1	13%	0.128	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-37.3	174.8	-72.3	177.2	-166.7	-72.6	-16.7	112.2	D761 T762 L763 V797 N800 R801 E834	D761-R765 VanDerWaalsContact CG-NE 3.34Å; D761-R765 WeakPolarHBondContact O-CB 3.46Å; D761-R765 VanDerWaalsContact O-CG 3.29Å; D761-R765 WeakPolarHBondContact O-CG 3.45Å; D761-R765 PolarHBondContact O-N 2.82Å; D761-R765 IonicContact OD1-CZ 3.93Å; D761-R765 IonicContact OD1-NE 2.89Å; D761-R765 PolarHBondContact OD1-NE 3.11Å; D761-R765 IonicContact OD1-NH2 2.77Å; D761-R765 PolarHBondContact OD1-NH2 3.01Å; D761-R765 IonicContact OD2-CZ 3.02Å; D761-R765 IonicContact OD2-NE 3.8Å; D761-R765 PolarHBondContact OD2-NE 3.2Å; D761-R765 IonicContact OD2-NH2 2.91Å; T762-R765 PolarHBondContact O-N 2.77Å; L763-R765 VanDerWaalsContact C-N 3.32Å; L763-R765 PolarHBondContact O-N 2.79Å; R765-V797 HydrophobicContact CB-CG1 4.38Å; R765-V797 HydrophobicContact CG-CG1 3.69Å; R765-V797 HydrophobicContact CG-CG2 4.31Å; R765-N800 PolarHBondContact NH1-OD1 2.74Å; R765-N800 PolarHBondContact NH2-OD1 3.16Å; R765-N800 VanDerWaalsContact NH2-OD1 3.17Å; R765-R801 PolarHBondContact O-NH1 3.49Å; R765-E834 IonicContact NH1-OE1 3.22Å; R765-E834 PolarHBondContact NH1-OE1 3.01Å; R765-E834 VanDerWaalsContact NH1-OE1 3.08Å
766	C	86.7	Confident	84.8	Confident	11 Å²	11	38.8 Å²	38.8	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-87.5	-3.9	179.9	-66.6	0	0	0	0	113.8	I719 S722 T762 L763	I719-C766 HydrophobicContact CG1-CB 4.27Å; S722-C766 WeakPolarHBondContact CB-O 3.44Å; S722-C766 WeakPolarHBondContact OG-CA 3.49Å; S722-C766 PolarHBondContact OG-O 3.32Å; T762-C766 WeakPolarHBondContact O-CB 3.27Å; T762-C766 PolarHBondContact O-N 3.42Å; T762-C766 PolarHBondContact O-SG 2.88Å; L763-C766 CarbonylContact O-C 3.51Å; L763-C766 PolarHBondContact O-N 3.31Å
767	W	89	Confident	85.5	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	20%	0.201	C	C	.	.	S	Bend	trans	-66.5	136.4	-176.4	-157.7	-88.2	0	0	0	110.8	I718 I740 L743 L763 F764 T769 Q771 L775 I778 R801	I718-W767 HydrophobicContact CD1-CH2 4.18Å; I718-W767 HydrophobicContact CD1-CZ3 3.97Å; I718-W767 HydrophobicContact CG2-CE3 4.25Å; I740-W767 HydrophobicContact CB-CZ2 4.23Å; I740-W767 HydrophobicContact CD1-CD2 4.39Å; I740-W767 HydrophobicContact CD1-CH2 4.31Å; I740-W767 HydrophobicContact CD1-CZ2 3.66Å; I740-W767 HydrophobicContact CG1-CH2 3.86Å; I740-W767 HydrophobicContact CG1-CZ2 3.56Å; I740-W767 HydrophobicContact CG2-CH2 4.43Å; I740-W767 HydrophobicContact CG2-CZ2 3.73Å; L743-W767 HydrophobicContact CD1-CH2 4.12Å; L743-W767 HydrophobicContact CD1-CZ3 4.37Å; L763-W767 HydrophobicContact CD1-CE3 3.56Å; L763-W767 HydrophobicContact CD1-CZ3 3.68Å; L763-W767 HydrophobicContact CD2-CE3 4.39Å; L763-W767 HydrophobicContact CD2-CZ3 4.05Å; L763-W767 HydrophobicContact CG-CE3 3.79Å; L763-W767 HydrophobicContact CG-CZ3 3.93Å; L763-W767 WeakPolarHBondContact O-CB 3.24Å; L763-W767 PolarHBondContact O-N 3.23Å; F764-W767 PolarHBondContact O-N 3.28Å; W767-T769 PolarHBondContact O-N 3.19Å; W767-Q771 PolarHBondContact NE1-O 3.34Å; W767-L775 HydrophobicContact CB-CD2 3.87Å; W767-L775 HydrophobicContact CD2-CB 4.14Å; W767-L775 HydrophobicContact CD2-CD1 4.01Å; W767-L775 HydrophobicContact CD2-CD2 3.81Å; W767-L775 HydrophobicContact CD2-CG 4.21Å; W767-L775 HydrophobicContact CE3-CD1 3.91Å; W767-L775 HydrophobicContact CE3-CD2 4.23Å; W767-L775 HydrophobicContact CG-CB 4.29Å; W767-L775 HydrophobicContact CG-CD2 3.64Å; W767-L775 HydrophobicContact CG-CG 4.42Å; W767-L775 HydrophobicContact CH2-CD1 4.02Å; W767-L775 HydrophobicContact CZ2-CB 4.1Å; W767-L775 HydrophobicContact CZ2-CD1 4.1Å; W767-L775 HydrophobicContact CZ3-CD1 3.93Å; W767-I778 HydrophobicContact CH2-CD1 3.96Å; W767-I778 HydrophobicContact CZ2-CD1 4.21Å; W767-R801 VanDerWaalsContact O-CZ 3.3Å; W767-R801 PolarHBondContact O-NH1 3.14Å; W767-R801 PolarHBondContact O-NH2 3.42Å
768	P	86.7	Confident	86.3	Confident	35 Å²	35	34 Å²	34	23%	0.227	19%	0.187	C	C	.	.			trans	-59.8	130.7	179.1	-23.1	32.5	0	0	0	111.9	V736 I740 E770 Q771 I772	V736-P768 HydrophobicContact CG1-CG 3.68Å; I740-P768 HydrophobicContact CD1-CG 4.14Å; P768-E770 PolarHBondContact O-N 3.49Å; P768-Q771 HydrophobicContact CB-CB 4.39Å; P768-Q771 PolarHBondContact O-N 2.82Å; P768-I772 PolarHBondContact O-N 2.77Å
769	T	84.1	Confident	86.9	Confident	82 Å²	82	30.9 Å²	30.9	50%	0.503	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-58.1	-35.7	-177.1	-49.8	0	0	0	0	112.2	W767 Q771 I772 R801 L803	W767-T769 PolarHBondContact O-N 3.19Å; T769-Q771 PolarHBondContact O-N 3.02Å; T769-I772 HydrophobicContact CG2-CD1 4.01Å; T769-I772 WeakPolarHBondContact O-CG1 3.28Å; T769-I772 PolarHBondContact O-N 2.96Å; T769-R801 PolarHBondContact OG1-NH2 3.11Å; T769-L803 HydrophobicContact CG2-CD1 4.09Å
770	E	84.9	Confident	87.1	Confident	167 Å²	167	34.6 Å²	34.6	78%	0.78	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-66.8	-21.4	178.4	-62.3	175.6	-171.1	0	0	113.6	P768	P768-E770 PolarHBondContact O-N 3.49Å
771	Q	87.7	Confident	87.1	Confident	18 Å²	18	37.4 Å²	37.4	8%	0.084	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-112.9	18.4	-175.8	-64.2	-178.6	48.4	0	0	112.3	I740 W767 P768 T769 P773 D774 L775	I740-Q771 HydrophobicContact CD1-CB 4.16Å; W767-Q771 PolarHBondContact NE1-O 3.34Å; P768-Q771 HydrophobicContact CB-CB 4.39Å; P768-Q771 PolarHBondContact O-N 2.82Å; T769-Q771 PolarHBondContact O-N 3.02Å; Q771-P773 VanDerWaalsContact C-CD 3.41Å; Q771-P773 VanDerWaalsContact C-N 3.33Å; Q771-D774 WeakPolarHBondContact O-CB 3.33Å; Q771-D774 PolarHBondContact O-N 3.27Å; Q771-L775 PolarHBondContact O-N 3.49Å
772	I	87.7	Confident	87.2	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-37.7	172.8	-68.7	171.2	0	0	0	112.5	P768 T769 D774 L775 V776 L798 L803 L806	P768-I772 PolarHBondContact O-N 2.77Å; T769-I772 HydrophobicContact CG2-CD1 4.01Å; T769-I772 WeakPolarHBondContact O-CG1 3.28Å; T769-I772 PolarHBondContact O-N 2.96Å; I772-D774 PolarHBondContact O-N 3.47Å; I772-L775 WeakPolarHBondContact O-CB 3.47Å; I772-L775 PolarHBondContact O-N 3.13Å; I772-L775 VanDerWaalsContact O-N 3.07Å; I772-V776 HydrophobicContact CG2-CG2 4.26Å; I772-V776 WeakPolarHBondContact O-CG2 3.46Å; I772-V776 PolarHBondContact O-N 3.46Å; I772-L798 HydrophobicContact CD1-CD2 3.83Å; I772-L798 HydrophobicContact CG1-CD2 4.34Å; I772-L798 HydrophobicContact CG2-CD1 4.36Å; I772-L798 HydrophobicContact CG2-CD2 3.87Å; I772-L803 HydrophobicContact CD1-CD1 3.23Å; I772-L806 HydrophobicContact CB-CD1 4.4Å; I772-L806 HydrophobicContact CD1-CD1 4.47Å; I772-L806 HydrophobicContact CG2-CD1 3.69Å
773	P	87.9	Confident	86.9	Confident	82 Å²	82	35 Å²	35	53%	0.532	18%	0.182	S	C	.	.	H	α-helix	trans	-54.6	-39.4	174.4	-27.7	36.6	0	0	0	113	Q771 L775 V776 I777	Q771-P773 VanDerWaalsContact C-CD 3.41Å; Q771-P773 VanDerWaalsContact C-N 3.33Å; P773-L775 PolarHBondContact O-N 2.91Å; P773-V776 PolarHBondContact O-N 3Å; P773-I777 WeakPolarHBondContact O-CG1 3.36Å; P773-I777 PolarHBondContact O-N 3.24Å; P773-I777 VanDerWaalsContact O-N 3.11Å
774	D	90	Very high	86.3	Confident	45 Å²	45	43.6 Å²	43.6	24%	0.241	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-40.7	177.3	-62.3	-52.8	0	0	0	112	I740 Q744 Q771 I772 I777 I778	I740-D774 HydrophobicContact CG2-CB 3.92Å; Q744-D774 VanDerWaalsContact NE2-CA 3.27Å; Q744-D774 VanDerWaalsContact NE2-CG 3.28Å; Q744-D774 PolarHBondContact NE2-OD1 3.34Å; Q771-D774 WeakPolarHBondContact O-CB 3.33Å; Q771-D774 PolarHBondContact O-N 3.27Å; I772-D774 PolarHBondContact O-N 3.47Å; D774-I777 PolarHBondContact O-N 3.08Å; D774-I778 WeakPolarHBondContact O-CG1 3.41Å; D774-I778 PolarHBondContact O-N 2.93Å
775	L	90.1	Very high	85.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-37.7	175.9	-173.5	56.9	0	0	0	112.5	F764 W767 Q771 I772 P773 I777 I778 T779 L794	F764-L775 HydrophobicContact CD1-CD1 3.99Å; F764-L775 HydrophobicContact CD1-CD2 3.79Å; F764-L775 HydrophobicContact CD1-CG 4.37Å; F764-L775 HydrophobicContact CE1-CD1 3.82Å; F764-L775 HydrophobicContact CE1-CD2 4.37Å; F764-L775 HydrophobicContact CE1-CG 4.47Å; F764-L775 HydrophobicContact CG-CD2 4.46Å; W767-L775 HydrophobicContact CB-CD2 3.87Å; W767-L775 HydrophobicContact CD2-CB 4.14Å; W767-L775 HydrophobicContact CD2-CD1 4.01Å; W767-L775 HydrophobicContact CD2-CD2 3.81Å; W767-L775 HydrophobicContact CD2-CG 4.21Å; W767-L775 HydrophobicContact CE3-CD1 3.91Å; W767-L775 HydrophobicContact CE3-CD2 4.23Å; W767-L775 HydrophobicContact CG-CB 4.29Å; W767-L775 HydrophobicContact CG-CD2 3.64Å; W767-L775 HydrophobicContact CG-CG 4.42Å; W767-L775 HydrophobicContact CH2-CD1 4.02Å; W767-L775 HydrophobicContact CZ2-CB 4.1Å; W767-L775 HydrophobicContact CZ2-CD1 4.1Å; W767-L775 HydrophobicContact CZ3-CD1 3.93Å; Q771-L775 PolarHBondContact O-N 3.49Å; I772-L775 WeakPolarHBondContact O-CB 3.47Å; I772-L775 PolarHBondContact O-N 3.13Å; I772-L775 VanDerWaalsContact O-N 3.07Å; P773-L775 PolarHBondContact O-N 2.91Å; L775-I777 VanDerWaalsContact C-N 3.3Å; L775-I777 PolarHBondContact O-N 2.92Å; L775-I778 PolarHBondContact O-N 3.14Å; L775-T779 VanDerWaalsContact O-CB 3.32Å; L775-T779 WeakPolarHBondContact O-CB 3.36Å; L775-T779 PolarHBondContact O-N 3.48Å; L775-T779 PolarHBondContact O-OG1 3.22Å; L775-L794 HydrophobicContact CD2-CD1 3.46Å; L775-L794 VanDerWaalsContact CD2-CD1 3.46Å; L775-L794 HydrophobicContact CD2-CD2 4.27Å; L775-L794 HydrophobicContact CG-CD1 4.07Å; L775-L794 HydrophobicContact CG-CD2 3.94Å
776	V	88.2	Confident	84.7	Confident	15 Å²	15	48.4 Å²	48.4	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-40.1	174.7	172.5	0	0	0	0	110.4	I772 P773 T779 K780 L794 L810	I772-V776 HydrophobicContact CG2-CG2 4.26Å; I772-V776 WeakPolarHBondContact O-CG2 3.46Å; I772-V776 PolarHBondContact O-N 3.46Å; P773-V776 PolarHBondContact O-N 3Å; V776-T779 PolarHBondContact O-N 3.16Å; V776-K780 HydrophobicContact CG1-CD 4.21Å; V776-K780 WeakPolarHBondContact O-CB 3.24Å; V776-K780 WeakPolarHBondContact O-CG 3.41Å; V776-K780 PolarHBondContact O-N 3.24Å; V776-L794 HydrophobicContact CG2-CD2 4.46Å; V776-L810 HydrophobicContact CB-CD2 4.4Å; V776-L810 HydrophobicContact CG1-CD2 3.94Å; V776-L810 HydrophobicContact CG2-CD2 4.18Å; V776-L810 HydrophobicContact CG2-CG 4.45Å
777	I	87.9	Confident	83.7	Confident	86 Å²	86	49.2 Å²	49.2	44%	0.441	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-48.5	175.6	-66.3	166.8	0	0	0	110.9	P773 D774 L775 T779 K780 K781	P773-I777 WeakPolarHBondContact O-CG1 3.36Å; P773-I777 PolarHBondContact O-N 3.24Å; P773-I777 VanDerWaalsContact O-N 3.11Å; D774-I777 PolarHBondContact O-N 3.08Å; L775-I777 VanDerWaalsContact C-N 3.3Å; L775-I777 PolarHBondContact O-N 2.92Å; I777-T779 VanDerWaalsContact C-N 3.29Å; I777-T779 PolarHBondContact O-N 3.26Å; I777-K780 PolarHBondContact O-N 3.36Å; I777-K781 PolarHBondContact O-N 3.4Å
778	I	88.9	Confident	82.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-44.4	177	-65.9	169.9	0	0	0	110.2	L743 Q744 L751 M755 W767 D774 L775 K780 K781 L782	L743-I778 HydrophobicContact CB-CD1 4.19Å; Q744-I778 HydrophobicContact CG-CD1 3.87Å; Q744-I778 HydrophobicContact CG-CG1 3.89Å; L751-I778 HydrophobicContact CD1-CG2 4.18Å; L751-I778 HydrophobicContact CD2-CG2 3.83Å; M755-I778 HydrophobicContact CE-CG2 3.64Å; W767-I778 HydrophobicContact CH2-CD1 3.96Å; W767-I778 HydrophobicContact CZ2-CD1 4.21Å; D774-I778 WeakPolarHBondContact O-CG1 3.41Å; D774-I778 PolarHBondContact O-N 2.93Å; L775-I778 PolarHBondContact O-N 3.14Å; I778-K780 PolarHBondContact O-N 3.15Å; I778-K781 WeakPolarHBondContact O-CB 3.34Å; I778-K781 PolarHBondContact O-N 2.97Å; I778-K781 VanDerWaalsContact O-N 3.15Å; I778-L782 HydrophobicContact CG2-CD1 4.44Å; I778-L782 PolarHBondContact O-N 2.82Å; I778-L782 VanDerWaalsContact O-N 3.13Å
779	T	87.7	Confident	82.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-37.5	-177.9	-55.4	0	0	0	0	112.1	L775 V776 I777 K781 L782 S783 V790 L794 L810	L775-T779 VanDerWaalsContact O-CB 3.32Å; L775-T779 WeakPolarHBondContact O-CB 3.36Å; L775-T779 PolarHBondContact O-N 3.48Å; L775-T779 PolarHBondContact O-OG1 3.22Å; V776-T779 PolarHBondContact O-N 3.16Å; I777-T779 VanDerWaalsContact C-N 3.29Å; I777-T779 PolarHBondContact O-N 3.26Å; T779-K781 VanDerWaalsContact C-N 3.35Å; T779-L782 WeakPolarHBondContact O-CB 3.35Å; T779-L782 PolarHBondContact O-N 2.8Å; T779-L782 VanDerWaalsContact O-N 3.17Å; T779-S783 PolarHBondContact O-N 3.4Å; T779-V790 HydrophobicContact CG2-CG1 3.99Å; T779-L794 HydrophobicContact CG2-CB 4.42Å; T779-L794 HydrophobicContact CG2-CD2 4.06Å; T779-L794 VanDerWaalsContact OG1-CD2 3.29Å; T779-L794 WeakPolarHBondContact OG1-CD2 3.47Å; T779-L810 HydrophobicContact CG2-CD2 4.25Å
780	K	84.3	Confident	82.5	Confident	78 Å²	78	49.9 Å²	49.9	34%	0.339	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-30.6	172.3	-75.6	179.8	177	-178.2	0	113.3	V776 I777 I778 L782 S783 K784 T809	V776-K780 HydrophobicContact CG1-CD 4.21Å; V776-K780 WeakPolarHBondContact O-CB 3.24Å; V776-K780 WeakPolarHBondContact O-CG 3.41Å; V776-K780 PolarHBondContact O-N 3.24Å; I777-K780 PolarHBondContact O-N 3.36Å; I778-K780 PolarHBondContact O-N 3.15Å; K780-L782 VanDerWaalsContact C-N 3.31Å; K780-S783 PolarHBondContact O-OG 3.48Å; K780-K784 WeakPolarHBondContact O-CG 3.46Å; K780-K784 PolarHBondContact O-N 3.24Å; K780-T809 WeakPolarHBondContact CE-O 3.49Å; K780-T809 PolarHBondContact NZ-O 3.25Å
781	K	85.7	Confident	82.6	Confident	68 Å²	68	42.3 Å²	42.3	30%	0.296	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-38.9	170.3	-71.6	-177.3	179.7	-176.7	0	110.9	Q744 L751 I777 I778 T779	Q744-K781 PolarHBondContact O-NZ 3.03Å; L751-K781 HydrophobicContact CD1-CB 4.37Å; L751-K781 HydrophobicContact CD1-CD 4.03Å; I777-K781 PolarHBondContact O-N 3.4Å; I778-K781 WeakPolarHBondContact O-CB 3.34Å; I778-K781 PolarHBondContact O-N 2.97Å; I778-K781 VanDerWaalsContact O-N 3.15Å; T779-K781 VanDerWaalsContact C-N 3.35Å
