A0A077Z5T8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5T8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 896 aa.

						>A0A077Z5T8_TRITR|A0A077Z5T8
MQDAPGFTEKRRHSMGASLPDLSRISNESFDTLAITNVAQRPPGLEKQVETFKRQNLSLRVEIYYLKTRLREAGITSDCPDLRDYQLDPAALNGIPPVKNAEFGLTRQELEQLDITYKVRCAALQRELEQERCKSQAAINLRLKCQKLEQDKIALLSSLEELKKETSLLKNALAAMNESSEIDNGAISNGSNSSKDNKDAELLPTECRKCRRYERVLAAIRKKFAGKQEMRQDDNRANHSEHDESDLNAVDDTVRRWLQKSLCAQEDREAFKKKFLCIYSANSQLCKRMQESASVLKEICAKLADTGVDISDLTELHLLKDEIISKLNATGSLITALENSVSLAMPTNDDEVPRLQEYLVHMQTLLEQRDSHIETLKKTIENKTELIECLKRRLDEVEAANFIDVPQPTNHCCNDAAVQCKTTFDAETFQWPAFVLSMFPGLDALTEQFIFFLDVLTDVIGGDCSEDDKERLILNLCEHFRENLLPYFQALGTGETSEVTQNNGSEKTEKENADSNLVSVSEAIVEDSLDKKRLCFSETAGATSLNRSLSLLKRSHQQCCLAPDVMFSLCKEIRTAFQLLNCIQKSQSAAEVKEHFHQLKMTIQLCVDVSRKLFSHMQSAGKEEMTIIEEVCSANITGGALFSAQLLQSNSHLEVEEMSLSRLCHPTDVASSSSPFMLNASAAGRIQHLLASNQKCSEQMEAAVDKMNQNNREMEMAILKRKKVSKELQLLRDRERRLIEENCKAKDKIVLLEKELAFLKRQANHNEVETLEARSKGAFMVNRPDSSAEVRNTVRKLSTTVSDGSEGILCVDNSSKPARSQPEVGKATEIQKQNAKLLAEVEFYKQELAKTKDELNLTLKSLQEEQETKTAAAREITEDIKRTADLFRKLKHKPKH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	40	Very low	238 Å²	238	155.2 Å²	155.2	100%	1.172	82%	0.821	S	S	*	*				0	139.2	0	-131.2	178.8	175.1	0	0	106.7
2	Q	34.7	Very low	40.2	Very low	186 Å²	186	153.9 Å²	153.9	87%	0.869	80%	0.797	S	S	*	*			trans	67.3	143.8	179.4	-65.2	176.9	-21.7	0	0	116.5
3	D	36.1	Very low	40.1	Very low	161 Å²	161	154.1 Å²	154.1	86%	0.861	79%	0.791	S	S	*	*			trans	-124.5	152	-158.4	-49.1	-100.8	0	0	0	110.8
4	A	37.6	Very low	40.2	Very low	99 Å²	99	150.7 Å²	150.7	82%	0.818	79%	0.788	S	S	*	*			trans	-151.5	146.7	158.2	0	0	0	0	0	110.4
5	P	40.3	Very low	40.1	Very low	137 Å²	137	152.5 Å²	152.5	89%	0.89	79%	0.794	S	S	*	*			trans	-107.2	158.5	-157.2	38.3	-31.6	0	0	0	115
6	G	41.1	Very low	40	Very low	76 Å²	76	146.9 Å²	146.9	78%	0.784	79%	0.785	S	S	*	*			trans	-176.1	13.1	176.6	0	0	0	0	0	118
7	F	32.5	Very low	40.1	Very low	168 Å²	168	144.5 Å²	144.5	74%	0.737	79%	0.79	S	S	*	*			trans	-85.3	128.1	178.6	-112.3	-82.9	0	0	0	111.6	R12	F7-R12 HydrophobicContact CE1-CG 4.39Å
8	T	52.3	Low	40.2	Very low	112 Å²	112	142.4 Å²	142.4	69%	0.687	79%	0.788	S	S	*	*			trans	-120.1	133.5	168.4	48.5	0	0	0	0	110.6	K10	T8-K10 PolarHBondContact O-N 3.12Å
9	E	43.9	Very low	40.3	Very low	118 Å²	118	143.5 Å²	143.5	55%	0.551	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-57.1	-28.9	-166.1	-136.9	72	-117.1	0	0	114.9	R11 R12 H13	E9-R11 VanDerWaalsContact C-N 3.27Å; E9-R11 PolarHBondContact O-N 3.14Å; E9-R11 VanDerWaalsContact O-N 3.15Å; E9-R12 PolarHBondContact O-N 3.02Å; E9-R12 IonicContact OE1-NH1 3.07Å; E9-R12 PolarHBondContact OE1-NH1 3.29Å; E9-H13 PolarHBondContact O-ND1 3.3Å
10	K	44.7	Very low	40.9	Very low	195 Å²	195	141.6 Å²	141.6	85%	0.848	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-67.6	-14.6	-167.9	-74.9	-172.6	173.4	-178	0	115.3	T8	T8-K10 PolarHBondContact O-N 3.12Å
11	R	41.3	Very low	41.2	Very low	217 Å²	217	140 Å²	140	82%	0.819	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-94.4	-12.8	175	-89.2	-173.4	174	172.7	-0.5	115.5	E9 H13	E9-R11 VanDerWaalsContact C-N 3.27Å; E9-R11 PolarHBondContact O-N 3.14Å; E9-R11 VanDerWaalsContact O-N 3.15Å; R11-H13 VanDerWaalsContact C-N 3.29Å; R11-H13 PolarHBondContact O-N 3.3Å
12	R	41.7	Very low	41.7	Very low	140 Å²	140	135.2 Å²	135.2	53%	0.528	75%	0.754	S	S	.	*	G	3₁₀ helix	trans	-69.7	-27.7	174.1	-71.6	-178.3	177.1	157.3	-5.1	112.7	F7 E9 S14	F7-R12 HydrophobicContact CE1-CG 4.39Å; E9-R12 PolarHBondContact O-N 3.02Å; E9-R12 IonicContact OE1-NH1 3.07Å; E9-R12 PolarHBondContact OE1-NH1 3.29Å; R12-S14 VanDerWaalsContact C-N 3.3Å; R12-S14 PolarHBondContact O-N 3.07Å
13	H	39.8	Very low	42.5	Very low	156 Å²	156	130.8 Å²	130.8	72%	0.722	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-80.7	-0.1	-174.6	-68.9	82.7	0	0	0	115.1	E9 R11	E9-H13 PolarHBondContact O-ND1 3.3Å; R11-H13 VanDerWaalsContact C-N 3.29Å; R11-H13 PolarHBondContact O-N 3.3Å
14	S	41.2	Very low	43.2	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-110.8	4.1	-178.4	-167.5	0	0	0	0	114.5	R12	R12-S14 VanDerWaalsContact C-N 3.3Å; R12-S14 PolarHBondContact O-N 3.07Å
15	M	38.9	Very low	43.5	Very low	177 Å²	177	134.8 Å²	134.8	87%	0.872	74%	0.735	S	S	*	*	S	Bend	trans	-123.3	24.2	173.5	-58.9	-165.1	-56.4	0	0	111.9
16	G	38.2	Very low	43.6	Very low	63 Å²	63	132.4 Å²	132.4	65%	0.649	72%	0.721	S	S	*	*			trans	-104.8	7.7	-174.3	0	0	0	0	0	115.5	S18	G16-S18 PolarHBondContact O-N 3.4Å
17	A	40.7	Very low	43.7	Very low	106 Å²	106	136.7 Å²	136.7	88%	0.876	73%	0.726	S	S	*	*			trans	-73.5	95.1	174	0	0	0	0	0	109.4
18	S	42.5	Very low	44.1	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-60.5	137.7	-174.1	51.7	0	0	0	0	113.2	G16	G16-S18 PolarHBondContact O-N 3.4Å
19	L	42.8	Very low	43.6	Very low	163 Å²	163	135.5 Å²	135.5	85%	0.853	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-52.5	140.4	159.7	-77.9	161.4	0	0	0	110	D21	L19-D21 PolarHBondContact O-N 3.27Å
20	P	51.2	Low	43.7	Very low	105 Å²	105	138.7 Å²	138.7	68%	0.682	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-60.3	131.3	172.8	-22.2	33.5	0	0	0	111	L22	P20-L22 PolarHBondContact O-N 3.44Å; P20-L22 VanDerWaalsContact O-N 3.11Å
21	D	47.8	Very low	43.9	Very low	110 Å²	110	135.4 Å²	135.4	59%	0.588	73%	0.727	S	S	*	*			trans	-72.8	101.6	173.8	-179.5	1.7	0	0	0	109.9	L19 S23	L19-D21 PolarHBondContact O-N 3.27Å; D21-S23 PolarHBondContact O-N 3.25Å; D21-S23 WeakPolarHBondContact OD1-CB 3.48Å; D21-S23 PolarHBondContact OD1-N 3.44Å; D21-S23 PolarHBondContact OD1-OG 2.81Å; D21-S23 PolarHBondContact OD2-OG 3.11Å; D21-S23 VanDerWaalsContact OD2-OG 3.12Å
22	L	46.7	Very low	44.2	Very low	136 Å²	136	129.8 Å²	129.8	71%	0.712	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-70.3	-5.9	-178.2	-64	176.1	0	0	0	113.6	P20 R24 I25	P20-L22 PolarHBondContact O-N 3.44Å; P20-L22 VanDerWaalsContact O-N 3.11Å; L22-R24 PolarHBondContact O-N 3.38Å; L22-R24 VanDerWaalsContact O-N 3.17Å; L22-I25 HydrophobicContact CD2-CD1 4.16Å
23	S	50.7	Low	44.4	Very low	94 Å²	94	128.5 Å²	128.5	66%	0.657	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-69.8	-7	-179.6	70.3	0	0	0	0	114.9	D21	D21-S23 PolarHBondContact O-N 3.25Å; D21-S23 WeakPolarHBondContact OD1-CB 3.48Å; D21-S23 PolarHBondContact OD1-N 3.44Å; D21-S23 PolarHBondContact OD1-OG 2.81Å; D21-S23 PolarHBondContact OD2-OG 3.11Å; D21-S23 VanDerWaalsContact OD2-OG 3.12Å
24	R	50.5	Low	44.9	Very low	210 Å²	210	123.9 Å²	123.9	79%	0.792	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-109.7	0.5	-172.6	-72.4	-171.1	170.3	-148.2	-3.6	116.6	L22 S26	L22-R24 PolarHBondContact O-N 3.38Å; L22-R24 VanDerWaalsContact O-N 3.17Å; R24-S26 VanDerWaalsContact C-N 3.31Å; R24-S26 PolarHBondContact O-N 2.95Å
25	I	44.3	Very low	45.3	Very low	134 Å²	134	125.4 Å²	125.4	69%	0.687	71%	0.708	S	S	*	*			trans	-80.7	82	179.8	-53.2	-177.8	0	0	0	109.6	L22	L22-I25 HydrophobicContact CD2-CD1 4.16Å
26	S	42.2	Very low	45.6	Very low	86 Å²	86	121.9 Å²	121.9	60%	0.601	70%	0.696	S	S	*	*			trans	-108.4	110	-177.4	163	0	0	0	0	111.5	R24 E28	R24-S26 VanDerWaalsContact C-N 3.31Å; R24-S26 PolarHBondContact O-N 2.95Å; S26-E28 VanDerWaalsContact C-N 3.31Å; S26-E28 PolarHBondContact O-N 3Å
27	N	43.5	Very low	46	Very low	166 Å²	166	124.5 Å²	124.5	89%	0.888	70%	0.695	S	S	*	*	S	Bend	trans	56.3	17.8	152.9	-63.7	-5.9	0	0	0	119.9
28	E	42.3	Very low	46.2	Very low	181 Å²	181	124.8 Å²	124.8	85%	0.846	69%	0.686	S	S	*	*			trans	-110.8	148.5	170.7	-66.5	-171.7	166.3	0	0	112.1	S26	S26-E28 VanDerWaalsContact C-N 3.31Å; S26-E28 PolarHBondContact O-N 3Å
29	S	41.2	Very low	46.3	Very low	75 Å²	75	124.1 Å²	124.1	52%	0.524	69%	0.687	S	S	.	*			trans	-56.7	131.1	-153.9	53.8	0	0	0	0	116.6	D31 T32	S29-D31 VanDerWaalsContact C-N 3.29Å; S29-D31 PolarHBondContact O-N 3.26Å; S29-T32 PolarHBondContact OG-OG1 3.38Å
30	F	45.8	Very low	46.5	Very low	185 Å²	185	124.9 Å²	124.9	81%	0.811	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-32.1	177.1	-108	-99.9	0	0	0	114.3	T32 L33 A34	F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.26Å; F30-L33 PolarHBondContact O-N 3.48Å; F30-A34 PolarHBondContact O-N 3Å
31	D	48.7	Very low	46.6	Very low	125 Å²	125	128.4 Å²	128.4	67%	0.668	69%	0.685	S	S	*	*	H	α-helix	trans	-62.8	-34.4	-169.4	-57	-54.7	0	0	0	113.3	S29 L33 A34	S29-D31 VanDerWaalsContact C-N 3.29Å; S29-D31 PolarHBondContact O-N 3.26Å; D31-L33 VanDerWaalsContact C-N 3.34Å; D31-L33 PolarHBondContact O-N 3.07Å; D31-A34 PolarHBondContact O-N 3.14Å
32	T	47.6	Very low	46.7	Very low	99 Å²	99	126.9 Å²	126.9	61%	0.607	68%	0.682	S	S	*	*	H	α-helix	trans	-71.2	-28.5	-177.3	-24.9	0	0	0	0	112.9	S29 F30	S29-T32 PolarHBondContact OG-OG1 3.38Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.26Å
33	L	45.8	Very low	46.9	Very low	114 Å²	114	127.1 Å²	127.1	60%	0.597	69%	0.691	S	S	*	*	H	α-helix	trans	-87.6	-18.4	179.3	-102.7	165.5	0	0	0	113.3	F30 D31 N37	F30-L33 PolarHBondContact O-N 3.48Å; D31-L33 VanDerWaalsContact C-N 3.34Å; D31-L33 PolarHBondContact O-N 3.07Å; L33-N37 PolarHBondContact O-ND2 3.41Å; L33-N37 VanDerWaalsContact O-ND2 3.15Å
34	A	49.6	Very low	47.7	Very low	59 Å²	59	124.6 Å²	124.6	49%	0.488	68%	0.681	S	S	.	*	H	α-helix	trans	-68.4	-34.1	174.4	0	0	0	0	0	112.1	F30 D31 V38	F30-A34 PolarHBondContact O-N 3Å; D31-A34 PolarHBondContact O-N 3.14Å; A34-V38 WeakPolarHBondContact O-CG2 3.4Å
35	I	50.2	Low	48.8	Very low	139 Å²	139	118.5 Å²	118.5	71%	0.713	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-30.9	-171.1	-64.3	171.5	0	0	0	112.7
36	T	45.2	Very low	50.3	Low	102 Å²	102	117.5 Å²	117.5	63%	0.626	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-16.7	-175.9	43.3	0	0	0	0	115
37	N	47	Very low	52	Low	119 Å²	119	121.2 Å²	121.2	64%	0.636	66%	0.661	S	S	*	*	S	Bend	trans	-97	-1.9	-179	-74.4	-65.4	0	0	0	114.9	L33 A39	L33-N37 PolarHBondContact O-ND2 3.41Å; L33-N37 VanDerWaalsContact O-ND2 3.15Å; N37-A39 PolarHBondContact O-N 3.31Å
38	V	45.3	Very low	53.6	Low	112 Å²	112	119 Å²	119	68%	0.679	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-68.7	-16.8	179.4	164.9	0	0	0	0	113.2	A34 Q40	A34-V38 WeakPolarHBondContact O-CG2 3.4Å; V38-Q40 PolarHBondContact O-N 2.9Å
39	A	45	Very low	55.4	Low	92 Å²	92	113.6 Å²	113.6	76%	0.76	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-75	-6.5	-169.3	0	0	0	0	0	116.8	N37	N37-A39 PolarHBondContact O-N 3.31Å
40	Q	45.8	Very low	57.2	Low	179 Å²	179	113.5 Å²	113.5	84%	0.836	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-139.1	63.5	-178.3	-66.5	-167.6	4	0	0	114.1	V38	V38-Q40 PolarHBondContact O-N 2.9Å
41	R	52.7	Low	58.9	Low	179 Å²	179	108.1 Å²	108.1	68%	0.675	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-76.4	127.7	158.2	-74.9	-170	179.4	171.3	4.9	109.8	E46	R41-E46 WeakPolarHBondContact CD-OE1 3.42Å; R41-E46 IonicContact CZ-OE1 2.66Å; R41-E46 IonicContact NE-OE1 3.71Å; R41-E46 IonicContact NH1-OE1 2.91Å; R41-E46 PolarHBondContact NH1-OE1 2.74Å
42	P	51.6	Low	60.5	Low	79 Å²	79	108.5 Å²	108.5	51%	0.513	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-62.7	126.3	175.1	-22.7	33.7	0	0	0	111.1	G44 L45	P42-G44 PolarHBondContact O-N 3.34Å; P42-G44 VanDerWaalsContact O-N 3.1Å; P42-L45 HydrophobicContact CB-CB 4.39Å; P42-L45 HydrophobicContact CG-CD1 4.4Å; P42-L45 WeakPolarHBondContact O-CB 3.48Å; P42-L45 PolarHBondContact O-N 3.25Å
43	P	49.6	Very low	62.3	Low	140 Å²	140	109.5 Å²	109.5	91%	0.909	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	117	-179.4	24.3	-33	0	0	0	110.1
44	G	68.1	Low	64	Low	42 Å²	42	112.5 Å²	112.5	43%	0.433	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	108	-12.4	-175.6	0	0	0	0	0	115.4	P42 E46 K47 Q48	P42-G44 PolarHBondContact O-N 3.34Å; P42-G44 VanDerWaalsContact O-N 3.1Å; G44-E46 VanDerWaalsContact C-N 3.32Å; G44-E46 PolarHBondContact O-N 3.37Å; G44-K47 WeakPolarHBondContact O-CB 3.41Å; G44-K47 PolarHBondContact O-N 2.85Å; G44-K47 VanDerWaalsContact O-N 3.09Å; G44-Q48 PolarHBondContact O-N 3.3Å
45	L	73.8	Confident	65.6	Low	81 Å²	81	114.5 Å²	114.5	42%	0.424	59%	0.592	S	S	.	*	H	α-helix	trans	-61.8	-41.1	176.7	-166.5	113.2	0	0	0	111.6	P42 K47 Q48 V49	P42-L45 HydrophobicContact CB-CB 4.39Å; P42-L45 HydrophobicContact CG-CD1 4.4Å; P42-L45 WeakPolarHBondContact O-CB 3.48Å; P42-L45 PolarHBondContact O-N 3.25Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 2.98Å; L45-Q48 WeakPolarHBondContact O-CB 3.27Å; L45-Q48 PolarHBondContact O-N 3.01Å; L45-Q48 VanDerWaalsContact O-N 3.14Å; L45-V49 HydrophobicContact CD2-CG2 4.48Å; L45-V49 WeakPolarHBondContact O-CG2 3.31Å; L45-V49 PolarHBondContact O-N 3.16Å
46	E	75.4	Confident	67.3	Low	114 Å²	114	111.9 Å²	111.9	53%	0.533	58%	0.58	S	S	.	*	H	α-helix	trans	-61	-36.8	174.5	-68.8	167.7	174.3	0	0	111.8	R41 G44 V49 E50	R41-E46 WeakPolarHBondContact CD-OE1 3.42Å; R41-E46 IonicContact CZ-OE1 2.66Å; R41-E46 IonicContact NE-OE1 3.71Å; R41-E46 IonicContact NH1-OE1 2.91Å; R41-E46 PolarHBondContact NH1-OE1 2.74Å; G44-E46 VanDerWaalsContact C-N 3.32Å; G44-E46 PolarHBondContact O-N 3.37Å; E46-V49 PolarHBondContact O-N 3.37Å; E46-E50 WeakPolarHBondContact O-CB 3.42Å; E46-E50 PolarHBondContact O-N 3.08Å
47	K	77.5	Confident	69.1	Low	163 Å²	163	112.3 Å²	112.3	71%	0.709	58%	0.578	S	S	*	*	H	α-helix	trans	-69.9	-33.5	175.7	-166.6	172.9	-175.7	173.6	0	112.3	G44 L45 T51	G44-K47 WeakPolarHBondContact O-CB 3.41Å; G44-K47 PolarHBondContact O-N 2.85Å; G44-K47 VanDerWaalsContact O-N 3.09Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 2.98Å; K47-T51 WeakPolarHBondContact O-CB 3.43Å; K47-T51 PolarHBondContact O-N 3.33Å; K47-T51 PolarHBondContact O-OG1 3.33Å
48	Q	76.8	Confident	70.7	Confident	120 Å²	120	110.2 Å²	110.2	56%	0.561	57%	0.572	S	S	*	*	H	α-helix	trans	-68.5	-47.8	170.2	-75.5	-173.5	-17.5	0	0	111.6	G44 L45 E50 T51 F52	G44-Q48 PolarHBondContact O-N 3.3Å; L45-Q48 WeakPolarHBondContact O-CB 3.27Å; L45-Q48 PolarHBondContact O-N 3.01Å; L45-Q48 VanDerWaalsContact O-N 3.14Å; Q48-E50 VanDerWaalsContact C-N 3.3Å; Q48-E50 PolarHBondContact O-N 2.91Å; Q48-T51 WeakPolarHBondContact O-CB 3.2Å; Q48-T51 PolarHBondContact O-N 3.26Å; Q48-T51 VanDerWaalsContact O-N 3.12Å; Q48-F52 HydrophobicContact CB-CE2 4.44Å; Q48-F52 WeakPolarHBondContact O-CD2 3.43Å; Q48-F52 PolarHBondContact O-N 2.82Å
49	V	80.3	Confident	72.5	Confident	68 Å²	68	109.4 Å²	109.4	41%	0.412	56%	0.564	S	S	.	*	H	α-helix	trans	-56.6	-44.5	176.3	169.3	0	0	0	0	110.9	L45 E46 T51 F52 K53	L45-V49 HydrophobicContact CD2-CG2 4.48Å; L45-V49 WeakPolarHBondContact O-CG2 3.31Å; L45-V49 PolarHBondContact O-N 3.16Å; E46-V49 PolarHBondContact O-N 3.37Å; V49-T51 PolarHBondContact O-N 3.05Å; V49-F52 PolarHBondContact O-N 3.22Å; V49-K53 WeakPolarHBondContact O-CG 3.48Å; V49-K53 PolarHBondContact O-N 3.46Å
50	E	79.9	Confident	74.2	Confident	73 Å²	73	113.1 Å²	113.1	34%	0.341	56%	0.558	S	S	.	*	H	α-helix	trans	-68.6	-33.7	178.2	-157.1	54.6	-130.1	0	0	112.6	E46 Q48 K53 R54	E46-E50 WeakPolarHBondContact O-CB 3.42Å; E46-E50 PolarHBondContact O-N 3.08Å; Q48-E50 VanDerWaalsContact C-N 3.3Å; Q48-E50 PolarHBondContact O-N 2.91Å; E50-K53 PolarHBondContact O-N 3.14Å; E50-K53 IonicContact OE1-NZ 3.32Å; E50-K53 WeakPolarHBondContact OE2-CD 3.48Å; E50-K53 WeakPolarHBondContact OE2-CE 3.42Å; E50-K53 IonicContact OE2-NZ 2.63Å; E50-K53 PolarHBondContact OE2-NZ 3.1Å; E50-R54 WeakPolarHBondContact O-CG 3.48Å; E50-R54 PolarHBondContact O-N 3.43Å; E50-R54 VanDerWaalsContact O-N 3.08Å
51	T	81.3	Confident	75.7	Confident	72 Å²	72	108.9 Å²	108.9	44%	0.442	54%	0.544	S	S	.	.	H	α-helix	trans	-64.1	-44.1	170.8	-57.4	0	0	0	0	111	K47 Q48 V49 R54 Q55	K47-T51 WeakPolarHBondContact O-CB 3.43Å; K47-T51 PolarHBondContact O-N 3.33Å; K47-T51 PolarHBondContact O-OG1 3.33Å; Q48-T51 WeakPolarHBondContact O-CB 3.2Å; Q48-T51 PolarHBondContact O-N 3.26Å; Q48-T51 VanDerWaalsContact O-N 3.12Å; V49-T51 PolarHBondContact O-N 3.05Å; T51-R54 PolarHBondContact O-N 3.25Å; T51-Q55 WeakPolarHBondContact O-CG 3.45Å; T51-Q55 PolarHBondContact O-N 3.48Å
52	F	82.3	Confident	77	Confident	133 Å²	133	105.5 Å²	105.5	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-65.9	-38.6	176.6	-74.8	-56.9	0	0	0	112.6	Q48 V49 Q55 N56	Q48-F52 HydrophobicContact CB-CE2 4.44Å; Q48-F52 WeakPolarHBondContact O-CD2 3.43Å; Q48-F52 PolarHBondContact O-N 2.82Å; V49-F52 PolarHBondContact O-N 3.22Å; F52-Q55 PolarHBondContact O-N 2.88Å; F52-N56 WeakPolarHBondContact O-CB 3.3Å; F52-N56 PolarHBondContact O-N 3.11Å
53	K	85.1	Confident	78.2	Confident	119 Å²	119	106.3 Å²	106.3	52%	0.517	54%	0.535	S	S	.	.	H	α-helix	trans	-57.8	-50.1	172.1	-73.3	-176.9	-162.8	161.5	0	111.3	V49 E50 Q55 N56 L57	V49-K53 WeakPolarHBondContact O-CG 3.48Å; V49-K53 PolarHBondContact O-N 3.46Å; E50-K53 PolarHBondContact O-N 3.14Å; E50-K53 IonicContact OE1-NZ 3.32Å; E50-K53 WeakPolarHBondContact OE2-CD 3.48Å; E50-K53 WeakPolarHBondContact OE2-CE 3.42Å; E50-K53 IonicContact OE2-NZ 2.63Å; E50-K53 PolarHBondContact OE2-NZ 3.1Å; K53-Q55 VanDerWaalsContact C-N 3.33Å; K53-Q55 PolarHBondContact O-N 3.21Å; K53-N56 PolarHBondContact O-N 2.96Å; K53-N56 VanDerWaalsContact O-N 3.16Å; K53-L57 PolarHBondContact O-N 2.96Å
54	R	81.4	Confident	79.5	Confident	178 Å²	178	107.9 Å²	107.9	67%	0.672	53%	0.525	S	S	*	.	H	α-helix	trans	-60.1	-41.3	178.6	-70.3	173.7	-173.7	-131.1	-2.3	112	E50 T51 L57 S58	E50-R54 WeakPolarHBondContact O-CG 3.48Å; E50-R54 PolarHBondContact O-N 3.43Å; E50-R54 VanDerWaalsContact O-N 3.08Å; T51-R54 PolarHBondContact O-N 3.25Å; R54-L57 PolarHBondContact O-N 3.03Å; R54-S58 WeakPolarHBondContact O-CB 3.31Å; R54-S58 PolarHBondContact O-N 3.32Å
55	Q	83.7	Confident	79.8	Confident	100 Å²	100	112.5 Å²	112.5	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-64.2	-42.7	173.5	-72.7	176.6	-43.7	0	0	112.5	T51 F52 K53 L57 S58 L59	T51-Q55 WeakPolarHBondContact O-CG 3.45Å; T51-Q55 PolarHBondContact O-N 3.48Å; F52-Q55 PolarHBondContact O-N 2.88Å; K53-Q55 VanDerWaalsContact C-N 3.33Å; K53-Q55 PolarHBondContact O-N 3.21Å; Q55-L57 PolarHBondContact O-N 3.11Å; Q55-S58 PolarHBondContact O-N 2.91Å; Q55-L59 WeakPolarHBondContact O-CG 3.46Å; Q55-L59 PolarHBondContact O-N 3.3Å
56	N	85.2	Confident	79.9	Confident	84 Å²	84	113.1 Å²	113.1	45%	0.449	53%	0.533	S	S	.	.	H	α-helix	trans	-64.9	-39.2	177.9	-155	-73.2	0	0	0	111.5	F52 K53 R60	F52-N56 WeakPolarHBondContact O-CB 3.3Å; F52-N56 PolarHBondContact O-N 3.11Å; K53-N56 PolarHBondContact O-N 2.96Å; K53-N56 VanDerWaalsContact O-N 3.16Å; N56-R60 VanDerWaalsContact O-CG 3.27Å; N56-R60 WeakPolarHBondContact O-CG 3.45Å; N56-R60 PolarHBondContact O-N 3.13Å; N56-R60 VanDerWaalsContact O-N 3.07Å; N56-R60 PolarHBondContact OD1-NE 2.87Å; N56-R60 PolarHBondContact OD1-NH2 2.87Å
57	L	83.3	Confident	79.7	Confident	111 Å²	111	114.6 Å²	114.6	58%	0.581	54%	0.538	S	S	*	.	H	α-helix	trans	-64	-47.7	173.9	-176.2	62.1	0	0	0	111.6	K53 R54 Q55 L59 R60 V61	K53-L57 PolarHBondContact O-N 2.96Å; R54-L57 PolarHBondContact O-N 3.03Å; Q55-L57 PolarHBondContact O-N 3.11Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 3.31Å; L57-R60 WeakPolarHBondContact O-CB 3.33Å; L57-R60 PolarHBondContact O-N 3.27Å; L57-R60 VanDerWaalsContact O-N 3.11Å; L57-V61 PolarHBondContact O-N 3.36Å
58	S	81.5	Confident	79.4	Confident	75 Å²	75	109.1 Å²	109.1	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-55.4	-46.3	176.2	-168.4	0	0	0	0	112.1	R54 Q55 R60 V61 E62	R54-S58 WeakPolarHBondContact O-CB 3.31Å; R54-S58 PolarHBondContact O-N 3.32Å; Q55-S58 PolarHBondContact O-N 2.91Å; S58-R60 VanDerWaalsContact C-N 3.34Å; S58-R60 PolarHBondContact O-N 3.14Å; S58-V61 PolarHBondContact O-N 3.38Å; S58-E62 PolarHBondContact O-N 2.59Å
59	L	81.4	Confident	79.3	Confident	96 Å²	96	110 Å²	110	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-33	178.2	-71.6	167.7	0	0	0	112.7	Q55 L57 I63	Q55-L59 WeakPolarHBondContact O-CG 3.46Å; Q55-L59 PolarHBondContact O-N 3.3Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 3.31Å; L59-I63 WeakPolarHBondContact O-CB 3.36Å; L59-I63 WeakPolarHBondContact O-CD1 3.18Å; L59-I63 WeakPolarHBondContact O-CG1 3.45Å; L59-I63 PolarHBondContact O-N 3.45Å