782	L	83.8	Confident	82.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-72.1	-38.2	177.5	-68.9	171.1	0	0	0	113.2	L751 M755 I778 T779 K780 K784 L785 L787 V790	L751-L782 HydrophobicContact CB-CD2 3.84Å; L751-L782 HydrophobicContact CB-CG 4.46Å; M755-L782 HydrophobicContact CB-CD1 3.65Å; M755-L782 HydrophobicContact CB-CD2 4.5Å; M755-L782 HydrophobicContact CE-CD1 3.57Å; M755-L782 HydrophobicContact CG-CD1 4.08Å; I778-L782 HydrophobicContact CG2-CD1 4.44Å; I778-L782 PolarHBondContact O-N 2.82Å; I778-L782 VanDerWaalsContact O-N 3.13Å; T779-L782 WeakPolarHBondContact O-CB 3.35Å; T779-L782 PolarHBondContact O-N 2.8Å; T779-L782 VanDerWaalsContact O-N 3.17Å; K780-L782 VanDerWaalsContact C-N 3.31Å; L782-K784 VanDerWaalsContact C-N 3.25Å; L782-K784 PolarHBondContact O-N 3.01Å; L782-L785 PolarHBondContact O-N 3.41Å; L782-L787 HydrophobicContact CD2-CD1 4.34Å; L782-V790 HydrophobicContact CD1-CG1 4.19Å
783	S	78.6	Confident	82.7	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-37.2	178.6	70.2	0	0	0	0	111.8	T779 K780 L785 G786 N788 E812	T779-S783 PolarHBondContact O-N 3.4Å; K780-S783 PolarHBondContact O-OG 3.48Å; S783-L785 PolarHBondContact O-N 2.96Å; S783-L785 VanDerWaalsContact O-N 3.14Å; S783-G786 PolarHBondContact O-N 3.48Å; S783-N788 PolarHBondContact O-OD1 3.49Å; S783-E812 PolarHBondContact OG-OE1 3.47Å; S783-E812 VanDerWaalsContact OG-OE1 3.06Å
784	K	76.6	Confident	82.8	Confident	180 Å²	180	41.5 Å²	41.5	78%	0.783	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.5	174.7	-70	178.1	-177.9	-176.2	0	114.4	K780 L782 G786	K780-K784 WeakPolarHBondContact O-CG 3.46Å; K780-K784 PolarHBondContact O-N 3.24Å; L782-K784 VanDerWaalsContact C-N 3.25Å; L782-K784 PolarHBondContact O-N 3.01Å; K784-G786 VanDerWaalsContact C-N 3.29Å
785	L	75.1	Confident	82.9	Confident	75 Å²	75	39.4 Å²	39.4	39%	0.393	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	10.6	173.6	-65.3	177.1	0	0	0	113.1	S748 Y752 L782 S783	S748-L785 WeakPolarHBondContact O-CD1 3.46Å; Y752-L785 HydrophobicContact CD2-CB 4.26Å; Y752-L785 HydrophobicContact CD2-CD1 4.1Å; Y752-L785 HydrophobicContact CG-CD1 4.28Å; L782-L785 PolarHBondContact O-N 3.41Å; S783-L785 PolarHBondContact O-N 2.96Å; S783-L785 VanDerWaalsContact O-N 3.14Å
786	G	66.7	Low	83	Confident	61 Å²	61	39.3 Å²	39.3	63%	0.629	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	9.6	179	0	0	0	0	0	114.6	S783 K784 N788	S783-G786 PolarHBondContact O-N 3.48Å; K784-G786 VanDerWaalsContact C-N 3.29Å; G786-N788 VanDerWaalsContact C-N 3.27Å; G786-N788 PolarHBondContact O-N 2.91Å
787	L	65.7	Low	83.1	Confident	28 Å²	28	38.7 Å²	38.7	15%	0.147	21%	0.207	C	C	.	.			trans	-88.1	52.5	176.7	-72.4	176.3	0	0	0	112.3	Y752 L782 S789 V790	Y752-L787 HydrophobicContact CD2-CD1 3.26Å; Y752-L787 HydrophobicContact CD2-CG 3.91Å; Y752-L787 HydrophobicContact CE2-CD1 3.38Å; Y752-L787 HydrophobicContact CE2-CD2 3.92Å; Y752-L787 HydrophobicContact CE2-CG 3.6Å; Y752-L787 HydrophobicContact CG-CD1 4.29Å; L782-L787 HydrophobicContact CD2-CD1 4.34Å; L787-S789 PolarHBondContact O-N 2.88Å; L787-V790 HydrophobicContact CB-CG2 3.89Å; L787-V790 HydrophobicContact CD1-CG2 4.26Å; L787-V790 PolarHBondContact O-N 2.82Å
788	N	71	Confident	83.3	Confident	76 Å²	76	34.7 Å²	34.7	41%	0.406	19%	0.187	S	C	.	.	H	α-helix	trans	-57.8	-23	180	-66.8	0.2	0	0	0	112.9	S783 G786 V790 S791 L792	S783-N788 PolarHBondContact O-OD1 3.49Å; G786-N788 VanDerWaalsContact C-N 3.27Å; G786-N788 PolarHBondContact O-N 2.91Å; N788-V790 VanDerWaalsContact C-N 3.27Å; N788-V790 PolarHBondContact O-N 3.15Å; N788-S791 PolarHBondContact O-N 3.17Å; N788-L792 PolarHBondContact O-N 3.38Å
789	S	79	Confident	83.5	Confident	53 Å²	53	34.7 Å²	34.7	37%	0.371	19%	0.187	S	C	.	.	H	α-helix	trans	-63.9	-29.3	174.5	62.5	0	0	0	0	113.4	L787 L792 Q793	L787-S789 PolarHBondContact O-N 2.88Å; S789-L792 PolarHBondContact O-N 3.18Å; S789-Q793 WeakPolarHBondContact O-CB 3.28Å; S789-Q793 VanDerWaalsContact O-CG 3.25Å; S789-Q793 WeakPolarHBondContact O-CG 3.48Å; S789-Q793 PolarHBondContact O-N 2.92Å
790	V	84.8	Confident	83.6	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-70.3	-40	-179.7	-177.4	0	0	0	0	110.1	L760 F764 T779 L782 L787 N788 L792 Q793 L794	L760-V790 HydrophobicContact CD1-CG2 4.46Å; F764-V790 HydrophobicContact CE2-CG1 4.13Å; F764-V790 HydrophobicContact CZ-CG1 3.72Å; T779-V790 HydrophobicContact CG2-CG1 3.99Å; L782-V790 HydrophobicContact CD1-CG1 4.19Å; L787-V790 HydrophobicContact CB-CG2 3.89Å; L787-V790 HydrophobicContact CD1-CG2 4.26Å; L787-V790 PolarHBondContact O-N 2.82Å; N788-V790 VanDerWaalsContact C-N 3.27Å; N788-V790 PolarHBondContact O-N 3.15Å; V790-L792 VanDerWaalsContact C-N 3.33Å; V790-L792 PolarHBondContact O-N 3.44Å; V790-Q793 PolarHBondContact O-N 3.15Å; V790-L794 PolarHBondContact O-N 3.05Å
791	S	87.2	Confident	83.9	Confident	7 Å²	7	34.3 Å²	34.3	5%	0.049	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-41.6	173	-54.6	0	0	0	0	112.2	N788 A795	N788-S791 PolarHBondContact O-N 3.17Å; S791-A795 VanDerWaalsContact O-CB 3.23Å; S791-A795 WeakPolarHBondContact O-CB 3.37Å; S791-A795 PolarHBondContact O-N 3.38Å
792	L	89	Confident	84.1	Confident	18 Å²	18	33.2 Å²	33.2	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-69.5	-37.8	176.1	-72.8	176.2	0	0	0	112.9	N788 S789 V790 A795 G796 L811 N814 F821	N788-L792 PolarHBondContact O-N 3.38Å; S789-L792 PolarHBondContact O-N 3.18Å; V790-L792 VanDerWaalsContact C-N 3.33Å; V790-L792 PolarHBondContact O-N 3.44Å; L792-A795 PolarHBondContact O-N 3.01Å; L792-G796 PolarHBondContact O-N 3.48Å; L792-L811 HydrophobicContact CD2-CD2 4.06Å; L792-N814 HydrophobicContact CD2-CB 4.39Å; L792-F821 HydrophobicContact CB-CD1 3.98Å; L792-F821 HydrophobicContact CB-CD2 4.24Å; L792-F821 HydrophobicContact CB-CE1 3.81Å; L792-F821 HydrophobicContact CB-CE2 4.09Å; L792-F821 HydrophobicContact CB-CG 4.19Å; L792-F821 HydrophobicContact CB-CZ 3.87Å; L792-F821 HydrophobicContact CD1-CE2 3.85Å; L792-F821 HydrophobicContact CD1-CZ 3.93Å
793	Q	87.7	Confident	84.4	Confident	70 Å²	70	35.3 Å²	35.3	33%	0.327	20%	0.203	S	C	.	.	H	α-helix	trans	-62.8	-47.6	174	-76.9	172.8	2.9	0	0	111.3	F764 S789 V790 G796 V797 F821	F764-Q793 HydrophobicContact CE2-CB 4.19Å; S789-Q793 WeakPolarHBondContact O-CB 3.28Å; S789-Q793 VanDerWaalsContact O-CG 3.25Å; S789-Q793 WeakPolarHBondContact O-CG 3.48Å; S789-Q793 PolarHBondContact O-N 2.92Å; V790-Q793 PolarHBondContact O-N 3.15Å; Q793-G796 PolarHBondContact O-N 2.75Å; Q793-V797 WeakPolarHBondContact O-CG2 3.46Å; Q793-V797 PolarHBondContact O-N 3Å; Q793-F821 HydrophobicContact CG-CD1 3.88Å; Q793-F821 HydrophobicContact CG-CE1 3.91Å
794	L	91	Very high	84.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-46.6	175.3	177	58.6	0	0	0	110.9	F764 L775 V776 T779 V790 G796 V797 L798 L810	F764-L794 HydrophobicContact CB-CD1 4.13Å; F764-L794 HydrophobicContact CD1-CD1 4.25Å; F764-L794 HydrophobicContact CD2-CB 4.03Å; F764-L794 HydrophobicContact CD2-CD1 4.2Å; F764-L794 HydrophobicContact CE2-CB 3.95Å; F764-L794 HydrophobicContact CG-CD1 3.94Å; F764-L794 HydrophobicContact CZ-CB 4.44Å; L775-L794 HydrophobicContact CD2-CD1 3.46Å; L775-L794 VanDerWaalsContact CD2-CD1 3.46Å; L775-L794 HydrophobicContact CD2-CD2 4.27Å; L775-L794 HydrophobicContact CG-CD1 4.07Å; L775-L794 HydrophobicContact CG-CD2 3.94Å; V776-L794 HydrophobicContact CG2-CD2 4.46Å; T779-L794 HydrophobicContact CG2-CB 4.42Å; T779-L794 HydrophobicContact CG2-CD2 4.06Å; T779-L794 VanDerWaalsContact OG1-CD2 3.29Å; T779-L794 WeakPolarHBondContact OG1-CD2 3.47Å; V790-L794 PolarHBondContact O-N 3.05Å; L794-G796 VanDerWaalsContact C-N 3.27Å; L794-G796 PolarHBondContact O-N 3.35Å; L794-V797 PolarHBondContact O-N 3.18Å; L794-V797 VanDerWaalsContact O-N 3.16Å; L794-L798 HydrophobicContact CD1-CD1 4.32Å; L794-L798 HydrophobicContact CD1-CD2 4.36Å; L794-L798 HydrophobicContact CD1-CG 4.02Å; L794-L798 HydrophobicContact CG-CD1 4.11Å; L794-L798 HydrophobicContact CG-CG 4.26Å; L794-L798 WeakPolarHBondContact O-CG 3.37Å; L794-L798 PolarHBondContact O-N 2.99Å; L794-L810 HydrophobicContact CB-CD1 4.13Å; L794-L810 HydrophobicContact CD2-CD1 3.7Å; L794-L810 HydrophobicContact CD2-CD2 3.89Å; L794-L810 HydrophobicContact CD2-CG 4.46Å; L794-L810 HydrophobicContact CG-CD1 3.64Å
795	A	91.7	Very high	85.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-42	177.5	0	0	0	0	0	112.1	S791 L792 L798 I799 V807 L810 V817	S791-A795 VanDerWaalsContact O-CB 3.23Å; S791-A795 WeakPolarHBondContact O-CB 3.37Å; S791-A795 PolarHBondContact O-N 3.38Å; L792-A795 PolarHBondContact O-N 3.01Å; A795-L798 PolarHBondContact O-N 3.14Å; A795-I799 WeakPolarHBondContact O-CD1 3.49Å; A795-I799 WeakPolarHBondContact O-CG1 3.49Å; A795-I799 PolarHBondContact O-N 3.41Å; A795-V807 HydrophobicContact CB-CG1 4.02Å; A795-L810 HydrophobicContact CB-CB 4.42Å; A795-L810 HydrophobicContact CB-CD1 4.13Å; A795-V817 HydrophobicContact CB-CG2 3.6Å
796	G	91.6	Very high	85.7	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-41.9	176.2	0	0	0	0	0	113.5	L792 Q793 L794 I799 N800	L792-G796 PolarHBondContact O-N 3.48Å; Q793-G796 PolarHBondContact O-N 2.75Å; L794-G796 VanDerWaalsContact C-N 3.27Å; L794-G796 PolarHBondContact O-N 3.35Å; G796-I799 PolarHBondContact O-N 3.01Å; G796-N800 VanDerWaalsContact O-CG 3.28Å; G796-N800 PolarHBondContact O-N 3.28Å; G796-N800 PolarHBondContact O-OD1 3.37Å
797	V	90.2	Very high	86.7	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-37.8	175.4	174.3	0	0	0	0	111.8	F764 R765 Q793 L794 I799 N800 R801	F764-V797 HydrophobicContact CB-CB 4.07Å; F764-V797 HydrophobicContact CB-CG1 3.84Å; F764-V797 HydrophobicContact CB-CG2 4.09Å; R765-V797 HydrophobicContact CB-CG1 4.38Å; R765-V797 HydrophobicContact CG-CG1 3.69Å; R765-V797 HydrophobicContact CG-CG2 4.31Å; Q793-V797 WeakPolarHBondContact O-CG2 3.46Å; Q793-V797 PolarHBondContact O-N 3Å; L794-V797 PolarHBondContact O-N 3.18Å; L794-V797 VanDerWaalsContact O-N 3.16Å; V797-I799 VanDerWaalsContact C-N 3.34Å; V797-I799 PolarHBondContact O-N 3.44Å; V797-N800 WeakPolarHBondContact O-CB 3.01Å; V797-N800 PolarHBondContact O-N 3.32Å; V797-R801 WeakPolarHBondContact O-CG 3.43Å; V797-R801 PolarHBondContact O-N 2.76Å
798	L	92.2	Very high	87.5	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-40.7	174.6	-69.3	179.6	0	0	0	111.5	I772 L794 A795 R801 G802 L803 L806 V807 L810	I772-L798 HydrophobicContact CD1-CD2 3.83Å; I772-L798 HydrophobicContact CG1-CD2 4.34Å; I772-L798 HydrophobicContact CG2-CD1 4.36Å; I772-L798 HydrophobicContact CG2-CD2 3.87Å; L794-L798 HydrophobicContact CD1-CD1 4.32Å; L794-L798 HydrophobicContact CD1-CD2 4.36Å; L794-L798 HydrophobicContact CD1-CG 4.02Å; L794-L798 HydrophobicContact CG-CD1 4.11Å; L794-L798 HydrophobicContact CG-CG 4.26Å; L794-L798 WeakPolarHBondContact O-CG 3.37Å; L794-L798 PolarHBondContact O-N 2.99Å; A795-L798 PolarHBondContact O-N 3.14Å; L798-R801 CarbonylContact O-C 3.52Å; L798-R801 PolarHBondContact O-N 3.2Å; L798-G802 PolarHBondContact O-N 3.36Å; L798-L803 HydrophobicContact CB-CB 4.38Å; L798-L803 HydrophobicContact CD2-CB 4.48Å; L798-L803 HydrophobicContact CD2-CD1 4.21Å; L798-L803 WeakPolarHBondContact O-CA 3.28Å; L798-L803 WeakPolarHBondContact O-CB 3.42Å; L798-L803 PolarHBondContact O-N 3.25Å; L798-L806 HydrophobicContact CD1-CB 4.18Å; L798-V807 HydrophobicContact CB-CG2 4.43Å; L798-L810 HydrophobicContact CD1-CD1 3.65Å
799	I	93.1	Very high	88	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-45.8	173.5	-69	161.9	0	0	0	110.9	A795 G796 V797 R801 G802 V807 V817 L822 A837 Y841	A795-I799 WeakPolarHBondContact O-CD1 3.49Å; A795-I799 WeakPolarHBondContact O-CG1 3.49Å; A795-I799 PolarHBondContact O-N 3.41Å; G796-I799 PolarHBondContact O-N 3.01Å; V797-I799 VanDerWaalsContact C-N 3.34Å; V797-I799 PolarHBondContact O-N 3.44Å; I799-R801 PolarHBondContact O-N 3.4Å; I799-G802 PolarHBondContact O-N 2.93Å; I799-V807 HydrophobicContact CD1-CG1 4.38Å; I799-V807 HydrophobicContact CD1-CG2 3.92Å; I799-V807 HydrophobicContact CG1-CG2 3.53Å; I799-V817 HydrophobicContact CD1-CB 3.88Å; I799-V817 HydrophobicContact CD1-CG1 4.29Å; I799-V817 HydrophobicContact CD1-CG2 3.69Å; I799-L822 HydrophobicContact CB-CD2 3.91Å; I799-L822 HydrophobicContact CD1-CD2 3.66Å; I799-L822 HydrophobicContact CG1-CD2 4.39Å; I799-L822 HydrophobicContact CG2-CD1 4.36Å; I799-L822 HydrophobicContact CG2-CD2 3.92Å; I799-A837 WeakPolarHBondContact O-CB 3.3Å; I799-Y841 HydrophobicContact CD1-CD1 3.72Å; I799-Y841 HydrophobicContact CD1-CD2 3.81Å; I799-Y841 HydrophobicContact CD1-CE1 3.6Å; I799-Y841 HydrophobicContact CD1-CE2 3.68Å; I799-Y841 HydrophobicContact CD1-CG 3.82Å; I799-Y841 HydrophobicContact CG1-CD1 4.45Å; I799-Y841 HydrophobicContact CG1-CD2 4.01Å; I799-Y841 HydrophobicContact CG1-CE2 4.27Å; I799-Y841 HydrophobicContact CG1-CG 4.1Å; I799-Y841 HydrophobicContact CG2-CD1 4.13Å; I799-Y841 HydrophobicContact CG2-CD2 4.46Å; I799-Y841 HydrophobicContact CG2-CG 3.8Å
800	N	91.5	Very high	88.2	Confident	2 Å²	2	32 Å²	32	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-55.7	-36.3	174.6	-66.5	155.5	0	0	0	111.2	R765 G796 V797 G802 L822 L830 E834 S838	R765-N800 PolarHBondContact NH1-OD1 2.74Å; R765-N800 PolarHBondContact NH2-OD1 3.16Å; R765-N800 VanDerWaalsContact NH2-OD1 3.17Å; G796-N800 VanDerWaalsContact O-CG 3.28Å; G796-N800 PolarHBondContact O-N 3.28Å; G796-N800 PolarHBondContact O-OD1 3.37Å; V797-N800 WeakPolarHBondContact O-CB 3.01Å; V797-N800 PolarHBondContact O-N 3.32Å; N800-G802 VanDerWaalsContact C-N 3.25Å; N800-G802 PolarHBondContact O-N 3.38Å; N800-L822 PolarHBondContact ND2-O 3.24Å; N800-L830 HydrophobicContact CB-CD2 4.46Å; N800-E834 HydrophobicContact CB-CB 4.1Å; N800-E834 HydrophobicContact CB-CG 4.21Å; N800-E834 VanDerWaalsContact O-CA 3.23Å; N800-E834 WeakPolarHBondContact O-CA 3.35Å; N800-E834 WeakPolarHBondContact O-CB 3.48Å; N800-E834 WeakPolarHBondContact O-CG 3.36Å; N800-S838 PolarHBondContact ND2-OG 3.29Å
801	R	89.8	Confident	88	Confident	67 Å²	67	32.8 Å²	32.8	25%	0.253	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3	177.9	-68.7	175.5	70	154.6	2.7	114.6	F764 R765 W767 T769 V797 L798 I799 L803	F764-R801 PolarHBondContact O-NH1 2.93Å; R765-R801 PolarHBondContact O-NH1 3.49Å; W767-R801 VanDerWaalsContact O-CZ 3.3Å; W767-R801 PolarHBondContact O-NH1 3.14Å; W767-R801 PolarHBondContact O-NH2 3.42Å; T769-R801 PolarHBondContact OG1-NH2 3.11Å; V797-R801 WeakPolarHBondContact O-CG 3.43Å; V797-R801 PolarHBondContact O-N 2.76Å; L798-R801 CarbonylContact O-C 3.52Å; L798-R801 PolarHBondContact O-N 3.2Å; I799-R801 PolarHBondContact O-N 3.4Å; R801-L803 VanDerWaalsContact C-N 3.31Å; R801-L803 HydrophobicContact CB-CD1 4.2Å; R801-L803 HydrophobicContact CB-CG 4.3Å
802	G	89.7	Confident	87.2	Confident	46 Å²	46	37.7 Å²	37.7	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	18.7	-176.7	0	0	0	0	0	114.3	L798 I799 N800	L798-G802 PolarHBondContact O-N 3.36Å; I799-G802 PolarHBondContact O-N 2.93Å; N800-G802 VanDerWaalsContact C-N 3.25Å; N800-G802 PolarHBondContact O-N 3.38Å
803	L	89.9	Confident	86.2	Confident	43 Å²	43	43.7 Å²	43.7	23%	0.225	25%	0.246	C	C	.	.			trans	-106.6	46.6	-177.6	-58.4	173.1	0	0	0	111.1	T769 I772 L798 R801 D805 L806	T769-L803 HydrophobicContact CG2-CD1 4.09Å; I772-L803 HydrophobicContact CD1-CD1 3.23Å; L798-L803 HydrophobicContact CB-CB 4.38Å; L798-L803 HydrophobicContact CD2-CB 4.48Å; L798-L803 HydrophobicContact CD2-CD1 4.21Å; L798-L803 WeakPolarHBondContact O-CA 3.28Å; L798-L803 WeakPolarHBondContact O-CB 3.42Å; L798-L803 PolarHBondContact O-N 3.25Å; R801-L803 VanDerWaalsContact C-N 3.31Å; R801-L803 HydrophobicContact CB-CD1 4.2Å; R801-L803 HydrophobicContact CB-CG 4.3Å; L803-D805 PolarHBondContact O-N 3.49Å; L803-L806 HydrophobicContact CB-CD1 4.39Å; L803-L806 PolarHBondContact O-N 2.89Å
804	S	87.3	Confident	85.4	Confident	50 Å²	50	43.8 Å²	43.8	35%	0.35	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59.7	-27.7	-177.4	47.3	0	0	0	0	113.6	L806 V807	S804-L806 PolarHBondContact O-N 3.34Å; S804-V807 VanDerWaalsContact O-CB 3.22Å; S804-V807 WeakPolarHBondContact O-CB 3.42Å; S804-V807 VanDerWaalsContact O-CG2 3.3Å; S804-V807 WeakPolarHBondContact O-CG2 3.48Å; S804-V807 PolarHBondContact O-N 3.39Å; S804-V807 VanDerWaalsContact O-N 3.15Å
805	D	85.6	Confident	84.8	Confident	137 Å²	137	53.3 Å²	53.3	73%	0.733	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-65.3	-30.5	-175.8	-55.5	-22.6	0	0	0	112.3	L803 V807 S808	L803-D805 PolarHBondContact O-N 3.49Å; D805-V807 VanDerWaalsContact C-N 3.32Å; D805-V807 PolarHBondContact O-N 2.9Å; D805-S808 PolarHBondContact O-OG 3.32Å
806	L	85.2	Confident	84.5	Confident	68 Å²	68	56.3 Å²	56.3	36%	0.356	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-78.2	-16.2	179.9	-60.9	179.2	0	0	0	113	I772 L798 L803 S804 S808 T809	I772-L806 HydrophobicContact CB-CD1 4.4Å; I772-L806 HydrophobicContact CD1-CD1 4.47Å; I772-L806 HydrophobicContact CG2-CD1 3.69Å; L798-L806 HydrophobicContact CD1-CB 4.18Å; L803-L806 HydrophobicContact CB-CD1 4.39Å; L803-L806 PolarHBondContact O-N 2.89Å; S804-L806 PolarHBondContact O-N 3.34Å; L806-S808 VanDerWaalsContact C-N 3.29Å; L806-S808 PolarHBondContact O-N 3.46Å; L806-T809 PolarHBondContact O-N 2.93Å; L806-T809 PolarHBondContact O-OG1 3.32Å
807	V	86.8	Confident	84.4	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.024	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-63	-35.4	-175.7	173.1	0	0	0	0	112.2	A795 L798 I799 S804 D805 T809 L810 L811 V817	A795-V807 HydrophobicContact CB-CG1 4.02Å; L798-V807 HydrophobicContact CB-CG2 4.43Å; I799-V807 HydrophobicContact CD1-CG1 4.38Å; I799-V807 HydrophobicContact CD1-CG2 3.92Å; I799-V807 HydrophobicContact CG1-CG2 3.53Å; S804-V807 VanDerWaalsContact O-CB 3.22Å; S804-V807 WeakPolarHBondContact O-CB 3.42Å; S804-V807 VanDerWaalsContact O-CG2 3.3Å; S804-V807 WeakPolarHBondContact O-CG2 3.48Å; S804-V807 PolarHBondContact O-N 3.39Å; S804-V807 VanDerWaalsContact O-N 3.15Å; D805-V807 VanDerWaalsContact C-N 3.32Å; D805-V807 PolarHBondContact O-N 2.9Å; V807-T809 PolarHBondContact O-N 2.98Å; V807-L810 PolarHBondContact O-N 2.8Å; V807-L811 HydrophobicContact CG1-CD1 3.74Å; V807-L811 HydrophobicContact CG1-CD2 4.4Å; V807-L811 HydrophobicContact CG1-CG 3.82Å; V807-L811 PolarHBondContact O-N 3.35Å; V807-V817 HydrophobicContact CG1-CG2 3.62Å
808	S	83.5	Confident	84.3	Confident	89 Å²	89	58.8 Å²	58.8	62%	0.622	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-52.6	-32.3	178.4	60.7	0	0	0	0	112.4	D805 L806 L810	D805-S808 PolarHBondContact O-OG 3.32Å; L806-S808 VanDerWaalsContact C-N 3.29Å; L806-S808 PolarHBondContact O-N 3.46Å; S808-L810 VanDerWaalsContact C-N 3.32Å; S808-L810 PolarHBondContact O-N 3.32Å
809	T	81.7	Confident	84.2	Confident	59 Å²	59	60.3 Å²	60.3	36%	0.362	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-75.4	-16.8	-179.2	72.2	0	0	0	0	114.4	K780 L806 V807	K780-T809 WeakPolarHBondContact CE-O 3.49Å; K780-T809 PolarHBondContact NZ-O 3.25Å; L806-T809 PolarHBondContact O-N 2.93Å; L806-T809 PolarHBondContact O-OG1 3.32Å; V807-T809 PolarHBondContact O-N 2.98Å
810	L	83.2	Confident	84.1	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.021	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-20.1	-176	-69.6	170.7	0	0	0	113.6	V776 T779 L794 A795 L798 V807 S808 E812	V776-L810 HydrophobicContact CB-CD2 4.4Å; V776-L810 HydrophobicContact CG1-CD2 3.94Å; V776-L810 HydrophobicContact CG2-CD2 4.18Å; V776-L810 HydrophobicContact CG2-CG 4.45Å; T779-L810 HydrophobicContact CG2-CD2 4.25Å; L794-L810 HydrophobicContact CB-CD1 4.13Å; L794-L810 HydrophobicContact CD2-CD1 3.7Å; L794-L810 HydrophobicContact CD2-CD2 3.89Å; L794-L810 HydrophobicContact CD2-CG 4.46Å; L794-L810 HydrophobicContact CG-CD1 3.64Å; A795-L810 HydrophobicContact CB-CB 4.42Å; A795-L810 HydrophobicContact CB-CD1 4.13Å; L798-L810 HydrophobicContact CD1-CD1 3.65Å; V807-L810 PolarHBondContact O-N 2.8Å; S808-L810 VanDerWaalsContact C-N 3.32Å; S808-L810 PolarHBondContact O-N 3.32Å; L810-E812 VanDerWaalsContact C-N 3.33Å; L810-E812 PolarHBondContact O-N 2.94Å
811	L	79.8	Confident	84	Confident	19 Å²	19	66.4 Å²	66.4	10%	0.099	36%	0.364	C	S	.	.			trans	-72.1	-22.6	-168.8	-82.4	177	0	0	0	114	L792 V807 N813 N814 V817	L792-L811 HydrophobicContact CD2-CD2 4.06Å; V807-L811 HydrophobicContact CG1-CD1 3.74Å; V807-L811 HydrophobicContact CG1-CD2 4.4Å; V807-L811 HydrophobicContact CG1-CG 3.82Å; V807-L811 PolarHBondContact O-N 3.35Å; L811-N813 PolarHBondContact O-N 3.3Å; L811-N814 WeakPolarHBondContact CB-O 3.49Å; L811-N814 HydrophobicContact CD2-CB 3.84Å; L811-N814 WeakPolarHBondContact O-CB 3.36Å; L811-N814 PolarHBondContact O-N 2.95Å; L811-V817 HydrophobicContact CD2-CG2 3.77Å
812	E	71.6	Confident	84.1	Confident	110 Å²	110	63.2 Å²	63.2	51%	0.514	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.6	-88	179.8	-67.9	-178.8	-164.6	0	0	113.8	S783 L810	S783-E812 PolarHBondContact OG-OE1 3.47Å; S783-E812 VanDerWaalsContact OG-OE1 3.06Å; L810-E812 VanDerWaalsContact C-N 3.33Å; L810-E812 PolarHBondContact O-N 2.94Å
813	N	66.7	Low	84.2	Confident	144 Å²	144	61.4 Å²	61.4	77%	0.77	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-17	-179.8	-64.7	-40.5	0	0	0	114.6	L811	L811-N813 PolarHBondContact O-N 3.3Å
814	N	70.3	Confident	83.9	Confident	72 Å²	72	60.1 Å²	60.1	39%	0.385	33%	0.328	S	S	.	.			trans	-81.4	138.9	178.2	-66.7	-50.1	0	0	0	109.7	L792 L811	L792-N814 HydrophobicContact CD2-CB 4.39Å; L811-N814 WeakPolarHBondContact CB-O 3.49Å; L811-N814 HydrophobicContact CD2-CB 3.84Å; L811-N814 WeakPolarHBondContact O-CB 3.36Å; L811-N814 PolarHBondContact O-N 2.95Å
815	K	78.7	Confident	83.8	Confident	201 Å²	201	59.8 Å²	59.8	87%	0.874	32%	0.322	S	S	*	.	S	Bend	trans	-78.6	-30.6	173.8	-69.6	-174.5	177.6	-177.2	0	112.3
816	T	86.8	Confident	83.6	Confident	62 Å²	62	54.1 Å²	54.1	38%	0.38	29%	0.293	S	S	.	.	S	Bend	trans	-147.3	159.7	-170.4	65.9	0	0	0	0	109.9	P818 V845	T816-P818 WeakPolarHBondContact O-CD 3.24Å; T816-V845 HydrophobicContact CG2-CG1 3.14Å
817	V	88.1	Confident	83.1	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.024	30%	0.295	C	S	.	.			trans	-86	119.3	170.1	-177.3	0	0	0	0	107.9	A795 I799 V807 L811 F819 F821 L822 Y841	A795-V817 HydrophobicContact CB-CG2 3.6Å; I799-V817 HydrophobicContact CD1-CB 3.88Å; I799-V817 HydrophobicContact CD1-CG1 4.29Å; I799-V817 HydrophobicContact CD1-CG2 3.69Å; V807-V817 HydrophobicContact CG1-CG2 3.62Å; L811-V817 HydrophobicContact CD2-CG2 3.77Å; V817-F819 PolarHBondContact O-N 3.44Å; V817-F821 HydrophobicContact CG1-CB 3.87Å; V817-L822 HydrophobicContact CB-CD2 4.47Å; V817-L822 HydrophobicContact CG1-CD2 3.82Å; V817-Y841 HydrophobicContact CB-CE1 4.17Å; V817-Y841 PolarHBondContact N-OH 3.42Å
818	P	88.6	Confident	82.7	Confident	51 Å²	51	57.7 Å²	57.7	33%	0.331	31%	0.305	S	S	.	.			trans	-58	137.9	175.7	-22.1	32.1	0	0	0	110.8	T816 T820 F821	T816-P818 WeakPolarHBondContact O-CD 3.24Å; P818-T820 PolarHBondContact O-N 3.2Å; P818-F821 HydrophobicContact CB-CD2 4.01Å; P818-F821 HydrophobicContact CB-CE2 4.37Å; P818-F821 HydrophobicContact CG-CD2 4.06Å; P818-F821 HydrophobicContact CG-CE2 4.12Å; P818-F821 PolarHBondContact O-N 2.95Å
819	F	90.9	Very high	82.9	Confident	34 Å²	34	53.8 Å²	53.8	15%	0.149	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-56.6	-25.7	-175.2	80.5	-94.2	0	0	0	113	V817 F821 L822 V823 L842 H849 G852 F853 Y856	V817-F819 PolarHBondContact O-N 3.44Å; F819-F821 PolarHBondContact O-N 3.1Å; F819-L822 WeakPolarHBondContact O-CA 3.32Å; F819-L822 VanDerWaalsContact O-CB 3.3Å; F819-L822 WeakPolarHBondContact O-CB 3.46Å; F819-L822 PolarHBondContact O-N 2.88Å; F819-V823 HydrophobicContact CD2-CG1 4.01Å; F819-V823 HydrophobicContact CE2-CG1 4.43Å; F819-V823 WeakPolarHBondContact O-CG1 3.36Å; F819-V823 PolarHBondContact O-N 3.1Å; F819-L842 HydrophobicContact CB-CD1 4.04Å; F819-L842 HydrophobicContact CB-CD2 3.72Å; F819-H849 HydrophobicContact CB-CB 4.21Å; F819-H849 HydrophobicContact CD1-CB 3.75Å; F819-H849 AromaticContact CD1-CG 3.77Å; F819-H849 AromaticContact CD1-ND1 3.72Å; F819-H849 HydrophobicContact CE1-CB 4.5Å; F819-H849 AromaticContact CE1-ND1 3.83Å; F819-H849 HydrophobicContact CG-CB 4.19Å; F819-G852 WeakPolarHBondContact CE2-O 3.45Å; F819-F853 HydrophobicContact CB-CB 4.25Å; F819-F853 HydrophobicContact CD2-CB 3.82Å; F819-F853 HydrophobicContact CG-CB 4.3Å; F819-Y856 HydrophobicContact CE2-CD2 4.15Å; F819-Y856 HydrophobicContact CE2-CG 4.43Å
820	T	90.5	Very high	83.3	Confident	68 Å²	68	51.1 Å²	51.1	42%	0.417	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-63.5	-17.6	176.8	52.9	0	0	0	0	114.2	P818 V823	P818-T820 PolarHBondContact O-N 3.2Å; T820-V823 WeakPolarHBondContact O-CG2 3.49Å
821	F	89.3	Confident	83.6	Confident	63 Å²	63	53 Å²	53	28%	0.276	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-87.3	-9.5	169.8	-69.7	-87.8	0	0	0	112.8	L792 Q793 V817 P818 F819	L792-F821 HydrophobicContact CB-CD1 3.98Å; L792-F821 HydrophobicContact CB-CD2 4.24Å; L792-F821 HydrophobicContact CB-CE1 3.81Å; L792-F821 HydrophobicContact CB-CE2 4.09Å; L792-F821 HydrophobicContact CB-CG 4.19Å; L792-F821 HydrophobicContact CB-CZ 3.87Å; L792-F821 HydrophobicContact CD1-CE2 3.85Å; L792-F821 HydrophobicContact CD1-CZ 3.93Å; Q793-F821 HydrophobicContact CG-CD1 3.88Å; Q793-F821 HydrophobicContact CG-CE1 3.91Å; V817-F821 HydrophobicContact CG1-CB 3.87Å; P818-F821 HydrophobicContact CB-CD2 4.01Å; P818-F821 HydrophobicContact CB-CE2 4.37Å; P818-F821 HydrophobicContact CG-CD2 4.06Å; P818-F821 HydrophobicContact CG-CE2 4.12Å; P818-F821 PolarHBondContact O-N 2.95Å; F819-F821 PolarHBondContact O-N 3.1Å
822	L	92.2	Very high	84.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-20.1	-178.5	-49.2	-176.7	0	0	0	112.8	I799 N800 V817 F819 G824 L830 Y841 L842 F853	I799-L822 HydrophobicContact CB-CD2 3.91Å; I799-L822 HydrophobicContact CD1-CD2 3.66Å; I799-L822 HydrophobicContact CG1-CD2 4.39Å; I799-L822 HydrophobicContact CG2-CD1 4.36Å; I799-L822 HydrophobicContact CG2-CD2 3.92Å; N800-L822 PolarHBondContact ND2-O 3.24Å; V817-L822 HydrophobicContact CB-CD2 4.47Å; V817-L822 HydrophobicContact CG1-CD2 3.82Å; F819-L822 WeakPolarHBondContact O-CA 3.32Å; F819-L822 VanDerWaalsContact O-CB 3.3Å; F819-L822 WeakPolarHBondContact O-CB 3.46Å; F819-L822 PolarHBondContact O-N 2.88Å; L822-G824 PolarHBondContact O-N 3.33Å; L822-G824 VanDerWaalsContact O-N 3.08Å; L822-L830 VanDerWaalsContact O-CD1 3.25Å; L822-L830 WeakPolarHBondContact O-CD1 3.34Å; L822-Y841 HydrophobicContact CD1-CD1 3.78Å; L822-Y841 HydrophobicContact CD1-CE1 4.23Å; L822-L842 HydrophobicContact CD1-CD1 4.19Å; L822-L842 HydrophobicContact CD1-CD2 3.83Å; L822-L842 HydrophobicContact CD1-CG 3.81Å; L822-F853 HydrophobicContact CB-CD2 4.02Å; L822-F853 HydrophobicContact CB-CE2 3.7Å
823	V	90.8	Very high	85.1	Confident	8 Å²	8	56 Å²	56	5%	0.048	29%	0.294	C	S	.	.	S	Bend	trans	-74.3	3.3	-165.3	-63.8	0	0	0	0	115.8	F819 T820 F853 Y856 N860	F819-V823 HydrophobicContact CD2-CG1 4.01Å; F819-V823 HydrophobicContact CE2-CG1 4.43Å; F819-V823 WeakPolarHBondContact O-CG1 3.36Å; F819-V823 PolarHBondContact O-N 3.1Å; T820-V823 WeakPolarHBondContact O-CG2 3.49Å; V823-F853 HydrophobicContact CG1-CD2 3.61Å; V823-F853 HydrophobicContact CG1-CE2 4.14Å; V823-F853 HydrophobicContact CG1-CG 4.45Å; V823-Y856 VanDerWaalsContact CG1-CB 3.45Å; V823-Y856 HydrophobicContact CG1-CG 4.34Å; V823-Y856 HydrophobicContact CG2-CD1 4.37Å; V823-N860 PolarHBondContact O-ND2 3.08Å
824	G	84.6	Confident	86.3	Confident	15 Å²	15	50.7 Å²	50.7	16%	0.155	27%	0.265	C	S	.	.			trans	62.8	-159.2	-170.8	0	0	0	0	0	112.8	L822 N860	L822-G824 PolarHBondContact O-N 3.33Å; L822-G824 VanDerWaalsContact O-N 3.08Å; G824-N860 PolarHBondContact O-ND2 3.49Å
825	N	84.9	Confident	87.5	Confident	43 Å²	43	47.2 Å²	47.2	23%	0.23	25%	0.246	C	C	.	.			trans	-146.3	167.9	174.7	62.6	68.6	0	0	0	110.1	D761 R827 N828 S829	D761-N825 PolarHBondContact OD2-ND2 2.92Å; N825-R827 PolarHBondContact O-N 2.64Å; N825-R827 WeakPolarHBondContact OD1-CA 3.19Å; N825-R827 WeakPolarHBondContact OD1-CB 3.42Å; N825-R827 PolarHBondContact OD1-N 3.36Å; N825-N828 PolarHBondContact N-O 3.44Å; N825-N828 CarbonylContact O-C 3.6Å; N825-N828 PolarHBondContact O-N 3.23Å; N825-N828 VanDerWaalsContact O-N 3.1Å; N825-N828 PolarHBondContact OD1-N 2.98Å; N825-S829 WeakPolarHBondContact O-CA 3.41Å; N825-S829 PolarHBondContact O-N 2.99Å
826	P	81.4	Confident	88.2	Confident	19 Å²	19	40.9 Å²	40.9	12%	0.123	22%	0.222	C	C	.	.	S	Bend	trans	-57.8	-21.1	-177.8	-29	36.8	0	0	0	116	L863 S864	P826-L863 HydrophobicContact CB-CB 3.84Å; P826-L863 HydrophobicContact CG-CB 3.88Å; P826-L863 HydrophobicContact CG-CD1 4.16Å; P826-S864 WeakPolarHBondContact O-CA 3.4Å; P826-S864 WeakPolarHBondContact O-CB 3.41Å
827	R	74.7	Confident	88.5	Confident	103 Å²	103	38.9 Å²	38.9	39%	0.389	21%	0.211	S	C	.	.	S	Bend	trans	-85.8	-39.6	174.4	-64.8	-174.2	179.7	140.9	15.5	112.5	Y684 N825	Y684-R827 VanDerWaalsContact CZ-NH1 3.29Å; Y684-R827 VanDerWaalsContact CZ-NH2 3.32Å; Y684-R827 PolarHBondContact OH-NH1 2.99Å; Y684-R827 PolarHBondContact OH-NH2 3.16Å; N825-R827 PolarHBondContact O-N 2.64Å; N825-R827 WeakPolarHBondContact OD1-CA 3.19Å; N825-R827 WeakPolarHBondContact OD1-CB 3.42Å; N825-R827 PolarHBondContact OD1-N 3.36Å