60	R	80.6	Confident	78.9	Confident	169 Å²	169	110.8 Å²	110.8	64%	0.638	52%	0.517	S	S	*	.	H	α-helix	trans	-66.8	-41.2	174.3	-72.9	168.7	-172.3	-138.2	-0.4	112	N56 L57 S58 I63 Y64	N56-R60 VanDerWaalsContact O-CG 3.27Å; N56-R60 WeakPolarHBondContact O-CG 3.45Å; N56-R60 PolarHBondContact O-N 3.13Å; N56-R60 VanDerWaalsContact O-N 3.07Å; N56-R60 PolarHBondContact OD1-NE 2.87Å; N56-R60 PolarHBondContact OD1-NH2 2.87Å; L57-R60 WeakPolarHBondContact O-CB 3.33Å; L57-R60 PolarHBondContact O-N 3.27Å; L57-R60 VanDerWaalsContact O-N 3.11Å; S58-R60 VanDerWaalsContact C-N 3.34Å; S58-R60 PolarHBondContact O-N 3.14Å; R60-I63 PolarHBondContact O-N 3.17Å; R60-Y64 WeakPolarHBondContact O-CB 3.24Å; R60-Y64 PolarHBondContact O-N 3.1Å
61	V	78.6	Confident	78.6	Confident	90 Å²	90	116.4 Å²	116.4	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-65.5	-42.6	175.7	175.7	0	0	0	0	110.7	L57 S58 Y64 Y65	L57-V61 PolarHBondContact O-N 3.36Å; S58-V61 PolarHBondContact O-N 3.38Å; V61-Y64 WeakPolarHBondContact O-CB 3.38Å; V61-Y64 PolarHBondContact O-N 2.94Å; V61-Y65 PolarHBondContact O-N 3.09Å
62	E	79.7	Confident	78.1	Confident	109 Å²	109	119.3 Å²	119.3	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-62.6	-43.8	176	-171.4	173.4	-166.8	0	0	112.2	S58 Y64 Y65 L66	S58-E62 PolarHBondContact O-N 2.59Å; E62-Y64 VanDerWaalsContact C-N 3.35Å; E62-Y64 PolarHBondContact O-N 3.28Å; E62-Y65 PolarHBondContact O-N 2.66Å; E62-L66 HydrophobicContact CG-CD1 4.32Å; E62-L66 WeakPolarHBondContact O-CB 3.46Å; E62-L66 WeakPolarHBondContact O-CG 3.28Å; E62-L66 PolarHBondContact O-N 2.94Å
63	I	77.1	Confident	77.6	Confident	96 Å²	96	116.1 Å²	116.1	49%	0.492	54%	0.543	S	S	.	.	H	α-helix	trans	-64.6	-37	174	-71.1	165.8	0	0	0	111.9	L59 R60 K67	L59-I63 WeakPolarHBondContact O-CB 3.36Å; L59-I63 WeakPolarHBondContact O-CD1 3.18Å; L59-I63 WeakPolarHBondContact O-CG1 3.45Å; L59-I63 PolarHBondContact O-N 3.45Å; R60-I63 PolarHBondContact O-N 3.17Å; I63-K67 WeakPolarHBondContact O-CB 3.26Å; I63-K67 WeakPolarHBondContact O-CG 3.43Å; I63-K67 PolarHBondContact O-N 3.28Å
64	Y	76.4	Confident	76.5	Confident	173 Å²	173	113.2 Å²	113.2	68%	0.678	55%	0.546	S	S	*	.	H	α-helix	trans	-63	-51.5	175	-177.7	-96.2	0	0	0	110.7	R60 V61 E62 L66 K67 T68	R60-Y64 WeakPolarHBondContact O-CB 3.24Å; R60-Y64 PolarHBondContact O-N 3.1Å; V61-Y64 WeakPolarHBondContact O-CB 3.38Å; V61-Y64 PolarHBondContact O-N 2.94Å; E62-Y64 VanDerWaalsContact C-N 3.35Å; E62-Y64 PolarHBondContact O-N 3.28Å; Y64-L66 VanDerWaalsContact C-N 3.35Å; Y64-L66 PolarHBondContact O-N 3.16Å; Y64-K67 WeakPolarHBondContact O-CB 3.35Å; Y64-K67 PolarHBondContact O-N 2.96Å; Y64-K67 VanDerWaalsContact O-N 3.09Å; Y64-T68 PolarHBondContact O-N 3.46Å; Y64-T68 PolarHBondContact O-OG1 3.41Å; Y64-T68 VanDerWaalsContact O-OG1 3.09Å
65	Y	75.2	Confident	75.3	Confident	138 Å²	138	109.8 Å²	109.8	54%	0.541	54%	0.54	S	S	.	.	H	α-helix	trans	-58.4	-43.3	177.4	-176.5	-118.8	0	0	0	112.5	V61 E62 K67 T68 R69	V61-Y65 PolarHBondContact O-N 3.09Å; E62-Y65 PolarHBondContact O-N 2.66Å; Y65-K67 PolarHBondContact O-N 3.41Å; Y65-T68 PolarHBondContact O-N 3.42Å; Y65-R69 HydrophobicContact CD2-CG 4.5Å; Y65-R69 HydrophobicContact CE2-CG 4.23Å; Y65-R69 WeakPolarHBondContact O-CG 3.41Å; Y65-R69 PolarHBondContact O-N 3.43Å
66	L	75.4	Confident	73.8	Confident	95 Å²	95	109 Å²	109	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-61.9	-40.1	174.6	-74.4	168.3	0	0	0	112.5	E62 Y64 R69 L70	E62-L66 HydrophobicContact CG-CD1 4.32Å; E62-L66 WeakPolarHBondContact O-CB 3.46Å; E62-L66 WeakPolarHBondContact O-CG 3.28Å; E62-L66 PolarHBondContact O-N 2.94Å; Y64-L66 VanDerWaalsContact C-N 3.35Å; Y64-L66 PolarHBondContact O-N 3.16Å; L66-R69 PolarHBondContact O-N 2.88Å; L66-L70 WeakPolarHBondContact O-CB 3.22Å; L66-L70 VanDerWaalsContact O-CG 3.28Å; L66-L70 WeakPolarHBondContact O-CG 3.47Å; L66-L70 PolarHBondContact O-N 3.06Å
67	K	71.2	Confident	72	Confident	145 Å²	145	110.8 Å²	110.8	63%	0.63	56%	0.561	S	S	*	*	H	α-helix	trans	-64.9	-40.2	174.2	-79.4	-177.3	174.2	-171.5	0	112.5	I63 Y64 Y65 L70 R71	I63-K67 WeakPolarHBondContact O-CB 3.26Å; I63-K67 WeakPolarHBondContact O-CG 3.43Å; I63-K67 PolarHBondContact O-N 3.28Å; Y64-K67 WeakPolarHBondContact O-CB 3.35Å; Y64-K67 PolarHBondContact O-N 2.96Å; Y64-K67 VanDerWaalsContact O-N 3.09Å; Y65-K67 PolarHBondContact O-N 3.41Å; K67-L70 PolarHBondContact O-N 3.3Å; K67-R71 PolarHBondContact O-N 3.49Å
68	T	71.6	Confident	70.2	Confident	48 Å²	48	111.7 Å²	111.7	29%	0.294	57%	0.567	S	S	.	*	H	α-helix	trans	-62.1	-49.5	175.6	-50	0	0	0	0	110.3	Y64 Y65 L70 R71 E72	Y64-T68 PolarHBondContact O-N 3.46Å; Y64-T68 PolarHBondContact O-OG1 3.41Å; Y64-T68 VanDerWaalsContact O-OG1 3.09Å; Y65-T68 PolarHBondContact O-N 3.42Å; T68-L70 VanDerWaalsContact C-N 3.32Å; T68-L70 PolarHBondContact O-N 3.22Å; T68-R71 CarbonylContact O-C 3.57Å; T68-R71 WeakPolarHBondContact O-CA 3.4Å; T68-R71 WeakPolarHBondContact O-CB 3.26Å; T68-R71 PolarHBondContact O-N 2.93Å; T68-E72 WeakPolarHBondContact CG2-OE1 3.36Å; T68-E72 WeakPolarHBondContact O-CG 3.28Å; T68-E72 PolarHBondContact O-N 2.9Å
69	R	73.1	Confident	68	Low	139 Å²	139	114.2 Å²	114.2	53%	0.525	58%	0.583	S	S	.	*	H	α-helix	trans	-64.2	-31	178.3	-64.8	-163.8	73.7	-164.4	3.4	114.4	Y65 L66 E72 A73	Y65-R69 HydrophobicContact CD2-CG 4.5Å; Y65-R69 HydrophobicContact CE2-CG 4.23Å; Y65-R69 WeakPolarHBondContact O-CG 3.41Å; Y65-R69 PolarHBondContact O-N 3.43Å; L66-R69 PolarHBondContact O-N 2.88Å; R69-E72 WeakPolarHBondContact CA-OE2 3.42Å; R69-A73 VanDerWaalsContact O-CB 3.3Å; R69-A73 WeakPolarHBondContact O-CB 3.31Å; R69-A73 PolarHBondContact O-N 3.35Å
70	L	73.4	Confident	66.1	Low	83 Å²	83	113.1 Å²	113.1	44%	0.435	58%	0.582	S	S	.	*	H	α-helix	trans	-68.2	-39.7	171.2	-74	169.7	0	0	0	111.6	L66 K67 T68 A73 G74 I75	L66-L70 WeakPolarHBondContact O-CB 3.22Å; L66-L70 VanDerWaalsContact O-CG 3.28Å; L66-L70 WeakPolarHBondContact O-CG 3.47Å; L66-L70 PolarHBondContact O-N 3.06Å; K67-L70 PolarHBondContact O-N 3.3Å; T68-L70 VanDerWaalsContact C-N 3.32Å; T68-L70 PolarHBondContact O-N 3.22Å; L70-A73 PolarHBondContact O-N 3.07Å; L70-G74 PolarHBondContact O-N 3.1Å; L70-I75 HydrophobicContact CB-CB 4.48Å; L70-I75 HydrophobicContact CD2-CB 4.28Å; L70-I75 HydrophobicContact CD2-CD1 3.93Å; L70-I75 HydrophobicContact CD2-CG2 4.39Å; L70-I75 WeakPolarHBondContact O-CA 3.43Å; L70-I75 WeakPolarHBondContact O-CB 3.46Å; L70-I75 PolarHBondContact O-N 2.98Å
71	R	72.8	Confident	64	Low	192 Å²	192	109.7 Å²	109.7	73%	0.725	58%	0.576	S	S	*	*	H	α-helix	trans	-66	-44	174	-179.9	179	-74.3	-157.6	-6.2	112	K67 T68 A73 G74	K67-R71 PolarHBondContact O-N 3.49Å; T68-R71 CarbonylContact O-C 3.57Å; T68-R71 WeakPolarHBondContact O-CA 3.4Å; T68-R71 WeakPolarHBondContact O-CB 3.26Å; T68-R71 PolarHBondContact O-N 2.93Å; R71-A73 VanDerWaalsContact C-N 3.27Å; R71-A73 PolarHBondContact O-N 3.09Å; R71-G74 PolarHBondContact O-N 3.25Å
72	E	72.1	Confident	62.3	Low	132 Å²	132	113 Å²	113	62%	0.617	59%	0.59	S	S	*	*	H	α-helix	trans	-56.6	-40.6	173	-70.3	163.7	-167.2	0	0	111.9	T68 R69 G74	T68-E72 WeakPolarHBondContact CG2-OE1 3.36Å; T68-E72 WeakPolarHBondContact O-CG 3.28Å; T68-E72 PolarHBondContact O-N 2.9Å; R69-E72 WeakPolarHBondContact CA-OE2 3.42Å; E72-G74 PolarHBondContact O-N 3.23Å
73	A	71.3	Confident	61	Low	67 Å²	67	116.9 Å²	116.9	55%	0.554	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	5.4	177.2	0	0	0	0	0	114.2	R69 L70 R71 I75	R69-A73 VanDerWaalsContact O-CB 3.3Å; R69-A73 WeakPolarHBondContact O-CB 3.31Å; R69-A73 PolarHBondContact O-N 3.35Å; L70-A73 PolarHBondContact O-N 3.07Å; R71-A73 VanDerWaalsContact C-N 3.27Å; R71-A73 PolarHBondContact O-N 3.09Å; A73-I75 HydrophobicContact CB-CD1 4.17Å; A73-I75 HydrophobicContact CB-CG1 4.12Å; A73-I75 PolarHBondContact O-N 3.17Å
74	G	62.6	Low	59.6	Low	58 Å²	58	118.8 Å²	118.8	60%	0.598	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.8	11.1	-176.5	0	0	0	0	0	114.4	L70 R71 E72 T76	L70-G74 PolarHBondContact O-N 3.1Å; R71-G74 PolarHBondContact O-N 3.25Å; E72-G74 PolarHBondContact O-N 3.23Å; G74-T76 PolarHBondContact O-N 2.88Å; G74-T76 VanDerWaalsContact O-N 3.09Å
75	I	55.5	Low	58.3	Low	106 Å²	106	118.1 Å²	118.1	54%	0.544	61%	0.608	S	S	.	*			trans	-89.2	63.9	179.8	-49.4	176.5	0	0	0	108.7	L70 A73 S77	L70-I75 HydrophobicContact CB-CB 4.48Å; L70-I75 HydrophobicContact CD2-CB 4.28Å; L70-I75 HydrophobicContact CD2-CD1 3.93Å; L70-I75 HydrophobicContact CD2-CG2 4.39Å; L70-I75 WeakPolarHBondContact O-CA 3.43Å; L70-I75 WeakPolarHBondContact O-CB 3.46Å; L70-I75 PolarHBondContact O-N 2.98Å; A73-I75 HydrophobicContact CB-CD1 4.17Å; A73-I75 HydrophobicContact CB-CG1 4.12Å; A73-I75 PolarHBondContact O-N 3.17Å; I75-S77 PolarHBondContact O-N 2.92Å
76	T	52.7	Low	56.7	Low	82 Å²	82	120.4 Å²	120.4	50%	0.503	62%	0.624	S	S	.	*			trans	-75.5	114	170.4	46.1	0	0	0	0	109.5	G74 D78	G74-T76 PolarHBondContact O-N 2.88Å; G74-T76 VanDerWaalsContact O-N 3.09Å; T76-D78 PolarHBondContact O-N 2.92Å
77	S	45.8	Very low	55.3	Low	122 Å²	122	122.2 Å²	122.2	85%	0.853	63%	0.633	S	S	*	*			trans	-79.2	50	-179	68.9	0	0	0	0	112.8	I75 C79	I75-S77 PolarHBondContact O-N 2.92Å; S77-C79 PolarHBondContact O-N 2.92Å
78	D	45.5	Very low	54.2	Low	130 Å²	130	120 Å²	120	70%	0.695	63%	0.628	S	S	*	*			trans	-79.3	114.6	168.1	-63.7	-53.2	0	0	0	107.5	T76 P80	T76-D78 PolarHBondContact O-N 2.92Å; D78-P80 WeakPolarHBondContact O-CD 3.48Å
79	C	35.5	Very low	53.3	Low	128 Å²	128	122.2 Å²	122.2	87%	0.865	64%	0.644	S	S	*	*			trans	-76.8	111.8	-175	-168.9	0	0	0	0	109.6	S77	S77-C79 PolarHBondContact O-N 2.92Å
80	P	42.1	Very low	52.5	Low	73 Å²	73	119 Å²	119	47%	0.474	65%	0.647	S	S	.	*			trans	-75.4	147.2	-177.9	-10.8	28.8	0	0	0	110.6	D78 L82 Y85	D78-P80 WeakPolarHBondContact O-CD 3.48Å; P80-L82 PolarHBondContact O-N 3.16Å; P80-Y85 HydrophobicContact CB-CE2 4.13Å; P80-Y85 HydrophobicContact CG-CE2 4.47Å
81	D	36.8	Very low	51.6	Low	98 Å²	98	118 Å²	118	52%	0.524	65%	0.65	S	S	.	*			trans	-64.7	134.7	174.6	-166.3	-12.8	0	0	0	109.6	R83 D84	D81-R83 PolarHBondContact O-N 3.44Å; D81-D84 PolarHBondContact O-N 2.98Å
82	L	42.1	Very low	50.5	Low	158 Å²	158	114.5 Å²	114.5	83%	0.827	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-3.4	-172.8	-95.6	142.4	0	0	0	114.1	P80	P80-L82 PolarHBondContact O-N 3.16Å
83	R	52.3	Low	49.5	Very low	192 Å²	192	114.7 Å²	114.7	73%	0.725	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-28	-179.4	-55.3	-173.1	-165.4	-135.5	2.7	113.7	D81 Y85	D81-R83 PolarHBondContact O-N 3.44Å; R83-Y85 PolarHBondContact O-N 3.28Å; R83-Y85 VanDerWaalsContact O-N 3.14Å
84	D	48.5	Very low	48.5	Very low	135 Å²	135	114.7 Å²	114.7	72%	0.722	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-4.6	-173.3	-64.8	-17.4	0	0	0	113.1	D81	D81-D84 PolarHBondContact O-N 2.98Å
85	Y	48.9	Very low	47.9	Very low	160 Å²	160	116.6 Å²	116.6	63%	0.627	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	9.5	178.2	-72.9	-76.8	0	0	0	115.1	P80 R83 L87	P80-Y85 HydrophobicContact CB-CE2 4.13Å; P80-Y85 HydrophobicContact CG-CE2 4.47Å; R83-Y85 PolarHBondContact O-N 3.28Å; R83-Y85 VanDerWaalsContact O-N 3.14Å; Y85-L87 PolarHBondContact O-N 3.41Å
86	Q	41.2	Very low	47.8	Very low	186 Å²	186	115 Å²	115	87%	0.869	65%	0.649	S	S	*	*			trans	-76.3	73.9	171.3	-68.6	-163.9	-1.2	0	0	111.9
87	L	46.8	Very low	47.9	Very low	132 Å²	132	115.9 Å²	115.9	69%	0.691	66%	0.656	S	S	*	*			trans	-75.2	135.2	175.4	-73.5	168.4	0	0	0	112.1	Y85 P89	Y85-L87 PolarHBondContact O-N 3.41Å; L87-P89 WeakPolarHBondContact O-CD 3.39Å
88	D	48.1	Very low	48.3	Very low	99 Å²	99	114.9 Å²	114.9	53%	0.529	64%	0.644	S	S	.	*			trans	-64.3	122	178.6	-179	-2.8	0	0	0	112	A90 A91	D88-A90 PolarHBondContact O-N 3.15Å; D88-A90 VanDerWaalsContact O-N 3.12Å; D88-A90 WeakPolarHBondContact OD1-CB 3.46Å; D88-A90 PolarHBondContact OD1-N 2.99Å; D88-A91 PolarHBondContact O-N 3.39Å; D88-A91 VanDerWaalsContact O-N 3.15Å
89	P	52.3	Low	48.9	Very low	95 Å²	95	114.1 Å²	114.1	62%	0.617	64%	0.635	S	S	*	*	H	α-helix	trans	-55.8	-23.9	174.6	-26.1	35.5	0	0	0	115.1	L87 N93	L87-P89 WeakPolarHBondContact O-CD 3.39Å; P89-N93 PolarHBondContact O-ND2 2.99Å
90	A	55.9	Low	50.1	Low	71 Å²	71	113.5 Å²	113.5	59%	0.587	62%	0.623	S	S	*	*	H	α-helix	trans	-69	-37	177.9	0	0	0	0	0	112.5	D88 L92	D88-A90 PolarHBondContact O-N 3.15Å; D88-A90 VanDerWaalsContact O-N 3.12Å; D88-A90 WeakPolarHBondContact OD1-CB 3.46Å; D88-A90 PolarHBondContact OD1-N 2.99Å; A90-L92 PolarHBondContact O-N 2.68Å
91	A	54.2	Low	51.2	Low	61 Å²	61	113 Å²	113	50%	0.504	63%	0.625	S	S	.	*	H	α-helix	trans	-70.2	-30.5	-176.6	0	0	0	0	0	113.2	D88 N93	D88-A91 PolarHBondContact O-N 3.39Å; D88-A91 VanDerWaalsContact O-N 3.15Å; A91-N93 PolarHBondContact O-N 3.37Å
92	L	50.7	Low	52.5	Low	119 Å²	119	113.7 Å²	113.7	62%	0.623	63%	0.625	S	S	*	*	H	α-helix	trans	-70.2	-27	-175.3	-85.8	155	0	0	0	114.2	A90	A90-L92 PolarHBondContact O-N 2.68Å
93	N	51.8	Low	53.8	Low	137 Å²	137	113 Å²	113	73%	0.733	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-12	-171.4	-71.3	-59.4	0	0	0	114.8	P89 A91	P89-N93 PolarHBondContact O-ND2 2.99Å; A91-N93 PolarHBondContact O-N 3.37Å
94	G	49.1	Very low	54.9	Low	66 Å²	66	105.9 Å²	105.9	68%	0.68	60%	0.601	S	S	*	*	S	Bend	trans	-92.2	-15.1	-175.1	0	0	0	0	0	116.5	P96	G94-P96 VanDerWaalsContact C-CD 3.49Å
95	I	50.7	Low	56.2	Low	99 Å²	99	104.5 Å²	104.5	51%	0.508	59%	0.594	S	S	.	*			trans	-91.9	-18.4	-168.7	-56.6	175.1	0	0	0	116.8	P97 K99	I95-P97 VanDerWaalsContact C-CD 3.42Å; I95-P97 WeakPolarHBondContact O-CD 3.48Å; I95-K99 HydrophobicContact CG2-CD 4.29Å
96	P	53.4	Low	57.3	Low	73 Å²	73	100 Å²	100	47%	0.474	58%	0.583	S	S	.	*	H	α-helix	trans	-52	-40.8	-164.8	-31.5	35	0	0	0	120.9	G94 V98 N100	G94-P96 VanDerWaalsContact C-CD 3.49Å; P96-V98 PolarHBondContact O-N 2.95Å; P96-N100 PolarHBondContact O-ND2 3.32Å
97	P	55.2	Low	59.2	Low	100 Å²	100	99.1 Å²	99.1	65%	0.649	57%	0.572	S	S	*	*	H	α-helix	trans	-76.2	-28.9	-160.5	26.6	-34.1	0	0	0	115.2	I95	I95-P97 VanDerWaalsContact C-CD 3.42Å; I95-P97 WeakPolarHBondContact O-CD 3.48Å
98	V	54	Low	60.9	Low	100 Å²	100	98.3 Å²	98.3	61%	0.606	56%	0.564	S	S	*	*	H	α-helix	trans	-78.5	-49.5	-172.3	-177.8	0	0	0	0	111.8	P96 N100 A101	P96-V98 PolarHBondContact O-N 2.95Å; V98-N100 PolarHBondContact O-N 3.45Å; V98-N100 VanDerWaalsContact O-N 3.16Å; V98-A101 PolarHBondContact O-N 3.47Å
99	K	57.5	Low	62.5	Low	115 Å²	115	99.5 Å²	99.5	50%	0.5	57%	0.566	S	S	.	*	H	α-helix	trans	-61.9	-28.3	-175.3	-67	-169.5	174.3	-171.9	0	113.4	I95 A101 E102 F103	I95-K99 HydrophobicContact CG2-CD 4.29Å; K99-A101 PolarHBondContact O-N 3.28Å; K99-E102 PolarHBondContact O-N 2.67Å; K99-F103 HydrophobicContact CB-CD2 4.39Å; K99-F103 HydrophobicContact CB-CE2 4.49Å; K99-F103 VanDerWaalsContact O-CD2 3.26Å; K99-F103 WeakPolarHBondContact O-CD2 3.32Å; K99-F103 PolarHBondContact O-N 3.35Å
100	N	60.5	Low	63.8	Low	115 Å²	115	100.5 Å²	100.5	62%	0.615	57%	0.566	S	S	*	*	H	α-helix	trans	-65.3	-26.6	177.8	-72.7	-16.8	0	0	0	113.1	P96 V98 G104	P96-N100 PolarHBondContact O-ND2 3.32Å; V98-N100 PolarHBondContact O-N 3.45Å; V98-N100 VanDerWaalsContact O-N 3.16Å; N100-G104 PolarHBondContact O-N 2.9Å
101	A	65	Low	65.2	Low	62 Å²	62	102.3 Å²	102.3	51%	0.512	56%	0.562	S	S	.	*	H	α-helix	trans	-75.1	-43.2	173.5	0	0	0	0	0	111.6	V98 K99 G104 L105	V98-A101 PolarHBondContact O-N 3.47Å; K99-A101 PolarHBondContact O-N 3.28Å; A101-G104 WeakPolarHBondContact O-CA 3.34Å; A101-G104 PolarHBondContact O-N 2.96Å; A101-L105 PolarHBondContact O-N 2.96Å
102	E	65.3	Low	66.6	Low	112 Å²	112	105 Å²	105	52%	0.523	57%	0.565	S	S	.	*	H	α-helix	trans	-63.7	-40.5	177.2	-61.2	174.9	138.9	0	0	111.8	K99 G104 L105 T106	K99-E102 PolarHBondContact O-N 2.67Å; E102-G104 VanDerWaalsContact C-N 3.27Å; E102-G104 PolarHBondContact O-N 2.6Å; E102-L105 PolarHBondContact O-N 3.15Å; E102-T106 PolarHBondContact O-N 3.23Å; E102-T106 PolarHBondContact O-OG1 2.9Å
103	F	68.1	Low	68	Low	145 Å²	145	105 Å²	105	64%	0.636	57%	0.565	S	S	*	*	H	α-helix	trans	-65.8	-26.9	171.4	-84.1	-60.8	0	0	0	113.2	K99 T106 R107	K99-F103 HydrophobicContact CB-CD2 4.39Å; K99-F103 HydrophobicContact CB-CE2 4.49Å; K99-F103 VanDerWaalsContact O-CD2 3.26Å; K99-F103 WeakPolarHBondContact O-CD2 3.32Å; K99-F103 PolarHBondContact O-N 3.35Å; F103-T106 WeakPolarHBondContact CA-OG1 3.44Å; F103-R107 WeakPolarHBondContact O-CB 3.43Å; F103-R107 PolarHBondContact O-N 3.48Å
104	G	75.1	Confident	69.5	Low	41 Å²	41	101.8 Å²	101.8	42%	0.423	55%	0.547	S	S	.	.	H	α-helix	trans	-69.4	-48.6	172.8	0	0	0	0	0	112	N100 A101 E102 Q108	N100-G104 PolarHBondContact O-N 2.9Å; A101-G104 WeakPolarHBondContact O-CA 3.34Å; A101-G104 PolarHBondContact O-N 2.96Å; E102-G104 VanDerWaalsContact C-N 3.27Å; E102-G104 PolarHBondContact O-N 2.6Å; G104-Q108 PolarHBondContact O-N 3.06Å; G104-Q108 VanDerWaalsContact O-N 3.16Å
105	L	76.1	Confident	71.3	Confident	107 Å²	107	103.6 Å²	103.6	56%	0.56	54%	0.54	S	S	*	.	H	α-helix	trans	-64.2	-52.2	179.6	-69.2	169.3	0	0	0	112.1	A101 E102 R107 Q108 E109	A101-L105 PolarHBondContact O-N 2.96Å; E102-L105 PolarHBondContact O-N 3.15Å; L105-R107 PolarHBondContact O-N 3.12Å; L105-Q108 WeakPolarHBondContact O-CB 3.36Å; L105-Q108 PolarHBondContact O-N 2.97Å; L105-E109 WeakPolarHBondContact O-CG 3.41Å; L105-E109 PolarHBondContact O-N 3.04Å
106	T	72.7	Confident	73	Confident	65 Å²	65	103.3 Å²	103.3	40%	0.399	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-29.7	-179.3	47.9	0	0	0	0	113	E102 F103 L110	E102-T106 PolarHBondContact O-N 3.23Å; E102-T106 PolarHBondContact O-OG1 2.9Å; F103-T106 WeakPolarHBondContact CA-OG1 3.44Å; T106-L110 WeakPolarHBondContact O-CB 3.34Å; T106-L110 WeakPolarHBondContact O-CG 3.44Å; T106-L110 PolarHBondContact O-N 2.88Å
107	R	80.6	Confident	74.3	Confident	168 Å²	168	107.3 Å²	107.3	63%	0.634	55%	0.55	S	S	*	.	H	α-helix	trans	-68	-43.1	171.3	-172.4	-179.4	-164.7	140.9	8.4	112.2	F103 L105 E109 L110 E111	F103-R107 WeakPolarHBondContact O-CB 3.43Å; F103-R107 PolarHBondContact O-N 3.48Å; L105-R107 PolarHBondContact O-N 3.12Å; R107-E109 VanDerWaalsContact C-N 3.33Å; R107-L110 PolarHBondContact O-N 3.13Å; R107-E111 IonicContact NE-OE1 2.61Å; R107-E111 WeakPolarHBondContact O-CG 3.46Å; R107-E111 PolarHBondContact O-N 3.07Å
108	Q	82.7	Confident	75.8	Confident	114 Å²	114	108.3 Å²	108.3	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-66.5	-35.7	177.1	-168	175.1	13.1	0	0	111.9	G104 L105 E111 Q112	G104-Q108 PolarHBondContact O-N 3.06Å; G104-Q108 VanDerWaalsContact O-N 3.16Å; L105-Q108 WeakPolarHBondContact O-CB 3.36Å; L105-Q108 PolarHBondContact O-N 2.97Å; Q108-E111 PolarHBondContact O-N 2.95Å; Q108-Q112 WeakPolarHBondContact O-CG 3.49Å; Q108-Q112 PolarHBondContact O-N 3.39Å
109	E	82.3	Confident	77.3	Confident	124 Å²	124	108.1 Å²	108.1	58%	0.579	54%	0.543	S	S	*	.	H	α-helix	trans	-65.5	-44.3	172.4	-69.4	174.5	156.6	0	0	111.8	L105 R107 E111 Q112 L113	L105-E109 WeakPolarHBondContact O-CG 3.41Å; L105-E109 PolarHBondContact O-N 3.04Å; R107-E109 VanDerWaalsContact C-N 3.33Å; E109-E111 PolarHBondContact O-N 2.6Å; E109-Q112 PolarHBondContact O-N 3.23Å; E109-L113 WeakPolarHBondContact O-CB 3.48Å; E109-L113 PolarHBondContact O-N 2.84Å
110	L	79.2	Confident	78.6	Confident	117 Å²	117	111.1 Å²	111.1	61%	0.613	55%	0.551	S	S	*	*	H	α-helix	trans	-61.7	-40	174.5	-82	166.1	0	0	0	112.7	T106 R107 L113 D114	T106-L110 WeakPolarHBondContact O-CB 3.34Å; T106-L110 WeakPolarHBondContact O-CG 3.44Å; T106-L110 PolarHBondContact O-N 2.88Å; R107-L110 PolarHBondContact O-N 3.13Å; L110-L113 PolarHBondContact O-N 3.36Å; L110-D114 WeakPolarHBondContact O-CB 3.36Å; L110-D114 PolarHBondContact O-N 3.02Å
111	E	84.4	Confident	79.4	Confident	108 Å²	108	107.8 Å²	107.8	51%	0.505	54%	0.537	S	S	.	.	H	α-helix	trans	-65.9	-38.7	175.7	-74.3	172.9	-164.9	0	0	111.7	R107 Q108 E109 I115	R107-E111 IonicContact NE-OE1 2.61Å; R107-E111 WeakPolarHBondContact O-CG 3.46Å; R107-E111 PolarHBondContact O-N 3.07Å; Q108-E111 PolarHBondContact O-N 2.95Å; E109-E111 PolarHBondContact O-N 2.6Å; E111-I115 WeakPolarHBondContact O-CD1 3.46Å; E111-I115 VanDerWaalsContact O-CG1 3.25Å; E111-I115 WeakPolarHBondContact O-CG1 3.29Å; E111-I115 PolarHBondContact O-N 3.21Å; E111-I115 VanDerWaalsContact O-N 3.11Å
112	Q	84.1	Confident	80.4	Confident	119 Å²	119	107.2 Å²	107.2	56%	0.556	53%	0.532	S	S	*	.	H	α-helix	trans	-64.9	-41.4	170.8	-72.3	-175	32.6	0	0	112.3	Q108 E109 I115 T116	Q108-Q112 WeakPolarHBondContact O-CG 3.49Å; Q108-Q112 PolarHBondContact O-N 3.39Å; E109-Q112 PolarHBondContact O-N 3.23Å; Q112-I115 PolarHBondContact O-N 2.97Å; Q112-T116 PolarHBondContact O-N 2.94Å; Q112-T116 PolarHBondContact O-OG1 3.39Å; Q112-T116 VanDerWaalsContact O-OG1 3.09Å
113	L	79.1	Confident	81.3	Confident	118 Å²	118	103.1 Å²	103.1	62%	0.618	52%	0.517	S	S	*	.	H	α-helix	trans	-64.1	-41.8	179.7	-157	81.2	0	0	0	111.9	E109 L110 T116 Y117	E109-L113 WeakPolarHBondContact O-CB 3.48Å; E109-L113 PolarHBondContact O-N 2.84Å; L110-L113 PolarHBondContact O-N 3.36Å; L113-T116 PolarHBondContact O-N 3.05Å; L113-Y117 WeakPolarHBondContact O-CB 3.36Å; L113-Y117 PolarHBondContact O-N 3.01Å
114	D	84.3	Confident	81.9	Confident	69 Å²	69	100.7 Å²	100.7	37%	0.369	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-42	174.7	169	66	0	0	0	112.2	L110 Y117 K118	L110-D114 WeakPolarHBondContact O-CB 3.36Å; L110-D114 PolarHBondContact O-N 3.02Å; D114-Y117 PolarHBondContact O-N 3.31Å; D114-K118 WeakPolarHBondContact O-CB 3.48Å; D114-K118 VanDerWaalsContact O-CG 3.32Å; D114-K118 WeakPolarHBondContact O-CG 3.27Å; D114-K118 PolarHBondContact O-N 3.44Å; D114-K118 WeakPolarHBondContact OD1-CE 3.34Å; D114-K118 IonicContact OD1-NZ 2.75Å; D114-K118 PolarHBondContact OD1-NZ 3.5Å; D114-K118 WeakPolarHBondContact OD2-CE 3.43Å; D114-K118 IonicContact OD2-NZ 3.8Å; D114-K118 PolarHBondContact OD2-NZ 3.2Å
115	I	88	Confident	82.4	Confident	104 Å²	104	105.5 Å²	105.5	53%	0.533	52%	0.521	S	S	.	.	H	α-helix	trans	-60.2	-48.1	172.6	-69.7	164.9	0	0	0	110.5	E111 Q112 Y117 K118 V119	E111-I115 WeakPolarHBondContact O-CD1 3.46Å; E111-I115 VanDerWaalsContact O-CG1 3.25Å; E111-I115 WeakPolarHBondContact O-CG1 3.29Å; E111-I115 PolarHBondContact O-N 3.21Å; E111-I115 VanDerWaalsContact O-N 3.11Å; Q112-I115 PolarHBondContact O-N 2.97Å; I115-Y117 VanDerWaalsContact C-N 3.35Å; I115-Y117 PolarHBondContact O-N 3.23Å; I115-K118 PolarHBondContact O-N 3.01Å; I115-V119 WeakPolarHBondContact O-CG2 3.4Å; I115-V119 PolarHBondContact O-N 3.32Å
116	T	84.5	Confident	82.8	Confident	93 Å²	93	108.5 Å²	108.5	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-61.9	-41.1	177.8	-62.1	0	0	0	0	112	Q112 L113 V119 R120	Q112-T116 PolarHBondContact O-N 2.94Å; Q112-T116 PolarHBondContact O-OG1 3.39Å; Q112-T116 VanDerWaalsContact O-OG1 3.09Å; L113-T116 PolarHBondContact O-N 3.05Å; T116-V119 PolarHBondContact O-N 2.97Å; T116-R120 WeakPolarHBondContact O-CB 3.39Å; T116-R120 PolarHBondContact O-N 2.95Å
117	Y	81.5	Confident	83.2	Confident	157 Å²	157	110.4 Å²	110.4	62%	0.616	53%	0.53	S	S	*	.	H	α-helix	trans	-63.1	-46	176	-175	-101.8	0	0	0	111.6	L113 D114 I115 V119 R120 C121	L113-Y117 WeakPolarHBondContact O-CB 3.36Å; L113-Y117 PolarHBondContact O-N 3.01Å; D114-Y117 PolarHBondContact O-N 3.31Å; I115-Y117 VanDerWaalsContact C-N 3.35Å; I115-Y117 PolarHBondContact O-N 3.23Å; Y117-V119 PolarHBondContact O-N 3.4Å; Y117-R120 PolarHBondContact O-N 3.36Å; Y117-C121 PolarHBondContact O-N 3.22Å; Y117-C121 PolarHBondContact O-SG 2.89Å; Y117-C121 VanDerWaalsContact O-SG 3.36Å
118	K	86.4	Confident	83.2	Confident	121 Å²	121	106.9 Å²	106.9	53%	0.526	52%	0.523	S	S	.	.	H	α-helix	trans	-60.4	-42.9	176	-76.3	165.6	176.4	163.1	0	112.4	D114 I115 C121 A122	D114-K118 WeakPolarHBondContact O-CB 3.48Å; D114-K118 VanDerWaalsContact O-CG 3.32Å; D114-K118 WeakPolarHBondContact O-CG 3.27Å; D114-K118 PolarHBondContact O-N 3.44Å; D114-K118 WeakPolarHBondContact OD1-CE 3.34Å; D114-K118 IonicContact OD1-NZ 2.75Å; D114-K118 PolarHBondContact OD1-NZ 3.5Å; D114-K118 WeakPolarHBondContact OD2-CE 3.43Å; D114-K118 IonicContact OD2-NZ 3.8Å; D114-K118 PolarHBondContact OD2-NZ 3.2Å; I115-K118 PolarHBondContact O-N 3.01Å; K118-C121 PolarHBondContact O-N 3.48Å; K118-A122 WeakPolarHBondContact O-CB 3.3Å; K118-A122 PolarHBondContact O-N 3.47Å
119	V	86.6	Confident	83.1	Confident	96 Å²	96	105.9 Å²	105.9	58%	0.582	52%	0.519	S	S	*	.	H	α-helix	trans	-62.2	-42.7	174.5	171	0	0	0	0	111.4	I115 T116 Y117 A122 A123	I115-V119 WeakPolarHBondContact O-CG2 3.4Å; I115-V119 PolarHBondContact O-N 3.32Å; T116-V119 PolarHBondContact O-N 2.97Å; Y117-V119 PolarHBondContact O-N 3.4Å; V119-A122 PolarHBondContact O-N 3Å; V119-A123 PolarHBondContact O-N 3.05Å
120	R	84.7	Confident	83.2	Confident	179 Å²	179	105.6 Å²	105.6	68%	0.675	52%	0.517	S	S	*	.	H	α-helix	trans	-65.5	-43.8	177.9	-170.6	174.8	-177.3	176.1	0	112.3	T116 Y117 A122 A123 L124	T116-R120 WeakPolarHBondContact O-CB 3.39Å; T116-R120 PolarHBondContact O-N 2.95Å; Y117-R120 PolarHBondContact O-N 3.36Å; R120-A122 VanDerWaalsContact C-N 3.33Å; R120-A122 PolarHBondContact O-N 3.32Å; R120-A123 WeakPolarHBondContact O-CB 3.43Å; R120-A123 PolarHBondContact O-N 2.93Å; R120-A123 VanDerWaalsContact O-N 3.12Å; R120-L124 HydrophobicContact CG-CD1 4.19Å; R120-L124 WeakPolarHBondContact O-CG 3.48Å; R120-L124 PolarHBondContact O-N 3.11Å
121	C	77.7	Confident	82.8	Confident	45 Å²	45	104.2 Å²	104.2	30%	0.304	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-43	173.8	-70.3	0	0	0	0	111.7	Y117 K118 A123 L124 Q125	Y117-C121 PolarHBondContact O-N 3.22Å; Y117-C121 PolarHBondContact O-SG 2.89Å; Y117-C121 VanDerWaalsContact O-SG 3.36Å; K118-C121 PolarHBondContact O-N 3.48Å; C121-A123 VanDerWaalsContact C-N 3.25Å; C121-A123 PolarHBondContact O-N 3.03Å; C121-L124 PolarHBondContact O-N 3.41Å; C121-Q125 WeakPolarHBondContact O-CB 3.27Å; C121-Q125 PolarHBondContact O-N 3.16Å
122	A	85.5	Confident	82.6	Confident	50 Å²	50	105.7 Å²	105.7	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-70.1	-15.5	176.2	0	0	0	0	0	114.1	K118 V119 R120 R126	K118-A122 WeakPolarHBondContact O-CB 3.3Å; K118-A122 PolarHBondContact O-N 3.47Å; V119-A122 PolarHBondContact O-N 3Å; R120-A122 VanDerWaalsContact C-N 3.33Å; R120-A122 PolarHBondContact O-N 3.32Å; A122-R126 PolarHBondContact O-NE 3.07Å; A122-R126 PolarHBondContact O-NH2 2.92Å
123	A	83.9	Confident	82.4	Confident	26 Å²	26	104 Å²	104	22%	0.215	51%	0.509	C	S	.	.	H	α-helix	trans	-81.2	-55.8	168	0	0	0	0	0	111	V119 R120 C121 Q125 R126 E127	V119-A123 PolarHBondContact O-N 3.05Å; R120-A123 WeakPolarHBondContact O-CB 3.43Å; R120-A123 PolarHBondContact O-N 2.93Å; R120-A123 VanDerWaalsContact O-N 3.12Å; C121-A123 VanDerWaalsContact C-N 3.25Å; C121-A123 PolarHBondContact O-N 3.03Å; A123-Q125 PolarHBondContact O-N 2.97Å; A123-R126 WeakPolarHBondContact O-CA 3.48Å; A123-R126 WeakPolarHBondContact O-CB 3.13Å; A123-R126 PolarHBondContact O-N 3.08Å; A123-E127 PolarHBondContact O-N 3.36Å
124	L	80.3	Confident	82.3	Confident	93 Å²	93	103.3 Å²	103.3	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-55.7	-36.6	179.3	-68.8	168.7	0	0	0	112.7	R120 C121 E127 L128	R120-L124 HydrophobicContact CG-CD1 4.19Å; R120-L124 WeakPolarHBondContact O-CG 3.48Å; R120-L124 PolarHBondContact O-N 3.11Å; C121-L124 PolarHBondContact O-N 3.41Å; L124-E127 PolarHBondContact O-N 2.97Å; L124-L128 WeakPolarHBondContact O-CB 3.39Å; L124-L128 PolarHBondContact O-N 2.73Å
125	Q	85.5	Confident	81.8	Confident	142 Å²	142	103.2 Å²	103.2	66%	0.664	51%	0.506	S	S	*	.	H	α-helix	trans	-71	-27.9	177.4	-169.5	169	-1.9	0	0	113.2	C121 A123 E129	C121-Q125 WeakPolarHBondContact O-CB 3.27Å; C121-Q125 PolarHBondContact O-N 3.16Å; A123-Q125 PolarHBondContact O-N 2.97Å; Q125-E129 PolarHBondContact O-N 3.43Å
126	R	85.2	Confident	81.4	Confident	170 Å²	170	103 Å²	103	64%	0.642	50%	0.503	S	S	*	.	H	α-helix	trans	-75.9	-39.9	171.7	-77.9	178.8	-72.5	138.1	-0.6	111.6	A122 A123 E129 Q130	A122-R126 PolarHBondContact O-NE 3.07Å; A122-R126 PolarHBondContact O-NH2 2.92Å; A123-R126 WeakPolarHBondContact O-CA 3.48Å; A123-R126 WeakPolarHBondContact O-CB 3.13Å; A123-R126 PolarHBondContact O-N 3.08Å; R126-E129 PolarHBondContact O-N 2.82Å; R126-Q130 WeakPolarHBondContact O-CB 3.37Å; R126-Q130 PolarHBondContact O-N 2.83Å
127	E	80	Confident	81	Confident	105 Å²	105	101.3 Å²	101.3	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-61.5	-45.4	174.5	-69.8	163.4	-165.8	0	0	111	A123 L124 E129 Q130 E131	A123-E127 PolarHBondContact O-N 3.36Å; L124-E127 PolarHBondContact O-N 2.97Å; E127-E129 VanDerWaalsContact C-N 3.35Å; E127-E129 PolarHBondContact O-N 3.34Å; E127-Q130 PolarHBondContact O-N 2.98Å; E127-E131 PolarHBondContact O-N 2.85Å
128	L	80.5	Confident	80.7	Confident	94 Å²	94	95.5 Å²	95.5	49%	0.492	48%	0.482	S	S	.	.	H	α-helix	trans	-59.7	-41.3	175.4	-179	63.7	0	0	0	112.7	L124 E131 R132	L124-L128 WeakPolarHBondContact O-CB 3.39Å; L124-L128 PolarHBondContact O-N 2.73Å; L128-E131 PolarHBondContact O-N 3.48Å; L128-R132 VanDerWaalsContact O-CG 3.31Å; L128-R132 WeakPolarHBondContact O-CG 3.36Å; L128-R132 PolarHBondContact O-N 2.84Å
129	E	82.3	Confident	80.4	Confident	94 Å²	94	93.2 Å²	93.2	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-73.1	-33.5	178	-155.7	60.9	-149.4	0	0	112	Q125 R126 E127 R132 C133	Q125-E129 PolarHBondContact O-N 3.43Å; R126-E129 PolarHBondContact O-N 2.82Å; E127-E129 VanDerWaalsContact C-N 3.35Å; E127-E129 PolarHBondContact O-N 3.34Å; E129-R132 WeakPolarHBondContact O-CB 3.39Å; E129-R132 PolarHBondContact O-N 3.03Å; E129-R132 WeakPolarHBondContact OE2-CD 3.48Å; E129-R132 IonicContact OE2-CZ 3.85Å; E129-R132 IonicContact OE2-NE 2.76Å; E129-R132 IonicContact OE2-NH1 2.66Å; E129-R132 PolarHBondContact OE2-NH1 3.22Å; E129-C133 PolarHBondContact O-N 2.92Å; E129-C133 PolarHBondContact O-SG 2.93Å; E129-C133 VanDerWaalsContact O-SG 3.41Å
130	Q	82.6	Confident	80	Confident	117 Å²	117	92.8 Å²	92.8	55%	0.547	47%	0.469	S	S	.	.	H	α-helix	trans	-63.5	-42	171.6	-170.2	177.8	5.9	0	0	111.8	R126 E127 C133 K134	R126-Q130 WeakPolarHBondContact O-CB 3.37Å; R126-Q130 PolarHBondContact O-N 2.83Å; E127-Q130 PolarHBondContact O-N 2.98Å; Q130-C133 PolarHBondContact O-N 3.38Å; Q130-K134 WeakPolarHBondContact O-CG 3.45Å; Q130-K134 PolarHBondContact O-N 3.3Å
131	E	72.3	Confident	79.7	Confident	89 Å²	89	87.8 Å²	87.8	42%	0.416	46%	0.456	S	S	.	.	H	α-helix	trans	-68.3	-34.5	174	-71.2	-49.3	135.8	0	0	113.1	E127 L128 K134 S135	E127-E131 PolarHBondContact O-N 2.85Å; L128-E131 PolarHBondContact O-N 3.48Å; E131-K134 PolarHBondContact O-N 2.96Å; E131-K134 VanDerWaalsContact OE1-CD 3.31Å; E131-K134 WeakPolarHBondContact OE1-CD 3.27Å; E131-K134 WeakPolarHBondContact OE1-CE 3.49Å; E131-K134 IonicContact OE1-NZ 3.69Å; E131-K134 PolarHBondContact OE1-NZ 2.85Å; E131-K134 VanDerWaalsContact OE2-CD 3.29Å; E131-K134 WeakPolarHBondContact OE2-CD 3.22Å; E131-K134 IonicContact OE2-NZ 2.65Å; E131-S135 WeakPolarHBondContact O-CB 3.38Å; E131-S135 PolarHBondContact O-N 3.41Å
132	R	80	Confident	79.8	Confident	138 Å²	138	90.3 Å²	90.3	52%	0.521	46%	0.459	S	S	.	.	H	α-helix	trans	-60.1	-46.1	170.1	-75.7	164.1	170.9	-176.2	-2.2	111.5	L128 E129 S135 Q136	L128-R132 VanDerWaalsContact O-CG 3.31Å; L128-R132 WeakPolarHBondContact O-CG 3.36Å; L128-R132 PolarHBondContact O-N 2.84Å; E129-R132 WeakPolarHBondContact O-CB 3.39Å; E129-R132 PolarHBondContact O-N 3.03Å; E129-R132 WeakPolarHBondContact OE2-CD 3.48Å; E129-R132 IonicContact OE2-CZ 3.85Å; E129-R132 IonicContact OE2-NE 2.76Å; E129-R132 IonicContact OE2-NH1 2.66Å; E129-R132 PolarHBondContact OE2-NH1 3.22Å; R132-S135 PolarHBondContact O-N 3.32Å; R132-Q136 WeakPolarHBondContact O-CB 3.22Å; R132-Q136 PolarHBondContact O-N 3.07Å
133	C	78.8	Confident	79.7	Confident	84 Å²	84	92.6 Å²	92.6	57%	0.568	46%	0.464	S	S	*	.	H	α-helix	trans	-61.9	-43.6	175.9	-70.6	0	0	0	0	112.6	E129 Q130 A137	E129-C133 PolarHBondContact O-N 2.92Å; E129-C133 PolarHBondContact O-SG 2.93Å; E129-C133 VanDerWaalsContact O-SG 3.41Å; Q130-C133 PolarHBondContact O-N 3.38Å; C133-A137 WeakPolarHBondContact O-CB 3.35Å; C133-A137 PolarHBondContact O-N 3.03Å
134	K	77.8	Confident	79.6	Confident	103 Å²	103	98.1 Å²	98.1	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-61.3	-46.9	174.4	-72.5	168.7	176	-179.1	0	112	Q130 E131 A137 A138	Q130-K134 WeakPolarHBondContact O-CG 3.45Å; Q130-K134 PolarHBondContact O-N 3.3Å; E131-K134 PolarHBondContact O-N 2.96Å; E131-K134 VanDerWaalsContact OE1-CD 3.31Å; E131-K134 WeakPolarHBondContact OE1-CD 3.27Å; E131-K134 WeakPolarHBondContact OE1-CE 3.49Å; E131-K134 IonicContact OE1-NZ 3.69Å; E131-K134 PolarHBondContact OE1-NZ 2.85Å; E131-K134 VanDerWaalsContact OE2-CD 3.29Å; E131-K134 WeakPolarHBondContact OE2-CD 3.22Å; E131-K134 IonicContact OE2-NZ 2.65Å; K134-A137 WeakPolarHBondContact O-CB 3.44Å; K134-A137 PolarHBondContact O-N 3.31Å; K134-A138 PolarHBondContact O-N 2.87Å
135	S	73	Confident	79.4	Confident	68 Å²	68	95.7 Å²	95.7	48%	0.476	47%	0.473	S	S	.	.	H	α-helix	trans	-61.6	-44.2	179.1	-175.3	0	0	0	0	111.8	E131 R132 A137 A138 I139	E131-S135 WeakPolarHBondContact O-CB 3.38Å; E131-S135 PolarHBondContact O-N 3.41Å; R132-S135 PolarHBondContact O-N 3.32Å; S135-A137 PolarHBondContact O-N 3.47Å; S135-A138 PolarHBondContact O-N 3.02Å; S135-I139 WeakPolarHBondContact O-CG1 3.24Å; S135-I139 PolarHBondContact O-N 3.2Å
136	Q	80	Confident	79.2	Confident	100 Å²	100	90.2 Å²	90.2	47%	0.467	45%	0.447	S	S	.	.	H	α-helix	trans	-64.6	-38.4	175.2	-171.1	60	53.4	0	0	112.2	R132 I139 N140	R132-Q136 WeakPolarHBondContact O-CB 3.22Å; R132-Q136 PolarHBondContact O-N 3.07Å; Q136-I139 PolarHBondContact O-N 3.35Å; Q136-N140 PolarHBondContact NE2-OD1 3.44Å; Q136-N140 WeakPolarHBondContact O-CB 3.47Å; Q136-N140 PolarHBondContact O-N 3.33Å; Q136-N140 PolarHBondContact O-OD1 3.32Å
137	A	77.5	Confident	79.1	Confident	56 Å²	56	87.3 Å²	87.3	46%	0.463	44%	0.44	S	S	.	.	H	α-helix	trans	-62.7	-41	173.4	0	0	0	0	0	112	C133 K134 S135 N140 L141	C133-A137 WeakPolarHBondContact O-CB 3.35Å; C133-A137 PolarHBondContact O-N 3.03Å; K134-A137 WeakPolarHBondContact O-CB 3.44Å; K134-A137 PolarHBondContact O-N 3.31Å; S135-A137 PolarHBondContact O-N 3.47Å; A137-N140 PolarHBondContact O-N 2.92Å; A137-L141 PolarHBondContact O-N 3.39Å
138	A	75.1	Confident	79.1	Confident	35 Å²	35	84 Å²	84	29%	0.289	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-39.2	175.2	0	0	0	0	0	112.7	K134 S135 L141 R142	K134-A138 PolarHBondContact O-N 2.87Å; S135-A138 PolarHBondContact O-N 3.02Å; A138-L141 PolarHBondContact O-N 3.07Å; A138-R142 WeakPolarHBondContact O-CG 3.39Å; A138-R142 PolarHBondContact O-N 3.39Å
139	I	79.1	Confident	79.1	Confident	73 Å²	73	81.8 Å²	81.8	37%	0.374	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-47	173	-69.3	165	0	0	0	110.5	S135 Q136 L141 R142 L143	S135-I139 WeakPolarHBondContact O-CG1 3.24Å; S135-I139 PolarHBondContact O-N 3.2Å; Q136-I139 PolarHBondContact O-N 3.35Å; I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 PolarHBondContact O-N 3.45Å; I139-R142 PolarHBondContact O-N 3.4Å; I139-L143 HydrophobicContact CG2-CD1 4.08Å; I139-L143 WeakPolarHBondContact O-CG 3.38Å; I139-L143 PolarHBondContact O-N 3.04Å
140	N	79.1	Confident	79.2	Confident	87 Å²	87	82.7 Å²	82.7	47%	0.465	42%	0.416	S	S	.	.	H	α-helix	trans	-61.3	-37.7	177.3	-67.4	-3.1	0	0	0	111.7	Q136 A137 K144	Q136-N140 PolarHBondContact NE2-OD1 3.44Å; Q136-N140 WeakPolarHBondContact O-CB 3.47Å; Q136-N140 PolarHBondContact O-N 3.33Å; Q136-N140 PolarHBondContact O-OD1 3.32Å; A137-N140 PolarHBondContact O-N 2.92Å; N140-K144 PolarHBondContact O-N 3.43Å; N140-K144 VanDerWaalsContact O-N 3.12Å
141	L	78.2	Confident	79.2	Confident	75 Å²	75	80.1 Å²	80.1	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-65.2	-47.4	175	-139.5	87.5	0	0	0	111.6	A137 A138 I139 L143 K144 C145	A137-L141 PolarHBondContact O-N 3.39Å; A138-L141 PolarHBondContact O-N 3.07Å; I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 PolarHBondContact O-N 3.45Å; L141-L143 PolarHBondContact O-N 3.15Å; L141-K144 WeakPolarHBondContact O-CB 3.46Å; L141-K144 PolarHBondContact O-N 3.39Å; L141-K144 VanDerWaalsContact O-N 3.11Å; L141-C145 PolarHBondContact O-N 2.79Å; L141-C145 PolarHBondContact O-SG 2.75Å; L141-C145 VanDerWaalsContact O-SG 3.4Å
142	R	79.9	Confident	79.7	Confident	98 Å²	98	79.5 Å²	79.5	37%	0.37	40%	0.402	S	S	.	.	H	α-helix	trans	-60.3	-42.8	177.8	-74.1	-178.7	-178	143.4	0.7	112	A138 I139 K144 C145 Q146 E398	A138-R142 WeakPolarHBondContact O-CG 3.39Å; A138-R142 PolarHBondContact O-N 3.39Å; I139-R142 PolarHBondContact O-N 3.4Å; R142-K144 VanDerWaalsContact C-N 3.32Å; R142-K144 PolarHBondContact O-N 3.18Å; R142-C145 PolarHBondContact O-N 3.12Å; R142-Q146 WeakPolarHBondContact O-CG 3.47Å; R142-Q146 PolarHBondContact O-N 2.75Å; R142-E398 IonicContact NH2-OE1 2.73Å; R142-E398 PolarHBondContact NH2-OE1 3.25Å
143	L	82.4	Confident	80	Confident	98 Å²	98	76.9 Å²	76.9	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-60.8	-39	174.1	-70	170.5	0	0	0	112.3	I139 L141 K147	I139-L143 HydrophobicContact CG2-CD1 4.08Å; I139-L143 WeakPolarHBondContact O-CG 3.38Å; I139-L143 PolarHBondContact O-N 3.04Å; L141-L143 PolarHBondContact O-N 3.15Å; L143-K147 PolarHBondContact O-N 3.48Å; L143-K147 VanDerWaalsContact O-N 3.1Å
144	K	82.7	Confident	80.2	Confident	142 Å²	142	75.5 Å²	75.5	62%	0.617	39%	0.392	S	S	*	.	H	α-helix	trans	-68.2	-39.1	175.8	-168.3	171	-176.8	174.5	0	112.3	N140 L141 R142 K147 L148	N140-K144 PolarHBondContact O-N 3.43Å; N140-K144 VanDerWaalsContact O-N 3.12Å; L141-K144 WeakPolarHBondContact O-CB 3.46Å; L141-K144 PolarHBondContact O-N 3.39Å; L141-K144 VanDerWaalsContact O-N 3.11Å; R142-K144 VanDerWaalsContact C-N 3.32Å; R142-K144 PolarHBondContact O-N 3.18Å; K144-K147 PolarHBondContact O-N 2.85Å; K144-L148 WeakPolarHBondContact O-CG 3.41Å; K144-L148 PolarHBondContact O-N 3.43Å; K144-L148 VanDerWaalsContact O-N 3.14Å
145	C	75.3	Confident	80.3	Confident	41 Å²	41	73.9 Å²	73.9	28%	0.277	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-48.1	173	-67.9	0	0	0	0	111.7	L141 R142 K147 L148 E149	L141-C145 PolarHBondContact O-N 2.79Å; L141-C145 PolarHBondContact O-SG 2.75Å; L141-C145 VanDerWaalsContact O-SG 3.4Å; R142-C145 PolarHBondContact O-N 3.12Å; C145-K147 VanDerWaalsContact C-N 3.29Å; C145-K147 PolarHBondContact O-N 2.98Å; C145-L148 PolarHBondContact O-N 3.1Å; C145-L148 VanDerWaalsContact O-N 3.1Å; C145-E149 PolarHBondContact O-N 3.01Å
146	Q	81.6	Confident	80.8	Confident	27 Å²	27	75 Å²	75	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-57.2	-40.1	177.3	-73.7	170	2.3	0	0	112.3	R142 E149 Q150 E878	R142-Q146 WeakPolarHBondContact O-CG 3.47Å; R142-Q146 PolarHBondContact O-N 2.75Å; Q146-E149 PolarHBondContact O-N 3Å; Q146-Q150 WeakPolarHBondContact O-CG 3.28Å; Q146-Q150 PolarHBondContact O-N 3.4Å; Q146-E878 PolarHBondContact NE2-OE1 3.14Å; Q146-E878 PolarHBondContact NE2-OE2 2.92Å
147	K	83.9	Confident	80.9	Confident	110 Å²	110	73 Å²	73	48%	0.478	39%	0.386	S	S	.	.	H	α-helix	trans	-64	-47.1	174.3	-172.9	177.5	177.7	-177.8	0	111.8	L143 K144 C145 E149 Q150 D151	L143-K147 PolarHBondContact O-N 3.48Å; L143-K147 VanDerWaalsContact O-N 3.1Å; K144-K147 PolarHBondContact O-N 2.85Å; C145-K147 VanDerWaalsContact C-N 3.29Å; C145-K147 PolarHBondContact O-N 2.98Å; K147-E149 VanDerWaalsContact C-N 3.28Å; K147-E149 PolarHBondContact O-N 3.38Å; K147-Q150 WeakPolarHBondContact O-CB 3.33Å; K147-Q150 PolarHBondContact O-N 2.93Å; K147-D151 VanDerWaalsContact O-CG 3.24Å; K147-D151 PolarHBondContact O-N 3.38Å
148	L	78	Confident	81	Confident	34 Å²	34	73.3 Å²	73.3	18%	0.178	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-32.1	178.5	-71.1	170.9	0	0	0	113	K144 C145 K152 I387	K144-L148 WeakPolarHBondContact O-CG 3.41Å; K144-L148 PolarHBondContact O-N 3.43Å; K144-L148 VanDerWaalsContact O-N 3.14Å; C145-L148 PolarHBondContact O-N 3.1Å; C145-L148 VanDerWaalsContact O-N 3.1Å; L148-K152 WeakPolarHBondContact O-CB 3.49Å; L148-K152 PolarHBondContact O-N 2.95Å; L148-I387 HydrophobicContact CB-CD1 4.39Å