828	N	79.2	Confident	88.8	Confident	44 Å²	44	38.7 Å²	38.7	24%	0.235	21%	0.21	C	C	.	.	S	Bend	trans	-115.1	67.3	177.8	-61.7	-29	0	0	0	108.7	D761 T762 N825	D761-N828 PolarHBondContact OD2-ND2 2.92Å; T762-N828 PolarHBondContact OG1-ND2 3.14Å; N825-N828 PolarHBondContact N-O 3.44Å; N825-N828 CarbonylContact O-C 3.6Å; N825-N828 PolarHBondContact O-N 3.23Å; N825-N828 VanDerWaalsContact O-N 3.1Å; N825-N828 PolarHBondContact OD1-N 2.98Å
829	S	86.8	Confident	89	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.042	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-63.4	137.3	172.3	63.7	0	0	0	0	108.5	N825 T831 N869	N825-S829 WeakPolarHBondContact O-CA 3.41Å; N825-S829 PolarHBondContact O-N 2.99Å; S829-T831 PolarHBondContact O-N 2.85Å; S829-N869 PolarHBondContact O-ND2 3.26Å; S829-N869 WeakPolarHBondContact OG-CB 3.28Å; S829-N869 PolarHBondContact OG-ND2 3.24Å; S829-N869 VanDerWaalsContact OG-ND2 3.14Å
830	L	89.8	Confident	89.1	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.021	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-60.5	134.1	-178.2	-57.2	-177.3	0	0	0	111.5	N800 L822 E834 F835 F853 L873	N800-L830 HydrophobicContact CB-CD2 4.46Å; L822-L830 VanDerWaalsContact O-CD1 3.25Å; L822-L830 WeakPolarHBondContact O-CD1 3.34Å; L830-E834 HydrophobicContact CB-CB 4.19Å; L830-E834 HydrophobicContact CD2-CB 4.15Å; L830-F835 HydrophobicContact CB-CB 4.32Å; L830-F835 HydrophobicContact CD1-CB 4.49Å; L830-F853 HydrophobicContact CD1-CE2 3.95Å; L830-F853 HydrophobicContact CD1-CZ 3.65Å; L830-L873 HydrophobicContact CB-CD1 4.44Å; L830-L873 WeakPolarHBondContact O-CD1 3.47Å
831	T	90.1	Very high	89.3	Confident	44 Å²	44	39.5 Å²	39.5	27%	0.27	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-68.8	165.5	164.4	59.4	0	0	0	0	110.5	S829 S833 E834 F835	S829-T831 PolarHBondContact O-N 2.85Å; T831-S833 VanDerWaalsContact C-N 3.28Å; T831-S833 PolarHBondContact O-N 3.26Å; T831-S833 PolarHBondContact OG1-OG 2.96Å; T831-E834 WeakPolarHBondContact CB-OE2 3.3Å; T831-E834 PolarHBondContact N-OE2 2.94Å; T831-E834 PolarHBondContact O-N 3.1Å; T831-E834 VanDerWaalsContact OG1-CG 3.24Å; T831-E834 WeakPolarHBondContact OG1-CG 3.33Å; T831-E834 PolarHBondContact OG1-N 3.19Å; T831-E834 PolarHBondContact OG1-OE2 2.82Å; T831-F835 WeakPolarHBondContact O-CB 3.13Å; T831-F835 PolarHBondContact O-N 2.73Å
832	K	90.7	Very high	89.5	Confident	105 Å²	105	36.7 Å²	36.7	46%	0.457	19%	0.192	S	C	.	.	H	α-helix	trans	-54.7	-43.1	176.3	-178.5	177.4	-179.4	-179.1	0	112.4	L836 T876	K832-L836 HydrophobicContact CG-CD1 4.07Å; K832-L836 HydrophobicContact CG-CG 4.49Å; K832-L836 WeakPolarHBondContact O-CB 3.3Å; K832-L836 WeakPolarHBondContact O-CG 3.49Å; K832-L836 PolarHBondContact O-N 3.49Å; K832-T876 HydrophobicContact CG-CG2 4.41Å
833	S	91.9	Very high	89.4	Confident	85 Å²	85	42.2 Å²	42.2	59%	0.594	22%	0.216	S	C	*	.	H	α-helix	trans	-64.3	-44.9	178.3	44.6	0	0	0	0	112.3	T831 L836 A837	T831-S833 VanDerWaalsContact C-N 3.28Å; T831-S833 PolarHBondContact O-N 3.26Å; T831-S833 PolarHBondContact OG1-OG 2.96Å; S833-L836 PolarHBondContact O-N 2.85Å; S833-A837 PolarHBondContact O-N 3.13Å
834	E	92.9	Very high	89.3	Confident	33 Å²	33	46.4 Å²	46.4	15%	0.154	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-38.7	179.4	-67.1	168	124.9	0	0	112	R765 N800 L830 T831 S838	R765-E834 IonicContact NH1-OE1 3.22Å; R765-E834 PolarHBondContact NH1-OE1 3.01Å; R765-E834 VanDerWaalsContact NH1-OE1 3.08Å; N800-E834 HydrophobicContact CB-CB 4.1Å; N800-E834 HydrophobicContact CB-CG 4.21Å; N800-E834 VanDerWaalsContact O-CA 3.23Å; N800-E834 WeakPolarHBondContact O-CA 3.35Å; N800-E834 WeakPolarHBondContact O-CB 3.48Å; N800-E834 WeakPolarHBondContact O-CG 3.36Å; L830-E834 HydrophobicContact CB-CB 4.19Å; L830-E834 HydrophobicContact CD2-CB 4.15Å; T831-E834 WeakPolarHBondContact CB-OE2 3.3Å; T831-E834 PolarHBondContact N-OE2 2.94Å; T831-E834 PolarHBondContact O-N 3.1Å; T831-E834 VanDerWaalsContact OG1-CG 3.24Å; T831-E834 WeakPolarHBondContact OG1-CG 3.33Å; T831-E834 PolarHBondContact OG1-N 3.19Å; T831-E834 PolarHBondContact OG1-OE2 2.82Å; E834-S838 WeakPolarHBondContact O-CB 3.47Å; E834-S838 PolarHBondContact O-N 3.38Å; E834-S838 PolarHBondContact O-OG 2.77Å
835	F	94	Very high	89.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-47.6	174.1	176.5	-91	0	0	0	110.9	L830 T831 S838 V839 F853 V854 C857 L873 T876 V877 F882	L830-F835 HydrophobicContact CB-CB 4.32Å; L830-F835 HydrophobicContact CD1-CB 4.49Å; T831-F835 WeakPolarHBondContact O-CB 3.13Å; T831-F835 PolarHBondContact O-N 2.73Å; F835-S838 PolarHBondContact O-N 2.99Å; F835-V839 HydrophobicContact CD1-CG2 4.19Å; F835-V839 HydrophobicContact CE1-CG2 3.83Å; F835-V839 HydrophobicContact CE2-CG2 4.49Å; F835-V839 HydrophobicContact CZ-CG2 4Å; F835-V839 WeakPolarHBondContact O-CG2 3.43Å; F835-V839 PolarHBondContact O-N 3.21Å; F835-F853 AromaticContact CD2-CE1 3.5Å; F835-F853 HydrophobicContact CD2-CE1 3.5Å; F835-F853 AromaticContact CD2-CZ 3.89Å; F835-F853 HydrophobicContact CD2-CZ 3.89Å; F835-F853 HydrophobicContact CE2-CD1 4.11Å; F835-F853 AromaticContact CE2-CE1 3.46Å; F835-F853 HydrophobicContact CE2-CE1 3.46Å; F835-F853 VanDerWaalsContact CE2-CE1 3.46Å; F835-F853 HydrophobicContact CE2-CZ 4.28Å; F835-F853 HydrophobicContact CG-CE1 4.29Å; F835-F853 HydrophobicContact CZ-CE1 4.21Å; F835-V854 HydrophobicContact CE2-CG2 4.06Å; F835-V854 HydrophobicContact CZ-CG2 3.8Å; F835-C857 HydrophobicContact CD2-CB 4.2Å; F835-C857 HydrophobicContact CE2-CB 4.22Å; F835-L873 HydrophobicContact CB-CD1 4.04Å; F835-L873 HydrophobicContact CD2-CD1 3.76Å; F835-L873 HydrophobicContact CD2-CD2 4.37Å; F835-L873 HydrophobicContact CD2-CG 4.14Å; F835-L873 HydrophobicContact CE2-CD1 4.49Å; F835-L873 HydrophobicContact CE2-CD2 4.34Å; F835-L873 HydrophobicContact CE2-CG 4.4Å; F835-L873 HydrophobicContact CG-CD1 4.03Å; F835-T876 HydrophobicContact CD1-CG2 3.97Å; F835-T876 HydrophobicContact CE1-CG2 3.94Å; F835-V877 HydrophobicContact CE1-CG2 4.45Å; F835-V877 HydrophobicContact CE2-CG2 4.34Å; F835-V877 HydrophobicContact CZ-CG2 3.78Å; F835-F882 HydrophobicContact CE1-CE1 4.17Å; F835-F882 HydrophobicContact CE1-CE2 4.21Å; F835-F882 AromaticContact CE1-CZ 3.85Å; F835-F882 HydrophobicContact CE1-CZ 3.85Å
836	L	94	Very high	89.2	Confident	68 Å²	68	49.3 Å²	49.3	36%	0.356	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-44	179.4	-71	174.3	0	0	0	112.5	K832 S833 S838 V839 E840 T876 F882	K832-L836 HydrophobicContact CG-CD1 4.07Å; K832-L836 HydrophobicContact CG-CG 4.49Å; K832-L836 WeakPolarHBondContact O-CB 3.3Å; K832-L836 WeakPolarHBondContact O-CG 3.49Å; K832-L836 PolarHBondContact O-N 3.49Å; S833-L836 PolarHBondContact O-N 2.85Å; L836-S838 VanDerWaalsContact C-N 3.28Å; L836-S838 PolarHBondContact O-N 2.9Å; L836-V839 PolarHBondContact O-N 3.33Å; L836-E840 WeakPolarHBondContact O-CB 3.41Å; L836-E840 PolarHBondContact O-N 3.42Å; L836-T876 HydrophobicContact CD2-CG2 4.17Å; L836-F882 HydrophobicContact CD2-CE2 3.63Å; L836-F882 HydrophobicContact CD2-CZ 3.83Å
837	A	93.8	Very high	89.5	Confident	19 Å²	19	52 Å²	52	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-39.3	176.2	0	0	0	0	0	112.1	I799 S833 E840 Y841	I799-A837 WeakPolarHBondContact O-CB 3.3Å; S833-A837 PolarHBondContact O-N 3.13Å; A837-E840 PolarHBondContact O-N 2.99Å; A837-Y841 PolarHBondContact O-N 2.99Å
838	S	94.2	Very high	90.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-39.9	176.8	-52	0	0	0	0	112.6	N800 E834 F835 L836 E840 Y841 L842	N800-S838 PolarHBondContact ND2-OG 3.29Å; E834-S838 WeakPolarHBondContact O-CB 3.47Å; E834-S838 PolarHBondContact O-N 3.38Å; E834-S838 PolarHBondContact O-OG 2.77Å; F835-S838 PolarHBondContact O-N 2.99Å; L836-S838 VanDerWaalsContact C-N 3.28Å; L836-S838 PolarHBondContact O-N 2.9Å; S838-E840 VanDerWaalsContact C-N 3.33Å; S838-Y841 PolarHBondContact O-N 3.16Å; S838-L842 WeakPolarHBondContact O-CG 3.25Å; S838-L842 PolarHBondContact O-N 3.18Å
839	V	93.2	Very high	90.7	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-42	173.3	168.4	0	0	0	0	110.7	F835 L836 L842 K843 F853 F882	F835-V839 HydrophobicContact CD1-CG2 4.19Å; F835-V839 HydrophobicContact CE1-CG2 3.83Å; F835-V839 HydrophobicContact CE2-CG2 4.49Å; F835-V839 HydrophobicContact CZ-CG2 4Å; F835-V839 WeakPolarHBondContact O-CG2 3.43Å; F835-V839 PolarHBondContact O-N 3.21Å; L836-V839 PolarHBondContact O-N 3.33Å; V839-L842 PolarHBondContact O-N 3.15Å; V839-K843 HydrophobicContact CG1-CD 3.9Å; V839-K843 HydrophobicContact CG1-CG 4.19Å; V839-K843 WeakPolarHBondContact O-CB 3.32Å; V839-K843 WeakPolarHBondContact O-CG 3.28Å; V839-K843 PolarHBondContact O-N 3.22Å; V839-F853 HydrophobicContact CG2-CD1 4.08Å; V839-F853 HydrophobicContact CG2-CE1 3.7Å; V839-F882 HydrophobicContact CB-CE1 4.24Å; V839-F882 HydrophobicContact CB-CZ 4.17Å; V839-F882 HydrophobicContact CG1-CE1 3.56Å; V839-F882 HydrophobicContact CG1-CZ 3.74Å; V839-F882 HydrophobicContact CG2-CE1 3.83Å; V839-F882 HydrophobicContact CG2-CZ 3.96Å
840	E	92.9	Very high	90.9	Very high	144 Å²	144	56.9 Å²	56.9	67%	0.673	31%	0.305	S	S	*	.	H	α-helix	trans	-61.5	-44.5	178.9	-173.3	173.2	-173.2	0	0	111.3	L836 A837 S838 K843 S844	L836-E840 WeakPolarHBondContact O-CB 3.41Å; L836-E840 PolarHBondContact O-N 3.42Å; A837-E840 PolarHBondContact O-N 2.99Å; S838-E840 VanDerWaalsContact C-N 3.33Å; E840-K843 PolarHBondContact O-N 2.99Å; E840-S844 PolarHBondContact O-N 3.23Å
841	Y	93.5	Very high	91	Very high	22 Å²	22	59.7 Å²	59.7	9%	0.086	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-47	171.5	175.5	-94.9	0	0	0	112.6	I799 V817 L822 A837 S838 K843 S844 V845	I799-Y841 HydrophobicContact CD1-CD1 3.72Å; I799-Y841 HydrophobicContact CD1-CD2 3.81Å; I799-Y841 HydrophobicContact CD1-CE1 3.6Å; I799-Y841 HydrophobicContact CD1-CE2 3.68Å; I799-Y841 HydrophobicContact CD1-CG 3.82Å; I799-Y841 HydrophobicContact CG1-CD1 4.45Å; I799-Y841 HydrophobicContact CG1-CD2 4.01Å; I799-Y841 HydrophobicContact CG1-CE2 4.27Å; I799-Y841 HydrophobicContact CG1-CG 4.1Å; I799-Y841 HydrophobicContact CG2-CD1 4.13Å; I799-Y841 HydrophobicContact CG2-CD2 4.46Å; I799-Y841 HydrophobicContact CG2-CG 3.8Å; V817-Y841 HydrophobicContact CB-CE1 4.17Å; V817-Y841 PolarHBondContact N-OH 3.42Å; L822-Y841 HydrophobicContact CD1-CD1 3.78Å; L822-Y841 HydrophobicContact CD1-CE1 4.23Å; A837-Y841 PolarHBondContact O-N 2.99Å; S838-Y841 PolarHBondContact O-N 3.16Å; Y841-K843 VanDerWaalsContact C-N 3.3Å; Y841-K843 PolarHBondContact O-N 3.44Å; Y841-S844 PolarHBondContact O-N 2.86Å; Y841-S844 PolarHBondContact O-OG 3.14Å; Y841-V845 HydrophobicContact CD2-CG2 4.11Å; Y841-V845 HydrophobicContact CE1-CG2 4.2Å; Y841-V845 HydrophobicContact CE2-CG2 3.69Å; Y841-V845 WeakPolarHBondContact O-CG2 3.49Å; Y841-V845 PolarHBondContact O-N 2.85Å
842	L	92.9	Very high	91.1	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-38.4	178.5	-72.5	173.1	0	0	0	111.4	F819 L822 S838 V839 S844 V845 D846 S847 H849 V850 F853	F819-L842 HydrophobicContact CB-CD1 4.04Å; F819-L842 HydrophobicContact CB-CD2 3.72Å; L822-L842 HydrophobicContact CD1-CD1 4.19Å; L822-L842 HydrophobicContact CD1-CD2 3.83Å; L822-L842 HydrophobicContact CD1-CG 3.81Å; S838-L842 WeakPolarHBondContact O-CG 3.25Å; S838-L842 PolarHBondContact O-N 3.18Å; V839-L842 PolarHBondContact O-N 3.15Å; L842-S844 VanDerWaalsContact C-N 3.31Å; L842-S844 PolarHBondContact O-N 2.91Å; L842-V845 PolarHBondContact O-N 3.44Å; L842-D846 CarbonylContact O-C 3.56Å; L842-D846 WeakPolarHBondContact O-CA 3.39Å; L842-D846 PolarHBondContact O-N 3.1Å; L842-S847 PolarHBondContact O-N 3.31Å; L842-S847 VanDerWaalsContact O-N 3.14Å; L842-H849 HydrophobicContact CD2-CB 4.33Å; L842-V850 HydrophobicContact CB-CG2 3.92Å; L842-F853 HydrophobicContact CD1-CB 3.47Å; L842-F853 VanDerWaalsContact CD1-CB 3.47Å; L842-F853 HydrophobicContact CD1-CD1 3.93Å; L842-F853 HydrophobicContact CD1-CD2 3.84Å; L842-F853 HydrophobicContact CD1-CG 3.46Å; L842-F853 VanDerWaalsContact CD1-CG 3.46Å
843	K	91.1	Very high	91.2	Very high	115 Å²	115	53.8 Å²	53.8	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-33.5	175.6	-76.5	178.1	178	179.3	0	112.7	V839 E840 Y841 V850	V839-K843 HydrophobicContact CG1-CD 3.9Å; V839-K843 HydrophobicContact CG1-CG 4.19Å; V839-K843 WeakPolarHBondContact O-CB 3.32Å; V839-K843 WeakPolarHBondContact O-CG 3.28Å; V839-K843 PolarHBondContact O-N 3.22Å; E840-K843 PolarHBondContact O-N 2.99Å; Y841-K843 VanDerWaalsContact C-N 3.3Å; Y841-K843 PolarHBondContact O-N 3.44Å; K843-V850 HydrophobicContact CG-CG2 4.38Å
844	S	89.6	Confident	91.4	Very high	96 Å²	96	49.7 Å²	49.7	67%	0.671	27%	0.273	S	S	*	.	H	α-helix	trans	-79.1	-26.8	179.1	70.6	0	0	0	0	113.6	E840 Y841 L842	E840-S844 PolarHBondContact O-N 3.23Å; Y841-S844 PolarHBondContact O-N 2.86Å; Y841-S844 PolarHBondContact O-OG 3.14Å; L842-S844 VanDerWaalsContact C-N 3.31Å; L842-S844 PolarHBondContact O-N 2.91Å
845	V	85.9	Confident	91.4	Very high	61 Å²	61	48.4 Å²	48.4	37%	0.37	27%	0.267	S	S	.	.	H	α-helix	trans	-105	-50.5	-175.2	-179.4	0	0	0	0	113	T816 Y841 L842	T816-V845 HydrophobicContact CG2-CG1 3.14Å; Y841-V845 HydrophobicContact CD2-CG2 4.11Å; Y841-V845 HydrophobicContact CE1-CG2 4.2Å; Y841-V845 HydrophobicContact CE2-CG2 3.69Å; Y841-V845 WeakPolarHBondContact O-CG2 3.49Å; Y841-V845 PolarHBondContact O-N 2.85Å; L842-V845 PolarHBondContact O-N 3.44Å
846	D	80.4	Confident	91.4	Very high	59 Å²	59	52.6 Å²	52.6	32%	0.316	28%	0.283	S	S	.	.			trans	-159.8	96.1	176.9	-170.4	-8.7	0	0	0	112.4	L842 Q848 H849	L842-D846 CarbonylContact O-C 3.56Å; L842-D846 WeakPolarHBondContact O-CA 3.39Å; L842-D846 PolarHBondContact O-N 3.1Å; D846-Q848 PolarHBondContact O-N 2.73Å; D846-Q848 VanDerWaalsContact O-N 3.15Å; D846-Q848 VanDerWaalsContact OD1-CB 3.31Å; D846-Q848 WeakPolarHBondContact OD1-CB 3.49Å; D846-Q848 WeakPolarHBondContact OD1-CG 3.35Å; D846-Q848 PolarHBondContact OD1-N 3.23Å; D846-H849 PolarHBondContact O-N 2.95Å; D846-H849 IonicContact OD2-CD2 3.94Å; D846-H849 PolarHBondContact OD2-CD2 2.88Å; D846-H849 VanDerWaalsContact OD2-CD2 3.28Å; D846-H849 IonicContact OD2-NE2 3.65Å; D846-H849 PolarHBondContact OD2-NE2 3.27Å