149	E	80.6	Confident	81.2	Confident	48 Å²	48	74.6 Å²	74.6	22%	0.224	39%	0.386	C	S	.	.	H	α-helix	trans	-72.3	-37.8	174.1	-71.7	-179	151.1	0	0	111.8	C145 Q146 K147 K152 I153	C145-E149 PolarHBondContact O-N 3.01Å; Q146-E149 PolarHBondContact O-N 3Å; K147-E149 VanDerWaalsContact C-N 3.28Å; K147-E149 PolarHBondContact O-N 3.38Å; E149-K152 PolarHBondContact O-N 3.07Å; E149-I153 VanDerWaalsContact O-CG1 3.29Å; E149-I153 WeakPolarHBondContact O-CG1 3.17Å; E149-I153 PolarHBondContact O-N 2.84Å
150	Q	85.2	Confident	81.3	Confident	113 Å²	113	76.3 Å²	76.3	53%	0.528	39%	0.392	S	S	.	.	H	α-helix	trans	-63.1	-46.4	170.6	-72	171.9	8.2	0	0	112	Q146 K147 K152 I153 A154	Q146-Q150 WeakPolarHBondContact O-CG 3.28Å; Q146-Q150 PolarHBondContact O-N 3.4Å; K147-Q150 WeakPolarHBondContact O-CB 3.33Å; K147-Q150 PolarHBondContact O-N 2.93Å; Q150-K152 VanDerWaalsContact C-N 3.29Å; Q150-K152 PolarHBondContact O-N 3.44Å; Q150-I153 PolarHBondContact O-N 2.73Å; Q150-A154 PolarHBondContact O-N 3.44Å
151	D	81.7	Confident	81.3	Confident	64 Å²	64	76.1 Å²	76.1	34%	0.342	39%	0.388	S	S	.	.	H	α-helix	trans	-59.1	-40.3	175.6	-65.3	-21.3	0	0	0	111	K147 A154 L155	K147-D151 VanDerWaalsContact O-CG 3.24Å; K147-D151 PolarHBondContact O-N 3.38Å; D151-A154 PolarHBondContact O-N 3.38Å; D151-L155 WeakPolarHBondContact O-CB 3.38Å; D151-L155 WeakPolarHBondContact O-CG 3.49Å; D151-L155 PolarHBondContact O-N 3.34Å
152	K	84.8	Confident	81.2	Confident	75 Å²	75	77.3 Å²	77.3	33%	0.326	40%	0.395	S	S	.	.	H	α-helix	trans	-64.3	-43.1	175.3	-179.5	169.9	179.5	164.6	0	112.3	L148 E149 Q150 L155 L156	L148-K152 WeakPolarHBondContact O-CB 3.49Å; L148-K152 PolarHBondContact O-N 2.95Å; E149-K152 PolarHBondContact O-N 3.07Å; Q150-K152 VanDerWaalsContact C-N 3.29Å; Q150-K152 PolarHBondContact O-N 3.44Å; K152-L155 PolarHBondContact O-N 3.03Å; K152-L156 HydrophobicContact CG-CD1 4Å; K152-L156 HydrophobicContact CG-CG 4.48Å; K152-L156 WeakPolarHBondContact O-CB 3.44Å; K152-L156 VanDerWaalsContact O-CG 3.29Å; K152-L156 WeakPolarHBondContact O-CG 3.45Å; K152-L156 PolarHBondContact O-N 3.32Å
153	I	86.2	Confident	81.2	Confident	84 Å²	84	79.3 Å²	79.3	43%	0.431	41%	0.406	S	S	.	.	H	α-helix	trans	-65.1	-40.1	177.9	-69.4	163.5	0	0	0	111	E149 Q150 S157	E149-I153 VanDerWaalsContact O-CG1 3.29Å; E149-I153 WeakPolarHBondContact O-CG1 3.17Å; E149-I153 PolarHBondContact O-N 2.84Å; Q150-I153 PolarHBondContact O-N 2.73Å; I153-S157 WeakPolarHBondContact O-CB 3.4Å; I153-S157 PolarHBondContact O-N 2.98Å; I153-S157 PolarHBondContact O-OG 3.43Å
154	A	82.8	Confident	81.1	Confident	54 Å²	54	79.7 Å²	79.7	45%	0.446	40%	0.404	S	S	.	.	H	α-helix	trans	-61.8	-51.4	175	0	0	0	0	0	111.6	Q150 D151 L156 S157 S158	Q150-A154 PolarHBondContact O-N 3.44Å; D151-A154 PolarHBondContact O-N 3.38Å; A154-L156 PolarHBondContact O-N 3.1Å; A154-S157 WeakPolarHBondContact O-CB 3.46Å; A154-S157 PolarHBondContact O-N 3.43Å; A154-S157 VanDerWaalsContact O-N 3.13Å; A154-S158 PolarHBondContact O-N 3.05Å; A154-S158 PolarHBondContact O-OG 2.99Å
155	L	79.8	Confident	80.8	Confident	69 Å²	69	76.8 Å²	76.8	36%	0.361	39%	0.392	S	S	.	.	H	α-helix	trans	-60.1	-41	178.5	-73.3	169.2	0	0	0	112.9	D151 K152 S157 L159	D151-L155 WeakPolarHBondContact O-CB 3.38Å; D151-L155 WeakPolarHBondContact O-CG 3.49Å; D151-L155 PolarHBondContact O-N 3.34Å; K152-L155 PolarHBondContact O-N 3.03Å; L155-S157 VanDerWaalsContact C-N 3.34Å; L155-L159 VanDerWaalsContact O-CB 3.3Å; L155-L159 WeakPolarHBondContact O-CB 3.37Å; L155-L159 PolarHBondContact O-N 2.93Å
156	L	82.8	Confident	80.6	Confident	92 Å²	92	77 Å²	77	48%	0.482	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-38	175.6	-74.1	171.8	0	0	0	112.1	K152 A154 L159 E160	K152-L156 HydrophobicContact CG-CD1 4Å; K152-L156 HydrophobicContact CG-CG 4.48Å; K152-L156 WeakPolarHBondContact O-CB 3.44Å; K152-L156 VanDerWaalsContact O-CG 3.29Å; K152-L156 WeakPolarHBondContact O-CG 3.45Å; K152-L156 PolarHBondContact O-N 3.32Å; A154-L156 PolarHBondContact O-N 3.1Å; L156-L159 PolarHBondContact O-N 3.44Å; L156-E160 PolarHBondContact O-N 2.89Å
157	S	81.6	Confident	80.2	Confident	59 Å²	59	78.3 Å²	78.3	41%	0.413	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-49	177.4	-57.1	0	0	0	0	111.3	I153 A154 L155 L159 E160 E161	I153-S157 WeakPolarHBondContact O-CB 3.4Å; I153-S157 PolarHBondContact O-N 2.98Å; I153-S157 PolarHBondContact O-OG 3.43Å; A154-S157 WeakPolarHBondContact O-CB 3.46Å; A154-S157 PolarHBondContact O-N 3.43Å; A154-S157 VanDerWaalsContact O-N 3.13Å; L155-S157 VanDerWaalsContact C-N 3.34Å; S157-L159 VanDerWaalsContact C-N 3.3Å; S157-L159 PolarHBondContact O-N 3.02Å; S157-E160 PolarHBondContact O-N 3.31Å; S157-E160 VanDerWaalsContact O-N 3.13Å; S157-E161 PolarHBondContact O-N 3.44Å
158	S	80	Confident	79.6	Confident	61 Å²	61	78.7 Å²	78.7	43%	0.427	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-35.6	176	-57.4	0	0	0	0	112.6	A154 E160 E161 L162	A154-S158 PolarHBondContact O-N 3.05Å; A154-S158 PolarHBondContact O-OG 2.99Å; S158-E160 VanDerWaalsContact C-N 3.32Å; S158-E160 PolarHBondContact O-N 2.91Å; S158-E161 PolarHBondContact O-N 3.24Å; S158-L162 WeakPolarHBondContact O-CB 3.38Å; S158-L162 WeakPolarHBondContact O-CG 3.46Å; S158-L162 PolarHBondContact O-N 3.16Å
159	L	80	Confident	79.2	Confident	62 Å²	62	82.4 Å²	82.4	33%	0.325	43%	0.431	S	S	.	.	H	α-helix	trans	-69.2	-29.2	176.1	-168.8	149	0	0	0	112.3	L155 L156 S157 K163	L155-L159 VanDerWaalsContact O-CB 3.3Å; L155-L159 WeakPolarHBondContact O-CB 3.37Å; L155-L159 PolarHBondContact O-N 2.93Å; L156-L159 PolarHBondContact O-N 3.44Å; S157-L159 VanDerWaalsContact C-N 3.3Å; S157-L159 PolarHBondContact O-N 3.02Å; L159-K163 HydrophobicContact CD2-CD 3.96Å; L159-K163 VanDerWaalsContact CD2-CE 3.47Å; L159-K163 VanDerWaalsContact CD2-NZ 3.29Å; L159-K163 WeakPolarHBondContact O-CB 3.42Å; L159-K163 VanDerWaalsContact O-CG 3.3Å; L159-K163 WeakPolarHBondContact O-CG 3.19Å; L159-K163 PolarHBondContact O-N 2.86Å
160	E	80.9	Confident	78.7	Confident	109 Å²	109	86.8 Å²	86.8	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-77.3	-38.3	172.1	-156.6	-170.2	130	0	0	112.6	L156 S157 S158 K163 K164	L156-E160 PolarHBondContact O-N 2.89Å; S157-E160 PolarHBondContact O-N 3.31Å; S157-E160 VanDerWaalsContact O-N 3.13Å; S158-E160 VanDerWaalsContact C-N 3.32Å; S158-E160 PolarHBondContact O-N 2.91Å; E160-K163 PolarHBondContact O-N 3.29Å; E160-K164 WeakPolarHBondContact O-CG 3.33Å; E160-K164 PolarHBondContact O-N 3.24Å; E160-K164 WeakPolarHBondContact OE1-CE 3.39Å; E160-K164 IonicContact OE1-NZ 3.12Å; E160-K164 PolarHBondContact OE1-NZ 2.84Å
161	E	78.1	Confident	78.1	Confident	83 Å²	83	86.4 Å²	86.4	39%	0.388	45%	0.451	S	S	.	.	H	α-helix	trans	-60.8	-50.4	172.1	-73.1	-174.9	138.5	0	0	110.8	S157 S158 K163 K164 E165 R288	S157-E161 PolarHBondContact O-N 3.44Å; S158-E161 PolarHBondContact O-N 3.24Å; E161-K163 VanDerWaalsContact C-N 3.27Å; E161-K163 PolarHBondContact O-N 3.35Å; E161-K164 WeakPolarHBondContact O-CA 3.27Å; E161-K164 WeakPolarHBondContact O-CB 3.34Å; E161-K164 PolarHBondContact O-N 3.17Å; E161-E165 WeakPolarHBondContact O-CG 3.31Å; E161-E165 PolarHBondContact O-N 3.24Å; E161-R288 IonicContact OE1-NH1 2.62Å; E161-R288 PolarHBondContact OE1-NH1 3.21Å; E161-R288 VanDerWaalsContact OE1-NH1 3.08Å
162	L	76.7	Confident	77.2	Confident	101 Å²	101	85.7 Å²	85.7	53%	0.529	45%	0.453	S	S	.	.	H	α-helix	trans	-58	-35.3	175.3	-75	168.1	0	0	0	113.2	S158 T166	S158-L162 WeakPolarHBondContact O-CB 3.38Å; S158-L162 WeakPolarHBondContact O-CG 3.46Å; S158-L162 PolarHBondContact O-N 3.16Å; L162-T166 VanDerWaalsContact O-CB 3.26Å; L162-T166 WeakPolarHBondContact O-CB 3.46Å; L162-T166 PolarHBondContact O-N 3.33Å; L162-T166 PolarHBondContact O-OG1 2.99Å
163	K	80.9	Confident	76.3	Confident	139 Å²	139	86.7 Å²	86.7	60%	0.604	46%	0.462	S	S	*	.	H	α-helix	trans	-67.3	-40.2	173.5	-83.1	173	177.6	170.5	0	112.1	L159 E160 E161 S167	L159-K163 HydrophobicContact CD2-CD 3.96Å; L159-K163 VanDerWaalsContact CD2-CE 3.47Å; L159-K163 VanDerWaalsContact CD2-NZ 3.29Å; L159-K163 WeakPolarHBondContact O-CB 3.42Å; L159-K163 VanDerWaalsContact O-CG 3.3Å; L159-K163 WeakPolarHBondContact O-CG 3.19Å; L159-K163 PolarHBondContact O-N 2.86Å; E160-K163 PolarHBondContact O-N 3.29Å; E161-K163 VanDerWaalsContact C-N 3.27Å; E161-K163 PolarHBondContact O-N 3.35Å; K163-S167 PolarHBondContact O-N 3.09Å
164	K	79.6	Confident	75.3	Confident	107 Å²	107	84.1 Å²	84.1	47%	0.465	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-49.5	175.9	-73.2	162.3	-177.6	167.7	0	110.6	E160 E161 T166 S167 L168	E160-K164 WeakPolarHBondContact O-CG 3.33Å; E160-K164 PolarHBondContact O-N 3.24Å; E160-K164 WeakPolarHBondContact OE1-CE 3.39Å; E160-K164 IonicContact OE1-NZ 3.12Å; E160-K164 PolarHBondContact OE1-NZ 2.84Å; E161-K164 WeakPolarHBondContact O-CA 3.27Å; E161-K164 WeakPolarHBondContact O-CB 3.34Å; E161-K164 PolarHBondContact O-N 3.17Å; K164-T166 PolarHBondContact O-N 2.68Å; K164-S167 WeakPolarHBondContact O-CA 3.48Å; K164-S167 WeakPolarHBondContact O-CB 3.34Å; K164-S167 PolarHBondContact O-N 3.03Å; K164-S167 PolarHBondContact O-OG 3.4Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 3.48Å
165	E	75.7	Confident	74.2	Confident	80 Å²	80	84.4 Å²	84.4	37%	0.374	46%	0.456	S	S	.	.	H	α-helix	trans	-56.9	-46.8	175.2	-68.7	173.5	168.8	0	0	112.2	E161 S167 L168 L169	E161-E165 WeakPolarHBondContact O-CG 3.31Å; E161-E165 PolarHBondContact O-N 3.24Å; E165-S167 PolarHBondContact O-N 3.32Å; E165-L168 PolarHBondContact O-N 3.16Å; E165-L168 VanDerWaalsContact O-N 3.13Å; E165-L169 PolarHBondContact O-N 3.38Å
166	T	71.9	Confident	73.1	Confident	47 Å²	47	86 Å²	86	29%	0.288	46%	0.462	S	S	.	.	H	α-helix	trans	-59.8	-34.7	175.4	-60.4	0	0	0	0	112.1	L162 K164 K170	L162-T166 VanDerWaalsContact O-CB 3.26Å; L162-T166 WeakPolarHBondContact O-CB 3.46Å; L162-T166 PolarHBondContact O-N 3.33Å; L162-T166 PolarHBondContact O-OG1 2.99Å; K164-T166 PolarHBondContact O-N 2.68Å; T166-K170 HydrophobicContact CG2-CD 4.36Å; T166-K170 WeakPolarHBondContact O-CB 3.43Å; T166-K170 VanDerWaalsContact O-CG 3.31Å; T166-K170 WeakPolarHBondContact O-CG 3.43Å; T166-K170 PolarHBondContact O-N 2.87Å; T166-K170 VanDerWaalsContact O-N 3.12Å
167	S	74	Confident	71.8	Confident	54 Å²	54	86.8 Å²	86.8	38%	0.378	47%	0.467	S	S	.	.	H	α-helix	trans	-72.9	-37.3	175.5	77.8	0	0	0	0	112.8	K163 K164 E165 K170 N171	K163-S167 PolarHBondContact O-N 3.09Å; K164-S167 WeakPolarHBondContact O-CA 3.48Å; K164-S167 WeakPolarHBondContact O-CB 3.34Å; K164-S167 PolarHBondContact O-N 3.03Å; K164-S167 PolarHBondContact O-OG 3.4Å; E165-S167 PolarHBondContact O-N 3.32Å; S167-K170 PolarHBondContact O-N 3Å; S167-N171 WeakPolarHBondContact O-CB 3.5Å; S167-N171 PolarHBondContact O-N 2.94Å; S167-N171 PolarHBondContact O-ND2 3.49Å; S167-N171 PolarHBondContact O-OD1 2.95Å
168	L	70.5	Confident	70.2	Confident	117 Å²	117	91.6 Å²	91.6	61%	0.613	48%	0.483	S	S	*	.	H	α-helix	trans	-66.1	-44.4	175.2	-70.3	170.4	0	0	0	111.5	K164 E165 K170 N171 A172	K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 3.48Å; E165-L168 PolarHBondContact O-N 3.16Å; E165-L168 VanDerWaalsContact O-N 3.13Å; L168-K170 PolarHBondContact O-N 2.96Å; L168-N171 PolarHBondContact O-N 3.25Å; L168-A172 WeakPolarHBondContact O-CB 3.4Å; L168-A172 PolarHBondContact O-N 3.41Å
169	L	70	Confident	68.5	Low	113 Å²	113	93 Å²	93	59%	0.592	49%	0.493	S	S	*	.	H	α-helix	trans	-59.2	-43.8	173.4	-82.8	161	0	0	0	112.1	E165 A172 L173	E165-L169 PolarHBondContact O-N 3.38Å; L169-A172 PolarHBondContact O-N 3.44Å; L169-L173 WeakPolarHBondContact O-CB 3.43Å; L169-L173 WeakPolarHBondContact O-CG 3.2Å; L169-L173 PolarHBondContact O-N 3.39Å
170	K	70.5	Confident	66.7	Low	139 Å²	139	94.2 Å²	94.2	60%	0.604	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-39.2	175.5	-76.5	176.8	179.1	-177.6	0	112.6	T166 S167 L168 L173 A174	T166-K170 HydrophobicContact CG2-CD 4.36Å; T166-K170 WeakPolarHBondContact O-CB 3.43Å; T166-K170 VanDerWaalsContact O-CG 3.31Å; T166-K170 WeakPolarHBondContact O-CG 3.43Å; T166-K170 PolarHBondContact O-N 2.87Å; T166-K170 VanDerWaalsContact O-N 3.12Å; S167-K170 PolarHBondContact O-N 3Å; L168-K170 PolarHBondContact O-N 2.96Å; K170-L173 PolarHBondContact O-N 3.43Å; K170-A174 PolarHBondContact O-N 3.38Å
171	N	71	Confident	64.6	Low	106 Å²	106	98 Å²	98	57%	0.567	52%	0.524	S	S	*	.	H	α-helix	trans	-68.6	-38	176.3	-67.9	-14.1	0	0	0	112	S167 L168 A174 A175	S167-N171 WeakPolarHBondContact O-CB 3.5Å; S167-N171 PolarHBondContact O-N 2.94Å; S167-N171 PolarHBondContact O-ND2 3.49Å; S167-N171 PolarHBondContact O-OD1 2.95Å; L168-N171 PolarHBondContact O-N 3.25Å; N171-A174 PolarHBondContact O-N 2.96Å; N171-A175 WeakPolarHBondContact O-CB 3.45Å; N171-A175 PolarHBondContact O-N 3.19Å
172	A	63.9	Low	63	Low	48 Å²	48	101.6 Å²	101.6	40%	0.397	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-45.2	174	0	0	0	0	0	111.6	L168 L169 A174 A175 M176	L168-A172 WeakPolarHBondContact O-CB 3.4Å; L168-A172 PolarHBondContact O-N 3.41Å; L169-A172 PolarHBondContact O-N 3.44Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 2.74Å; A172-A175 PolarHBondContact O-N 3.09Å; A172-M176 WeakPolarHBondContact O-CG 3.46Å; A172-M176 PolarHBondContact O-N 3.12Å
173	L	65.5	Low	61.1	Low	97 Å²	97	103.5 Å²	103.5	51%	0.508	56%	0.555	S	S	.	*	H	α-helix	trans	-61.4	-37.9	174.3	-75.5	164.3	0	0	0	112.4	L169 K170 M176 N177	L169-L173 WeakPolarHBondContact O-CB 3.43Å; L169-L173 WeakPolarHBondContact O-CG 3.2Å; L169-L173 PolarHBondContact O-N 3.39Å; K170-L173 PolarHBondContact O-N 3.43Å; L173-M176 HydrophobicContact CD2-CE 3.92Å; L173-M176 HydrophobicContact CG-CE 4.39Å; L173-N177 PolarHBondContact O-N 2.98Å; L173-N177 PolarHBondContact O-ND2 3.42Å
174	A	64.5	Low	59.3	Low	30 Å²	30	105 Å²	105	25%	0.248	57%	0.57	C	S	.	*	H	α-helix	trans	-63.9	-51	173.7	0	0	0	0	0	111.6	K170 N171 A172 M176 N177 E178	K170-A174 PolarHBondContact O-N 3.38Å; N171-A174 PolarHBondContact O-N 2.96Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 2.74Å; A174-M176 VanDerWaalsContact C-N 3.26Å; A174-M176 PolarHBondContact O-N 3.02Å; A174-N177 PolarHBondContact O-N 2.73Å; A174-E178 PolarHBondContact O-N 3.32Å; A174-E178 VanDerWaalsContact O-N 3.12Å
175	A	60.2	Low	57.3	Low	60 Å²	60	103.4 Å²	103.4	50%	0.496	58%	0.584	S	S	.	*	H	α-helix	trans	-62.3	-28.9	-178.5	0	0	0	0	0	113.9	N171 A172	N171-A175 WeakPolarHBondContact O-CB 3.45Å; N171-A175 PolarHBondContact O-N 3.19Å; A172-A175 PolarHBondContact O-N 3.09Å
176	M	56.2	Low	55.2	Low	101 Å²	101	104.2 Å²	104.2	50%	0.498	60%	0.604	S	S	.	*	H	α-helix	trans	-75.6	-19.4	174	-70.7	-173.8	-61.8	0	0	113.9	A172 L173 A174 S179 W257	A172-M176 WeakPolarHBondContact O-CG 3.46Å; A172-M176 PolarHBondContact O-N 3.12Å; L173-M176 HydrophobicContact CD2-CE 3.92Å; L173-M176 HydrophobicContact CG-CE 4.39Å; A174-M176 VanDerWaalsContact C-N 3.26Å; A174-M176 PolarHBondContact O-N 3.02Å; M176-S179 PolarHBondContact O-OG 3.13Å; M176-W257 HydrophobicContact SD-CH2 4.23Å
177	N	56.2	Low	53.7	Low	110 Å²	110	109.9 Å²	109.9	59%	0.588	63%	0.631	S	S	*	*	H	α-helix	trans	-89.9	-37.5	176.4	-76.3	-68.9	0	0	0	112	L173 A174 S179 S180	L173-N177 PolarHBondContact O-N 2.98Å; L173-N177 PolarHBondContact O-ND2 3.42Å; A174-N177 PolarHBondContact O-N 2.73Å; N177-S179 PolarHBondContact O-N 3.28Å; N177-S180 PolarHBondContact O-N 3.06Å; N177-S180 PolarHBondContact O-OG 3.4Å
178	E	48.8	Very low	51.8	Low	159 Å²	159	111.9 Å²	111.9	74%	0.743	65%	0.645	S	S	*	*	H	α-helix	trans	-64.2	-18.3	179.3	-69.9	177	174.1	0	0	113.3	A174 S180	A174-E178 PolarHBondContact O-N 3.32Å; A174-E178 VanDerWaalsContact O-N 3.12Å; E178-S180 VanDerWaalsContact C-N 3.34Å; E178-S180 PolarHBondContact O-N 3.28Å
179	S	44.7	Very low	50	Low	92 Å²	92	114.3 Å²	114.3	64%	0.643	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	25.6	178.4	63.9	0	0	0	0	114.9	M176 N177	M176-S179 PolarHBondContact O-OG 3.13Å; N177-S179 PolarHBondContact O-N 3.28Å
180	S	41.8	Very low	48.2	Very low	87 Å²	87	112.9 Å²	112.9	61%	0.608	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	-7.2	-172.1	68	0	0	0	0	116.6	N177 E178 I182	N177-S180 PolarHBondContact O-N 3.06Å; N177-S180 PolarHBondContact O-OG 3.4Å; E178-S180 VanDerWaalsContact C-N 3.34Å; E178-S180 PolarHBondContact O-N 3.28Å; S180-I182 PolarHBondContact O-N 3.35Å
181	E	36.9	Very low	46.4	Very low	189 Å²	189	111.2 Å²	111.2	88%	0.883	68%	0.677	S	S	*	*			trans	-92	91.3	179.7	-65.6	-168.3	151.6	0	0	111.9
182	I	43	Very low	44.8	Very low	157 Å²	157	114 Å²	114	81%	0.805	69%	0.692	S	S	*	*			trans	-115.3	121.9	161.9	-64.5	178.9	0	0	0	108.7	S180	S180-I182 PolarHBondContact O-N 3.35Å
183	D	38.6	Very low	43.5	Very low	141 Å²	141	116.3 Å²	116.3	75%	0.754	71%	0.705	S	S	*	*			trans	13.5	122.6	167.1	-65.2	-43.6	0	0	0	119.8
184	N	42.2	Very low	42.3	Very low	170 Å²	170	116.6 Å²	116.6	91%	0.909	72%	0.715	S	S	*	*				-174.1	144.3	115.3	-103.7	-68.5	0	0	0	114.3
185	G	36.6	Very low	41	Very low	74 Å²	74	123.6 Å²	123.6	76%	0.763	74%	0.74	S	S	*	*			trans	79.2	106.3	146.9	0	0	0	0	0	119.1
186	A	32.7	Very low	40.1	Very low	97 Å²	97	126 Å²	126	80%	0.802	75%	0.745	S	S	*	*			trans	-79.5	159	165	0	0	0	0	0	112.5
187	I	39.9	Very low	39.5	Very low	167 Å²	167	127.9 Å²	127.9	86%	0.856	76%	0.757	S	S	*	*			trans	-167.8	141.8	137.3	-100.6	152.2	0	0	0	113
188	S	34.8	Very low	38.7	Very low	95 Å²	95	130.7 Å²	130.7	66%	0.664	76%	0.764	S	S	*	*			trans	-6.6	128.9	177.4	62.9	0	0	0	0	123.8
189	N	31.3	Very low	38.2	Very low	168 Å²	168	130.2 Å²	130.2	90%	0.898	77%	0.766	S	S	*	*				28.1	127.7	120.7	-60.1	-8.2	0	0	0	120.9
190	G	32.7	Very low	37.7	Very low	83 Å²	83	130.7 Å²	130.7	86%	0.856	78%	0.776	S	S	*	*			trans	-169.3	97.8	160.1	0	0	0	0	0	112.5
191	S	33.2	Very low	37.3	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	79%	0.787	S	S	*	*			trans	-92	141.3	-179	54.9	0	0	0	0	112.7
192	N	37.5	Very low	37.2	Very low	163 Å²	163	132.2 Å²	132.2	87%	0.872	78%	0.777	S	S	*	*				-173.4	169.5	128.7	-93.8	-16.8	0	0	0	114.3
193	S	36.2	Very low	36.8	Very low	98 Å²	98	133 Å²	133	69%	0.685	78%	0.782	S	S	*	*			trans	-98.7	148	-150.4	53.6	0	0	0	0	118.1
194	S	39.7	Very low	36.7	Very low	102 Å²	102	129 Å²	129	71%	0.713	76%	0.764	S	S	*	*			trans	84.9	149.9	132.4	76.1	0	0	0	0	122.5
195	K	37.9	Very low	36.4	Very low	178 Å²	178	125.4 Å²	125.4	77%	0.774	75%	0.748	S	S	*	*			trans	72.5	145.8	161.7	-60.6	-159.4	162.7	-164.1	0	118.8
196	D	42.1	Very low	36.7	Very low	111 Å²	111	127 Å²	127	59%	0.594	74%	0.735	S	S	*	*			cis	-164.3	144.2	-22.5	-104	-18.7	0	0	0	108.1
197	N	42.4	Very low	37.1	Very low	140 Å²	140	125.8 Å²	125.8	75%	0.749	72%	0.721	S	S	*	*			trans	64.8	164	155.8	-68.8	-40.8	0	0	0	117.6
198	K	39.2	Very low	37.3	Very low	169 Å²	169	128.9 Å²	128.9	74%	0.735	72%	0.722	S	S	*	*			cis	-150	-176.1	6.5	-139.2	166.4	-169.6	-176.8	0	111.7
199	D	38.8	Very low	37.6	Very low	148 Å²	148	132 Å²	132	79%	0.791	72%	0.723	S	S	*	*			trans	65.8	96.1	159.6	-47.9	-28.2	0	0	0	118.4
200	A	34.7	Very low	38.3	Very low	103 Å²	103	127.2 Å²	127.2	85%	0.851	70%	0.702	S	S	*	*			trans	-155.5	96.7	163.8	0	0	0	0	0	109.6
201	E	33.3	Very low	39	Very low	179 Å²	179	130 Å²	130	84%	0.836	69%	0.687	S	S	*	*			trans	-103.3	146.8	-176.4	-143.6	178.7	173.3	0	0	111.1
202	L	33.4	Very low	39.7	Very low	129 Å²	129	134 Å²	134	68%	0.675	69%	0.685	S	S	*	*			trans	46.7	106.7	162.4	-67.9	155.1	0	0	0	119.3
203	L	36.2	Very low	39.8	Very low	172 Å²	172	133.2 Å²	133.2	90%	0.901	67%	0.671	S	S	*	*			trans	-172.9	162.3	141.9	-98.7	174.2	0	0	0	109.4
204	P	35.6	Very low	40.3	Very low	59 Å²	59	133.1 Å²	133.1	38%	0.383	66%	0.66	S	S	.	*			trans	-89.5	137.1	-151.1	33.9	-38.6	0	0	0	117	E206 L857	P204-E206 VanDerWaalsContact C-N 3.34Å; P204-E206 PolarHBondContact O-N 3.43Å; P204-L857 HydrophobicContact CB-CD1 3.39Å; P204-L857 HydrophobicContact CB-CD2 3.61Å; P204-L857 HydrophobicContact CB-CG 4.11Å
205	T	37.2	Very low	40.8	Very low	94 Å²	94	136 Å²	136	58%	0.577	66%	0.656	S	S	*	*			trans	36.8	50.8	154.6	54	0	0	0	0	116.5	E854 L857	T205-E854 HydrophobicContact CG2-CG 4.16Å; T205-L857 HydrophobicContact CG2-CD1 4.32Å
206	E	42.2	Very low	41.1	Very low	106 Å²	106	131.5 Å²	131.5	50%	0.495	64%	0.642	S	S	.	*			trans	-66.1	138.7	-178.1	-62.4	-169.3	113.5	0	0	113.5	P204 R208 R211	P204-E206 VanDerWaalsContact C-N 3.34Å; P204-E206 PolarHBondContact O-N 3.43Å; E206-R208 PolarHBondContact O-N 2.71Å; E206-R211 WeakPolarHBondContact OE2-CD 3.43Å; E206-R211 WeakPolarHBondContact OE2-CG 3.01Å; E206-R211 IonicContact OE2-NE 2.59Å; E206-R211 PolarHBondContact OE2-NE 3.29Å