847	S	87.2	Confident	91.4	Very high	76 Å²	76	49.6 Å²	49.6	53%	0.531	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-63.6	-17.5	-179	64.1	0	0	0	0	114.3	L842 H849 V850	L842-S847 PolarHBondContact O-N 3.31Å; L842-S847 VanDerWaalsContact O-N 3.14Å; S847-H849 PolarHBondContact O-N 3.32Å; S847-V850 WeakPolarHBondContact O-CG2 3.25Å; S847-V850 PolarHBondContact O-N 3.38Å
848	Q	89	Confident	91.4	Very high	160 Å²	160	48.7 Å²	48.7	75%	0.748	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-68.9	-21.9	-178.6	-59.5	-173.7	3.1	0	0	112.6	D846 P851	D846-Q848 PolarHBondContact O-N 2.73Å; D846-Q848 VanDerWaalsContact O-N 3.15Å; D846-Q848 VanDerWaalsContact OD1-CB 3.31Å; D846-Q848 WeakPolarHBondContact OD1-CB 3.49Å; D846-Q848 WeakPolarHBondContact OD1-CG 3.35Å; D846-Q848 PolarHBondContact OD1-N 3.23Å; Q848-P851 WeakPolarHBondContact O-CD 3.47Å
849	H	90.6	Very high	91.3	Very high	84 Å²	84	50.9 Å²	50.9	39%	0.389	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-85.8	-6.8	179.8	-72.6	-50.9	0	0	0	114.2	F819 L842 D846 S847 G852 F853	F819-H849 HydrophobicContact CB-CB 4.21Å; F819-H849 HydrophobicContact CD1-CB 3.75Å; F819-H849 AromaticContact CD1-CG 3.77Å; F819-H849 AromaticContact CD1-ND1 3.72Å; F819-H849 HydrophobicContact CE1-CB 4.5Å; F819-H849 AromaticContact CE1-ND1 3.83Å; F819-H849 HydrophobicContact CG-CB 4.19Å; L842-H849 HydrophobicContact CD2-CB 4.33Å; D846-H849 PolarHBondContact O-N 2.95Å; D846-H849 IonicContact OD2-CD2 3.94Å; D846-H849 PolarHBondContact OD2-CD2 2.88Å; D846-H849 VanDerWaalsContact OD2-CD2 3.28Å; D846-H849 IonicContact OD2-NE2 3.65Å; D846-H849 PolarHBondContact OD2-NE2 3.27Å; S847-H849 PolarHBondContact O-N 3.32Å; H849-G852 PolarHBondContact O-N 3Å; H849-F853 WeakPolarHBondContact O-CB 3.3Å; H849-F853 PolarHBondContact O-N 3.1Å
850	V	92.1	Very high	91.2	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-46.9	-178.9	176.2	0	0	0	0	112.4	L842 K843 S847 G852 F853 V854 M884	L842-V850 HydrophobicContact CB-CG2 3.92Å; K843-V850 HydrophobicContact CG-CG2 4.38Å; S847-V850 WeakPolarHBondContact O-CG2 3.25Å; S847-V850 PolarHBondContact O-N 3.38Å; V850-G852 PolarHBondContact O-N 2.93Å; V850-F853 WeakPolarHBondContact O-CB 3.47Å; V850-F853 PolarHBondContact O-N 3.24Å; V850-V854 HydrophobicContact CG1-CG2 4.32Å; V850-V854 WeakPolarHBondContact O-CG2 3.46Å; V850-V854 PolarHBondContact O-N 3.05Å; V850-M884 HydrophobicContact CG1-CE 3.79Å
851	P	91.3	Very high	91.2	Very high	63 Å²	63	44.9 Å²	44.9	41%	0.409	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-42.5	177.1	-26.2	36.6	0	0	0	113.4	Q848 V854 D855 V889	Q848-P851 WeakPolarHBondContact O-CD 3.47Å; P851-V854 PolarHBondContact O-N 3.09Å; P851-D855 PolarHBondContact O-N 3.18Å; P851-V889 HydrophobicContact CB-CG2 4.01Å
852	G	91.5	Very high	91	Very high	25 Å²	25	44 Å²	44	26%	0.258	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-38.7	176.9	0	0	0	0	0	112.6	F819 H849 V850 Y856	F819-G852 WeakPolarHBondContact CE2-O 3.45Å; H849-G852 PolarHBondContact O-N 3Å; V850-G852 PolarHBondContact O-N 2.93Å; G852-Y856 VanDerWaalsContact O-CD2 3.29Å; G852-Y856 WeakPolarHBondContact O-CD2 3.34Å; G852-Y856 PolarHBondContact O-N 3.38Å
853	F	94.1	Very high	90.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-45.1	172.7	168.8	-98.9	0	0	0	111.8	F819 L822 V823 L830 F835 V839 L842 H849 V850 Y856 C857	F819-F853 HydrophobicContact CB-CB 4.25Å; F819-F853 HydrophobicContact CD2-CB 3.82Å; F819-F853 HydrophobicContact CG-CB 4.3Å; L822-F853 HydrophobicContact CB-CD2 4.02Å; L822-F853 HydrophobicContact CB-CE2 3.7Å; V823-F853 HydrophobicContact CG1-CD2 3.61Å; V823-F853 HydrophobicContact CG1-CE2 4.14Å; V823-F853 HydrophobicContact CG1-CG 4.45Å; L830-F853 HydrophobicContact CD1-CE2 3.95Å; L830-F853 HydrophobicContact CD1-CZ 3.65Å; F835-F853 AromaticContact CD2-CE1 3.5Å; F835-F853 HydrophobicContact CD2-CE1 3.5Å; F835-F853 AromaticContact CD2-CZ 3.89Å; F835-F853 HydrophobicContact CD2-CZ 3.89Å; F835-F853 HydrophobicContact CE2-CD1 4.11Å; F835-F853 AromaticContact CE2-CE1 3.46Å; F835-F853 HydrophobicContact CE2-CE1 3.46Å; F835-F853 VanDerWaalsContact CE2-CE1 3.46Å; F835-F853 HydrophobicContact CE2-CZ 4.28Å; F835-F853 HydrophobicContact CG-CE1 4.29Å; F835-F853 HydrophobicContact CZ-CE1 4.21Å; V839-F853 HydrophobicContact CG2-CD1 4.08Å; V839-F853 HydrophobicContact CG2-CE1 3.7Å; L842-F853 HydrophobicContact CD1-CB 3.47Å; L842-F853 VanDerWaalsContact CD1-CB 3.47Å; L842-F853 HydrophobicContact CD1-CD1 3.93Å; L842-F853 HydrophobicContact CD1-CD2 3.84Å; L842-F853 HydrophobicContact CD1-CG 3.46Å; L842-F853 VanDerWaalsContact CD1-CG 3.46Å; H849-F853 WeakPolarHBondContact O-CB 3.3Å; H849-F853 PolarHBondContact O-N 3.1Å; V850-F853 WeakPolarHBondContact O-CB 3.47Å; V850-F853 PolarHBondContact O-N 3.24Å; F853-Y856 PolarHBondContact O-N 3.39Å; F853-C857 WeakPolarHBondContact CE2-SG 3.45Å; F853-C857 WeakPolarHBondContact CZ-SG 3.36Å; F853-C857 WeakPolarHBondContact O-CB 3.46Å; F853-C857 PolarHBondContact O-N 3.49Å; F853-C857 PolarHBondContact O-SG 3.36Å
854	V	94.4	Very high	90.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-45.8	177.8	172.5	0	0	0	0	111.7	F835 V850 P851 Y856 C857 L858 V877 M884 V889	F835-V854 HydrophobicContact CE2-CG2 4.06Å; F835-V854 HydrophobicContact CZ-CG2 3.8Å; V850-V854 HydrophobicContact CG1-CG2 4.32Å; V850-V854 WeakPolarHBondContact O-CG2 3.46Å; V850-V854 PolarHBondContact O-N 3.05Å; P851-V854 PolarHBondContact O-N 3.09Å; V854-Y856 VanDerWaalsContact C-N 3.34Å; V854-Y856 PolarHBondContact O-N 3.43Å; V854-C857 PolarHBondContact O-N 3.22Å; V854-L858 HydrophobicContact CG1-CD1 3.83Å; V854-L858 HydrophobicContact CG1-CG 4.4Å; V854-L858 WeakPolarHBondContact O-CB 3.45Å; V854-L858 WeakPolarHBondContact O-CG 3.4Å; V854-L858 PolarHBondContact O-N 3.33Å; V854-V877 HydrophobicContact CG1-CB 4.37Å; V854-V877 HydrophobicContact CG1-CG1 3.66Å; V854-V877 HydrophobicContact CG1-CG2 3.69Å; V854-M884 HydrophobicContact CB-SD 4.29Å; V854-M884 HydrophobicContact CG1-SD 4.13Å; V854-M884 HydrophobicContact CG2-CE 4.36Å; V854-M884 HydrophobicContact CG2-SD 3.86Å; V854-V889 HydrophobicContact CB-CG2 3.99Å; V854-V889 HydrophobicContact CG1-CG1 4.18Å; V854-V889 HydrophobicContact CG1-CG2 3.88Å
855	D	94.2	Very high	89.8	Confident	5 Å²	5	42 Å²	42	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-54.5	-48.9	175.8	175.9	67.2	0	0	0	112	P851 R859 C890 I891 T894	P851-D855 PolarHBondContact O-N 3.18Å; D855-R859 WeakPolarHBondContact O-CB 3.39Å; D855-R859 PolarHBondContact O-N 3.41Å; D855-R859 IonicContact OD2-CZ 3.48Å; D855-R859 IonicContact OD2-NH2 2.75Å; D855-R859 PolarHBondContact OD2-NH2 3.11Å; D855-C890 WeakPolarHBondContact OD1-CA 3.45Å; D855-I891 PolarHBondContact OD1-N 3.35Å; D855-T894 WeakPolarHBondContact OD1-CB 3.31Å; D855-T894 WeakPolarHBondContact OD1-CG2 3.3Å; D855-T894 PolarHBondContact OD1-OG1 3.36Å; D855-T894 PolarHBondContact OD2-OG1 3.03Å
856	Y	93.9	Very high	89.6	Confident	89 Å²	89	42.2 Å²	42.2	35%	0.349	23%	0.229	S	C	.	.	H	α-helix	trans	-70	-39	-179.1	-87.4	-111	0	0	0	112.6	F819 V823 G852 F853 V854 R859 N860	F819-Y856 HydrophobicContact CE2-CD2 4.15Å; F819-Y856 HydrophobicContact CE2-CG 4.43Å; V823-Y856 VanDerWaalsContact CG1-CB 3.45Å; V823-Y856 HydrophobicContact CG1-CG 4.34Å; V823-Y856 HydrophobicContact CG2-CD1 4.37Å; G852-Y856 VanDerWaalsContact O-CD2 3.29Å; G852-Y856 WeakPolarHBondContact O-CD2 3.34Å; G852-Y856 PolarHBondContact O-N 3.38Å; F853-Y856 PolarHBondContact O-N 3.39Å; V854-Y856 VanDerWaalsContact C-N 3.34Å; V854-Y856 PolarHBondContact O-N 3.43Å; Y856-R859 PolarHBondContact O-N 3.17Å; Y856-N860 WeakPolarHBondContact O-CB 3.4Å; Y856-N860 VanDerWaalsContact O-CG 3.31Å; Y856-N860 PolarHBondContact O-N 2.96Å
857	C	93.8	Very high	89.8	Confident	4 Å²	4	42.1 Å²	42.1	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-44.4	176.2	-68.2	0	0	0	0	111.5	F835 F853 V854 R859 N860 A861 L873	F835-C857 HydrophobicContact CD2-CB 4.2Å; F835-C857 HydrophobicContact CE2-CB 4.22Å; F853-C857 WeakPolarHBondContact CE2-SG 3.45Å; F853-C857 WeakPolarHBondContact CZ-SG 3.36Å; F853-C857 WeakPolarHBondContact O-CB 3.46Å; F853-C857 PolarHBondContact O-N 3.49Å; F853-C857 PolarHBondContact O-SG 3.36Å; V854-C857 PolarHBondContact O-N 3.22Å; C857-R859 VanDerWaalsContact C-N 3.34Å; C857-R859 PolarHBondContact O-N 2.92Å; C857-N860 PolarHBondContact O-N 3.46Å; C857-A861 VanDerWaalsContact O-CB 3.28Å; C857-A861 WeakPolarHBondContact O-CB 3.07Å; C857-A861 PolarHBondContact O-N 3.38Å; C857-L873 HydrophobicContact CB-CD2 3.71Å
858	L	93.5	Very high	89.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-40.6	175.6	-77.1	170.2	0	0	0	111.4	V854 A861 A862 L873 I874 V877 L886 C890 L898	V854-L858 HydrophobicContact CG1-CD1 3.83Å; V854-L858 HydrophobicContact CG1-CG 4.4Å; V854-L858 WeakPolarHBondContact O-CB 3.45Å; V854-L858 WeakPolarHBondContact O-CG 3.4Å; V854-L858 PolarHBondContact O-N 3.33Å; L858-A861 PolarHBondContact O-N 2.92Å; L858-A862 WeakPolarHBondContact O-CB 3.23Å; L858-A862 PolarHBondContact O-N 2.74Å; L858-L873 HydrophobicContact CD2-CD2 3.71Å; L858-L873 HydrophobicContact CG-CD2 3.87Å; L858-I874 HydrophobicContact CD2-CG1 3.79Å; L858-V877 HydrophobicContact CD1-CG1 4.32Å; L858-V877 HydrophobicContact CD1-CG2 4.5Å; L858-L886 HydrophobicContact CD1-CD2 3.71Å; L858-C890 VanDerWaalsContact CD1-SG 3.6Å; L858-L898 HydrophobicContact CB-CD2 4.5Å
859	R	92.6	Very high	89.5	Confident	47 Å²	47	38 Å²	38	18%	0.177	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-47.7	174.5	-167.6	-175.7	-59.8	166.1	11.8	111.9	D855 Y856 C857 A862 L863 I891 T894	D855-R859 WeakPolarHBondContact O-CB 3.39Å; D855-R859 PolarHBondContact O-N 3.41Å; D855-R859 IonicContact OD2-CZ 3.48Å; D855-R859 IonicContact OD2-NH2 2.75Å; D855-R859 PolarHBondContact OD2-NH2 3.11Å; Y856-R859 PolarHBondContact O-N 3.17Å; C857-R859 VanDerWaalsContact C-N 3.34Å; C857-R859 PolarHBondContact O-N 2.92Å; R859-A862 PolarHBondContact O-N 3.19Å; R859-L863 HydrophobicContact CG-CD1 4.29Å; R859-L863 WeakPolarHBondContact O-CG 3.4Å; R859-L863 PolarHBondContact O-N 3.31Å; R859-I891 VanDerWaalsContact NH2-CD1 3.3Å; R859-I891 VanDerWaalsContact NH2-CG1 3.34Å; R859-T894 HydrophobicContact CB-CG2 3.86Å; R859-T894 HydrophobicContact CG-CG2 4.48Å; R859-T894 VanDerWaalsContact CZ-OG1 3.24Å; R859-T894 PolarHBondContact NE-OG1 2.88Å; R859-T894 PolarHBondContact NH2-OG1 3.09Å
860	N	91.1	Very high	89.5	Confident	21 Å²	21	34 Å²	34	11%	0.112	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-41.9	179.8	-74.6	-18.6	0	0	0	111.5	V823 G824 Y856 C857 L863 S864	V823-N860 PolarHBondContact O-ND2 3.08Å; G824-N860 PolarHBondContact O-ND2 3.49Å; Y856-N860 WeakPolarHBondContact O-CB 3.4Å; Y856-N860 VanDerWaalsContact O-CG 3.31Å; Y856-N860 PolarHBondContact O-N 2.96Å; C857-N860 PolarHBondContact O-N 3.46Å; N860-L863 PolarHBondContact O-N 3.34Å; N860-S864 PolarHBondContact O-N 3.33Å; N860-S864 VanDerWaalsContact O-N 3.13Å
861	A	91.6	Very high	89.5	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-39.3	176.5	0	0	0	0	0	112	C857 L858 L863 S864 F870	C857-A861 VanDerWaalsContact O-CB 3.28Å; C857-A861 WeakPolarHBondContact O-CB 3.07Å; C857-A861 PolarHBondContact O-N 3.38Å; L858-A861 PolarHBondContact O-N 2.92Å; A861-L863 VanDerWaalsContact C-N 3.31Å; A861-L863 PolarHBondContact O-N 3.38Å; A861-S864 VanDerWaalsContact O-CB 3.31Å; A861-S864 WeakPolarHBondContact O-CB 3.44Å; A861-S864 PolarHBondContact O-N 2.85Å; A861-S864 VanDerWaalsContact O-N 3.08Å; A861-S864 PolarHBondContact O-OG 3.34Å; A861-F870 HydrophobicContact CB-CB 4.33Å; A861-F870 HydrophobicContact CB-CD2 3.95Å
862	A	90.2	Very high	89.5	Confident	4 Å²	4	35 Å²	35	3%	0.033	18%	0.184	C	C	.	.	H	α-helix	trans	-68.2	-28	176.6	0	0	0	0	0	113.6	L858 R859 S864 F870 V897 L898 R901	L858-A862 WeakPolarHBondContact O-CB 3.23Å; L858-A862 PolarHBondContact O-N 2.74Å; R859-A862 PolarHBondContact O-N 3.19Å; A862-S864 VanDerWaalsContact C-N 3.31Å; A862-F870 HydrophobicContact CB-CD2 4.25Å; A862-F870 HydrophobicContact CB-CE2 3.73Å; A862-F870 HydrophobicContact CB-CZ 4.13Å; A862-V897 HydrophobicContact CB-CG1 3.85Å; A862-L898 HydrophobicContact CB-CD2 3.78Å; A862-L898 HydrophobicContact CB-CG 4.42Å; A862-R901 HydrophobicContact CB-CB 4.29Å; A862-R901 WeakPolarHBondContact O-CD 3.47Å; A862-R901 WeakPolarHBondContact O-CG 3.32Å
863	L	86.7	Confident	89.6	Confident	61 Å²	61	33.9 Å²	33.9	32%	0.319	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.4	171.9	-68.2	172.1	0	0	0	113	P826 R859 N860 A861 V897	P826-L863 HydrophobicContact CB-CB 3.84Å; P826-L863 HydrophobicContact CG-CB 3.88Å; P826-L863 HydrophobicContact CG-CD1 4.16Å; R859-L863 HydrophobicContact CG-CD1 4.29Å; R859-L863 WeakPolarHBondContact O-CG 3.4Å; R859-L863 PolarHBondContact O-N 3.31Å; N860-L863 PolarHBondContact O-N 3.34Å; A861-L863 VanDerWaalsContact C-N 3.31Å; A861-L863 PolarHBondContact O-N 3.38Å; L863-V897 HydrophobicContact CD2-CG1 3.64Å; L863-V897 HydrophobicContact CG-CG1 3.75Å
864	S	84.3	Confident	89.5	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.021	17%	0.173	C	C	.	.	S	Bend	trans	-80.6	160.6	179.3	84.6	0	0	0	0	111.7	P826 N860 A861 A862 N866	P826-S864 WeakPolarHBondContact O-CA 3.4Å; P826-S864 WeakPolarHBondContact O-CB 3.41Å; N860-S864 PolarHBondContact O-N 3.33Å; N860-S864 VanDerWaalsContact O-N 3.13Å; A861-S864 VanDerWaalsContact O-CB 3.31Å; A861-S864 WeakPolarHBondContact O-CB 3.44Å; A861-S864 PolarHBondContact O-N 2.85Å; A861-S864 VanDerWaalsContact O-N 3.08Å; A861-S864 PolarHBondContact O-OG 3.34Å; A862-S864 VanDerWaalsContact C-N 3.31Å; S864-N866 VanDerWaalsContact C-N 3.31Å; S864-N866 PolarHBondContact OG-N 2.93Å; S864-N866 PolarHBondContact OG-O 3.4Å
865	T	76.9	Confident	89.5	Confident	108 Å²	108	36.6 Å²	36.6	66%	0.663	18%	0.183	S	C	*	.	S	Bend	trans	-86.1	-3.4	171	52.9	0	0	0	0	112.8	D867	T865-D867 PolarHBondContact O-N 3.4Å
866	N	81.7	Confident	89.4	Confident	67 Å²	67	36.9 Å²	36.9	36%	0.358	19%	0.185	S	C	.	.			trans	-96.9	93.5	-176	-172	-28.3	0	0	0	111	S864 D868 N869 F870	S864-N866 VanDerWaalsContact C-N 3.31Å; S864-N866 PolarHBondContact OG-N 2.93Å; S864-N866 PolarHBondContact OG-O 3.4Å; N866-D868 VanDerWaalsContact C-N 3.29Å; N866-D868 PolarHBondContact O-N 3.4Å; N866-D868 WeakPolarHBondContact OD1-CB 3.45Å; N866-D868 PolarHBondContact OD1-N 3.48Å; N866-D868 VanDerWaalsContact OD1-N 3.16Å; N866-N869 HydrophobicContact CB-CB 4.3Å; N866-N869 PolarHBondContact ND2-ND2 3.43Å; N866-N869 PolarHBondContact O-N 2.94Å; N866-N869 PolarHBondContact OD1-N 2.99Å; N866-F870 PolarHBondContact O-N 3.33Å; N866-F870 VanDerWaalsContact O-N 3.15Å
867	D	84.4	Confident	89.4	Confident	56 Å²	56	32.7 Å²	32.7	30%	0.299	17%	0.168	S	C	.	.	H	α-helix	trans	-61.7	-34.6	179.2	-73.1	-38.4	0	0	0	112.8	T865 F870 Y871 R901	T865-D867 PolarHBondContact O-N 3.4Å; D867-F870 PolarHBondContact O-N 2.7Å; D867-Y871 HydrophobicContact CB-CD2 4.34Å; D867-Y871 HydrophobicContact CB-CE2 3.78Å; D867-Y871 WeakPolarHBondContact O-CB 3.48Å; D867-Y871 VanDerWaalsContact O-CD2 3.26Å; D867-Y871 WeakPolarHBondContact O-CD2 3.45Å; D867-Y871 PolarHBondContact O-N 3.36Å; D867-R901 IonicContact OD1-CZ 3.87Å; D867-R901 IonicContact OD1-NE 3.97Å; D867-R901 PolarHBondContact OD1-NE 3.31Å; D867-R901 IonicContact OD1-NH2 2.82Å; D867-R901 PolarHBondContact OD1-NH2 3.09Å; D867-R901 IonicContact OD2-NH2 3.22Å
868	D	85.5	Confident	89.3	Confident	117 Å²	117	34.4 Å²	34.4	63%	0.626	18%	0.179	S	C	*	.	H	α-helix	trans	-63.4	-48.5	179.7	-75.2	-26.7	0	0	0	111.5	N866 F870 Y871 Q872	N866-D868 VanDerWaalsContact C-N 3.29Å; N866-D868 PolarHBondContact O-N 3.4Å; N866-D868 WeakPolarHBondContact OD1-CB 3.45Å; N866-D868 PolarHBondContact OD1-N 3.48Å; N866-D868 VanDerWaalsContact OD1-N 3.16Å; D868-F870 VanDerWaalsContact C-N 3.31Å; D868-F870 PolarHBondContact O-N 2.71Å; D868-Y871 PolarHBondContact O-N 2.95Å; D868-Q872 VanDerWaalsContact O-CB 3.28Å; D868-Q872 WeakPolarHBondContact O-CB 3.41Å; D868-Q872 WeakPolarHBondContact O-CG 3.47Å; D868-Q872 PolarHBondContact O-N 3.36Å
869	N	85.3	Confident	89.1	Confident	32 Å²	32	36.9 Å²	36.9	17%	0.171	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-42.5	176	-79.7	-12.5	0	0	0	111	S829 N866 Q872 L873	S829-N869 PolarHBondContact O-ND2 3.26Å; S829-N869 WeakPolarHBondContact OG-CB 3.28Å; S829-N869 PolarHBondContact OG-ND2 3.24Å; S829-N869 VanDerWaalsContact OG-ND2 3.14Å; N866-N869 HydrophobicContact CB-CB 4.3Å; N866-N869 PolarHBondContact ND2-ND2 3.43Å; N866-N869 PolarHBondContact O-N 2.94Å; N866-N869 PolarHBondContact OD1-N 2.99Å; N869-Q872 PolarHBondContact O-N 2.62Å; N869-L873 WeakPolarHBondContact O-CB 3.35Å; N869-L873 PolarHBondContact O-N 3.14Å
870	F	91.2	Very high	88.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-50.2	177.9	176.7	-130.9	0	0	0	112.5	A861 A862 N866 D867 D868 L873 I874 L898 R901 L902	A861-F870 HydrophobicContact CB-CB 4.33Å; A861-F870 HydrophobicContact CB-CD2 3.95Å; A862-F870 HydrophobicContact CB-CD2 4.25Å; A862-F870 HydrophobicContact CB-CE2 3.73Å; A862-F870 HydrophobicContact CB-CZ 4.13Å; N866-F870 PolarHBondContact O-N 3.33Å; N866-F870 VanDerWaalsContact O-N 3.15Å; D867-F870 PolarHBondContact O-N 2.7Å; D868-F870 VanDerWaalsContact C-N 3.31Å; D868-F870 PolarHBondContact O-N 2.71Å; F870-L873 PolarHBondContact O-N 3.44Å; F870-I874 HydrophobicContact CD1-CD1 4.5Å; F870-I874 HydrophobicContact CD2-CD1 4.06Å; F870-I874 HydrophobicContact CD2-CG1 4.4Å; F870-I874 HydrophobicContact CE1-CD1 3.96Å; F870-I874 HydrophobicContact CE2-CD1 3.45Å; F870-I874 VanDerWaalsContact CE2-CD1 3.45Å; F870-I874 HydrophobicContact CE2-CG1 4.03Å; F870-I874 HydrophobicContact CZ-CD1 3.4Å; F870-I874 HydrophobicContact CZ-CG1 4.45Å; F870-I874 PolarHBondContact O-N 3.12Å; F870-L898 HydrophobicContact CE2-CD2 3.41Å; F870-L898 VanDerWaalsContact CE2-CD2 3.41Å; F870-L898 HydrophobicContact CZ-CD2 3.65Å; F870-R901 HydrophobicContact CD1-CG 4.13Å; F870-R901 HydrophobicContact CE1-CB 4.47Å; F870-R901 HydrophobicContact CE1-CG 3.71Å; F870-R901 HydrophobicContact CZ-CG 4.21Å; F870-L902 HydrophobicContact CE1-CD2 4.18Å; F870-L902 HydrophobicContact CZ-CD2 4.38Å
871	Y	92.1	Very high	88.2	Confident	19 Å²	19	43.5 Å²	43.5	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-39.9	179.3	-59.1	-23.2	0	0	0	112	D867 D868 L873 I874 R875 L908 P909 I912	D867-Y871 HydrophobicContact CB-CD2 4.34Å; D867-Y871 HydrophobicContact CB-CE2 3.78Å; D867-Y871 WeakPolarHBondContact O-CB 3.48Å; D867-Y871 VanDerWaalsContact O-CD2 3.26Å; D867-Y871 WeakPolarHBondContact O-CD2 3.45Å; D867-Y871 PolarHBondContact O-N 3.36Å; D868-Y871 PolarHBondContact O-N 2.95Å; Y871-L873 VanDerWaalsContact C-N 3.32Å; Y871-L873 PolarHBondContact O-N 3.48Å; Y871-I874 PolarHBondContact O-N 3.08Å; Y871-R875 WeakPolarHBondContact O-CG 3.44Å; Y871-R875 PolarHBondContact O-N 3.26Å; Y871-L908 HydrophobicContact CE1-CD2 3.72Å; Y871-P909 HydrophobicContact CD2-CG 4.07Å; Y871-P909 HydrophobicContact CE2-CG 4.23Å; Y871-I912 HydrophobicContact CD1-CG1 4.22Å; Y871-I912 HydrophobicContact CD1-CG2 4.11Å; Y871-I912 HydrophobicContact CE1-CG2 4.49Å; Y871-I912 HydrophobicContact CG-CD1 4.45Å; Y871-I912 HydrophobicContact CG-CG1 4.13Å; Y871-I912 WeakPolarHBondContact O-CD1 3.11Å
872	Q	91.5	Very high	88	Confident	75 Å²	75	44.5 Å²	44.5	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-36.4	175.7	-72.7	-61.5	-23.9	0	0	112.5	D868 N869 R875 T876	D868-Q872 VanDerWaalsContact O-CB 3.28Å; D868-Q872 WeakPolarHBondContact O-CB 3.41Å; D868-Q872 WeakPolarHBondContact O-CG 3.47Å; D868-Q872 PolarHBondContact O-N 3.36Å; N869-Q872 PolarHBondContact O-N 2.62Å; Q872-R875 PolarHBondContact O-N 3.22Å; Q872-T876 WeakPolarHBondContact O-CB 3.43Å; Q872-T876 PolarHBondContact O-N 3.12Å; Q872-T876 PolarHBondContact O-OG1 3.5Å
873	L	92.2	Very high	87.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-44.3	177	-147.9	109.3	0	0	0	110.9	L830 F835 C857 L858 N869 F870 Y871 R875 T876 V877	L830-L873 HydrophobicContact CB-CD1 4.44Å; L830-L873 WeakPolarHBondContact O-CD1 3.47Å; F835-L873 HydrophobicContact CB-CD1 4.04Å; F835-L873 HydrophobicContact CD2-CD1 3.76Å; F835-L873 HydrophobicContact CD2-CD2 4.37Å; F835-L873 HydrophobicContact CD2-CG 4.14Å; F835-L873 HydrophobicContact CE2-CD1 4.49Å; F835-L873 HydrophobicContact CE2-CD2 4.34Å; F835-L873 HydrophobicContact CE2-CG 4.4Å; F835-L873 HydrophobicContact CG-CD1 4.03Å; C857-L873 HydrophobicContact CB-CD2 3.71Å; L858-L873 HydrophobicContact CD2-CD2 3.71Å; L858-L873 HydrophobicContact CG-CD2 3.87Å; N869-L873 WeakPolarHBondContact O-CB 3.35Å; N869-L873 PolarHBondContact O-N 3.14Å; F870-L873 PolarHBondContact O-N 3.44Å; Y871-L873 VanDerWaalsContact C-N 3.32Å; Y871-L873 PolarHBondContact O-N 3.48Å; L873-R875 PolarHBondContact O-N 3.3Å; L873-T876 PolarHBondContact O-N 3.35Å; L873-V877 VanDerWaalsContact O-CG2 3.26Å; L873-V877 WeakPolarHBondContact O-CG2 3.41Å; L873-V877 PolarHBondContact O-N 3.26Å
874	I	93.2	Very high	88.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-52.2	172.8	-71	172.6	0	0	0	110.1	L858 F870 Y871 T876 V877 V878 L886 I912 A915 T916	L858-I874 HydrophobicContact CD2-CG1 3.79Å; F870-I874 HydrophobicContact CD1-CD1 4.5Å; F870-I874 HydrophobicContact CD2-CD1 4.06Å; F870-I874 HydrophobicContact CD2-CG1 4.4Å; F870-I874 HydrophobicContact CE1-CD1 3.96Å; F870-I874 HydrophobicContact CE2-CD1 3.45Å; F870-I874 VanDerWaalsContact CE2-CD1 3.45Å; F870-I874 HydrophobicContact CE2-CG1 4.03Å; F870-I874 HydrophobicContact CZ-CD1 3.4Å; F870-I874 HydrophobicContact CZ-CG1 4.45Å; F870-I874 PolarHBondContact O-N 3.12Å; Y871-I874 PolarHBondContact O-N 3.08Å; I874-T876 VanDerWaalsContact C-N 3.28Å; I874-T876 PolarHBondContact O-N 2.85Å; I874-V877 PolarHBondContact O-N 3.44Å; I874-V877 VanDerWaalsContact O-N 3.16Å; I874-V878 HydrophobicContact CG2-CG1 4.39Å; I874-V878 VanDerWaalsContact O-CG2 3.3Å; I874-V878 WeakPolarHBondContact O-CG2 3.36Å; I874-V878 PolarHBondContact O-N 2.82Å; I874-L886 HydrophobicContact CG2-CD1 4.49Å; I874-I912 HydrophobicContact CB-CD1 4.14Å; I874-I912 HydrophobicContact CD1-CG2 4.26Å; I874-I912 HydrophobicContact CG2-CD1 3.96Å; I874-A915 HydrophobicContact CG2-CB 4.24Å; I874-T916 HydrophobicContact CD1-CG2 4.03Å; I874-T916 HydrophobicContact CG2-CG2 4.31Å
875	R	93.4	Very high	88.5	Confident	58 Å²	58	51.7 Å²	51.7	22%	0.219	29%	0.288	C	S	.	.	H	α-helix	trans	-53.3	-46.2	177.5	-75.8	171.3	-177.5	117.7	10.5	112.1	Y871 Q872 L873 V877 S879 D911 I912	Y871-R875 WeakPolarHBondContact O-CG 3.44Å; Y871-R875 PolarHBondContact O-N 3.26Å; Q872-R875 PolarHBondContact O-N 3.22Å; L873-R875 PolarHBondContact O-N 3.3Å; R875-V877 VanDerWaalsContact C-N 3.34Å; R875-V877 PolarHBondContact O-N 3.1Å; R875-S879 WeakPolarHBondContact O-CB 3.44Å; R875-S879 PolarHBondContact O-N 3.17Å; R875-S879 VanDerWaalsContact O-N 3.07Å; R875-S879 PolarHBondContact O-OG 3.25Å; R875-D911 IonicContact CZ-OD1 3.38Å; R875-D911 IonicContact CZ-OD2 3.56Å; R875-D911 IonicContact NE-OD1 2.67Å; R875-D911 IonicContact NE-OD2 3.22Å; R875-D911 PolarHBondContact NE-OD2 3.06Å; R875-D911 IonicContact NH2-OD1 3.22Å; R875-D911 PolarHBondContact NH2-OD1 2.97Å; R875-D911 IonicContact NH2-OD2 2.86Å; R875-D911 PolarHBondContact NH2-OD2 3.5Å; R875-I912 HydrophobicContact CG-CD1 3.77Å
876	T	92.9	Very high	89.2	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-37.4	-177.2	-57.1	0	0	0	0	111.7	K832 F835 L836 Q872 L873 I874 F882	K832-T876 HydrophobicContact CG-CG2 4.41Å; F835-T876 HydrophobicContact CD1-CG2 3.97Å; F835-T876 HydrophobicContact CE1-CG2 3.94Å; L836-T876 HydrophobicContact CD2-CG2 4.17Å; Q872-T876 WeakPolarHBondContact O-CB 3.43Å; Q872-T876 PolarHBondContact O-N 3.12Å; Q872-T876 PolarHBondContact O-OG1 3.5Å; L873-T876 PolarHBondContact O-N 3.35Å; I874-T876 VanDerWaalsContact C-N 3.28Å; I874-T876 PolarHBondContact O-N 2.85Å; T876-F882 HydrophobicContact CG2-CD2 4.26Å; T876-F882 HydrophobicContact CG2-CE2 4Å; T876-F882 WeakPolarHBondContact O-CD2 3.36Å
877	V	93	Very high	89.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-73.9	-41.9	-179.1	171.1	0	0	0	0	112.3	F835 V854 L858 L873 I874 R875 F882 N883 M884 L886	F835-V877 HydrophobicContact CE1-CG2 4.45Å; F835-V877 HydrophobicContact CE2-CG2 4.34Å; F835-V877 HydrophobicContact CZ-CG2 3.78Å; V854-V877 HydrophobicContact CG1-CB 4.37Å; V854-V877 HydrophobicContact CG1-CG1 3.66Å; V854-V877 HydrophobicContact CG1-CG2 3.69Å; L858-V877 HydrophobicContact CD1-CG1 4.32Å; L858-V877 HydrophobicContact CD1-CG2 4.5Å; L873-V877 VanDerWaalsContact O-CG2 3.26Å; L873-V877 WeakPolarHBondContact O-CG2 3.41Å; L873-V877 PolarHBondContact O-N 3.26Å; I874-V877 PolarHBondContact O-N 3.44Å; I874-V877 VanDerWaalsContact O-N 3.16Å; R875-V877 VanDerWaalsContact C-N 3.34Å; R875-V877 PolarHBondContact O-N 3.1Å; V877-F882 VanDerWaalsContact O-CB 3.23Å; V877-F882 WeakPolarHBondContact O-CB 3.5Å; V877-N883 PolarHBondContact O-N 2.76Å; V877-M884 HydrophobicContact CG1-CB 3.78Å; V877-M884 HydrophobicContact CG1-CG 4.5Å; V877-M884 HydrophobicContact CG1-SD 4.29Å; V877-M884 PolarHBondContact O-N 2.79Å; V877-L886 HydrophobicContact CG1-CD2 4.14Å
878	V	92.5	Very high	89.9	Confident	40 Å²	40	51.3 Å²	51.3	24%	0.242	28%	0.276	C	S	.	.	H	α-helix	trans	-84.8	-18.8	-175.6	-55.6	0	0	0	0	113.6	I874 L886 A915	I874-V878 HydrophobicContact CG2-CG1 4.39Å; I874-V878 VanDerWaalsContact O-CG2 3.3Å; I874-V878 WeakPolarHBondContact O-CG2 3.36Å; I874-V878 PolarHBondContact O-N 2.82Å; V878-L886 HydrophobicContact CG1-CD1 4.17Å; V878-L886 HydrophobicContact CG1-CD2 3.97Å; V878-L886 HydrophobicContact CG1-CG 3.85Å; V878-A915 HydrophobicContact CG1-CB 4.31Å; V878-A915 HydrophobicContact CG2-CB 3.95Å
879	S	88.9	Confident	90.2	Very high	52 Å²	52	46.6 Å²	46.6	36%	0.364	25%	0.252	S	S	.	.	S	Bend	trans	-92.3	163.6	-179.9	-54.8	0	0	0	0	112.3	R875 F882 N883	R875-S879 WeakPolarHBondContact O-CB 3.44Å; R875-S879 PolarHBondContact O-N 3.17Å; R875-S879 VanDerWaalsContact O-N 3.07Å; R875-S879 PolarHBondContact O-OG 3.25Å; S879-F882 PolarHBondContact O-N 3.43Å; S879-N883 PolarHBondContact O-N 3Å
880	P	81.6	Confident	90.5	Very high	102 Å²	102	45.4 Å²	45.4	66%	0.662	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	142.1	169.6	-23.6	32.9	0	0	0	111.3	N883	P880-N883 VanDerWaalsContact CD-OD1 3.25Å; P880-N883 WeakPolarHBondContact CD-OD1 3.44Å; P880-N883 WeakPolarHBondContact CG-OD1 3.46Å; P880-N883 VanDerWaalsContact N-OD1 3.1Å
881	P	83.1	Confident	90.5	Very high	106 Å²	106	49.6 Å²	49.6	69%	0.688	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.7	3.4	8	36.1	-36.7	0	0	0	114.7
882	F	86.6	Confident	90.3	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.096	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-47.6	-173.6	-68.1	-86.8	0	0	0	112.5	F835 L836 V839 T876 V877 S879 M884	F835-F882 HydrophobicContact CE1-CE1 4.17Å; F835-F882 HydrophobicContact CE1-CE2 4.21Å; F835-F882 AromaticContact CE1-CZ 3.85Å; F835-F882 HydrophobicContact CE1-CZ 3.85Å; L836-F882 HydrophobicContact CD2-CE2 3.63Å; L836-F882 HydrophobicContact CD2-CZ 3.83Å; V839-F882 HydrophobicContact CB-CE1 4.24Å; V839-F882 HydrophobicContact CB-CZ 4.17Å; V839-F882 HydrophobicContact CG1-CE1 3.56Å; V839-F882 HydrophobicContact CG1-CZ 3.74Å; V839-F882 HydrophobicContact CG2-CE1 3.83Å; V839-F882 HydrophobicContact CG2-CZ 3.96Å; T876-F882 HydrophobicContact CG2-CD2 4.26Å; T876-F882 HydrophobicContact CG2-CE2 4Å; T876-F882 WeakPolarHBondContact O-CD2 3.36Å; V877-F882 VanDerWaalsContact O-CB 3.23Å; V877-F882 WeakPolarHBondContact O-CB 3.5Å; S879-F882 PolarHBondContact O-N 3.43Å; F882-M884 HydrophobicContact CB-CG 4.28Å; F882-M884 HydrophobicContact CD1-CE 3.82Å; F882-M884 PolarHBondContact O-N 2.98Å; F882-M884 VanDerWaalsContact O-N 3.1Å
883	N	89.7	Confident	90.2	Very high	108 Å²	108	51.6 Å²	51.6	58%	0.578	28%	0.283	S	S	*	.			trans	45.8	40.1	179.2	-65.9	-38.2	0	0	0	113.3	V877 S879 P880	V877-N883 PolarHBondContact O-N 2.76Å; S879-N883 PolarHBondContact O-N 3Å; P880-N883 VanDerWaalsContact CD-OD1 3.25Å; P880-N883 WeakPolarHBondContact CD-OD1 3.44Å; P880-N883 WeakPolarHBondContact CG-OD1 3.46Å; P880-N883 VanDerWaalsContact N-OD1 3.1Å
884	M	91	Very high	90.2	Very high	42 Å²	42	51.5 Å²	51.5	21%	0.207	28%	0.282	C	S	.	.			trans	-86.4	130	-176.7	-66.3	178.8	-179	0	0	110.8	V850 V854 V877 F882 L886 V889	V850-M884 HydrophobicContact CG1-CE 3.79Å; V854-M884 HydrophobicContact CB-SD 4.29Å; V854-M884 HydrophobicContact CG1-SD 4.13Å; V854-M884 HydrophobicContact CG2-CE 4.36Å; V854-M884 HydrophobicContact CG2-SD 3.86Å; V877-M884 HydrophobicContact CG1-CB 3.78Å; V877-M884 HydrophobicContact CG1-CG 4.5Å; V877-M884 HydrophobicContact CG1-SD 4.29Å; V877-M884 PolarHBondContact O-N 2.79Å; F882-M884 HydrophobicContact CB-CG 4.28Å; F882-M884 HydrophobicContact CD1-CE 3.82Å; F882-M884 PolarHBondContact O-N 2.98Å; F882-M884 VanDerWaalsContact O-N 3.1Å; M884-L886 PolarHBondContact O-N 3.33Å; M884-V889 HydrophobicContact SD-CG2 4.02Å