207	C	41.8	Very low	41.2	Very low	73 Å²	73	129.8 Å²	129.8	49%	0.493	63%	0.633	S	S	.	*			trans	-57.2	128.6	171.6	173.5	0	0	0	0	111.6	K209 C210 R211	C207-K209 PolarHBondContact O-N 3.15Å; C207-K209 PolarHBondContact SG-N 3.16Å; C207-C210 HydrophobicContact CB-CB 4.28Å; C207-C210 WeakPolarHBondContact O-CB 3.29Å; C207-C210 PolarHBondContact O-N 3.15Å; C207-R211 PolarHBondContact O-N 2.95Å; C207-R211 VanDerWaalsContact O-N 3.07Å
208	R	43.1	Very low	41.4	Very low	232 Å²	232	125.3 Å²	125.3	88%	0.875	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-25.3	177.7	-90.1	-175.8	171	-174.3	-1.7	114.2	E206	E206-R208 PolarHBondContact O-N 2.71Å
209	K	41.1	Very low	41.7	Very low	161 Å²	161	120.3 Å²	120.3	70%	0.7	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-47.7	172.5	-65.4	-173.2	177.6	-176.2	0	111.5	C207 R211 R212 Y213	C207-K209 PolarHBondContact O-N 3.15Å; C207-K209 PolarHBondContact SG-N 3.16Å; K209-R211 VanDerWaalsContact C-N 3.3Å; K209-R211 PolarHBondContact O-N 3.42Å; K209-R212 WeakPolarHBondContact O-CB 3.26Å; K209-R212 PolarHBondContact O-N 3.49Å; K209-Y213 WeakPolarHBondContact O-CD2 3.5Å; K209-Y213 PolarHBondContact O-N 2.65Å
210	C	45.7	Very low	41.8	Very low	67 Å²	67	117.1 Å²	117.1	45%	0.453	59%	0.588	S	S	.	*	H	α-helix	trans	-56.7	-44	176.4	-60	0	0	0	0	111.4	C207 R212 Y213 E214	C207-C210 HydrophobicContact CB-CB 4.28Å; C207-C210 WeakPolarHBondContact O-CB 3.29Å; C207-C210 PolarHBondContact O-N 3.15Å; C210-R212 PolarHBondContact O-N 2.83Å; C210-R212 VanDerWaalsContact O-N 3.08Å; C210-Y213 PolarHBondContact O-N 2.92Å; C210-E214 PolarHBondContact O-N 3.11Å
211	R	46.8	Very low	42.3	Very low	142 Å²	142	119.4 Å²	119.4	54%	0.536	57%	0.574	S	S	.	*	H	α-helix	trans	-71.2	0.7	176.8	-142.6	175.6	-165.3	-136.9	-2.2	114.9	E206 C207 K209 R215	E206-R211 WeakPolarHBondContact OE2-CD 3.43Å; E206-R211 WeakPolarHBondContact OE2-CG 3.01Å; E206-R211 IonicContact OE2-NE 2.59Å; E206-R211 PolarHBondContact OE2-NE 3.29Å; C207-R211 PolarHBondContact O-N 2.95Å; C207-R211 VanDerWaalsContact O-N 3.07Å; K209-R211 VanDerWaalsContact C-N 3.3Å; K209-R211 PolarHBondContact O-N 3.42Å; R211-R215 VanDerWaalsContact O-CZ 3.3Å; R211-R215 PolarHBondContact O-NE 3.39Å; R211-R215 PolarHBondContact O-NH2 2.93Å
212	R	49	Very low	43.1	Very low	187 Å²	187	119.7 Å²	119.7	71%	0.706	57%	0.573	S	S	*	*	H	α-helix	trans	-97.4	-46	161.2	-77.1	-174.1	174	-176.5	-1.7	110.8	K209 C210 E214 R215 V216	K209-R212 WeakPolarHBondContact O-CB 3.26Å; K209-R212 PolarHBondContact O-N 3.49Å; C210-R212 PolarHBondContact O-N 2.83Å; C210-R212 VanDerWaalsContact O-N 3.08Å; R212-E214 VanDerWaalsContact C-N 3.35Å; R212-E214 PolarHBondContact O-N 3.47Å; R212-R215 PolarHBondContact O-N 2.96Å; R212-R215 VanDerWaalsContact O-N 3.11Å; R212-V216 WeakPolarHBondContact O-CG2 3.26Å; R212-V216 PolarHBondContact O-N 3.14Å
213	Y	40.3	Very low	43.5	Very low	147 Å²	147	122.1 Å²	122.1	58%	0.576	58%	0.578	S	S	*	*	H	α-helix	trans	-54.2	-46.6	174.2	-87.3	-78.5	0	0	0	112.7	K209 C210 R215 V216 L217	K209-Y213 WeakPolarHBondContact O-CD2 3.5Å; K209-Y213 PolarHBondContact O-N 2.65Å; C210-Y213 PolarHBondContact O-N 2.92Å; Y213-R215 VanDerWaalsContact C-N 3.31Å; Y213-R215 PolarHBondContact O-N 3.38Å; Y213-V216 PolarHBondContact O-N 3.43Å; Y213-V216 VanDerWaalsContact O-N 3.13Å; Y213-L217 WeakPolarHBondContact O-CB 3.46Å; Y213-L217 WeakPolarHBondContact O-CG 3.31Å; Y213-L217 PolarHBondContact O-N 3.37Å
214	E	46.6	Very low	43.7	Very low	96 Å²	96	122 Å²	122	45%	0.449	57%	0.57	S	S	.	*	H	α-helix	trans	-53.3	-45.6	174.1	-92.1	-65.9	112.4	0	0	112.5	C210 R212 L217 A218	C210-E214 PolarHBondContact O-N 3.11Å; R212-E214 VanDerWaalsContact C-N 3.35Å; R212-E214 PolarHBondContact O-N 3.47Å; E214-L217 PolarHBondContact O-N 3.11Å; E214-A218 VanDerWaalsContact O-CB 3.27Å; E214-A218 WeakPolarHBondContact O-CB 3.05Å; E214-A218 PolarHBondContact O-N 3.18Å
215	R	50.2	Low	43.8	Very low	164 Å²	164	123.7 Å²	123.7	62%	0.619	59%	0.59	S	S	*	*	H	α-helix	trans	-70.6	-32.6	178.3	-84	-179.8	-74.8	178.3	-7.2	113.2	R211 R212 Y213 A219	R211-R215 VanDerWaalsContact O-CZ 3.3Å; R211-R215 PolarHBondContact O-NE 3.39Å; R211-R215 PolarHBondContact O-NH2 2.93Å; R212-R215 PolarHBondContact O-N 2.96Å; R212-R215 VanDerWaalsContact O-N 3.11Å; Y213-R215 VanDerWaalsContact C-N 3.31Å; Y213-R215 PolarHBondContact O-N 3.38Å; R215-A219 VanDerWaalsContact O-CB 3.29Å; R215-A219 WeakPolarHBondContact O-CB 3.48Å; R215-A219 PolarHBondContact O-N 3.43Å
216	V	43.9	Very low	43.5	Very low	82 Å²	82	121.8 Å²	121.8	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-68.8	-46	173	172	0	0	0	0	110.3	R212 Y213 A218 A219 I220	R212-V216 WeakPolarHBondContact O-CG2 3.26Å; R212-V216 PolarHBondContact O-N 3.14Å; Y213-V216 PolarHBondContact O-N 3.43Å; Y213-V216 VanDerWaalsContact O-N 3.13Å; V216-A218 PolarHBondContact O-N 3.18Å; V216-A219 PolarHBondContact O-N 2.77Å; V216-I220 HydrophobicContact CG1-CD1 3.81Å; V216-I220 HydrophobicContact CG1-CG1 4.49Å; V216-I220 WeakPolarHBondContact O-CB 3.24Å; V216-I220 VanDerWaalsContact O-CG1 3.27Å; V216-I220 WeakPolarHBondContact O-CG1 3.39Å; V216-I220 PolarHBondContact O-N 2.72Å
217	L	43.1	Very low	43.3	Very low	75 Å²	75	126.8 Å²	126.8	39%	0.393	61%	0.609	S	S	.	*	H	α-helix	trans	-63	-40.8	175.7	-69.9	170.8	0	0	0	112	Y213 E214 I220 R221	Y213-L217 WeakPolarHBondContact O-CB 3.46Å; Y213-L217 WeakPolarHBondContact O-CG 3.31Å; Y213-L217 PolarHBondContact O-N 3.37Å; E214-L217 PolarHBondContact O-N 3.11Å; L217-I220 PolarHBondContact O-N 2.99Å; L217-R221 WeakPolarHBondContact O-CB 3.33Å; L217-R221 WeakPolarHBondContact O-CG 3.45Å; L217-R221 PolarHBondContact O-N 3.32Å
218	A	46.6	Very low	42.9	Very low	47 Å²	47	131.8 Å²	131.8	39%	0.388	63%	0.625	S	S	.	*	H	α-helix	trans	-64.2	-40	173.2	0	0	0	0	0	112.3	E214 V216 K222	E214-A218 VanDerWaalsContact O-CB 3.27Å; E214-A218 WeakPolarHBondContact O-CB 3.05Å; E214-A218 PolarHBondContact O-N 3.18Å; V216-A218 PolarHBondContact O-N 3.18Å; A218-K222 VanDerWaalsContact O-CB 3.27Å; A218-K222 WeakPolarHBondContact O-CB 3.44Å; A218-K222 PolarHBondContact O-N 3.1Å
219	A	45.6	Very low	42.5	Very low	63 Å²	63	130 Å²	130	52%	0.521	63%	0.627	S	S	.	*	H	α-helix	trans	-65.7	-40.9	174.6	0	0	0	0	0	112.1	R215 V216 K222 K223	R215-A219 VanDerWaalsContact O-CB 3.29Å; R215-A219 WeakPolarHBondContact O-CB 3.48Å; R215-A219 PolarHBondContact O-N 3.43Å; V216-A219 PolarHBondContact O-N 2.77Å; A219-K222 PolarHBondContact O-N 3.41Å; A219-K223 WeakPolarHBondContact O-CB 3.21Å; A219-K223 PolarHBondContact O-N 2.86Å
220	I	42.4	Very low	42	Very low	82 Å²	82	130.5 Å²	130.5	42%	0.421	63%	0.633	S	S	.	*	H	α-helix	trans	-61.3	-54.5	173.8	-71	165.9	0	0	0	110.1	V216 L217 K222 K223 F224	V216-I220 HydrophobicContact CG1-CD1 3.81Å; V216-I220 HydrophobicContact CG1-CG1 4.49Å; V216-I220 WeakPolarHBondContact O-CB 3.24Å; V216-I220 VanDerWaalsContact O-CG1 3.27Å; V216-I220 WeakPolarHBondContact O-CG1 3.39Å; V216-I220 PolarHBondContact O-N 2.72Å; L217-I220 PolarHBondContact O-N 2.99Å; I220-K222 VanDerWaalsContact C-N 3.25Å; I220-K222 PolarHBondContact O-N 3.48Å; I220-K223 WeakPolarHBondContact O-CA 3.48Å; I220-K223 WeakPolarHBondContact O-CB 3.46Å; I220-K223 PolarHBondContact O-N 3Å; I220-F224 HydrophobicContact CG2-CD2 3.81Å; I220-F224 HydrophobicContact CG2-CE2 4.03Å; I220-F224 WeakPolarHBondContact O-CD2 3.46Å; I220-F224 PolarHBondContact O-N 3.37Å
221	R	44.2	Very low	41.4	Very low	151 Å²	151	139.1 Å²	139.1	57%	0.57	66%	0.656	S	S	*	*	H	α-helix	trans	-49.8	-46.7	175	-72.9	165.9	-179.4	154.1	-1.4	111.2	L217 K223 F224 A225	L217-R221 WeakPolarHBondContact O-CB 3.33Å; L217-R221 WeakPolarHBondContact O-CG 3.45Å; L217-R221 PolarHBondContact O-N 3.32Å; R221-K223 VanDerWaalsContact C-N 3.31Å; R221-K223 PolarHBondContact O-N 3.37Å; R221-F224 PolarHBondContact O-N 3.23Å; R221-A225 WeakPolarHBondContact O-CB 3.36Å; R221-A225 PolarHBondContact O-N 2.84Å
222	K	49.7	Very low	40.7	Very low	185 Å²	185	139.9 Å²	139.9	80%	0.804	67%	0.666	S	S	*	*	H	α-helix	trans	-73	-16.2	179.9	-158.4	168.5	-172.5	174.3	0	114.4	A218 A219 I220	A218-K222 VanDerWaalsContact O-CB 3.27Å; A218-K222 WeakPolarHBondContact O-CB 3.44Å; A218-K222 PolarHBondContact O-N 3.1Å; A219-K222 PolarHBondContact O-N 3.41Å; I220-K222 VanDerWaalsContact C-N 3.25Å; I220-K222 PolarHBondContact O-N 3.48Å
223	K	42.9	Very low	40.1	Very low	180 Å²	180	138.1 Å²	138.1	78%	0.783	67%	0.671	S	S	*	*	H	α-helix	trans	-87	-30.9	173.1	-136.8	-172.9	-176.9	-168.5	0	112.7	A219 I220 R221	A219-K223 WeakPolarHBondContact O-CB 3.21Å; A219-K223 PolarHBondContact O-N 2.86Å; I220-K223 WeakPolarHBondContact O-CA 3.48Å; I220-K223 WeakPolarHBondContact O-CB 3.46Å; I220-K223 PolarHBondContact O-N 3Å; R221-K223 VanDerWaalsContact C-N 3.31Å; R221-K223 PolarHBondContact O-N 3.37Å
224	F	39.1	Very low	39.8	Very low	168 Å²	168	137.9 Å²	137.9	74%	0.737	68%	0.679	S	S	*	*	H	α-helix	trans	-97	-29.4	-177.8	-74.4	-77.4	0	0	0	114.4	I220 R221 G226	I220-F224 HydrophobicContact CG2-CD2 3.81Å; I220-F224 HydrophobicContact CG2-CE2 4.03Å; I220-F224 WeakPolarHBondContact O-CD2 3.46Å; I220-F224 PolarHBondContact O-N 3.37Å; R221-F224 PolarHBondContact O-N 3.23Å; F224-G226 PolarHBondContact O-N 3.15Å
225	A	38.5	Very low	39.5	Very low	96 Å²	96	141.4 Å²	141.4	79%	0.793	70%	0.701	S	S	*	*	S	Bend	trans	-75.9	36.9	175.9	0	0	0	0	0	113.6	R221	R221-A225 WeakPolarHBondContact O-CB 3.36Å; R221-A225 PolarHBondContact O-N 2.84Å
226	G	30	Very low	38.7	Very low	54 Å²	54	144.4 Å²	144.4	56%	0.557	71%	0.713	S	S	*	*	S	Bend	trans	-134.1	30.3	-158.9	0	0	0	0	0	116	F224	F224-G226 PolarHBondContact O-N 3.15Å
227	K	38.3	Very low	38.2	Very low	210 Å²	210	144.2 Å²	144.2	91%	0.913	72%	0.719	S	S	*	*			trans	-176	81.7	164.1	-107.7	170	-175.6	-175.4	0	111.5
228	Q	34.3	Very low	37.8	Very low	179 Å²	179	147 Å²	147	84%	0.836	73%	0.734	S	S	*	*			trans	-147.4	80.4	165.9	-157	165.6	13.3	0	0	110.1
229	E	33.7	Very low	37.2	Very low	194 Å²	194	152.5 Å²	152.5	91%	0.907	75%	0.752	S	S	*	*			trans	-72.3	158.6	165.4	-82.6	-175.9	119.3	0	0	110.7
230	M	30.6	Very low	36.5	Very low	171 Å²	171	153.6 Å²	153.6	84%	0.842	76%	0.756	S	S	*	*			trans	-64.6	148	-169.1	-52.9	175.1	-171.3	0	0	113.5
231	R	34.4	Very low	36.1	Very low	248 Å²	248	158.1 Å²	158.1	94%	0.936	78%	0.775	S	S	*	*				-155.3	140	112.8	-105.9	158.9	-162.1	-117.8	0.6	111.9
232	Q	30.5	Very low	35.7	Very low	159 Å²	159	157.9 Å²	157.9	74%	0.743	78%	0.78	S	S	*	*			trans	-75.7	155.3	163.2	-61.2	158.1	-105.7	0	0	108.5
233	D	36.6	Very low	35.1	Very low	150 Å²	150	155.5 Å²	155.5	80%	0.802	78%	0.776	S	S	*	*				-169	161.1	100.4	-93.8	-13.2	0	0	0	112.2
234	D	34.7	Very low	34.7	Very low	141 Å²	141	154.9 Å²	154.9	75%	0.754	78%	0.776	S	S	*	*			trans	-61.1	149.3	-173.9	-57	-55.9	0	0	0	113.5
235	N	39.5	Very low	34.8	Very low	170 Å²	170	149.6 Å²	149.6	91%	0.909	76%	0.76	S	S	*	*				-160.2	168.9	103.5	-109.1	-76	0	0	0	114.1
236	R	34	Very low	34.7	Very low	228 Å²	228	150.1 Å²	150.1	86%	0.86	75%	0.75	S	S	*	*			trans	-128.7	137.2	-151.6	-169	-172.8	-170.6	-172.2	4.4	112.4
237	A	34.4	Very low	34.9	Very low	77 Å²	77	153.6 Å²	153.6	64%	0.636	76%	0.755	S	S	*	*			trans	60.4	131.7	161.6	0	0	0	0	0	117.1
238	N	34.6	Very low	34.9	Very low	133 Å²	133	148.2 Å²	148.2	71%	0.711	74%	0.736	S	S	*	*				-170.9	169.1	79.5	-89.4	-39.3	0	0	0	112.3
239	H	32.5	Very low	35.1	Very low	164 Å²	164	141.9 Å²	141.9	76%	0.759	72%	0.715	S	S	*	*			trans	11.3	140.5	143.7	-48.7	-54.4	0	0	0	119.5
240	S	32.1	Very low	35.5	Very low	86 Å²	86	136.2 Å²	136.2	60%	0.601	69%	0.693	S	S	*	*			cis	-176.7	163.5	3.1	40.2	0	0	0	0	111.1
241	E	33.6	Very low	36.3	Very low	176 Å²	176	129.4 Å²	129.4	82%	0.822	66%	0.66	S	S	*	*			trans	51.9	64	151.3	-66.8	174.9	167.2	0	0	117.4
242	H	36.2	Very low	36.9	Very low	146 Å²	146	121.4 Å²	121.4	68%	0.676	64%	0.636	S	S	*	*			trans	-148.1	15.9	167.4	-106.2	-66.5	0	0	0	116.6	E244 S245	H242-E244 VanDerWaalsContact C-N 3.29Å; H242-E244 PolarHBondContact O-N 2.94Å; H242-S245 PolarHBondContact ND1-OG 2.81Å; H242-S245 VanDerWaalsContact O-CB 3.26Å; H242-S245 WeakPolarHBondContact O-CB 3.35Å; H242-S245 PolarHBondContact O-N 3.18Å; H242-S245 PolarHBondContact O-OG 2.86Å
243	D	36.7	Very low	37.8	Very low	136 Å²	136	116.1 Å²	116.1	73%	0.727	61%	0.614	S	S	*	*	H	α-helix	trans	-58.6	-23.5	-169.8	-68.7	-46.1	0	0	0	116.6	S245	D243-S245 PolarHBondContact O-N 3.31Å
244	E	34.9	Very low	38.3	Very low	166 Å²	166	111.3 Å²	111.3	78%	0.776	59%	0.59	S	S	*	*	H	α-helix	trans	-67.6	-17.4	173.3	-69.3	-166.4	129.4	0	0	113.1	H242 N248	H242-E244 VanDerWaalsContact C-N 3.29Å; H242-E244 PolarHBondContact O-N 2.94Å; E244-N248 PolarHBondContact O-ND2 3.28Å
245	S	40.9	Very low	39	Very low	58 Å²	58	107.2 Å²	107.2	41%	0.406	56%	0.564	S	S	.	*	H	α-helix	trans	-77.5	-48.6	-177.8	-31.8	0	0	0	0	111.3	H242 D243 N248 A249	H242-S245 PolarHBondContact ND1-OG 2.81Å; H242-S245 VanDerWaalsContact O-CB 3.26Å; H242-S245 WeakPolarHBondContact O-CB 3.35Å; H242-S245 PolarHBondContact O-N 3.18Å; H242-S245 PolarHBondContact O-OG 2.86Å; D243-S245 PolarHBondContact O-N 3.31Å; S245-N248 PolarHBondContact O-N 3.26Å; S245-A249 PolarHBondContact O-N 3.14Å
246	D	36.4	Very low	39.6	Very low	107 Å²	107	102.1 Å²	102.1	57%	0.572	53%	0.532	S	S	*	.	H	α-helix	trans	-71.7	-31.7	-176.6	-83.2	-37.4	0	0	0	112.3	N248 A249 V250	D246-N248 VanDerWaalsContact C-N 3.29Å; D246-N248 PolarHBondContact O-N 3.32Å; D246-A249 PolarHBondContact O-N 3.24Å; D246-V250 WeakPolarHBondContact O-CB 3.38Å; D246-V250 WeakPolarHBondContact O-CG2 3.48Å; D246-V250 PolarHBondContact O-N 2.88Å
247	L	34.3	Very low	40.6	Very low	126 Å²	126	98.2 Å²	98.2	66%	0.66	52%	0.518	S	S	*	.	H	α-helix	trans	-57.3	-42.4	171.7	-82.3	166.6	0	0	0	111.9	D251	L247-D251 WeakPolarHBondContact O-CB 3.31Å; L247-D251 PolarHBondContact O-N 3.47Å
248	N	37.8	Very low	41.3	Very low	98 Å²	98	95.6 Å²	95.6	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-68.3	-37	176.6	-78	-77.3	0	0	0	112.6	E244 S245 D246 D251 D252	E244-N248 PolarHBondContact O-ND2 3.28Å; S245-N248 PolarHBondContact O-N 3.26Å; D246-N248 VanDerWaalsContact C-N 3.29Å; D246-N248 PolarHBondContact O-N 3.32Å; N248-D251 WeakPolarHBondContact O-CB 3.44Å; N248-D251 PolarHBondContact O-N 2.93Å; N248-D252 PolarHBondContact O-N 2.87Å
249	A	39.7	Very low	42.1	Very low	46 Å²	46	90.1 Å²	90.1	38%	0.38	46%	0.463	S	S	.	.	H	α-helix	trans	-71.1	-37.5	177.8	0	0	0	0	0	113	S245 D246 D251 T253	S245-A249 PolarHBondContact O-N 3.14Å; D246-A249 PolarHBondContact O-N 3.24Å; A249-D251 VanDerWaalsContact C-N 3.34Å; A249-T253 WeakPolarHBondContact O-CB 3.47Å; A249-T253 PolarHBondContact O-N 3.18Å; A249-T253 VanDerWaalsContact O-N 3.12Å; A249-T253 PolarHBondContact O-OG1 2.88Å
250	V	40.3	Very low	43.2	Very low	75 Å²	75	88.9 Å²	88.9	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-46.2	169.9	168.4	0	0	0	0	109.7	D246 T253 V254	D246-V250 WeakPolarHBondContact O-CB 3.38Å; D246-V250 WeakPolarHBondContact O-CG2 3.48Å; D246-V250 PolarHBondContact O-N 2.88Å; V250-T253 PolarHBondContact O-N 2.96Å; V250-T253 VanDerWaalsContact O-N 3.11Å; V250-V254 HydrophobicContact CG1-CG2 4.4Å; V250-V254 WeakPolarHBondContact O-CG2 3.42Å; V250-V254 PolarHBondContact O-N 2.96Å
251	D	47.4	Very low	44	Very low	27 Å²	27	86.3 Å²	86.3	14%	0.144	44%	0.437	C	S	.	.	H	α-helix	trans	-58	-52.2	177.7	-145.9	61.8	0	0	0	110.7	L247 N248 A249 T253 V254 R255 L333 A336	L247-D251 WeakPolarHBondContact O-CB 3.31Å; L247-D251 PolarHBondContact O-N 3.47Å; N248-D251 WeakPolarHBondContact O-CB 3.44Å; N248-D251 PolarHBondContact O-N 2.93Å; A249-D251 VanDerWaalsContact C-N 3.34Å; D251-T253 PolarHBondContact O-N 3.43Å; D251-T253 VanDerWaalsContact O-N 3.12Å; D251-V254 PolarHBondContact O-N 3.3Å; D251-R255 WeakPolarHBondContact O-CB 3.35Å; D251-R255 WeakPolarHBondContact O-CG 3.43Å; D251-R255 PolarHBondContact O-N 3.24Å; D251-R255 IonicContact OD2-CZ 3.97Å; D251-R255 IonicContact OD2-NE 2.89Å; D251-R255 PolarHBondContact OD2-NE 3.44Å; D251-R255 IonicContact OD2-NH2 2.74Å; D251-R255 PolarHBondContact OD2-NH2 2.81Å; D251-L333 WeakPolarHBondContact OD1-CD1 3.49Å; D251-A336 WeakPolarHBondContact OD2-CB 3.14Å
252	D	48.3	Very low	44.7	Very low	80 Å²	80	78.6 Å²	78.6	43%	0.428	40%	0.401	S	S	.	.	H	α-helix	trans	-58.9	-25.1	175.9	-92.2	-33	0	0	0	114.9	N248 R255 R256	N248-D252 PolarHBondContact O-N 2.87Å; D252-R255 IonicContact OD1-CZ 3.63Å; D252-R255 IonicContact OD1-NE 3.58Å; D252-R255 IonicContact OD1-NH1 3.8Å; D252-R255 PolarHBondContact OD1-NH1 3.31Å; D252-R255 IonicContact OD2-NH1 2.6Å; D252-R256 WeakPolarHBondContact O-CB 3.38Å; D252-R256 VanDerWaalsContact O-CG 3.29Å; D252-R256 WeakPolarHBondContact O-CG 3.31Å; D252-R256 PolarHBondContact O-N 3.32Å; D252-R256 PolarHBondContact O-NE 3.49Å
253	T	48.1	Very low	45.3	Very low	48 Å²	48	76.3 Å²	76.3	29%	0.294	40%	0.401	S	S	.	.	H	α-helix	trans	-83.9	-40.4	178.5	-51.3	0	0	0	0	111.4	A249 V250 D251 R256 W257	A249-T253 WeakPolarHBondContact O-CB 3.47Å; A249-T253 PolarHBondContact O-N 3.18Å; A249-T253 VanDerWaalsContact O-N 3.12Å; A249-T253 PolarHBondContact O-OG1 2.88Å; V250-T253 PolarHBondContact O-N 2.96Å; V250-T253 VanDerWaalsContact O-N 3.11Å; D251-T253 PolarHBondContact O-N 3.43Å; D251-T253 VanDerWaalsContact O-N 3.12Å; T253-R256 PolarHBondContact O-N 3.48Å; T253-R256 PolarHBondContact OG1-NH2 3.48Å; T253-W257 PolarHBondContact O-N 2.82Å
254	V	48	Very low	46.1	Very low	49 Å²	49	73.7 Å²	73.7	30%	0.297	40%	0.398	S	S	.	.	H	α-helix	trans	-65.5	-39.9	171.6	175.7	0	0	0	0	110.7	V250 D251 W257 L258 L333 L337	V250-V254 HydrophobicContact CG1-CG2 4.4Å; V250-V254 WeakPolarHBondContact O-CG2 3.42Å; V250-V254 PolarHBondContact O-N 2.96Å; D251-V254 PolarHBondContact O-N 3.3Å; V254-W257 PolarHBondContact O-N 3.02Å; V254-L258 HydrophobicContact CG1-CD1 3.86Å; V254-L258 WeakPolarHBondContact O-CB 3.48Å; V254-L258 PolarHBondContact O-N 3.22Å; V254-L333 HydrophobicContact CG1-CD1 4.19Å; V254-L337 HydrophobicContact CG1-CD1 4.44Å; V254-L337 HydrophobicContact CG1-CD2 4.32Å
255	R	48.5	Very low	46.8	Very low	56 Å²	56	69.6 Å²	69.6	21%	0.211	38%	0.379	C	S	.	.	H	α-helix	trans	-56.8	-51.7	169.5	-67.3	171.7	-151.3	169.5	-0.8	111.3	D251 D252 W257 L258 Q259 L337 S340	D251-R255 WeakPolarHBondContact O-CB 3.35Å; D251-R255 WeakPolarHBondContact O-CG 3.43Å; D251-R255 PolarHBondContact O-N 3.24Å; D251-R255 IonicContact OD2-CZ 3.97Å; D251-R255 IonicContact OD2-NE 2.89Å; D251-R255 PolarHBondContact OD2-NE 3.44Å; D251-R255 IonicContact OD2-NH2 2.74Å; D251-R255 PolarHBondContact OD2-NH2 2.81Å; D252-R255 IonicContact OD1-CZ 3.63Å; D252-R255 IonicContact OD1-NE 3.58Å; D252-R255 IonicContact OD1-NH1 3.8Å; D252-R255 PolarHBondContact OD1-NH1 3.31Å; D252-R255 IonicContact OD2-NH1 2.6Å; R255-W257 PolarHBondContact O-N 2.9Å; R255-L258 PolarHBondContact O-N 3.24Å; R255-Q259 VanDerWaalsContact O-CB 3.24Å; R255-Q259 WeakPolarHBondContact O-CB 3.45Å; R255-Q259 PolarHBondContact O-N 2.97Å; R255-L337 HydrophobicContact CB-CD2 4.38Å; R255-L337 HydrophobicContact CG-CD2 4.1Å; R255-S340 WeakPolarHBondContact CG-OG 3.38Å
256	R	52.1	Low	47.1	Very low	63 Å²	63	76.9 Å²	76.9	24%	0.238	41%	0.407	C	S	.	.	H	α-helix	trans	-57.4	-47.1	176.4	-82.8	-178.6	-70.2	143.3	-4.3	112.7	D252 T253 Q259 K260 M345 E351	D252-R256 WeakPolarHBondContact O-CB 3.38Å; D252-R256 VanDerWaalsContact O-CG 3.29Å; D252-R256 WeakPolarHBondContact O-CG 3.31Å; D252-R256 PolarHBondContact O-N 3.32Å; D252-R256 PolarHBondContact O-NE 3.49Å; T253-R256 PolarHBondContact O-N 3.48Å; T253-R256 PolarHBondContact OG1-NH2 3.48Å; R256-Q259 PolarHBondContact O-N 3.38Å; R256-K260 WeakPolarHBondContact O-CB 3.42Å; R256-K260 PolarHBondContact O-N 2.99Å; R256-M345 HydrophobicContact CB-SD 3.96Å; R256-M345 HydrophobicContact CG-SD 3.83Å; R256-E351 IonicContact CZ-OE1 3.96Å; R256-E351 IonicContact NH1-OE1 3.9Å; R256-E351 PolarHBondContact NH1-OE1 2.99Å; R256-E351 IonicContact NH1-OE2 3.82Å; R256-E351 IonicContact NH2-OE1 3.25Å; R256-E351 PolarHBondContact NH2-OE1 2.9Å
257	W	55.8	Low	48.2	Very low	146 Å²	146	76.3 Å²	76.3	55%	0.553	40%	0.404	S	S	*	.	H	α-helix	trans	-62.8	-50.6	179.9	178.1	75.7	0	0	0	111.7	M176 T253 V254 R255 Q259 K260 S261	M176-W257 HydrophobicContact SD-CH2 4.23Å; T253-W257 PolarHBondContact O-N 2.82Å; V254-W257 PolarHBondContact O-N 3.02Å; R255-W257 PolarHBondContact O-N 2.9Å; W257-Q259 VanDerWaalsContact C-N 3.31Å; W257-Q259 PolarHBondContact O-N 3.12Å; W257-K260 WeakPolarHBondContact O-CB 3.5Å; W257-K260 PolarHBondContact O-N 3.13Å; W257-K260 VanDerWaalsContact O-N 3.13Å; W257-S261 PolarHBondContact O-N 2.94Å; W257-S261 PolarHBondContact O-OG 3.41Å
258	L	49.3	Very low	49.2	Very low	21 Å²	21	77 Å²	77	11%	0.11	40%	0.397	C	S	.	.	H	α-helix	trans	-63.2	-36.1	177.7	-84.8	155.5	0	0	0	112.3	V254 R255 S261 L262 F271 F275 L337	V254-L258 HydrophobicContact CG1-CD1 3.86Å; V254-L258 WeakPolarHBondContact O-CB 3.48Å; V254-L258 PolarHBondContact O-N 3.22Å; R255-L258 PolarHBondContact O-N 3.24Å; L258-S261 PolarHBondContact O-N 3.49Å; L258-L262 VanDerWaalsContact O-CB 3.3Å; L258-L262 WeakPolarHBondContact O-CB 3.38Å; L258-L262 WeakPolarHBondContact O-CD1 3.28Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 2.75Å; L258-F271 HydrophobicContact CD2-CZ 3.75Å; L258-F275 HydrophobicContact CD1-CZ 4.19Å; L258-F275 HydrophobicContact CD2-CE2 3.99Å; L258-F275 HydrophobicContact CD2-CZ 4.1Å; L258-L337 HydrophobicContact CB-CD2 3.95Å; L258-L337 HydrophobicContact CD1-CD1 3.54Å; L258-L337 HydrophobicContact CD1-CD2 3.42Å; L258-L337 VanDerWaalsContact CD1-CD2 3.42Å; L258-L337 HydrophobicContact CD1-CG 4.11Å; L258-L337 HydrophobicContact CG-CD2 4.29Å
259	Q	52.2	Low	50.2	Low	19 Å²	19	77.6 Å²	77.6	9%	0.089	40%	0.397	C	S	.	.	H	α-helix	trans	-65.8	-38.7	174.1	-164.4	177.6	45.8	0	0	112	R255 R256 W257 S261 L262 C263 S340 V341 L343	R255-Q259 VanDerWaalsContact O-CB 3.24Å; R255-Q259 WeakPolarHBondContact O-CB 3.45Å; R255-Q259 PolarHBondContact O-N 2.97Å; R256-Q259 PolarHBondContact O-N 3.38Å; W257-Q259 VanDerWaalsContact C-N 3.31Å; W257-Q259 PolarHBondContact O-N 3.12Å; Q259-S261 VanDerWaalsContact C-N 3.35Å; Q259-L262 WeakPolarHBondContact O-CB 3.46Å; Q259-L262 PolarHBondContact O-N 3.17Å; Q259-C263 PolarHBondContact O-N 3.42Å; Q259-C263 PolarHBondContact O-SG 3.11Å; Q259-C263 VanDerWaalsContact O-SG 3.38Å; Q259-S340 PolarHBondContact NE2-O 3.2Å; Q259-V341 PolarHBondContact NE2-O 3.3Å; Q259-V341 VanDerWaalsContact NE2-O 3.09Å; Q259-L343 PolarHBondContact NE2-O 3.31Å
260	K	55	Low	51.2	Low	138 Å²	138	76.9 Å²	76.9	60%	0.6	39%	0.391	S	S	*	.	H	α-helix	trans	-62.1	-41.7	173.5	-139.3	173	-174.1	178.3	0	111.2	R256 W257 C263 A264 M345	R256-K260 WeakPolarHBondContact O-CB 3.42Å; R256-K260 PolarHBondContact O-N 2.99Å; W257-K260 WeakPolarHBondContact O-CB 3.5Å; W257-K260 PolarHBondContact O-N 3.13Å; W257-K260 VanDerWaalsContact O-N 3.13Å; K260-C263 PolarHBondContact O-N 2.83Å; K260-A264 WeakPolarHBondContact O-CB 3.48Å; K260-A264 PolarHBondContact O-N 3.2Å; K260-M345 HydrophobicContact CD-CE 3.98Å; K260-M345 HydrophobicContact CG-CE 4.31Å
261	S	49.5	Very low	52	Low	31 Å²	31	74.4 Å²	74.4	22%	0.217	37%	0.374	C	S	.	.	H	α-helix	trans	-68.2	-38	174	-58.6	0	0	0	0	113.5	W257 L258 Q259 C263 A264 Q265	W257-S261 PolarHBondContact O-N 2.94Å; W257-S261 PolarHBondContact O-OG 3.41Å; L258-S261 PolarHBondContact O-N 3.49Å; Q259-S261 VanDerWaalsContact C-N 3.35Å; S261-C263 VanDerWaalsContact C-N 3.31Å; S261-C263 PolarHBondContact O-N 3.38Å; S261-A264 PolarHBondContact O-N 2.95Å; S261-A264 VanDerWaalsContact O-N 3.17Å; S261-Q265 PolarHBondContact O-N 3.4Å
262	L	46.9	Very low	52.6	Low	14 Å²	14	78 Å²	78	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-63.3	-33.9	174.5	-94.7	153.5	0	0	0	113	L258 Q259 R268 F271 V341	L258-L262 VanDerWaalsContact O-CB 3.3Å; L258-L262 WeakPolarHBondContact O-CB 3.38Å; L258-L262 WeakPolarHBondContact O-CD1 3.28Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 2.75Å; Q259-L262 WeakPolarHBondContact O-CB 3.46Å; Q259-L262 PolarHBondContact O-N 3.17Å; L262-R268 HydrophobicContact CD2-CG 4.37Å; L262-F271 HydrophobicContact CD1-CD1 4.37Å; L262-F271 HydrophobicContact CD1-CE1 3.89Å; L262-F271 HydrophobicContact CD2-CB 4.36Å; L262-F271 HydrophobicContact CD2-CD1 3.32Å; L262-F271 HydrophobicContact CD2-CE1 3.72Å; L262-F271 HydrophobicContact CD2-CG 3.91Å; L262-F271 HydrophobicContact CG-CD1 3.69Å; L262-F271 HydrophobicContact CG-CE1 3.55Å; L262-F271 HydrophobicContact CG-CG 4.29Å; L262-F271 HydrophobicContact CG-CZ 4.06Å; L262-V341 HydrophobicContact CD1-CB 4.34Å; L262-V341 HydrophobicContact CD1-CG1 3.96Å; L262-V341 HydrophobicContact CD1-CG2 3.58Å; L262-V341 HydrophobicContact CD2-CG1 4.34Å
263	C	48.3	Very low	53.3	Low	98 Å²	98	81.2 Å²	81.2	66%	0.662	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.4	175	-69.1	0	0	0	0	113.4	Q259 K260 S261	Q259-C263 PolarHBondContact O-N 3.42Å; Q259-C263 PolarHBondContact O-SG 3.11Å; Q259-C263 VanDerWaalsContact O-SG 3.38Å; K260-C263 PolarHBondContact O-N 2.83Å; S261-C263 VanDerWaalsContact C-N 3.31Å; S261-C263 PolarHBondContact O-N 3.38Å
264	A	53.5	Low	54	Low	82 Å²	82	84.8 Å²	84.8	68%	0.678	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.1	-180	0	0	0	0	0	114.1	K260 S261	K260-A264 WeakPolarHBondContact O-CB 3.48Å; K260-A264 PolarHBondContact O-N 3.2Å; S261-A264 PolarHBondContact O-N 2.95Å; S261-A264 VanDerWaalsContact O-N 3.17Å
265	Q	50.3	Low	54.5	Low	79 Å²	79	84 Å²	84	37%	0.369	40%	0.403	S	S	.	.			trans	-102.6	126.5	175	-68.6	-169.7	4.4	0	0	111.2	S261 D267	S261-Q265 PolarHBondContact O-N 3.4Å; Q265-D267 PolarHBondContact O-N 3.27Å
266	E	47.1	Very low	55.2	Low	212 Å²	212	85.5 Å²	85.5	99%	0.991	42%	0.415	S	S	*	.	S	Bend	trans	-63.2	-23.3	177.1	-60.4	-175.3	131.7	0	0	112.8
267	D	60.3	Low	55.7	Low	94 Å²	94	86.3 Å²	86.3	50%	0.503	43%	0.429	S	S	.	.			trans	-107.6	76.3	177.3	-164.5	-14.6	0	0	0	112.5	Q265 E269 A270 F271	Q265-D267 PolarHBondContact O-N 3.27Å; D267-E269 PolarHBondContact O-N 2.99Å; D267-E269 PolarHBondContact OD1-N 3.26Å; D267-A270 HydrophobicContact CB-CB 3.97Å; D267-A270 PolarHBondContact O-N 2.66Å; D267-A270 WeakPolarHBondContact OD1-CB 3.43Å; D267-A270 PolarHBondContact OD1-N 3.05Å; D267-A270 WeakPolarHBondContact OD2-CB 3.47Å; D267-F271 PolarHBondContact O-N 3.21Å; D267-F271 VanDerWaalsContact O-N 3.14Å
268	R	55	Low	55.9	Low	140 Å²	140	83.8 Å²	83.8	53%	0.528	43%	0.426	S	S	.	.	H	α-helix	trans	-59.7	-28.2	177.1	-156	177.4	-172.2	-170.4	1.8	112.8	L262 K272	L262-R268 HydrophobicContact CD2-CG 4.37Å; R268-K272 VanDerWaalsContact O-CB 3.3Å; R268-K272 WeakPolarHBondContact O-CB 3.44Å; R268-K272 PolarHBondContact O-N 3.45Å; R268-K272 VanDerWaalsContact O-N 3.14Å
269	E	59.2	Low	56.5	Low	112 Å²	112	87.4 Å²	87.4	52%	0.523	44%	0.438	S	S	.	.	H	α-helix	trans	-80.1	-37.4	176.8	-75.9	-63.3	144.8	0	0	112.2	D267 F271 K272 K273	D267-E269 PolarHBondContact O-N 2.99Å; D267-E269 PolarHBondContact OD1-N 3.26Å; E269-F271 VanDerWaalsContact C-N 3.31Å; E269-F271 PolarHBondContact O-N 3.12Å; E269-K272 PolarHBondContact O-N 3.32Å; E269-K272 IonicContact OE1-NZ 3.68Å; E269-K272 PolarHBondContact OE1-NZ 2.94Å; E269-K272 IonicContact OE2-NZ 3.63Å; E269-K272 PolarHBondContact OE2-NZ 3.13Å; E269-K273 WeakPolarHBondContact O-CB 3.44Å; E269-K273 PolarHBondContact O-N 3.09Å
270	A	60.2	Low	57.2	Low	30 Å²	30	89.2 Å²	89.2	25%	0.248	45%	0.453	C	S	.	.	H	α-helix	trans	-63.9	-35.9	171.5	0	0	0	0	0	112.2	D267 K274	D267-A270 HydrophobicContact CB-CB 3.97Å; D267-A270 PolarHBondContact O-N 2.66Å; D267-A270 WeakPolarHBondContact OD1-CB 3.43Å; D267-A270 PolarHBondContact OD1-N 3.05Å; D267-A270 WeakPolarHBondContact OD2-CB 3.47Å; A270-K274 VanDerWaalsContact O-CG 3.31Å; A270-K274 WeakPolarHBondContact O-CG 3.49Å; A270-K274 PolarHBondContact O-N 3.48Å
271	F	57.2	Low	57.7	Low	24 Å²	24	85.5 Å²	85.5	11%	0.105	45%	0.448	C	S	.	.	H	α-helix	trans	-63.8	-52.4	172	-171.8	-78.7	0	0	0	111.6	L258 L262 D267 E269 K273 K274 F275	L258-F271 HydrophobicContact CD2-CZ 3.75Å; L262-F271 HydrophobicContact CD1-CD1 4.37Å; L262-F271 HydrophobicContact CD1-CE1 3.89Å; L262-F271 HydrophobicContact CD2-CB 4.36Å; L262-F271 HydrophobicContact CD2-CD1 3.32Å; L262-F271 HydrophobicContact CD2-CE1 3.72Å; L262-F271 HydrophobicContact CD2-CG 3.91Å; L262-F271 HydrophobicContact CG-CD1 3.69Å; L262-F271 HydrophobicContact CG-CE1 3.55Å; L262-F271 HydrophobicContact CG-CG 4.29Å; L262-F271 HydrophobicContact CG-CZ 4.06Å; D267-F271 PolarHBondContact O-N 3.21Å; D267-F271 VanDerWaalsContact O-N 3.14Å; E269-F271 VanDerWaalsContact C-N 3.31Å; E269-F271 PolarHBondContact O-N 3.12Å; F271-K273 VanDerWaalsContact C-N 3.27Å; F271-K273 PolarHBondContact O-N 3.43Å; F271-K274 WeakPolarHBondContact O-CA 3.47Å; F271-K274 WeakPolarHBondContact O-CB 3.39Å; F271-K274 PolarHBondContact O-N 2.98Å; F271-F275 HydrophobicContact CD1-CD2 4.03Å; F271-F275 AromaticContact CE1-CD2 3.31Å; F271-F275 HydrophobicContact CE1-CD2 3.31Å; F271-F275 AromaticContact CE1-CE2 3.5Å; F271-F275 HydrophobicContact CE1-CE2 3.5Å; F271-F275 HydrophobicContact CE1-CG 4.23Å; F271-F275 AromaticContact CZ-CD2 3.81Å; F271-F275 HydrophobicContact CZ-CD2 3.81Å; F271-F275 AromaticContact CZ-CE2 3.59Å; F271-F275 HydrophobicContact CZ-CE2 3.59Å; F271-F275 PolarHBondContact O-N 3.43Å
272	K	60.7	Low	58.4	Low	102 Å²	102	84.9 Å²	84.9	44%	0.443	44%	0.442	S	S	.	.	H	α-helix	trans	-56.1	-39.6	176.6	176.9	176.8	159.2	-146.8	0	112.3	R268 E269 F275 L276	R268-K272 VanDerWaalsContact O-CB 3.3Å; R268-K272 WeakPolarHBondContact O-CB 3.44Å; R268-K272 PolarHBondContact O-N 3.45Å; R268-K272 VanDerWaalsContact O-N 3.14Å; E269-K272 PolarHBondContact O-N 3.32Å; E269-K272 IonicContact OE1-NZ 3.68Å; E269-K272 PolarHBondContact OE1-NZ 2.94Å; E269-K272 IonicContact OE2-NZ 3.63Å; E269-K272 PolarHBondContact OE2-NZ 3.13Å; K272-F275 WeakPolarHBondContact O-CB 3.48Å; K272-F275 PolarHBondContact O-N 2.79Å; K272-L276 HydrophobicContact CG-CD1 4.41Å; K272-L276 WeakPolarHBondContact O-CG 3.48Å; K272-L276 PolarHBondContact O-N 2.88Å
273	K	62.4	Low	59.3	Low	148 Å²	148	87.4 Å²	87.4	64%	0.643	46%	0.461	S	S	*	.	H	α-helix	trans	-65.1	-39.2	174.2	-169.6	173.1	-176.1	176	0	112.7	E269 F271 C277	E269-K273 WeakPolarHBondContact O-CB 3.44Å; E269-K273 PolarHBondContact O-N 3.09Å; F271-K273 VanDerWaalsContact C-N 3.27Å; F271-K273 PolarHBondContact O-N 3.43Å; K273-C277 PolarHBondContact O-N 2.9Å; K273-C277 PolarHBondContact O-SG 3.03Å
274	K	62.3	Low	60.2	Low	122 Å²	122	87.8 Å²	87.8	53%	0.53	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-42.8	171.3	-70.5	164.4	-175.4	171.1	0	111.2	A270 F271 C277 I278	A270-K274 VanDerWaalsContact O-CG 3.31Å; A270-K274 WeakPolarHBondContact O-CG 3.49Å; A270-K274 PolarHBondContact O-N 3.48Å; F271-K274 WeakPolarHBondContact O-CA 3.47Å; F271-K274 WeakPolarHBondContact O-CB 3.39Å; F271-K274 PolarHBondContact O-N 2.98Å; K274-C277 WeakPolarHBondContact O-CB 3.46Å; K274-C277 PolarHBondContact O-N 3.34Å; K274-I278 WeakPolarHBondContact O-CG1 3.47Å; K274-I278 PolarHBondContact O-N 2.95Å
275	F	59.6	Low	60.8	Low	32 Å²	32	86.5 Å²	86.5	14%	0.14	44%	0.435	C	S	.	.	H	α-helix	trans	-61	-47.7	176.1	-112.3	-103.8	0	0	0	112.4	L258 F271 K272 C277 I278 Y279 I334 L337	L258-F275 HydrophobicContact CD1-CZ 4.19Å; L258-F275 HydrophobicContact CD2-CE2 3.99Å; L258-F275 HydrophobicContact CD2-CZ 4.1Å; F271-F275 HydrophobicContact CD1-CD2 4.03Å; F271-F275 AromaticContact CE1-CD2 3.31Å; F271-F275 HydrophobicContact CE1-CD2 3.31Å; F271-F275 AromaticContact CE1-CE2 3.5Å; F271-F275 HydrophobicContact CE1-CE2 3.5Å; F271-F275 HydrophobicContact CE1-CG 4.23Å; F271-F275 AromaticContact CZ-CD2 3.81Å; F271-F275 HydrophobicContact CZ-CD2 3.81Å; F271-F275 AromaticContact CZ-CE2 3.59Å; F271-F275 HydrophobicContact CZ-CE2 3.59Å; F271-F275 PolarHBondContact O-N 3.43Å; K272-F275 WeakPolarHBondContact O-CB 3.48Å; K272-F275 PolarHBondContact O-N 2.79Å; F275-C277 VanDerWaalsContact C-N 3.28Å; F275-C277 PolarHBondContact O-N 3.28Å; F275-I278 PolarHBondContact O-N 2.78Å; F275-Y279 PolarHBondContact O-N 2.66Å; F275-I334 HydrophobicContact CD1-CG2 4.08Å; F275-I334 HydrophobicContact CE1-CG2 4.23Å; F275-L337 HydrophobicContact CE1-CB 4.01Å; F275-L337 HydrophobicContact CE1-CD1 4.04Å; F275-L337 HydrophobicContact CZ-CD1 4.08Å
276	L	62.2	Low	61.5	Low	88 Å²	88	83.4 Å²	83.4	46%	0.461	42%	0.422	S	S	.	.	H	α-helix	trans	-59.8	-35.7	174.9	-71.7	168.4	0	0	0	112.7	K272 S280	K272-L276 HydrophobicContact CG-CD1 4.41Å; K272-L276 WeakPolarHBondContact O-CG 3.48Å; K272-L276 PolarHBondContact O-N 2.88Å; L276-S280 VanDerWaalsContact O-CB 3.28Å; L276-S280 WeakPolarHBondContact O-CB 3.49Å; L276-S280 PolarHBondContact O-N 3.29Å
277	C	62.9	Low	62.7	Low	81 Å²	81	79.2 Å²	79.2	55%	0.547	40%	0.4	S	S	.	.	H	α-helix	trans	-65.7	-40.6	172.2	-72	0	0	0	0	112.6	K273 K274 F275 A281	K273-C277 PolarHBondContact O-N 2.9Å; K273-C277 PolarHBondContact O-SG 3.03Å; K274-C277 WeakPolarHBondContact O-CB 3.46Å; K274-C277 PolarHBondContact O-N 3.34Å; F275-C277 VanDerWaalsContact C-N 3.28Å; F275-C277 PolarHBondContact O-N 3.28Å; C277-A281 WeakPolarHBondContact O-CB 3.4Å; C277-A281 PolarHBondContact O-N 2.99Å
278	I	60	Low	63.1	Low	93 Å²	93	80.7 Å²	80.7	48%	0.477	40%	0.399	S	S	.	.	H	α-helix	trans	-66.9	-44.6	176.5	-65.6	164.1	0	0	0	110.5	K274 F275 A281 N282 I334	K274-I278 WeakPolarHBondContact O-CG1 3.47Å; K274-I278 PolarHBondContact O-N 2.95Å; F275-I278 PolarHBondContact O-N 2.78Å; I278-A281 PolarHBondContact O-N 3.03Å; I278-N282 WeakPolarHBondContact O-CB 3.47Å; I278-N282 PolarHBondContact O-N 3.24Å; I278-I334 HydrophobicContact CG2-CD1 3.96Å
279	Y	62.2	Low	63.8	Low	96 Å²	96	76.1 Å²	76.1	38%	0.376	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-47.3	175	-176.5	-97.2	0	0	0	111.8	F275 A281 N282 S283 I334	F275-Y279 PolarHBondContact O-N 2.66Å; Y279-A281 VanDerWaalsContact C-N 3.34Å; Y279-A281 PolarHBondContact O-N 3.28Å; Y279-N282 PolarHBondContact O-N 2.75Å; Y279-S283 VanDerWaalsContact O-CB 3.3Å; Y279-S283 WeakPolarHBondContact O-CB 3.47Å; Y279-S283 PolarHBondContact O-N 2.87Å; Y279-I334 HydrophobicContact CD2-CB 4.31Å; Y279-I334 HydrophobicContact CD2-CG2 3.73Å; Y279-I334 HydrophobicContact CG-CG2 4.37Å
280	S	66.1	Low	64.5	Low	58 Å²	58	75.3 Å²	75.3	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-40.1	177.4	-170.1	0	0	0	0	112.3	L276 Q284	L276-S280 VanDerWaalsContact O-CB 3.28Å; L276-S280 WeakPolarHBondContact O-CB 3.49Å; L276-S280 PolarHBondContact O-N 3.29Å; S280-Q284 WeakPolarHBondContact O-CB 3.47Å; S280-Q284 VanDerWaalsContact O-CG 3.31Å; S280-Q284 WeakPolarHBondContact O-CG 3.16Å; S280-Q284 PolarHBondContact O-N 3.41Å; S280-Q284 PolarHBondContact OG-NE2 3.01Å
281	A	65.1	Low	65.2	Low	59 Å²	59	78.4 Å²	78.4	49%	0.488	39%	0.389	S	S	.	.	H	α-helix	trans	-64.9	-47.5	175.3	0	0	0	0	0	111.9	C277 I278 Y279 S283 Q284 L285	C277-A281 WeakPolarHBondContact O-CB 3.4Å; C277-A281 PolarHBondContact O-N 2.99Å; I278-A281 PolarHBondContact O-N 3.03Å; Y279-A281 VanDerWaalsContact C-N 3.34Å; Y279-A281 PolarHBondContact O-N 3.28Å; A281-S283 PolarHBondContact O-N 2.93Å; A281-Q284 PolarHBondContact O-N 2.97Å; A281-L285 WeakPolarHBondContact O-CB 3.37Å; A281-L285 PolarHBondContact O-N 2.78Å
282	N	64.1	Low	65.6	Low	18 Å²	18	80 Å²	80	10%	0.096	40%	0.403	C	S	.	.	H	α-helix	trans	-62.7	-42.3	178.2	-168.3	55.6	0	0	0	111.6	I278 Y279 Q284 L285 C286 L327 G331 I334	I278-N282 WeakPolarHBondContact O-CB 3.47Å; I278-N282 PolarHBondContact O-N 3.24Å; Y279-N282 PolarHBondContact O-N 2.75Å; N282-Q284 PolarHBondContact O-N 3.46Å; N282-L285 PolarHBondContact O-N 3.16Å; N282-L285 VanDerWaalsContact O-N 3.16Å; N282-C286 PolarHBondContact O-N 3.2Å; N282-C286 PolarHBondContact O-SG 2.72Å; N282-L327 PolarHBondContact ND2-O 2.73Å; N282-L327 WeakPolarHBondContact OD1-CD2 3.47Å; N282-G331 PolarHBondContact ND2-N 2.93Å; N282-I334 HydrophobicContact CB-CD1 4.4Å
283	S	66.5	Low	65.9	Low	67 Å²	67	76 Å²	76	47%	0.469	39%	0.389	S	S	.	.	H	α-helix	trans	-59.9	-43.9	174.9	-176.6	0	0	0	0	112.5	Y279 A281 K287	Y279-S283 VanDerWaalsContact O-CB 3.3Å; Y279-S283 WeakPolarHBondContact O-CB 3.47Å; Y279-S283 PolarHBondContact O-N 2.87Å; A281-S283 PolarHBondContact O-N 2.93Å; S283-K287 PolarHBondContact O-N 3.3Å
284	Q	68.4	Low	66.4	Low	106 Å²	106	72.8 Å²	72.8	50%	0.495	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-37.2	174	-73.6	178	51.2	0	0	112.4	S280 A281 N282 K287 R288	S280-Q284 WeakPolarHBondContact O-CB 3.47Å; S280-Q284 VanDerWaalsContact O-CG 3.31Å; S280-Q284 WeakPolarHBondContact O-CG 3.16Å; S280-Q284 PolarHBondContact O-N 3.41Å; S280-Q284 PolarHBondContact OG-NE2 3.01Å; A281-Q284 PolarHBondContact O-N 2.97Å; N282-Q284 PolarHBondContact O-N 3.46Å; Q284-K287 PolarHBondContact O-N 2.99Å; Q284-R288 WeakPolarHBondContact O-CG 3.41Å; Q284-R288 PolarHBondContact O-N 3.46Å
285	L	65	Low	66.9	Low	55 Å²	55	70.7 Å²	70.7	29%	0.288	38%	0.383	S	S	.	.	H	α-helix	trans	-69.1	-44.2	178.3	-153.5	73.8	0	0	0	111.5	A281 N282 K287 R288 M289 L327	A281-L285 WeakPolarHBondContact O-CB 3.37Å; A281-L285 PolarHBondContact O-N 2.78Å; N282-L285 PolarHBondContact O-N 3.16Å; N282-L285 VanDerWaalsContact O-N 3.16Å; L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 PolarHBondContact O-N 3.1Å; L285-R288 PolarHBondContact O-N 2.76Å; L285-M289 VanDerWaalsContact O-CB 3.32Å; L285-M289 WeakPolarHBondContact O-CB 3.3Å; L285-M289 PolarHBondContact O-N 3.01Å; L285-L327 HydrophobicContact CB-CD1 4.38Å; L285-L327 HydrophobicContact CD2-CD1 3.95Å; L285-L327 HydrophobicContact CD2-CD2 3.79Å; L285-L327 HydrophobicContact CG-CD1 4.1Å
286	C	65.2	Low	67.3	Low	15 Å²	15	70.1 Å²	70.1	10%	0.101	38%	0.381	C	S	.	.	H	α-helix	trans	-52.8	-49.9	169.8	-73.1	0	0	0	0	111.2	N282 M289 Q290 L327	N282-C286 PolarHBondContact O-N 3.2Å; N282-C286 PolarHBondContact O-SG 2.72Å; C286-M289 PolarHBondContact O-N 2.94Å; C286-Q290 WeakPolarHBondContact O-CB 3.48Å; C286-Q290 VanDerWaalsContact O-CG 3.27Å; C286-Q290 WeakPolarHBondContact O-CG 3.26Å; C286-Q290 PolarHBondContact O-N 3.46Å; C286-L327 VanDerWaalsContact SG-CB 3.52Å
287	K	72.8	Confident	67.9	Low	124 Å²	124	72.5 Å²	72.5	54%	0.539	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-48.4	-178.8	-167.7	178.4	-172.7	-93.6	0	112.2	S283 Q284 L285 M289 Q290 E291	S283-K287 PolarHBondContact O-N 3.3Å; Q284-K287 PolarHBondContact O-N 2.99Å; L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 PolarHBondContact O-N 3.1Å; K287-M289 VanDerWaalsContact C-N 3.28Å; K287-M289 PolarHBondContact O-N 3.48Å; K287-Q290 PolarHBondContact O-N 3.45Å; K287-E291 WeakPolarHBondContact CE-OE1 3.43Å; K287-E291 IonicContact NZ-OE1 3.15Å; K287-E291 PolarHBondContact NZ-OE1 2.63Å; K287-E291 WeakPolarHBondContact O-CB 3.47Å; K287-E291 WeakPolarHBondContact O-CG 3.42Å; K287-E291 PolarHBondContact O-N 2.83Å
288	R	69	Low	68.5	Low	125 Å²	125	73.4 Å²	73.4	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-60.1	-38.3	175.7	-74.5	-178.2	-178.9	-169.9	4.4	112.1	E161 Q284 L285 S292	E161-R288 IonicContact OE1-NH1 2.62Å; E161-R288 PolarHBondContact OE1-NH1 3.21Å; E161-R288 VanDerWaalsContact OE1-NH1 3.08Å; Q284-R288 WeakPolarHBondContact O-CG 3.41Å; Q284-R288 PolarHBondContact O-N 3.46Å; L285-R288 PolarHBondContact O-N 2.76Å; R288-S292 VanDerWaalsContact O-CB 3.26Å; R288-S292 WeakPolarHBondContact O-CB 3.48Å; R288-S292 PolarHBondContact O-N 3.5Å; R288-S292 PolarHBondContact O-OG 2.98Å
289	M	69.3	Low	69.1	Low	43 Å²	43	72.5 Å²	72.5	21%	0.212	38%	0.379	C	S	.	.	H	α-helix	trans	-69.4	-40	179	-161.7	61.7	63.9	0	0	111.5	L285 C286 K287 S292 A293 K320 I323 I324	L285-M289 VanDerWaalsContact O-CB 3.32Å; L285-M289 WeakPolarHBondContact O-CB 3.3Å; L285-M289 PolarHBondContact O-N 3.01Å; C286-M289 PolarHBondContact O-N 2.94Å; K287-M289 VanDerWaalsContact C-N 3.28Å; K287-M289 PolarHBondContact O-N 3.48Å; M289-S292 CarbonylContact O-C 3.58Å; M289-S292 PolarHBondContact O-N 3.35Å; M289-A293 WeakPolarHBondContact O-CB 3.44Å; M289-A293 PolarHBondContact O-N 3.45Å; M289-K320 HydrophobicContact CG-CD 4.45Å; M289-K320 HydrophobicContact CG-CG 4.08Å; M289-K320 WeakPolarHBondContact O-CE 3.43Å; M289-K320 HydrophobicContact SD-CD 4.27Å; M289-K320 HydrophobicContact SD-CG 3.69Å; M289-I323 HydrophobicContact CE-CG2 3.9Å; M289-I323 HydrophobicContact CG-CG2 4.43Å; M289-I323 HydrophobicContact SD-CG2 4.48Å; M289-I324 HydrophobicContact CB-CG1 4.05Å; M289-I324 HydrophobicContact CG-CD1 4.01Å; M289-I324 HydrophobicContact CG-CG1 3.46Å; M289-I324 VanDerWaalsContact CG-CG1 3.46Å