885	D	91	Very high	90.1	Very high	68 Å²	68	51.6 Å²	51.6	36%	0.364	28%	0.282	S	S	.	.			trans	-73.4	118.6	169.9	178.7	-4.8	0	0	0	109.8	L887 Q888 V889	D885-L887 PolarHBondContact O-N 3.46Å; D885-L887 WeakPolarHBondContact OD1-CB 3.49Å; D885-L887 PolarHBondContact OD1-N 3.09Å; D885-Q888 HydrophobicContact CB-CB 4.16Å; D885-Q888 HydrophobicContact CB-CG 4.03Å; D885-Q888 PolarHBondContact O-N 2.89Å; D885-Q888 WeakPolarHBondContact OD2-CG 3.35Å; D885-Q888 PolarHBondContact OD2-NE2 3.18Å; D885-V889 PolarHBondContact O-N 3.29Å
886	L	92.2	Very high	89.9	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-55.2	-36.5	179.5	-64.3	-179.2	0	0	0	112.3	L858 I874 V877 V878 M884 Q888 C890 T916 V919	L858-L886 HydrophobicContact CD1-CD2 3.71Å; I874-L886 HydrophobicContact CG2-CD1 4.49Å; V877-L886 HydrophobicContact CG1-CD2 4.14Å; V878-L886 HydrophobicContact CG1-CD1 4.17Å; V878-L886 HydrophobicContact CG1-CD2 3.97Å; V878-L886 HydrophobicContact CG1-CG 3.85Å; M884-L886 PolarHBondContact O-N 3.33Å; L886-Q888 VanDerWaalsContact C-N 3.28Å; L886-Q888 PolarHBondContact O-N 2.97Å; L886-C890 VanDerWaalsContact O-CB 3.28Å; L886-C890 WeakPolarHBondContact O-CB 3.46Å; L886-C890 PolarHBondContact O-N 2.98Å; L886-C890 VanDerWaalsContact O-N 3.13Å; L886-T916 HydrophobicContact CD1-CG2 3.98Å; L886-V919 HydrophobicContact CB-CG2 4.05Å; L886-V919 HydrophobicContact CD1-CG2 4.42Å
887	L	91.8	Very high	89.7	Confident	53 Å²	53	54.8 Å²	54.8	28%	0.277	30%	0.301	S	S	.	.	H	α-helix	trans	-70.3	-24.7	179.5	-72.2	-179.6	0	0	0	113.3	D885 L895 P918 V919 K922	D885-L887 PolarHBondContact O-N 3.46Å; D885-L887 WeakPolarHBondContact OD1-CB 3.49Å; D885-L887 PolarHBondContact OD1-N 3.09Å; L887-L895 HydrophobicContact CD2-CD1 4.1Å; L887-L895 HydrophobicContact CD2-CD2 4.21Å; L887-P918 HydrophobicContact CD1-CB 3.53Å; L887-P918 HydrophobicContact CG-CB 4.04Å; L887-V919 HydrophobicContact CD2-CG2 4.11Å; L887-K922 HydrophobicContact CD2-CB 4.35Å; L887-K922 HydrophobicContact CD2-CD 3.65Å
888	Q	89.9	Confident	89.6	Confident	164 Å²	164	54.9 Å²	54.9	77%	0.766	30%	0.302	S	S	*	.	H	α-helix	trans	-92.2	-40.2	179.5	-65	-177.9	23.2	0	0	112.1	D885 L886	D885-Q888 HydrophobicContact CB-CB 4.16Å; D885-Q888 HydrophobicContact CB-CG 4.03Å; D885-Q888 PolarHBondContact O-N 2.89Å; D885-Q888 WeakPolarHBondContact OD2-CG 3.35Å; D885-Q888 PolarHBondContact OD2-NE2 3.18Å; L886-Q888 VanDerWaalsContact C-N 3.28Å; L886-Q888 PolarHBondContact O-N 2.97Å
889	V	91.7	Very high	89.5	Confident	19 Å²	19	54.5 Å²	54.5	12%	0.115	30%	0.296	C	S	.	.	H	α-helix	trans	-77.3	-34.8	-176.4	77.2	0	0	0	0	112	P851 V854 M884 D885	P851-V889 HydrophobicContact CB-CG2 4.01Å; V854-V889 HydrophobicContact CB-CG2 3.99Å; V854-V889 HydrophobicContact CG1-CG1 4.18Å; V854-V889 HydrophobicContact CG1-CG2 3.88Å; M884-V889 HydrophobicContact SD-CG2 4.02Å; D885-V889 PolarHBondContact O-N 3.29Å
890	C	92	Very high	89.4	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.041	31%	0.305	C	S	.	.	S	Bend	trans	-92.5	135.8	-176.3	-69.2	0	0	0	0	113	D855 L858 L886 T894 L895	D855-C890 WeakPolarHBondContact OD1-CA 3.45Å; L858-C890 VanDerWaalsContact CD1-SG 3.6Å; L886-C890 VanDerWaalsContact O-CB 3.28Å; L886-C890 WeakPolarHBondContact O-CB 3.46Å; L886-C890 PolarHBondContact O-N 2.98Å; L886-C890 VanDerWaalsContact O-N 3.13Å; C890-T894 HydrophobicContact CB-CG2 3.97Å; C890-L895 HydrophobicContact CB-CD2 3.6Å; C890-L895 HydrophobicContact CB-CG 3.79Å
891	I	90.7	Very high	89.8	Confident	89 Å²	89	55.3 Å²	55.3	46%	0.456	28%	0.283	S	S	.	.			trans	-75.9	159.8	172.3	63.1	166.1	0	0	0	111.3	D855 R859 P893 T894 L895	D855-I891 PolarHBondContact OD1-N 3.35Å; R859-I891 VanDerWaalsContact NH2-CD1 3.3Å; R859-I891 VanDerWaalsContact NH2-CG1 3.34Å; I891-P893 VanDerWaalsContact C-N 3.35Å; I891-P893 HydrophobicContact CD1-CG 4.26Å; I891-P893 VanDerWaalsContact O-N 3.16Å; I891-T894 WeakPolarHBondContact O-CB 3.22Å; I891-T894 PolarHBondContact O-N 3.28Å; I891-L895 PolarHBondContact O-N 2.97Å
892	Q	87.6	Confident	90	Very high	73 Å²	73	50.7 Å²	50.7	34%	0.341	25%	0.253	S	S	.	.	H	α-helix	trans	-51.1	-42	-174.1	-172.2	73.3	-2.2	0	0	114.5	T894 L895 Q896 F923	Q892-T894 PolarHBondContact O-N 3.23Å; Q892-L895 PolarHBondContact O-N 3.34Å; Q892-Q896 WeakPolarHBondContact O-CG 3.49Å; Q892-Q896 PolarHBondContact O-N 3.43Å; Q892-F923 VanDerWaalsContact NE2-CZ 3.33Å
893	P	88.8	Confident	89.9	Confident	63 Å²	63	54.3 Å²	54.3	41%	0.409	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-39.7	173.4	-25.8	34.7	0	0	0	114.4	I891 Q896 V897	I891-P893 VanDerWaalsContact C-N 3.35Å; I891-P893 HydrophobicContact CD1-CG 4.26Å; I891-P893 VanDerWaalsContact O-N 3.16Å; P893-Q896 PolarHBondContact O-N 3.28Å; P893-V897 WeakPolarHBondContact O-CG2 3.45Å; P893-V897 PolarHBondContact O-N 3.41Å; P893-V897 VanDerWaalsContact O-N 3.15Å
894	T	91.9	Very high	89.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-42.9	176.3	-56.5	0	0	0	0	110.9	D855 R859 C890 I891 Q892 Q896 V897 L898	D855-T894 WeakPolarHBondContact OD1-CB 3.31Å; D855-T894 WeakPolarHBondContact OD1-CG2 3.3Å; D855-T894 PolarHBondContact OD1-OG1 3.36Å; D855-T894 PolarHBondContact OD2-OG1 3.03Å; R859-T894 HydrophobicContact CB-CG2 3.86Å; R859-T894 HydrophobicContact CG-CG2 4.48Å; R859-T894 VanDerWaalsContact CZ-OG1 3.24Å; R859-T894 PolarHBondContact NE-OG1 2.88Å; R859-T894 PolarHBondContact NH2-OG1 3.09Å; C890-T894 HydrophobicContact CB-CG2 3.97Å; I891-T894 WeakPolarHBondContact O-CB 3.22Å; I891-T894 PolarHBondContact O-N 3.28Å; Q892-T894 PolarHBondContact O-N 3.23Å; T894-Q896 VanDerWaalsContact C-N 3.25Å; T894-Q896 PolarHBondContact O-N 3.06Å; T894-V897 PolarHBondContact O-N 3.35Å; T894-V897 VanDerWaalsContact O-N 3.17Å; T894-L898 HydrophobicContact CG2-CD1 3.91Å; T894-L898 HydrophobicContact CG2-CG 4.22Å; T894-L898 WeakPolarHBondContact O-CB 3.06Å; T894-L898 WeakPolarHBondContact O-CG 3.2Å; T894-L898 PolarHBondContact O-N 2.9Å
895	L	91.8	Very high	89.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-35	177.4	-64.8	173.3	0	0	0	112	L887 C890 I891 Q892 L898 Y899 V919 F923	L887-L895 HydrophobicContact CD2-CD1 4.1Å; L887-L895 HydrophobicContact CD2-CD2 4.21Å; C890-L895 HydrophobicContact CB-CD2 3.6Å; C890-L895 HydrophobicContact CB-CG 3.79Å; I891-L895 PolarHBondContact O-N 2.97Å; Q892-L895 PolarHBondContact O-N 3.34Å; L895-L898 HydrophobicContact CD2-CD1 4.43Å; L895-Y899 VanDerWaalsContact O-CB 3.29Å; L895-Y899 WeakPolarHBondContact O-CB 3.45Å; L895-Y899 PolarHBondContact O-N 3.41Å; L895-V919 HydrophobicContact CB-CG1 4.5Å; L895-V919 HydrophobicContact CD2-CG1 4.15Å; L895-V919 HydrophobicContact CD2-CG2 4.02Å; L895-F923 HydrophobicContact CB-CE2 3.61Å; L895-F923 HydrophobicContact CB-CZ 4.15Å
896	Q	88.8	Confident	88.2	Confident	102 Å²	102	58.3 Å²	58.3	48%	0.477	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-46	172.9	-77.6	175	-25.2	0	0	112.4	Q892 P893 T894 Y899 H900 F923	Q892-Q896 WeakPolarHBondContact O-CG 3.49Å; Q892-Q896 PolarHBondContact O-N 3.43Å; P893-Q896 PolarHBondContact O-N 3.28Å; T894-Q896 VanDerWaalsContact C-N 3.25Å; T894-Q896 PolarHBondContact O-N 3.06Å; Q896-Y899 PolarHBondContact O-N 2.96Å; Q896-H900 WeakPolarHBondContact O-CB 3.45Å; Q896-H900 PolarHBondContact O-N 2.88Å; Q896-F923 HydrophobicContact CB-CE1 4.38Å; Q896-F923 HydrophobicContact CB-CZ 4.32Å; Q896-F923 HydrophobicContact CG-CD1 4.29Å; Q896-F923 HydrophobicContact CG-CE1 3.27Å; Q896-F923 HydrophobicContact CG-CE2 4.49Å; Q896-F923 HydrophobicContact CG-CZ 3.4Å
897	V	89.8	Confident	87.5	Confident	34 Å²	34	65.6 Å²	65.6	21%	0.206	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-43.8	177.9	173	0	0	0	0	110.9	A862 L863 P893 T894 H900 R901	A862-V897 HydrophobicContact CB-CG1 3.85Å; L863-V897 HydrophobicContact CD2-CG1 3.64Å; L863-V897 HydrophobicContact CG-CG1 3.75Å; P893-V897 WeakPolarHBondContact O-CG2 3.45Å; P893-V897 PolarHBondContact O-N 3.41Å; P893-V897 VanDerWaalsContact O-N 3.15Å; T894-V897 PolarHBondContact O-N 3.35Å; T894-V897 VanDerWaalsContact O-N 3.17Å; V897-H900 PolarHBondContact O-N 2.98Å; V897-R901 WeakPolarHBondContact O-CB 3.35Å; V897-R901 PolarHBondContact O-N 3.28Å
898	L	90.8	Very high	87	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-50.7	173.9	-73.9	169.7	0	0	0	111	L858 A862 F870 T894 L895 H900 R901 L902	L858-L898 HydrophobicContact CB-CD2 4.5Å; A862-L898 HydrophobicContact CB-CD2 3.78Å; A862-L898 HydrophobicContact CB-CG 4.42Å; F870-L898 HydrophobicContact CE2-CD2 3.41Å; F870-L898 VanDerWaalsContact CE2-CD2 3.41Å; F870-L898 HydrophobicContact CZ-CD2 3.65Å; T894-L898 HydrophobicContact CG2-CD1 3.91Å; T894-L898 HydrophobicContact CG2-CG 4.22Å; T894-L898 WeakPolarHBondContact O-CB 3.06Å; T894-L898 WeakPolarHBondContact O-CG 3.2Å; T894-L898 PolarHBondContact O-N 2.9Å; L895-L898 HydrophobicContact CD2-CD1 4.43Å; L898-H900 VanDerWaalsContact C-N 3.32Å; L898-H900 PolarHBondContact O-N 3.39Å; L898-R901 PolarHBondContact O-N 3.08Å; L898-L902 WeakPolarHBondContact O-CB 3.35Å; L898-L902 WeakPolarHBondContact O-CD1 3.19Å; L898-L902 WeakPolarHBondContact O-CG 3.37Å; L898-L902 PolarHBondContact O-N 3.03Å
899	Y	90.7	Very high	86.9	Confident	32 Å²	32	58.9 Å²	58.9	13%	0.125	30%	0.298	C	S	.	.	H	α-helix	trans	-56.1	-47.2	178	174.5	-96.7	0	0	0	111.6	L895 Q896 L902 E903 V920 F923	L895-Y899 VanDerWaalsContact O-CB 3.29Å; L895-Y899 WeakPolarHBondContact O-CB 3.45Å; L895-Y899 PolarHBondContact O-N 3.41Å; Q896-Y899 PolarHBondContact O-N 2.96Å; Y899-L902 PolarHBondContact O-N 2.96Å; Y899-E903 WeakPolarHBondContact CE1-OE2 3.5Å; Y899-E903 WeakPolarHBondContact O-CB 3.44Å; Y899-E903 PolarHBondContact O-N 2.84Å; Y899-E903 PolarHBondContact OH-OE1 3.42Å; Y899-V920 HydrophobicContact CE2-CG1 4.24Å; Y899-F923 HydrophobicContact CD1-CB 3.96Å; Y899-F923 HydrophobicContact CD1-CG 4.34Å; Y899-F923 HydrophobicContact CD2-CB 3.45Å; Y899-F923 VanDerWaalsContact CD2-CB 3.45Å; Y899-F923 HydrophobicContact CD2-CG 4.22Å; Y899-F923 HydrophobicContact CE1-CB 4.23Å; Y899-F923 HydrophobicContact CE2-CB 3.7Å; Y899-F923 HydrophobicContact CG-CB 3.58Å; Y899-F923 HydrophobicContact CG-CD2 4.31Å; Y899-F923 AromaticContact CG-CG 3.94Å; Y899-F923 HydrophobicContact CG-CG 3.94Å
900	H	87.1	Confident	86.6	Confident	116 Å²	116	64 Å²	64	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-42.8	179.9	-169.4	58	0	0	0	112.2	Q896 V897 L898 L902 E903 V904	Q896-H900 WeakPolarHBondContact O-CB 3.45Å; Q896-H900 PolarHBondContact O-N 2.88Å; V897-H900 PolarHBondContact O-N 2.98Å; L898-H900 VanDerWaalsContact C-N 3.32Å; L898-H900 PolarHBondContact O-N 3.39Å; H900-L902 VanDerWaalsContact C-N 3.32Å; H900-L902 PolarHBondContact O-N 3.5Å; H900-E903 PolarHBondContact O-N 2.89Å; H900-V904 WeakPolarHBondContact O-CG2 3.33Å; H900-V904 PolarHBondContact O-N 3.02Å; H900-V904 VanDerWaalsContact O-N 3.09Å
901	R	88.2	Confident	86.5	Confident	55 Å²	55	67.1 Å²	67.1	21%	0.208	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-41.2	175.8	-177.5	61.3	-177.9	-171.4	1.8	111.8	A862 D867 F870 V897 L898 V904 S905	A862-R901 HydrophobicContact CB-CB 4.29Å; A862-R901 WeakPolarHBondContact O-CD 3.47Å; A862-R901 WeakPolarHBondContact O-CG 3.32Å; D867-R901 IonicContact OD1-CZ 3.87Å; D867-R901 IonicContact OD1-NE 3.97Å; D867-R901 PolarHBondContact OD1-NE 3.31Å; D867-R901 IonicContact OD1-NH2 2.82Å; D867-R901 PolarHBondContact OD1-NH2 3.09Å; D867-R901 IonicContact OD2-NH2 3.22Å; F870-R901 HydrophobicContact CD1-CG 4.13Å; F870-R901 HydrophobicContact CE1-CB 4.47Å; F870-R901 HydrophobicContact CE1-CG 3.71Å; F870-R901 HydrophobicContact CZ-CG 4.21Å; V897-R901 WeakPolarHBondContact O-CB 3.35Å; V897-R901 PolarHBondContact O-N 3.28Å; L898-R901 PolarHBondContact O-N 3.08Å; R901-V904 PolarHBondContact O-N 3.3Å; R901-S905 WeakPolarHBondContact O-CB 3.18Å; R901-S905 PolarHBondContact O-N 3.34Å; R901-S905 PolarHBondContact O-OG 3.4Å
902	L	88	Confident	86.5	Confident	9 Å²	9	63 Å²	63	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-38.1	177.1	-66.8	166.2	0	0	0	111.8	F870 L898 Y899 H900 V904 S905 L908 I912 T916 V920	F870-L902 HydrophobicContact CE1-CD2 4.18Å; F870-L902 HydrophobicContact CZ-CD2 4.38Å; L898-L902 WeakPolarHBondContact O-CB 3.35Å; L898-L902 WeakPolarHBondContact O-CD1 3.19Å; L898-L902 WeakPolarHBondContact O-CG 3.37Å; L898-L902 PolarHBondContact O-N 3.03Å; Y899-L902 PolarHBondContact O-N 2.96Å; H900-L902 VanDerWaalsContact C-N 3.32Å; H900-L902 PolarHBondContact O-N 3.5Å; L902-V904 VanDerWaalsContact C-N 3.32Å; L902-V904 PolarHBondContact O-N 2.66Å; L902-S905 PolarHBondContact O-N 3.44Å; L902-L908 HydrophobicContact CB-CD1 4.38Å; L902-L908 HydrophobicContact CD2-CD1 4.1Å; L902-L908 HydrophobicContact CD2-CD2 3.57Å; L902-I912 HydrophobicContact CD2-CG2 4.37Å; L902-T916 HydrophobicContact CD1-CG2 3.79Å; L902-T916 HydrophobicContact CD2-CG2 4.08Å; L902-V920 HydrophobicContact CD1-CG2 4.48Å
903	E	84.8	Confident	86.5	Confident	98 Å²	98	63 Å²	63	46%	0.458	32%	0.318	S	S	.	.	H	α-helix	trans	-66.2	-33.3	177.7	-165.5	175.1	-141.9	0	0	111.9	Y899 H900 K927	Y899-E903 WeakPolarHBondContact CE1-OE2 3.5Å; Y899-E903 WeakPolarHBondContact O-CB 3.44Å; Y899-E903 PolarHBondContact O-N 2.84Å; Y899-E903 PolarHBondContact OH-OE1 3.42Å; H900-E903 PolarHBondContact O-N 2.89Å; E903-K927 IonicContact OE1-NZ 3.52Å; E903-K927 PolarHBondContact OE1-NZ 3.35Å; E903-K927 IonicContact OE2-NZ 3.81Å
904	V	83.1	Confident	86.5	Confident	91 Å²	91	65.8 Å²	65.8	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-85.3	-23.5	178.6	179.4	0	0	0	0	112.8	H900 R901 L902 K906	H900-V904 WeakPolarHBondContact O-CG2 3.33Å; H900-V904 PolarHBondContact O-N 3.02Å; H900-V904 VanDerWaalsContact O-N 3.09Å; R901-V904 PolarHBondContact O-N 3.3Å; L902-V904 VanDerWaalsContact C-N 3.32Å; L902-V904 PolarHBondContact O-N 2.66Å; V904-K906 PolarHBondContact O-N 2.73Å
905	S	80.5	Confident	86.3	Confident	19 Å²	19	67 Å²	67	13%	0.133	34%	0.336	C	S	.	.			trans	-69.9	113.3	-177.8	-66	0	0	0	0	111.4	R901 L902	R901-S905 WeakPolarHBondContact O-CB 3.18Å; R901-S905 PolarHBondContact O-N 3.34Å; R901-S905 PolarHBondContact O-OG 3.4Å; L902-S905 PolarHBondContact O-N 3.44Å
906	K	71.4	Confident	86.3	Confident	191 Å²	191	67.2 Å²	67.2	83%	0.83	34%	0.337	S	S	*	.	S	Bend	trans	-79.3	131.6	171.9	-63	-177.8	-179.2	-180	0	109.1	V904	V904-K906 PolarHBondContact O-N 2.73Å