290	Q	72.7	Confident	69.5	Low	95 Å²	95	68.7 Å²	68.7	44%	0.444	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-45.7	172.9	-71.3	167.7	-3.1	0	0	112.4	C286 K287 S292 A293 S294	C286-Q290 WeakPolarHBondContact O-CB 3.48Å; C286-Q290 VanDerWaalsContact O-CG 3.27Å; C286-Q290 WeakPolarHBondContact O-CG 3.26Å; C286-Q290 PolarHBondContact O-N 3.46Å; K287-Q290 PolarHBondContact O-N 3.45Å; Q290-S292 VanDerWaalsContact C-N 3.29Å; Q290-S292 PolarHBondContact O-N 3.06Å; Q290-A293 WeakPolarHBondContact O-CA 3.5Å; Q290-A293 VanDerWaalsContact O-CB 3.26Å; Q290-A293 WeakPolarHBondContact O-CB 3.44Å; Q290-A293 PolarHBondContact O-N 3.32Å; Q290-S294 PolarHBondContact O-N 3.02Å; Q290-S294 VanDerWaalsContact O-N 3.1Å; Q290-S294 PolarHBondContact O-OG 3.48Å
291	E	75	Confident	69.8	Low	95 Å²	95	68.8 Å²	68.8	44%	0.444	37%	0.371	S	S	.	.	H	α-helix	trans	-56.8	-45.8	173.5	-73.4	167	175.3	0	0	110.6	K287 A293 S294 V295	K287-E291 WeakPolarHBondContact CE-OE1 3.43Å; K287-E291 IonicContact NZ-OE1 3.15Å; K287-E291 PolarHBondContact NZ-OE1 2.63Å; K287-E291 WeakPolarHBondContact O-CB 3.47Å; K287-E291 WeakPolarHBondContact O-CG 3.42Å; K287-E291 PolarHBondContact O-N 2.83Å; E291-A293 PolarHBondContact O-N 3.34Å; E291-S294 PolarHBondContact O-N 3.11Å; E291-V295 WeakPolarHBondContact O-CG2 3.47Å; E291-V295 PolarHBondContact O-N 3.22Å
292	S	66.9	Low	70.3	Confident	57 Å²	57	72 Å²	72	40%	0.399	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-16.4	174.8	-56.2	0	0	0	0	113.7	R288 M289 Q290 L296 K320	R288-S292 VanDerWaalsContact O-CB 3.26Å; R288-S292 WeakPolarHBondContact O-CB 3.48Å; R288-S292 PolarHBondContact O-N 3.5Å; R288-S292 PolarHBondContact O-OG 2.98Å; M289-S292 CarbonylContact O-C 3.58Å; M289-S292 PolarHBondContact O-N 3.35Å; Q290-S292 VanDerWaalsContact C-N 3.29Å; Q290-S292 PolarHBondContact O-N 3.06Å; S292-L296 WeakPolarHBondContact O-CB 3.42Å; S292-L296 PolarHBondContact O-N 3.35Å; S292-K320 VanDerWaalsContact C-NZ 3.3Å; S292-K320 WeakPolarHBondContact O-CE 3.49Å; S292-K320 PolarHBondContact O-NZ 3.12Å
293	A	67.1	Low	70.4	Confident	18 Å²	18	73.1 Å²	73.1	15%	0.149	38%	0.38	C	S	.	.	H	α-helix	trans	-82.1	-46.3	179.1	0	0	0	0	0	109.6	M289 Q290 E291 V295 L296 K297 K320 I324	M289-A293 WeakPolarHBondContact O-CB 3.44Å; M289-A293 PolarHBondContact O-N 3.45Å; Q290-A293 WeakPolarHBondContact O-CA 3.5Å; Q290-A293 VanDerWaalsContact O-CB 3.26Å; Q290-A293 WeakPolarHBondContact O-CB 3.44Å; Q290-A293 PolarHBondContact O-N 3.32Å; E291-A293 PolarHBondContact O-N 3.34Å; A293-V295 VanDerWaalsContact C-N 3.32Å; A293-V295 PolarHBondContact O-N 2.96Å; A293-L296 PolarHBondContact O-N 2.95Å; A293-K297 VanDerWaalsContact O-CB 3.28Å; A293-K297 WeakPolarHBondContact O-CB 3.5Å; A293-K297 PolarHBondContact O-N 2.99Å; A293-K320 HydrophobicContact CB-CD 3.61Å; A293-K320 VanDerWaalsContact N-CE 3.3Å; A293-I324 HydrophobicContact CB-CD1 4.18Å
294	S	71.2	Confident	70.3	Confident	81 Å²	81	72.7 Å²	72.7	57%	0.566	38%	0.38	S	S	*	.	H	α-helix	trans	-54.6	-47.3	171.6	-59.1	0	0	0	0	111.6	Q290 E291 K297 E298	Q290-S294 PolarHBondContact O-N 3.02Å; Q290-S294 VanDerWaalsContact O-N 3.1Å; Q290-S294 PolarHBondContact O-OG 3.48Å; E291-S294 PolarHBondContact O-N 3.11Å; S294-K297 PolarHBondContact O-N 3.43Å; S294-E298 WeakPolarHBondContact O-CB 3.48Å; S294-E298 PolarHBondContact O-N 3.38Å
295	V	73.8	Confident	70.2	Confident	79 Å²	79	75 Å²	75	48%	0.479	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-44.8	177.4	174.2	0	0	0	0	112	E291 A293 K297 E298 I299	E291-V295 WeakPolarHBondContact O-CG2 3.47Å; E291-V295 PolarHBondContact O-N 3.22Å; A293-V295 VanDerWaalsContact C-N 3.32Å; A293-V295 PolarHBondContact O-N 2.96Å; V295-K297 PolarHBondContact O-N 3.11Å; V295-E298 PolarHBondContact O-N 3.2Å; V295-I299 HydrophobicContact CG1-CD1 3.84Å; V295-I299 VanDerWaalsContact O-CG1 3.28Å; V295-I299 WeakPolarHBondContact O-CG1 3.42Å; V295-I299 PolarHBondContact O-N 3.41Å
296	L	68.9	Low	70.1	Confident	19 Å²	19	76.2 Å²	76.2	10%	0.099	41%	0.406	C	S	.	.	H	α-helix	trans	-63.2	-43.7	178.1	-170.4	72.4	0	0	0	111.2	S292 A293 E298 I299 C300 L313 L316 H317	S292-L296 WeakPolarHBondContact O-CB 3.42Å; S292-L296 PolarHBondContact O-N 3.35Å; A293-L296 PolarHBondContact O-N 2.95Å; L296-E298 PolarHBondContact O-N 2.76Å; L296-I299 PolarHBondContact O-N 3.14Å; L296-I299 VanDerWaalsContact O-N 3.17Å; L296-C300 PolarHBondContact O-N 3.04Å; L296-C300 PolarHBondContact O-SG 3.31Å; L296-L313 HydrophobicContact CD1-CG 4.46Å; L296-L316 HydrophobicContact CD1-CD2 3.92Å; L296-L316 HydrophobicContact CD2-CB 4.41Å; L296-L316 HydrophobicContact CD2-CD2 4.3Å; L296-H317 HydrophobicContact CD2-CB 3.94Å
297	K	72.7	Confident	69.8	Low	138 Å²	138	79.1 Å²	79.1	60%	0.6	44%	0.438	S	S	*	.	H	α-helix	trans	-63	-39.3	178.2	-173.5	169.3	-176.8	168.1	0	112.5	A293 S294 V295 C300 A301	A293-K297 VanDerWaalsContact O-CB 3.28Å; A293-K297 WeakPolarHBondContact O-CB 3.5Å; A293-K297 PolarHBondContact O-N 2.99Å; S294-K297 PolarHBondContact O-N 3.43Å; V295-K297 PolarHBondContact O-N 3.11Å; K297-C300 PolarHBondContact O-N 2.99Å; K297-A301 WeakPolarHBondContact O-CB 3.4Å; K297-A301 PolarHBondContact O-N 3.37Å
298	E	76.1	Confident	69.2	Low	101 Å²	101	77.2 Å²	77.2	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-40.3	173.1	-167.2	-168.9	148.3	0	0	111.8	S294 V295 L296 K302	S294-E298 WeakPolarHBondContact O-CB 3.48Å; S294-E298 PolarHBondContact O-N 3.38Å; V295-E298 PolarHBondContact O-N 3.2Å; L296-E298 PolarHBondContact O-N 2.76Å; E298-K302 HydrophobicContact CG-CD 4.27Å; E298-K302 WeakPolarHBondContact O-CB 3.33Å; E298-K302 VanDerWaalsContact O-CG 3.3Å; E298-K302 WeakPolarHBondContact O-CG 3.27Å; E298-K302 PolarHBondContact O-N 3.03Å; E298-K302 WeakPolarHBondContact OE1-CE 3.37Å; E298-K302 IonicContact OE1-NZ 2.76Å; E298-K302 PolarHBondContact OE1-NZ 2.94Å
299	I	73.2	Confident	69.1	Low	73 Å²	73	77.3 Å²	77.3	37%	0.374	45%	0.446	S	S	.	.	H	α-helix	trans	-68.3	-44.2	176.1	-68.4	166.4	0	0	0	111.2	V295 L296 A301 K302 L303 L313	V295-I299 HydrophobicContact CG1-CD1 3.84Å; V295-I299 VanDerWaalsContact O-CG1 3.28Å; V295-I299 WeakPolarHBondContact O-CG1 3.42Å; V295-I299 PolarHBondContact O-N 3.41Å; L296-I299 PolarHBondContact O-N 3.14Å; L296-I299 VanDerWaalsContact O-N 3.17Å; I299-A301 PolarHBondContact O-N 3.33Å; I299-K302 PolarHBondContact O-N 3.3Å; I299-L303 HydrophobicContact CG2-CD1 3.71Å; I299-L303 HydrophobicContact CG2-CG 4.44Å; I299-L303 WeakPolarHBondContact O-CB 3.24Å; I299-L303 WeakPolarHBondContact O-CG 3.46Å; I299-L303 PolarHBondContact O-N 3.48Å; I299-L313 HydrophobicContact CG2-CD2 3.88Å
300	C	69.9	Low	69.1	Low	17 Å²	17	77.4 Å²	77.4	12%	0.115	45%	0.447	C	S	.	.	H	α-helix	trans	-60.3	-44.9	176.2	-66.5	0	0	0	0	111.4	L296 K297 L303 A304	L296-C300 PolarHBondContact O-N 3.04Å; L296-C300 PolarHBondContact O-SG 3.31Å; K297-C300 PolarHBondContact O-N 2.99Å; C300-L303 PolarHBondContact O-N 2.82Å; C300-A304 PolarHBondContact O-N 3.43Å
301	A	73.9	Confident	68.9	Low	59 Å²	59	76 Å²	76	49%	0.488	45%	0.448	S	S	.	.	H	α-helix	trans	-60	-48.1	175.4	0	0	0	0	0	111.9	K297 I299 L303 A304	K297-A301 WeakPolarHBondContact O-CB 3.4Å; K297-A301 PolarHBondContact O-N 3.37Å; I299-A301 PolarHBondContact O-N 3.33Å; A301-L303 PolarHBondContact O-N 2.83Å; A301-A304 PolarHBondContact O-N 3.02Å
302	K	74.3	Confident	68.3	Low	127 Å²	127	77.6 Å²	77.6	55%	0.552	46%	0.46	S	S	*	.	H	α-helix	trans	-65.7	-20.3	178.2	-75.3	172.8	173.6	177	0	114.4	E298 I299	E298-K302 HydrophobicContact CG-CD 4.27Å; E298-K302 WeakPolarHBondContact O-CB 3.33Å; E298-K302 VanDerWaalsContact O-CG 3.3Å; E298-K302 WeakPolarHBondContact O-CG 3.27Å; E298-K302 PolarHBondContact O-N 3.03Å; E298-K302 WeakPolarHBondContact OE1-CE 3.37Å; E298-K302 IonicContact OE1-NZ 2.76Å; E298-K302 PolarHBondContact OE1-NZ 2.94Å; I299-K302 PolarHBondContact O-N 3.3Å
303	L	66	Low	68	Low	42 Å²	42	76.9 Å²	76.9	22%	0.22	45%	0.451	C	S	.	.	H	α-helix	trans	-93.6	-29.1	177.2	-73.2	170.5	0	0	0	113	I299 C300 A301 D305 T306 I310 L313	I299-L303 HydrophobicContact CG2-CD1 3.71Å; I299-L303 HydrophobicContact CG2-CG 4.44Å; I299-L303 WeakPolarHBondContact O-CB 3.24Å; I299-L303 WeakPolarHBondContact O-CG 3.46Å; I299-L303 PolarHBondContact O-N 3.48Å; C300-L303 PolarHBondContact O-N 2.82Å; A301-L303 PolarHBondContact O-N 2.83Å; L303-D305 VanDerWaalsContact C-N 3.25Å; L303-D305 PolarHBondContact O-N 3.17Å; L303-T306 PolarHBondContact O-N 3.14Å; L303-T306 PolarHBondContact O-OG1 2.66Å; L303-I310 HydrophobicContact CB-CG2 3.72Å; L303-L313 HydrophobicContact CD1-CD2 3.57Å
304	A	65.4	Low	67.9	Low	57 Å²	57	79.1 Å²	79.1	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-55.5	-41.7	173.8	0	0	0	0	0	111.9	C300 A301 T306 G307 I310	C300-A304 PolarHBondContact O-N 3.43Å; A301-A304 PolarHBondContact O-N 3.02Å; A304-T306 PolarHBondContact O-N 3.4Å; A304-T306 VanDerWaalsContact O-N 3.14Å; A304-G307 PolarHBondContact O-N 3.5Å; A304-I310 HydrophobicContact CB-CD1 4.22Å
305	D	64.9	Low	67.7	Low	155 Å²	155	81.9 Å²	81.9	83%	0.829	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.2	175.8	-68.9	-21.5	0	0	0	114.1	L303	L303-D305 VanDerWaalsContact C-N 3.25Å; L303-D305 PolarHBondContact O-N 3.17Å
306	T	64.3	Low	67.2	Low	80 Å²	80	82.6 Å²	82.6	49%	0.491	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.5	-175	66.5	0	0	0	0	114.6	L303 A304 V308	L303-T306 PolarHBondContact O-N 3.14Å; L303-T306 PolarHBondContact O-OG1 2.66Å; A304-T306 PolarHBondContact O-N 3.4Å; A304-T306 VanDerWaalsContact O-N 3.14Å; T306-V308 PolarHBondContact O-N 2.72Å; T306-V308 WeakPolarHBondContact OG1-CG2 3.35Å
307	G	57.6	Low	66.9	Low	76 Å²	76	84 Å²	84	78%	0.784	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	16.7	-178.5	0	0	0	0	0	114.5	A304	A304-G307 PolarHBondContact O-N 3.5Å
308	V	62	Low	66.7	Low	85 Å²	85	82.8 Å²	82.8	52%	0.515	47%	0.473	S	S	.	.			trans	-82.1	142.5	174.2	175.4	0	0	0	0	109.1	T306 I310	T306-V308 PolarHBondContact O-N 2.72Å; T306-V308 WeakPolarHBondContact OG1-CG2 3.35Å; V308-I310 PolarHBondContact O-N 2.97Å
309	D	66.5	Low	66.2	Low	126 Å²	126	82.2 Å²	82.2	67%	0.674	47%	0.473	S	S	*	.			trans	-63.3	121.9	172.1	-167.9	-15.4	0	0	0	110.2	S311	D309-S311 VanDerWaalsContact OD1-CB 3.25Å; D309-S311 WeakPolarHBondContact OD1-CB 3.29Å; D309-S311 PolarHBondContact OD1-N 2.99Å; D309-S311 PolarHBondContact OD1-OG 2.9Å
310	I	67.8	Low	65.9	Low	45 Å²	45	79.9 Å²	79.9	23%	0.231	46%	0.46	C	S	.	.			trans	-112.6	16.8	-178.8	57.4	171.6	0	0	0	112.4	L303 A304 V308 L313 T314	L303-I310 HydrophobicContact CB-CG2 3.72Å; A304-I310 HydrophobicContact CB-CD1 4.22Å; V308-I310 PolarHBondContact O-N 2.97Å; I310-L313 HydrophobicContact CB-CB 4.37Å; I310-L313 PolarHBondContact O-N 3.33Å; I310-L313 VanDerWaalsContact O-N 3.13Å; I310-T314 PolarHBondContact O-N 3.22Å; I310-T314 PolarHBondContact O-OG1 3.32Å
311	S	70.2	Confident	66	Low	65 Å²	65	82.6 Å²	82.6	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-55.4	-55.1	179.3	-57.8	0	0	0	0	111.6	D309 L313 T314 E315	D309-S311 VanDerWaalsContact OD1-CB 3.25Å; D309-S311 WeakPolarHBondContact OD1-CB 3.29Å; D309-S311 PolarHBondContact OD1-N 2.99Å; D309-S311 PolarHBondContact OD1-OG 2.9Å; S311-L313 PolarHBondContact O-N 3.33Å; S311-L313 VanDerWaalsContact O-N 3.16Å; S311-T314 WeakPolarHBondContact O-CA 3.35Å; S311-T314 WeakPolarHBondContact O-CB 3.49Å; S311-T314 PolarHBondContact O-N 3.36Å; S311-E315 PolarHBondContact O-N 2.84Å
312	D	61	Low	65.8	Low	129 Å²	129	84.2 Å²	84.2	69%	0.69	47%	0.471	S	S	*	.	H	α-helix	trans	-51.8	-38.8	174.4	-61.7	16.5	0	0	0	113	L316	D312-L316 WeakPolarHBondContact O-CB 3.42Å; D312-L316 PolarHBondContact O-N 3.07Å
313	L	61.2	Low	65.4	Low	43 Å²	43	81.1 Å²	81.1	23%	0.225	46%	0.46	C	S	.	.	H	α-helix	trans	-76	-26	-179.5	-113.6	67.8	0	0	0	112.6	L296 I299 L303 I310 S311 H317	L296-L313 HydrophobicContact CD1-CG 4.46Å; I299-L313 HydrophobicContact CG2-CD2 3.88Å; L303-L313 HydrophobicContact CD1-CD2 3.57Å; I310-L313 HydrophobicContact CB-CB 4.37Å; I310-L313 PolarHBondContact O-N 3.33Å; I310-L313 VanDerWaalsContact O-N 3.13Å; S311-L313 PolarHBondContact O-N 3.33Å; S311-L313 VanDerWaalsContact O-N 3.16Å; L313-H317 PolarHBondContact O-N 3.21Å; L313-H317 VanDerWaalsContact O-N 3.13Å
314	T	64.9	Low	65.6	Low	65 Å²	65	80.3 Å²	80.3	40%	0.399	46%	0.455	S	S	.	.	H	α-helix	trans	-78.9	-41.1	176.4	-52.9	0	0	0	0	110.3	I310 S311 L316 H317 L318	I310-T314 PolarHBondContact O-N 3.22Å; I310-T314 PolarHBondContact O-OG1 3.32Å; S311-T314 WeakPolarHBondContact O-CA 3.35Å; S311-T314 WeakPolarHBondContact O-CB 3.49Å; S311-T314 PolarHBondContact O-N 3.36Å; T314-L316 VanDerWaalsContact C-N 3.32Å; T314-L316 PolarHBondContact O-N 2.66Å; T314-H317 WeakPolarHBondContact O-CB 3.2Å; T314-H317 PolarHBondContact O-N 3.49Å; T314-H317 VanDerWaalsContact O-N 3.11Å; T314-L318 WeakPolarHBondContact O-CG 3.48Å; T314-L318 PolarHBondContact O-N 2.87Å
315	E	67.7	Low	65.9	Low	139 Å²	139	81.2 Å²	81.2	65%	0.65	46%	0.458	S	S	*	.	H	α-helix	trans	-59.2	-43.4	168.5	-67.7	-171.2	173	0	0	111.4	S311 H317 L318 L319	S311-E315 PolarHBondContact O-N 2.84Å; E315-H317 PolarHBondContact O-N 2.85Å; E315-L318 PolarHBondContact O-N 3.37Å; E315-L319 WeakPolarHBondContact O-CB 3.47Å; E315-L319 PolarHBondContact O-N 2.9Å
316	L	62.4	Low	66	Low	94 Å²	94	79.6 Å²	79.6	49%	0.492	44%	0.444	S	S	.	.	H	α-helix	trans	-64.1	-25	175.6	-151.6	88.9	0	0	0	113.2	L296 D312 T314 K320	L296-L316 HydrophobicContact CD1-CD2 3.92Å; L296-L316 HydrophobicContact CD2-CB 4.41Å; L296-L316 HydrophobicContact CD2-CD2 4.3Å; D312-L316 WeakPolarHBondContact O-CB 3.42Å; D312-L316 PolarHBondContact O-N 3.07Å; T314-L316 VanDerWaalsContact C-N 3.32Å; T314-L316 PolarHBondContact O-N 2.66Å; L316-K320 WeakPolarHBondContact O-CB 3.2Å; L316-K320 PolarHBondContact O-N 3.44Å
317	H	63.8	Low	66.1	Low	47 Å²	47	76.9 Å²	76.9	22%	0.218	43%	0.426	C	S	.	.	H	α-helix	trans	-76.9	-44.9	173.2	-171.4	-15.6	0	0	0	111.3	L296 L313 T314 E315 K320 D321	L296-H317 HydrophobicContact CD2-CB 3.94Å; L313-H317 PolarHBondContact O-N 3.21Å; L313-H317 VanDerWaalsContact O-N 3.13Å; T314-H317 WeakPolarHBondContact O-CB 3.2Å; T314-H317 PolarHBondContact O-N 3.49Å; T314-H317 VanDerWaalsContact O-N 3.11Å; E315-H317 PolarHBondContact O-N 2.85Å; H317-K320 VanDerWaalsContact O-CB 3.25Å; H317-K320 WeakPolarHBondContact O-CB 3.34Å; H317-K320 PolarHBondContact O-N 3.44Å; H317-K320 VanDerWaalsContact O-N 3.15Å; H317-D321 IonicContact CE1-OD1 3.81Å; H317-D321 IonicContact CE1-OD2 2.93Å; H317-D321 PolarHBondContact CE1-OD2 3.11Å; H317-D321 IonicContact ND1-OD1 2.98Å; H317-D321 IonicContact ND1-OD2 2.63Å; H317-D321 PolarHBondContact ND1-OD2 3.14Å; H317-D321 VanDerWaalsContact ND1-OD2 3.14Å; H317-D321 PolarHBondContact O-N 2.82Å; H317-D321 VanDerWaalsContact O-N 3.12Å
318	L	68.6	Low	66.7	Low	114 Å²	114	76.8 Å²	76.8	60%	0.597	41%	0.408	S	S	*	.	H	α-helix	trans	-63.4	-47	179.2	-69	169.4	0	0	0	112	T314 E315 K320 D321 E322	T314-L318 WeakPolarHBondContact O-CG 3.48Å; T314-L318 PolarHBondContact O-N 2.87Å; E315-L318 PolarHBondContact O-N 3.37Å; L318-K320 PolarHBondContact O-N 3.42Å; L318-D321 PolarHBondContact O-N 2.66Å; L318-E322 PolarHBondContact O-N 3.18Å; L318-E322 VanDerWaalsContact O-N 3.11Å
319	L	65.3	Low	66.8	Low	88 Å²	88	75.6 Å²	75.6	46%	0.461	41%	0.407	S	S	.	.	H	α-helix	trans	-56.9	-32.9	174	178.3	63.8	0	0	0	111.9	E315 I323	E315-L319 WeakPolarHBondContact O-CB 3.47Å; E315-L319 PolarHBondContact O-N 2.9Å; L319-I323 HydrophobicContact CG-CD1 4.28Å; L319-I323 WeakPolarHBondContact O-CD1 3.43Å; L319-I323 VanDerWaalsContact O-CG1 3.31Å; L319-I323 WeakPolarHBondContact O-CG1 3.3Å; L319-I323 PolarHBondContact O-N 3.37Å; L319-I323 VanDerWaalsContact O-N 3.16Å
320	K	66.9	Low	66.3	Low	25 Å²	25	72.3 Å²	72.3	11%	0.109	39%	0.391	C	S	.	.	H	α-helix	trans	-71.2	-43	179.1	-154.7	-154.3	-149.1	87.4	0	112.6	M289 S292 A293 L316 H317 L318 E322 I323 I324	M289-K320 HydrophobicContact CG-CD 4.45Å; M289-K320 HydrophobicContact CG-CG 4.08Å; M289-K320 WeakPolarHBondContact O-CE 3.43Å; M289-K320 HydrophobicContact SD-CD 4.27Å; M289-K320 HydrophobicContact SD-CG 3.69Å; S292-K320 VanDerWaalsContact C-NZ 3.3Å; S292-K320 WeakPolarHBondContact O-CE 3.49Å; S292-K320 PolarHBondContact O-NZ 3.12Å; A293-K320 HydrophobicContact CB-CD 3.61Å; A293-K320 VanDerWaalsContact N-CE 3.3Å; L316-K320 WeakPolarHBondContact O-CB 3.2Å; L316-K320 PolarHBondContact O-N 3.44Å; H317-K320 VanDerWaalsContact O-CB 3.25Å; H317-K320 WeakPolarHBondContact O-CB 3.34Å; H317-K320 PolarHBondContact O-N 3.44Å; H317-K320 VanDerWaalsContact O-N 3.15Å; L318-K320 PolarHBondContact O-N 3.42Å; K320-E322 VanDerWaalsContact C-N 3.27Å; K320-E322 PolarHBondContact O-N 2.9Å; K320-I323 PolarHBondContact O-N 3.45Å; K320-I323 VanDerWaalsContact O-N 3.15Å; K320-I324 HydrophobicContact CD-CD1 4.3Å; K320-I324 WeakPolarHBondContact O-CG1 3.35Å; K320-I324 PolarHBondContact O-N 3.26Å
321	D	70.8	Confident	66	Low	73 Å²	73	70.9 Å²	70.9	39%	0.39	39%	0.387	S	S	.	.	H	α-helix	trans	-68	-32.7	-180	-65	-19.6	0	0	0	110.4	H317 L318 I324 S325	H317-D321 IonicContact CE1-OD1 3.81Å; H317-D321 IonicContact CE1-OD2 2.93Å; H317-D321 PolarHBondContact CE1-OD2 3.11Å; H317-D321 IonicContact ND1-OD1 2.98Å; H317-D321 IonicContact ND1-OD2 2.63Å; H317-D321 PolarHBondContact ND1-OD2 3.14Å; H317-D321 VanDerWaalsContact ND1-OD2 3.14Å; H317-D321 PolarHBondContact O-N 2.82Å; H317-D321 VanDerWaalsContact O-N 3.12Å; L318-D321 PolarHBondContact O-N 2.66Å; D321-I324 PolarHBondContact O-N 3.21Å; D321-S325 WeakPolarHBondContact O-CB 3.3Å; D321-S325 PolarHBondContact O-N 3.17Å
322	E	69.6	Low	65.8	Low	93 Å²	93	71.6 Å²	71.6	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-60.5	-45.2	168.2	-164.1	-159.3	144.5	0	0	112.3	L318 K320 S325 K326	L318-E322 PolarHBondContact O-N 3.18Å; L318-E322 VanDerWaalsContact O-N 3.11Å; K320-E322 VanDerWaalsContact C-N 3.27Å; K320-E322 PolarHBondContact O-N 2.9Å; E322-S325 WeakPolarHBondContact O-CB 3.2Å; E322-S325 PolarHBondContact O-N 2.91Å; E322-K326 WeakPolarHBondContact O-CG 3.36Å; E322-K326 PolarHBondContact O-N 3.41Å; E322-K326 VanDerWaalsContact OE1-CE 3.31Å; E322-K326 WeakPolarHBondContact OE1-CE 3.47Å; E322-K326 IonicContact OE1-NZ 3.7Å; E322-K326 PolarHBondContact OE1-NZ 3.15Å
323	I	65.7	Low	65.5	Low	63 Å²	63	68.4 Å²	68.4	32%	0.323	38%	0.375	S	S	.	.	H	α-helix	trans	-65.1	-43.6	176.4	-66.1	162	0	0	0	110.8	M289 L319 K320 S325 K326 L327	M289-I323 HydrophobicContact CE-CG2 3.9Å; M289-I323 HydrophobicContact CG-CG2 4.43Å; M289-I323 HydrophobicContact SD-CG2 4.48Å; L319-I323 HydrophobicContact CG-CD1 4.28Å; L319-I323 WeakPolarHBondContact O-CD1 3.43Å; L319-I323 VanDerWaalsContact O-CG1 3.31Å; L319-I323 WeakPolarHBondContact O-CG1 3.3Å; L319-I323 PolarHBondContact O-N 3.37Å; L319-I323 VanDerWaalsContact O-N 3.16Å; K320-I323 PolarHBondContact O-N 3.45Å; K320-I323 VanDerWaalsContact O-N 3.15Å; I323-S325 VanDerWaalsContact C-N 3.3Å; I323-S325 PolarHBondContact O-N 2.81Å; I323-K326 PolarHBondContact O-N 3.14Å; I323-L327 HydrophobicContact CG2-CD1 3.92Å; I323-L327 HydrophobicContact CG2-CG 4.22Å; I323-L327 VanDerWaalsContact O-CG 3.31Å; I323-L327 WeakPolarHBondContact O-CG 3.41Å; I323-L327 PolarHBondContact O-N 3.37Å
324	I	71.7	Confident	65.3	Low	24 Å²	24	66.8 Å²	66.8	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-60	-42.2	175.7	-68.7	170.8	0	0	0	110.5	M289 A293 K320 D321 L327 N328	M289-I324 HydrophobicContact CB-CG1 4.05Å; M289-I324 HydrophobicContact CG-CD1 4.01Å; M289-I324 HydrophobicContact CG-CG1 3.46Å; M289-I324 VanDerWaalsContact CG-CG1 3.46Å; A293-I324 HydrophobicContact CB-CD1 4.18Å; K320-I324 HydrophobicContact CD-CD1 4.3Å; K320-I324 WeakPolarHBondContact O-CG1 3.35Å; K320-I324 PolarHBondContact O-N 3.26Å; D321-I324 PolarHBondContact O-N 3.21Å; I324-L327 PolarHBondContact O-N 2.91Å; I324-N328 WeakPolarHBondContact O-CB 3.46Å; I324-N328 PolarHBondContact O-N 3.24Å; I324-N328 PolarHBondContact O-ND2 2.96Å