907	N	77.2	Confident	86.3	Confident	159 Å²	159	66.9 Å²	66.9	85%	0.85	34%	0.335	S	S	*	.	S	Bend	trans	64.6	58.5	177.3	-54.2	-23.9	0	0	0	115
908	L	82.5	Confident	86.3	Confident	37 Å²	37	67.6 Å²	67.6	19%	0.194	34%	0.34	C	S	.	.			trans	-60.4	131.5	170.3	-77.8	155.3	0	0	0	111	Y871 L902 I912 L913	Y871-L908 HydrophobicContact CE1-CD2 3.72Å; L902-L908 HydrophobicContact CB-CD1 4.38Å; L902-L908 HydrophobicContact CD2-CD1 4.1Å; L902-L908 HydrophobicContact CD2-CD2 3.57Å; L908-I912 HydrophobicContact CD2-CG2 3.88Å; L908-L913 HydrophobicContact CB-CD1 4.43Å
909	P	87.4	Confident	86.3	Confident	39 Å²	39	67.5 Å²	67.5	25%	0.253	34%	0.34	S	S	.	.			trans	-56.7	142.8	171.5	-25.6	35.3	0	0	0	111.8	Y871 D911 I912 L913	Y871-P909 HydrophobicContact CD2-CG 4.07Å; Y871-P909 HydrophobicContact CE2-CG 4.23Å; P909-D911 WeakPolarHBondContact CB-OD1 3.45Å; P909-D911 PolarHBondContact O-N 3.49Å; P909-I912 HydrophobicContact CB-CB 4.48Å; P909-I912 HydrophobicContact CB-CG1 4.04Å; P909-I912 HydrophobicContact CG-CG1 4.2Å; P909-I912 WeakPolarHBondContact O-CB 3.37Å; P909-I912 PolarHBondContact O-N 2.92Å; P909-L913 PolarHBondContact O-N 3.41Å
910	E	86.2	Confident	86.2	Confident	127 Å²	127	68.7 Å²	68.7	59%	0.593	35%	0.351	S	S	*	.	H	α-helix	trans	-55.5	-38.4	-173.6	-168.2	64.9	-156.1	0	0	112.9	L913 Q914	E910-L913 PolarHBondContact O-N 2.91Å; E910-Q914 WeakPolarHBondContact O-CG 3.47Å; E910-Q914 PolarHBondContact O-N 3.05Å
911	D	89.6	Confident	86.3	Confident	72 Å²	72	68.6 Å²	68.6	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-68.1	-36.7	178.4	64.8	-40.6	0	0	0	112.7	R875 P909 A915	R875-D911 IonicContact CZ-OD1 3.38Å; R875-D911 IonicContact CZ-OD2 3.56Å; R875-D911 IonicContact NE-OD1 2.67Å; R875-D911 IonicContact NE-OD2 3.22Å; R875-D911 PolarHBondContact NE-OD2 3.06Å; R875-D911 IonicContact NH2-OD1 3.22Å; R875-D911 PolarHBondContact NH2-OD1 2.97Å; R875-D911 IonicContact NH2-OD2 2.86Å; R875-D911 PolarHBondContact NH2-OD2 3.5Å; P909-D911 WeakPolarHBondContact CB-OD1 3.45Å; P909-D911 PolarHBondContact O-N 3.49Å; D911-A915 VanDerWaalsContact O-CB 3.3Å; D911-A915 WeakPolarHBondContact O-CB 3.49Å; D911-A915 PolarHBondContact O-N 3.47Å
912	I	90.6	Very high	86.3	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-70.1	-39.9	173.4	-56.9	-60.7	0	0	0	110.4	Y871 I874 R875 L902 L908 P909 A915 T916	Y871-I912 HydrophobicContact CD1-CG1 4.22Å; Y871-I912 HydrophobicContact CD1-CG2 4.11Å; Y871-I912 HydrophobicContact CE1-CG2 4.49Å; Y871-I912 HydrophobicContact CG-CD1 4.45Å; Y871-I912 HydrophobicContact CG-CG1 4.13Å; Y871-I912 WeakPolarHBondContact O-CD1 3.11Å; I874-I912 HydrophobicContact CB-CD1 4.14Å; I874-I912 HydrophobicContact CD1-CG2 4.26Å; I874-I912 HydrophobicContact CG2-CD1 3.96Å; R875-I912 HydrophobicContact CG-CD1 3.77Å; L902-I912 HydrophobicContact CD2-CG2 4.37Å; L908-I912 HydrophobicContact CD2-CG2 3.88Å; P909-I912 HydrophobicContact CB-CB 4.48Å; P909-I912 HydrophobicContact CB-CG1 4.04Å; P909-I912 HydrophobicContact CG-CG1 4.2Å; P909-I912 WeakPolarHBondContact O-CB 3.37Å; P909-I912 PolarHBondContact O-N 2.92Å; I912-A915 PolarHBondContact O-N 3.41Å; I912-T916 HydrophobicContact CG2-CG2 4.15Å; I912-T916 WeakPolarHBondContact O-CB 3.3Å; I912-T916 WeakPolarHBondContact O-CG2 3.47Å; I912-T916 PolarHBondContact O-N 2.79Å; I912-T916 PolarHBondContact O-OG1 3.3Å
913	L	87.1	Confident	86.2	Confident	74 Å²	74	70 Å²	70	39%	0.387	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-46.5	178.3	-168.1	126.9	0	0	0	110.9	L908 P909 E910 T916 Q917	L908-L913 HydrophobicContact CB-CD1 4.43Å; P909-L913 PolarHBondContact O-N 3.41Å; E910-L913 PolarHBondContact O-N 2.91Å; L913-T916 PolarHBondContact O-N 3.24Å; L913-Q917 WeakPolarHBondContact O-CB 3.43Å; L913-Q917 PolarHBondContact O-N 3.05Å
914	Q	88.8	Confident	86.1	Confident	121 Å²	121	68 Å²	68	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-46.1	174.5	-71.9	179	8.3	0	0	112.2	E910 T916	E910-Q914 WeakPolarHBondContact O-CG 3.47Å; E910-Q914 PolarHBondContact O-N 3.05Å; Q914-T916 VanDerWaalsContact C-N 3.28Å; Q914-T916 PolarHBondContact O-N 2.92Å
915	A	88.5	Confident	85.9	Confident	27 Å²	27	66.1 Å²	66.1	22%	0.223	35%	0.348	C	S	.	.	H	α-helix	trans	-64.6	-30.2	-179.7	0	0	0	0	0	113.6	I874 V878 D911 I912	I874-A915 HydrophobicContact CG2-CB 4.24Å; V878-A915 HydrophobicContact CG1-CB 4.31Å; V878-A915 HydrophobicContact CG2-CB 3.95Å; D911-A915 VanDerWaalsContact O-CB 3.3Å; D911-A915 WeakPolarHBondContact O-CB 3.49Å; D911-A915 PolarHBondContact O-N 3.47Å; I912-A915 PolarHBondContact O-N 3.41Å
916	T	90.4	Very high	85.7	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-102.3	-5.6	-175.2	60.4	0	0	0	0	113.9	I874 L886 L902 I912 L913 Q914 P918 V919 V920	I874-T916 HydrophobicContact CD1-CG2 4.03Å; I874-T916 HydrophobicContact CG2-CG2 4.31Å; L886-T916 HydrophobicContact CD1-CG2 3.98Å; L902-T916 HydrophobicContact CD1-CG2 3.79Å; L902-T916 HydrophobicContact CD2-CG2 4.08Å; I912-T916 HydrophobicContact CG2-CG2 4.15Å; I912-T916 WeakPolarHBondContact O-CB 3.3Å; I912-T916 WeakPolarHBondContact O-CG2 3.47Å; I912-T916 PolarHBondContact O-N 2.79Å; I912-T916 PolarHBondContact O-OG1 3.3Å; L913-T916 PolarHBondContact O-N 3.24Å; Q914-T916 VanDerWaalsContact C-N 3.28Å; Q914-T916 PolarHBondContact O-N 2.92Å; T916-P918 VanDerWaalsContact C-N 3.32Å; T916-V919 WeakPolarHBondContact O-CA 3.46Å; T916-V919 WeakPolarHBondContact O-CB 3.34Å; T916-V919 PolarHBondContact O-N 2.97Å; T916-V920 PolarHBondContact O-N 3.06Å; T916-V920 VanDerWaalsContact O-N 3.16Å
917	Q	90.3	Very high	85.8	Confident	95 Å²	95	65.5 Å²	65.5	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-50.9	-40.6	178.8	-165.8	167.1	7.3	0	0	114	L913 V919 V920 Q921	L913-Q917 WeakPolarHBondContact O-CB 3.43Å; L913-Q917 PolarHBondContact O-N 3.05Å; Q917-V919 VanDerWaalsContact C-N 3.3Å; Q917-V919 PolarHBondContact O-N 3.39Å; Q917-V920 PolarHBondContact O-N 3.31Å; Q917-Q921 HydrophobicContact CG-CG 4.47Å; Q917-Q921 WeakPolarHBondContact O-CB 3.32Å; Q917-Q921 WeakPolarHBondContact O-CG 3.45Å; Q917-Q921 PolarHBondContact O-N 3.45Å
918	P	89.7	Confident	85.7	Confident	49 Å²	49	60.2 Å²	60.2	32%	0.318	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-34.3	175.8	-23.1	35	0	0	0	113.5	L887 T916 K922	L887-P918 HydrophobicContact CD1-CB 3.53Å; L887-P918 HydrophobicContact CG-CB 4.04Å; T916-P918 VanDerWaalsContact C-N 3.32Å; P918-K922 WeakPolarHBondContact O-CB 3.34Å; P918-K922 PolarHBondContact O-N 3.43Å; P918-K922 VanDerWaalsContact O-N 3.09Å
919	V	89.2	Confident	85.1	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-69	-45.2	177.3	-176.2	0	0	0	0	110.2	L886 L887 L895 T916 Q917 K922 F923	L886-V919 HydrophobicContact CB-CG2 4.05Å; L886-V919 HydrophobicContact CD1-CG2 4.42Å; L887-V919 HydrophobicContact CD2-CG2 4.11Å; L895-V919 HydrophobicContact CB-CG1 4.5Å; L895-V919 HydrophobicContact CD2-CG1 4.15Å; L895-V919 HydrophobicContact CD2-CG2 4.02Å; T916-V919 WeakPolarHBondContact O-CA 3.46Å; T916-V919 WeakPolarHBondContact O-CB 3.34Å; T916-V919 PolarHBondContact O-N 2.97Å; Q917-V919 VanDerWaalsContact C-N 3.3Å; Q917-V919 PolarHBondContact O-N 3.39Å; V919-K922 PolarHBondContact O-N 2.99Å; V919-F923 HydrophobicContact CG1-CD2 4.41Å; V919-F923 PolarHBondContact O-N 3Å
920	V	88.7	Confident	84	Confident	58 Å²	58	68.3 Å²	68.3	35%	0.352	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-42.7	177.7	179.3	0	0	0	0	111.4	Y899 L902 T916 Q917 F923 S924	Y899-V920 HydrophobicContact CE2-CG1 4.24Å; L902-V920 HydrophobicContact CD1-CG2 4.48Å; T916-V920 PolarHBondContact O-N 3.06Å; T916-V920 VanDerWaalsContact O-N 3.16Å; Q917-V920 PolarHBondContact O-N 3.31Å; V920-F923 PolarHBondContact O-N 3.36Å; V920-S924 WeakPolarHBondContact O-CB 3.3Å; V920-S924 PolarHBondContact O-N 3.37Å; V920-S924 PolarHBondContact O-OG 3.41Å
921	Q	89.4	Confident	82.8	Confident	113 Å²	113	66.9 Å²	66.9	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-42.6	176.5	-74.4	176.4	-4	0	0	112.4	Q917 F923 S924 A925	Q917-Q921 HydrophobicContact CG-CG 4.47Å; Q917-Q921 WeakPolarHBondContact O-CB 3.32Å; Q917-Q921 WeakPolarHBondContact O-CG 3.45Å; Q917-Q921 PolarHBondContact O-N 3.45Å; Q921-F923 PolarHBondContact O-N 3.03Å; Q921-S924 WeakPolarHBondContact CA-OG 3.26Å; Q921-S924 PolarHBondContact O-OG 3.05Å; Q921-S924 VanDerWaalsContact O-OG 3.04Å; Q921-A925 WeakPolarHBondContact O-CB 3.35Å; Q921-A925 PolarHBondContact O-N 3.25Å; Q921-A925 VanDerWaalsContact O-N 3.09Å
922	K	88.3	Confident	80.9	Confident	77 Å²	77	72.4 Å²	72.4	34%	0.335	40%	0.404	S	S	.	.	H	α-helix	trans	-60.8	-45	178.2	-175.2	179	-179	-171	0	112.1	L887 P918 V919 L926	L887-K922 HydrophobicContact CD2-CB 4.35Å; L887-K922 HydrophobicContact CD2-CD 3.65Å; P918-K922 WeakPolarHBondContact O-CB 3.34Å; P918-K922 PolarHBondContact O-N 3.43Å; P918-K922 VanDerWaalsContact O-N 3.09Å; V919-K922 PolarHBondContact O-N 2.99Å; K922-L926 WeakPolarHBondContact O-CG 3.34Å; K922-L926 PolarHBondContact O-N 2.97Å
923	F	85.7	Confident	80.4	Confident	18 Å²	18	76 Å²	76	8%	0.079	42%	0.424	C	S	.	.	H	α-helix	trans	-81.8	-32.5	-176.9	-83.7	-81	0	0	0	114.1	Q892 L895 Q896 Y899 V919 V920 Q921 A925 L926 K927	Q892-F923 VanDerWaalsContact NE2-CZ 3.33Å; L895-F923 HydrophobicContact CB-CE2 3.61Å; L895-F923 HydrophobicContact CB-CZ 4.15Å; Q896-F923 HydrophobicContact CB-CE1 4.38Å; Q896-F923 HydrophobicContact CB-CZ 4.32Å; Q896-F923 HydrophobicContact CG-CD1 4.29Å; Q896-F923 HydrophobicContact CG-CE1 3.27Å; Q896-F923 HydrophobicContact CG-CE2 4.49Å; Q896-F923 HydrophobicContact CG-CZ 3.4Å; Y899-F923 HydrophobicContact CD1-CB 3.96Å; Y899-F923 HydrophobicContact CD1-CG 4.34Å; Y899-F923 HydrophobicContact CD2-CB 3.45Å; Y899-F923 VanDerWaalsContact CD2-CB 3.45Å; Y899-F923 HydrophobicContact CD2-CG 4.22Å; Y899-F923 HydrophobicContact CE1-CB 4.23Å; Y899-F923 HydrophobicContact CE2-CB 3.7Å; Y899-F923 HydrophobicContact CG-CB 3.58Å; Y899-F923 HydrophobicContact CG-CD2 4.31Å; Y899-F923 AromaticContact CG-CG 3.94Å; Y899-F923 HydrophobicContact CG-CG 3.94Å; V919-F923 HydrophobicContact CG1-CD2 4.41Å; V919-F923 PolarHBondContact O-N 3Å; V920-F923 PolarHBondContact O-N 3.36Å; Q921-F923 PolarHBondContact O-N 3.03Å; F923-A925 VanDerWaalsContact C-N 3.32Å; F923-A925 PolarHBondContact O-N 3.46Å; F923-L926 HydrophobicContact CD1-CD1 4.06Å; F923-L926 HydrophobicContact CE1-CD1 4.01Å; F923-L926 PolarHBondContact O-N 3.26Å; F923-K927 WeakPolarHBondContact O-CB 3.25Å; F923-K927 PolarHBondContact O-N 3.4Å
924	S	82.5	Confident	80.1	Confident	54 Å²	54	76.1 Å²	76.1	38%	0.378	43%	0.426	S	S	.	.	H	α-helix	trans	-62	-40	169.9	52.9	0	0	0	0	111.7	V920 Q921 L926 K927 A928	V920-S924 WeakPolarHBondContact O-CB 3.3Å; V920-S924 PolarHBondContact O-N 3.37Å; V920-S924 PolarHBondContact O-OG 3.41Å; Q921-S924 WeakPolarHBondContact CA-OG 3.26Å; Q921-S924 PolarHBondContact O-OG 3.05Å; Q921-S924 VanDerWaalsContact O-OG 3.04Å; S924-L926 PolarHBondContact O-N 3.17Å; S924-K927 PolarHBondContact O-N 2.9Å; S924-A928 WeakPolarHBondContact O-CB 3.2Å; S924-A928 PolarHBondContact O-N 3.27Å
925	A	80.1	Confident	79.6	Confident	52 Å²	52	73.6 Å²	73.6	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-64.8	-36.7	173.7	0	0	0	0	0	113.2	Q921 F923 K929	Q921-A925 WeakPolarHBondContact O-CB 3.35Å; Q921-A925 PolarHBondContact O-N 3.25Å; Q921-A925 VanDerWaalsContact O-N 3.09Å; F923-A925 VanDerWaalsContact C-N 3.32Å; F923-A925 PolarHBondContact O-N 3.46Å; A925-K929 WeakPolarHBondContact O-CG 3.38Å; A925-K929 PolarHBondContact O-N 3.19Å
926	L	75.4	Confident	79.1	Confident	77 Å²	77	76.4 Å²	76.4	40%	0.403	43%	0.43	S	S	.	.	H	α-helix	trans	-69.3	-39.8	174.2	-74	167.9	0	0	0	112	K922 F923 S924 K929 A930	K922-L926 WeakPolarHBondContact O-CG 3.34Å; K922-L926 PolarHBondContact O-N 2.97Å; F923-L926 HydrophobicContact CD1-CD1 4.06Å; F923-L926 HydrophobicContact CE1-CD1 4.01Å; F923-L926 PolarHBondContact O-N 3.26Å; S924-L926 PolarHBondContact O-N 3.17Å; L926-K929 PolarHBondContact O-N 3.07Å; L926-A930 PolarHBondContact O-N 3.3Å
927	K	74.7	Confident	78.4	Confident	121 Å²	121	80.9 Å²	80.9	53%	0.526	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-42.9	176.1	-146.3	173.1	-175.3	177.7	0	110.3	E903 F923 S924 K929 A930 S931	E903-K927 IonicContact OE1-NZ 3.52Å; E903-K927 PolarHBondContact OE1-NZ 3.35Å; E903-K927 IonicContact OE2-NZ 3.81Å; F923-K927 WeakPolarHBondContact O-CB 3.25Å; F923-K927 PolarHBondContact O-N 3.4Å; S924-K927 PolarHBondContact O-N 2.9Å; K927-K929 PolarHBondContact O-N 3.42Å; K927-A930 PolarHBondContact O-N 2.62Å; K927-S931 PolarHBondContact O-N 3.2Å; K927-S931 PolarHBondContact O-OG 3.19Å
928	A	74.5	Confident	77.6	Confident	47 Å²	47	79.9 Å²	79.9	39%	0.388	46%	0.456	S	S	.	.	H	α-helix	trans	-63.7	-36.9	174.4	0	0	0	0	0	113.3	S924 A930 S931 N932	S924-A928 WeakPolarHBondContact O-CB 3.2Å; S924-A928 PolarHBondContact O-N 3.27Å; A928-A930 VanDerWaalsContact C-N 3.33Å; A928-S931 WeakPolarHBondContact CA-OG 3.46Å; A928-S931 PolarHBondContact O-OG 2.65Å; A928-N932 PolarHBondContact O-N 3.16Å
929	K	70	Confident	76.7	Confident	161 Å²	161	82.1 Å²	82.1	70%	0.7	47%	0.466	S	S	*	.	H	α-helix	trans	-72.8	-21.4	174.2	-80.3	-175.9	179.5	-177.2	0	114.2	A925 L926 K927 N932	A925-K929 WeakPolarHBondContact O-CG 3.38Å; A925-K929 PolarHBondContact O-N 3.19Å; L926-K929 PolarHBondContact O-N 3.07Å; K927-K929 PolarHBondContact O-N 3.42Å; K929-N932 VanDerWaalsContact O-OXT 3.06Å
930	A	63.6	Low	75.7	Confident	86 Å²	86	88.4 Å²	88.4	71%	0.711	50%	0.501	S	S	*	.	H	α-helix	trans	-90.4	-22.5	176.6	0	0	0	0	0	112.5	L926 K927 A928	L926-A930 PolarHBondContact O-N 3.3Å; K927-A930 PolarHBondContact O-N 2.62Å; A928-A930 VanDerWaalsContact C-N 3.33Å
931	S	61.6	Low	74.6	Confident	97 Å²	97	90.9 Å²	90.9	68%	0.678	51%	0.513	S	S	*	.	H	α-helix	trans	-82.4	-20.6	171.6	53.4	0	0	0	0	113.7	K927 A928	K927-S931 PolarHBondContact O-N 3.2Å; K927-S931 PolarHBondContact O-OG 3.19Å; A928-S931 WeakPolarHBondContact CA-OG 3.46Å; A928-S931 PolarHBondContact O-OG 2.65Å
932	N	49.9	Very low	73.3	Confident	188 Å²	188	88.9 Å²	88.9	100%	1.005	51%	0.512	S	S	*	.			trans	-90.5	0	168.6	-71.8	-12.4	0	0	0	110.1	A928 K929	A928-N932 PolarHBondContact O-N 3.16Å; K929-N932 VanDerWaalsContact O-OXT 3.06Å

Retrieved 932 of 932 residues in 927.7 ms (Link to these results)

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