325	S	70.8	Confident	65.1	Low	77 Å²	77	66.4 Å²	66.4	54%	0.538	36%	0.364	S	S	.	.	H	α-helix	trans	-58.7	-47.6	174.6	-171.4	0	0	0	0	111.9	D321 E322 I323 L327 N328 A329	D321-S325 WeakPolarHBondContact O-CB 3.3Å; D321-S325 PolarHBondContact O-N 3.17Å; E322-S325 WeakPolarHBondContact O-CB 3.2Å; E322-S325 PolarHBondContact O-N 2.91Å; I323-S325 VanDerWaalsContact C-N 3.3Å; I323-S325 PolarHBondContact O-N 2.81Å; S325-L327 PolarHBondContact O-N 3.37Å; S325-N328 PolarHBondContact O-N 3.31Å; S325-A329 WeakPolarHBondContact O-CB 3.38Å; S325-A329 PolarHBondContact O-N 3.04Å
326	K	68.2	Low	64.5	Low	120 Å²	120	60.8 Å²	60.8	52%	0.522	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-38.5	177.8	-73.8	172.4	169.7	175.9	0	113.4	E322 I323 T330	E322-K326 WeakPolarHBondContact O-CG 3.36Å; E322-K326 PolarHBondContact O-N 3.41Å; E322-K326 VanDerWaalsContact OE1-CE 3.31Å; E322-K326 WeakPolarHBondContact OE1-CE 3.47Å; E322-K326 IonicContact OE1-NZ 3.7Å; E322-K326 PolarHBondContact OE1-NZ 3.15Å; I323-K326 PolarHBondContact O-N 3.14Å; K326-T330 WeakPolarHBondContact O-CB 3.49Å; K326-T330 PolarHBondContact O-N 2.95Å; K326-T330 PolarHBondContact O-OG1 3.05Å
327	L	65.2	Low	64	Low	23 Å²	23	56.8 Å²	56.8	12%	0.12	32%	0.321	C	S	.	.	H	α-helix	trans	-71.8	-35.2	176	-63.5	175.5	0	0	0	112.5	N282 L285 C286 I323 I324 S325 T330 G331	N282-L327 PolarHBondContact ND2-O 2.73Å; N282-L327 WeakPolarHBondContact OD1-CD2 3.47Å; L285-L327 HydrophobicContact CB-CD1 4.38Å; L285-L327 HydrophobicContact CD2-CD1 3.95Å; L285-L327 HydrophobicContact CD2-CD2 3.79Å; L285-L327 HydrophobicContact CG-CD1 4.1Å; C286-L327 VanDerWaalsContact SG-CB 3.52Å; I323-L327 HydrophobicContact CG2-CD1 3.92Å; I323-L327 HydrophobicContact CG2-CG 4.22Å; I323-L327 VanDerWaalsContact O-CG 3.31Å; I323-L327 WeakPolarHBondContact O-CG 3.41Å; I323-L327 PolarHBondContact O-N 3.37Å; I324-L327 PolarHBondContact O-N 2.91Å; S325-L327 PolarHBondContact O-N 3.37Å; L327-T330 PolarHBondContact O-N 2.94Å; L327-G331 PolarHBondContact O-N 3.3Å
328	N	69.7	Low	63.5	Low	75 Å²	75	58 Å²	58	40%	0.401	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-45.7	171.4	-72.2	-19.1	0	0	0	111.2	I324 S325 T330 G331 S332	I324-N328 WeakPolarHBondContact O-CB 3.46Å; I324-N328 PolarHBondContact O-N 3.24Å; I324-N328 PolarHBondContact O-ND2 2.96Å; S325-N328 PolarHBondContact O-N 3.31Å; N328-T330 VanDerWaalsContact C-N 3.29Å; N328-T330 PolarHBondContact O-N 3.04Å; N328-G331 WeakPolarHBondContact O-CA 3.49Å; N328-G331 PolarHBondContact O-N 3.09Å; N328-S332 PolarHBondContact O-N 2.77Å; N328-S332 PolarHBondContact O-OG 3.26Å
329	A	64	Low	63	Low	59 Å²	59	57.9 Å²	57.9	49%	0.488	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-40.2	174.4	0	0	0	0	0	112	S325 G331 S332 L333	S325-A329 WeakPolarHBondContact O-CB 3.38Å; S325-A329 PolarHBondContact O-N 3.04Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 3.28Å; A329-S332 PolarHBondContact O-N 2.82Å; A329-L333 WeakPolarHBondContact O-CB 3.46Å; A329-L333 PolarHBondContact O-N 3.45Å
330	T	57.2	Low	62	Low	58 Å²	58	54.4 Å²	54.4	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-38.6	172.9	-55.6	0	0	0	0	111.7	K326 L327 N328 L333 I334	K326-T330 WeakPolarHBondContact O-CB 3.49Å; K326-T330 PolarHBondContact O-N 2.95Å; K326-T330 PolarHBondContact O-OG1 3.05Å; L327-T330 PolarHBondContact O-N 2.94Å; N328-T330 VanDerWaalsContact C-N 3.29Å; N328-T330 PolarHBondContact O-N 3.04Å; T330-L333 PolarHBondContact O-N 2.94Å; T330-I334 HydrophobicContact CG2-CD1 4.1Å; T330-I334 WeakPolarHBondContact O-CD1 3.25Å; T330-I334 VanDerWaalsContact O-CG1 3.25Å; T330-I334 WeakPolarHBondContact O-CG1 3.49Å; T330-I334 PolarHBondContact O-N 2.96Å
331	G	62.2	Low	60.9	Low	14 Å²	14	55 Å²	55	14%	0.144	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-42.8	174.5	0	0	0	0	0	113	N282 L327 N328 A329 I334 T335	N282-G331 PolarHBondContact ND2-N 2.93Å; L327-G331 PolarHBondContact O-N 3.3Å; N328-G331 WeakPolarHBondContact O-CA 3.49Å; N328-G331 PolarHBondContact O-N 3.09Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 3.28Å; G331-I334 PolarHBondContact O-N 3.11Å; G331-T335 WeakPolarHBondContact O-CB 3.41Å; G331-T335 PolarHBondContact O-N 3.39Å; G331-T335 PolarHBondContact O-OG1 2.9Å
332	S	65.3	Low	59.8	Low	81 Å²	81	56.4 Å²	56.4	57%	0.566	33%	0.331	S	S	*	.	H	α-helix	trans	-60.9	-46.1	173.9	-62.1	0	0	0	0	111.6	N328 A329 I334 T335 A336	N328-S332 PolarHBondContact O-N 2.77Å; N328-S332 PolarHBondContact O-OG 3.26Å; A329-S332 PolarHBondContact O-N 2.82Å; S332-I334 PolarHBondContact O-N 3.38Å; S332-T335 WeakPolarHBondContact O-CB 3.25Å; S332-T335 PolarHBondContact O-N 3.16Å; S332-T335 VanDerWaalsContact O-N 3.17Å; S332-A336 WeakPolarHBondContact O-CB 3.32Å; S332-A336 PolarHBondContact O-N 3.09Å
333	L	55.2	Low	58.3	Low	61 Å²	61	58.3 Å²	58.3	32%	0.319	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-47	176.4	176	62.8	0	0	0	111.7	D251 V254 A329 T330 T335 A336 L337	D251-L333 WeakPolarHBondContact OD1-CD1 3.49Å; V254-L333 HydrophobicContact CG1-CD1 4.19Å; A329-L333 WeakPolarHBondContact O-CB 3.46Å; A329-L333 PolarHBondContact O-N 3.45Å; T330-L333 PolarHBondContact O-N 2.94Å; L333-T335 VanDerWaalsContact C-N 3.3Å; L333-T335 PolarHBondContact O-N 2.93Å; L333-A336 PolarHBondContact O-N 3.02Å; L333-L337 HydrophobicContact CD1-CD1 4.04Å; L333-L337 HydrophobicContact CD1-CG 4.37Å; L333-L337 HydrophobicContact CG-CD1 3.95Å; L333-L337 WeakPolarHBondContact O-CB 3.46Å; L333-L337 WeakPolarHBondContact O-CD1 3.17Å; L333-L337 VanDerWaalsContact O-CG 3.23Å; L333-L337 WeakPolarHBondContact O-CG 3.18Å; L333-L337 PolarHBondContact O-N 3.44Å
334	I	55.8	Low	56.9	Low	9 Å²	9	59.8 Å²	59.8	5%	0.046	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-39.5	176.8	-63.4	160.6	0	0	0	111	F275 I278 Y279 N282 T330 G331 S332 L337 E338	F275-I334 HydrophobicContact CD1-CG2 4.08Å; F275-I334 HydrophobicContact CE1-CG2 4.23Å; I278-I334 HydrophobicContact CG2-CD1 3.96Å; Y279-I334 HydrophobicContact CD2-CB 4.31Å; Y279-I334 HydrophobicContact CD2-CG2 3.73Å; Y279-I334 HydrophobicContact CG-CG2 4.37Å; N282-I334 HydrophobicContact CB-CD1 4.4Å; T330-I334 HydrophobicContact CG2-CD1 4.1Å; T330-I334 WeakPolarHBondContact O-CD1 3.25Å; T330-I334 VanDerWaalsContact O-CG1 3.25Å; T330-I334 WeakPolarHBondContact O-CG1 3.49Å; T330-I334 PolarHBondContact O-N 2.96Å; G331-I334 PolarHBondContact O-N 3.11Å; S332-I334 PolarHBondContact O-N 3.38Å; I334-L337 WeakPolarHBondContact O-CB 3.3Å; I334-L337 PolarHBondContact O-N 3.1Å; I334-E338 WeakPolarHBondContact O-CG 3.25Å; I334-E338 PolarHBondContact O-N 2.83Å
335	T	60.8	Low	55.2	Low	57 Å²	57	62.3 Å²	62.3	35%	0.35	38%	0.377	S	S	.	.	H	α-helix	trans	-67.2	-42.1	178.5	-51.8	0	0	0	0	111.8	G331 S332 L333 L337 E338 N339	G331-T335 WeakPolarHBondContact O-CB 3.41Å; G331-T335 PolarHBondContact O-N 3.39Å; G331-T335 PolarHBondContact O-OG1 2.9Å; S332-T335 WeakPolarHBondContact O-CB 3.25Å; S332-T335 PolarHBondContact O-N 3.16Å; S332-T335 VanDerWaalsContact O-N 3.17Å; L333-T335 VanDerWaalsContact C-N 3.3Å; L333-T335 PolarHBondContact O-N 2.93Å; T335-L337 VanDerWaalsContact C-N 3.3Å; T335-L337 PolarHBondContact O-N 3.03Å; T335-E338 PolarHBondContact O-N 3.13Å; T335-N339 PolarHBondContact O-N 2.83Å; T335-N339 VanDerWaalsContact O-N 3.17Å; T335-N339 PolarHBondContact O-ND2 3.38Å
336	A	55.9	Low	53.6	Low	21 Å²	21	62.5 Å²	62.5	17%	0.174	38%	0.376	C	S	.	.	H	α-helix	trans	-63.9	-38.4	174.4	0	0	0	0	0	111.4	D251 S332 L333 N339 S340	D251-A336 WeakPolarHBondContact OD2-CB 3.14Å; S332-A336 WeakPolarHBondContact O-CB 3.32Å; S332-A336 PolarHBondContact O-N 3.09Å; L333-A336 PolarHBondContact O-N 3.02Å; A336-N339 PolarHBondContact O-N 2.8Å; A336-S340 VanDerWaalsContact O-CB 3.29Å; A336-S340 WeakPolarHBondContact O-CB 3.41Å; A336-S340 PolarHBondContact O-N 3.42Å; A336-S340 PolarHBondContact O-OG 3.07Å
337	L	50.6	Low	52.3	Low	10 Å²	10	62.6 Å²	62.6	5%	0.052	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-50.2	174.6	-76.7	164.3	0	0	0	112.4	V254 R255 L258 F275 L333 I334 T335 N339 S340 V341	V254-L337 HydrophobicContact CG1-CD1 4.44Å; V254-L337 HydrophobicContact CG1-CD2 4.32Å; R255-L337 HydrophobicContact CB-CD2 4.38Å; R255-L337 HydrophobicContact CG-CD2 4.1Å; L258-L337 HydrophobicContact CB-CD2 3.95Å; L258-L337 HydrophobicContact CD1-CD1 3.54Å; L258-L337 HydrophobicContact CD1-CD2 3.42Å; L258-L337 VanDerWaalsContact CD1-CD2 3.42Å; L258-L337 HydrophobicContact CD1-CG 4.11Å; L258-L337 HydrophobicContact CG-CD2 4.29Å; F275-L337 HydrophobicContact CE1-CB 4.01Å; F275-L337 HydrophobicContact CE1-CD1 4.04Å; F275-L337 HydrophobicContact CZ-CD1 4.08Å; L333-L337 HydrophobicContact CD1-CD1 4.04Å; L333-L337 HydrophobicContact CD1-CG 4.37Å; L333-L337 HydrophobicContact CG-CD1 3.95Å; L333-L337 WeakPolarHBondContact O-CB 3.46Å; L333-L337 WeakPolarHBondContact O-CD1 3.17Å; L333-L337 VanDerWaalsContact O-CG 3.23Å; L333-L337 WeakPolarHBondContact O-CG 3.18Å; L333-L337 PolarHBondContact O-N 3.44Å; I334-L337 WeakPolarHBondContact O-CB 3.3Å; I334-L337 PolarHBondContact O-N 3.1Å; T335-L337 VanDerWaalsContact C-N 3.3Å; T335-L337 PolarHBondContact O-N 3.03Å; L337-N339 VanDerWaalsContact C-N 3.3Å; L337-N339 PolarHBondContact O-N 2.85Å; L337-S340 WeakPolarHBondContact CA-OG 3.5Å; L337-S340 PolarHBondContact O-N 3.46Å; L337-S340 PolarHBondContact O-OG 3.47Å; L337-V341 WeakPolarHBondContact O-CG2 3.43Å; L337-V341 PolarHBondContact O-N 2.99Å
338	E	53.8	Low	51.5	Low	74 Å²	74	67.8 Å²	67.8	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-55.8	-42.2	176.6	-74.7	-175	156.4	0	0	112.4	I334 T335 S340	I334-E338 WeakPolarHBondContact O-CG 3.25Å; I334-E338 PolarHBondContact O-N 2.83Å; T335-E338 PolarHBondContact O-N 3.13Å; E338-S340 PolarHBondContact O-N 3.47Å
339	N	57.4	Low	50.2	Low	111 Å²	111	71.1 Å²	71.1	59%	0.594	43%	0.433	S	S	*	.	H	α-helix	trans	-63.6	-39.9	174.8	-71.9	-44.8	0	0	0	112.4	T335 A336 L337 S342	T335-N339 PolarHBondContact O-N 2.83Å; T335-N339 VanDerWaalsContact O-N 3.17Å; T335-N339 PolarHBondContact O-ND2 3.38Å; A336-N339 PolarHBondContact O-N 2.8Å; L337-N339 VanDerWaalsContact C-N 3.3Å; L337-N339 PolarHBondContact O-N 2.85Å; N339-S342 WeakPolarHBondContact O-CB 3.24Å; N339-S342 PolarHBondContact O-OG 3.01Å
340	S	44.5	Very low	49.7	Very low	14 Å²	14	74.8 Å²	74.8	10%	0.098	44%	0.444	C	S	.	.	H	α-helix	trans	-77.4	-18.6	-170.4	75.2	0	0	0	0	116.1	R255 Q259 A336 L337 E338 S342 L343	R255-S340 WeakPolarHBondContact CG-OG 3.38Å; Q259-S340 PolarHBondContact NE2-O 3.2Å; A336-S340 VanDerWaalsContact O-CB 3.29Å; A336-S340 WeakPolarHBondContact O-CB 3.41Å; A336-S340 PolarHBondContact O-N 3.42Å; A336-S340 PolarHBondContact O-OG 3.07Å; L337-S340 WeakPolarHBondContact CA-OG 3.5Å; L337-S340 PolarHBondContact O-N 3.46Å; L337-S340 PolarHBondContact O-OG 3.47Å; E338-S340 PolarHBondContact O-N 3.47Å; S340-S342 PolarHBondContact O-N 3.47Å; S340-L343 PolarHBondContact O-N 2.94Å; S340-L343 VanDerWaalsContact O-N 3.13Å
341	V	45.4	Very low	49.3	Very low	39 Å²	39	75.8 Å²	75.8	24%	0.236	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-18.7	173.9	-174.5	0	0	0	0	112.1	Q259 L262 L337	Q259-V341 PolarHBondContact NE2-O 3.3Å; Q259-V341 VanDerWaalsContact NE2-O 3.09Å; L262-V341 HydrophobicContact CD1-CB 4.34Å; L262-V341 HydrophobicContact CD1-CG1 3.96Å; L262-V341 HydrophobicContact CD1-CG2 3.58Å; L262-V341 HydrophobicContact CD2-CG1 4.34Å; L337-V341 WeakPolarHBondContact O-CG2 3.43Å; L337-V341 PolarHBondContact O-N 2.99Å
342	S	46.4	Very low	48.3	Very low	102 Å²	102	80.1 Å²	80.1	71%	0.713	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.6	-176.5	-45	0	0	0	0	116.4	N339 S340	N339-S342 WeakPolarHBondContact O-CB 3.24Å; N339-S342 PolarHBondContact O-OG 3.01Å; S340-S342 PolarHBondContact O-N 3.47Å
343	L	38.1	Very low	47.6	Very low	133 Å²	133	80.6 Å²	80.6	70%	0.696	47%	0.469	S	S	*	.	S	Bend	trans	-102.2	-172.7	-176	-90.2	81.7	0	0	0	113.8	Q259 S340	Q259-L343 PolarHBondContact NE2-O 3.31Å; S340-L343 PolarHBondContact O-N 2.94Å; S340-L343 VanDerWaalsContact O-N 3.13Å
344	A	35.9	Very low	47.3	Very low	93 Å²	93	86.7 Å²	86.7	77%	0.769	49%	0.488	S	S	*	.			trans	-122.5	153.3	-176.2	0	0	0	0	0	113.5
345	M	36.2	Very low	46.7	Very low	78 Å²	78	91.4 Å²	91.4	38%	0.384	51%	0.512	S	S	.	.			trans	-92.9	130.9	-164.5	-95.5	-80.5	-61	0	0	115.6	R256 K260	R256-M345 HydrophobicContact CB-SD 3.96Å; R256-M345 HydrophobicContact CG-SD 3.83Å; K260-M345 HydrophobicContact CD-CE 3.98Å; K260-M345 HydrophobicContact CG-CE 4.31Å
346	P	37.3	Very low	46.2	Very low	80 Å²	80	94.3 Å²	94.3	52%	0.519	52%	0.522	S	S	.	.			trans	-100.1	174.4	162.4	37.4	-32.7	0	0	0	113.4
347	T	41.8	Very low	46	Very low	122 Å²	122	100.2 Å²	100.2	75%	0.748	55%	0.546	S	S	*	.			trans	-143.4	128.5	-168.1	53.2	0	0	0	0	114
348	N	48.2	Very low	45.8	Very low	132 Å²	132	106.2 Å²	106.2	71%	0.706	57%	0.569	S	S	*	*			trans	-166.4	162.3	161.2	-111.2	2.4	0	0	0	111.1
349	D	42.2	Very low	45.7	Very low	146 Å²	146	108.4 Å²	108.4	78%	0.781	58%	0.582	S	S	*	*	S	Bend	trans	-105.2	-3.9	-164.1	-70.5	-46.1	0	0	0	116.7	E351	D349-E351 PolarHBondContact O-N 3.09Å
350	D	53.3	Low	45.9	Very low	135 Å²	135	107.2 Å²	107.2	72%	0.722	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-2.2	-173.2	-65.2	-56.8	0	0	0	115.5	V352	D350-V352 PolarHBondContact O-N 3.17Å
351	E	48.9	Very low	46.6	Very low	80 Å²	80	111.8 Å²	111.8	37%	0.374	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-14.7	-169.8	-63.2	-179.1	163.3	0	0	114	R256 D349 R354 L355	R256-E351 IonicContact CZ-OE1 3.96Å; R256-E351 IonicContact NH1-OE1 3.9Å; R256-E351 PolarHBondContact NH1-OE1 2.99Å; R256-E351 IonicContact NH1-OE2 3.82Å; R256-E351 IonicContact NH2-OE1 3.25Å; R256-E351 PolarHBondContact NH2-OE1 2.9Å; D349-E351 PolarHBondContact O-N 3.09Å; E351-R354 PolarHBondContact O-N 2.65Å; E351-L355 PolarHBondContact O-N 3.41Å
352	V	41.7	Very low	46.9	Very low	104 Å²	104	114.1 Å²	114.1	63%	0.63	61%	0.608	S	S	*	*	H	α-helix	trans	-61.5	-46.9	-169.4	-177.9	0	0	0	0	115.2	D350 R354 L355	D350-V352 PolarHBondContact O-N 3.17Å; V352-R354 VanDerWaalsContact C-N 3.3Å; V352-R354 PolarHBondContact O-N 3.38Å; V352-L355 PolarHBondContact O-N 3.14Å
353	P	51.3	Low	47.5	Very low	91 Å²	91	114.7 Å²	114.7	59%	0.591	60%	0.6	S	S	*	*	H	α-helix	trans	-64.7	-34.7	-176.6	-22.2	34.7	0	0	0	113	Q356 E357	P353-Q356 WeakPolarHBondContact O-CB 3.39Å; P353-Q356 PolarHBondContact O-N 3.41Å; P353-Q356 VanDerWaalsContact O-N 3.11Å; P353-E357 PolarHBondContact O-N 3.16Å
354	R	47.5	Very low	48.7	Very low	189 Å²	189	111.4 Å²	111.4	71%	0.713	59%	0.585	S	S	*	*	H	α-helix	trans	-70.1	-33	-177.1	-59.6	-175.9	-177.4	-144.6	-0.2	112.2	E351 V352 Q356 E357 Y358	E351-R354 PolarHBondContact O-N 2.65Å; V352-R354 VanDerWaalsContact C-N 3.3Å; V352-R354 PolarHBondContact O-N 3.38Å; R354-Q356 PolarHBondContact O-N 3.28Å; R354-E357 PolarHBondContact O-N 3.11Å; R354-Y358 PolarHBondContact O-N 3.32Å; R354-Y358 VanDerWaalsContact O-N 3.11Å
355	L	43.8	Very low	49.9	Very low	108 Å²	108	110.5 Å²	110.5	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-60.8	-29	171.6	-73.1	166.5	0	0	0	112.4	E351 V352 L359	E351-L355 PolarHBondContact O-N 3.41Å; V352-L355 PolarHBondContact O-N 3.14Å; L355-L359 WeakPolarHBondContact O-CG 3.3Å; L355-L359 PolarHBondContact O-N 3.11Å
356	Q	49.2	Very low	51	Low	119 Å²	119	110.7 Å²	110.7	56%	0.556	57%	0.569	S	S	*	*	H	α-helix	trans	-78	-36.4	-179.8	-166.2	151.5	-12.2	0	0	112.6	P353 R354 Y358 L359 V360	P353-Q356 WeakPolarHBondContact O-CB 3.39Å; P353-Q356 PolarHBondContact O-N 3.41Å; P353-Q356 VanDerWaalsContact O-N 3.11Å; R354-Q356 PolarHBondContact O-N 3.28Å; Q356-Y358 VanDerWaalsContact C-N 3.35Å; Q356-L359 PolarHBondContact O-N 2.89Å; Q356-V360 WeakPolarHBondContact O-CG2 3.2Å; Q356-V360 PolarHBondContact O-N 3.33Å; Q356-V360 VanDerWaalsContact O-N 3.15Å
357	E	52.4	Low	52.3	Low	145 Å²	145	112.2 Å²	112.2	68%	0.678	57%	0.569	S	S	*	*	H	α-helix	trans	-63.8	-40.6	169	-66.5	-176	126.7	0	0	111.6	P353 R354 L359 V360 H361	P353-E357 PolarHBondContact O-N 3.16Å; R354-E357 PolarHBondContact O-N 3.11Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 2.63Å; E357-V360 PolarHBondContact O-N 3.05Å; E357-V360 VanDerWaalsContact O-N 3.16Å; E357-H361 PolarHBondContact O-N 2.75Å
358	Y	45.8	Very low	53.5	Low	135 Å²	135	111.7 Å²	111.7	53%	0.529	56%	0.558	S	S	.	*	H	α-helix	trans	-63.7	-37.4	177.2	-162.2	-95.4	0	0	0	112.7	R354 Q356 H361 M362	R354-Y358 PolarHBondContact O-N 3.32Å; R354-Y358 VanDerWaalsContact O-N 3.11Å; Q356-Y358 VanDerWaalsContact C-N 3.35Å; Y358-H361 PolarHBondContact O-N 3.47Å; Y358-M362 HydrophobicContact CD1-CG 4.14Å; Y358-M362 HydrophobicContact CE1-CG 3.96Å; Y358-M362 WeakPolarHBondContact O-CB 3.31Å; Y358-M362 WeakPolarHBondContact O-CG 3.45Å; Y358-M362 PolarHBondContact O-N 3.36Å
359	L	51.9	Low	54.2	Low	120 Å²	120	110.7 Å²	110.7	63%	0.628	55%	0.545	S	S	*	.	H	α-helix	trans	-64.4	-39.1	172.1	-79.2	168.3	0	0	0	112.6	L355 Q356 E357 Q363	L355-L359 WeakPolarHBondContact O-CG 3.3Å; L355-L359 PolarHBondContact O-N 3.11Å; Q356-L359 PolarHBondContact O-N 2.89Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 2.63Å; L359-Q363 WeakPolarHBondContact O-CB 3.4Å; L359-Q363 PolarHBondContact O-N 3.34Å
360	V	61.8	Low	55.3	Low	86 Å²	86	107.3 Å²	107.3	52%	0.521	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-45.1	174.4	172.4	0	0	0	0	110.7	Q356 E357 M362 Q363 T364	Q356-V360 WeakPolarHBondContact O-CG2 3.2Å; Q356-V360 PolarHBondContact O-N 3.33Å; Q356-V360 VanDerWaalsContact O-N 3.15Å; E357-V360 PolarHBondContact O-N 3.05Å; E357-V360 VanDerWaalsContact O-N 3.16Å; V360-M362 PolarHBondContact O-N 2.89Å; V360-Q363 WeakPolarHBondContact O-CB 3.07Å; V360-Q363 PolarHBondContact O-N 3.32Å; V360-Q363 VanDerWaalsContact O-N 3.12Å; V360-T364 PolarHBondContact O-N 2.8Å; V360-T364 PolarHBondContact O-OG1 3.28Å; V360-T364 VanDerWaalsContact O-OG1 3.14Å
361	H	59.3	Low	56.2	Low	110 Å²	110	104.1 Å²	104.1	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-45.6	176.9	-174.5	74.2	0	0	0	112.3	E357 Y358 Q363 T364 L365	E357-H361 PolarHBondContact O-N 2.75Å; Y358-H361 PolarHBondContact O-N 3.47Å; H361-Q363 VanDerWaalsContact C-N 3.27Å; H361-Q363 PolarHBondContact O-N 2.99Å; H361-T364 PolarHBondContact O-N 2.86Å; H361-L365 WeakPolarHBondContact O-CG 3.35Å; H361-L365 PolarHBondContact O-N 2.98Å
362	M	51.9	Low	57	Low	89 Å²	89	106.5 Å²	106.5	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-59.2	-35.5	173.4	-80.1	-73	-72.2	0	0	112.8	Y358 V360 L366	Y358-M362 HydrophobicContact CD1-CG 4.14Å; Y358-M362 HydrophobicContact CE1-CG 3.96Å; Y358-M362 WeakPolarHBondContact O-CB 3.31Å; Y358-M362 WeakPolarHBondContact O-CG 3.45Å; Y358-M362 PolarHBondContact O-N 3.36Å; V360-M362 PolarHBondContact O-N 2.89Å; M362-L366 WeakPolarHBondContact O-CG 3.36Å; M362-L366 PolarHBondContact O-N 3.37Å
363	Q	58.6	Low	58.3	Low	114 Å²	114	104.8 Å²	104.8	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-44.9	174.8	-171	-179	-39.2	0	0	111.6	L359 V360 H361 L365 L366 E367	L359-Q363 WeakPolarHBondContact O-CB 3.4Å; L359-Q363 PolarHBondContact O-N 3.34Å; V360-Q363 WeakPolarHBondContact O-CB 3.07Å; V360-Q363 PolarHBondContact O-N 3.32Å; V360-Q363 VanDerWaalsContact O-N 3.12Å; H361-Q363 VanDerWaalsContact C-N 3.27Å; H361-Q363 PolarHBondContact O-N 2.99Å; Q363-L365 VanDerWaalsContact C-N 3.29Å; Q363-L365 PolarHBondContact O-N 2.91Å; Q363-L366 WeakPolarHBondContact O-CB 3.32Å; Q363-L366 PolarHBondContact O-N 3.42Å; Q363-L366 VanDerWaalsContact O-N 3.11Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.29Å; Q363-E367 PolarHBondContact NE2-OE1 3.47Å; Q363-E367 WeakPolarHBondContact O-CG 3.4Å; Q363-E367 PolarHBondContact O-N 2.94Å
364	T	64.8	Low	59.3	Low	63 Å²	63	105.5 Å²	105.5	39%	0.387	51%	0.508	S	S	.	.	H	α-helix	trans	-58.9	-39.5	176.1	-49.6	0	0	0	0	112.2	V360 H361 L366 E367 Q368	V360-T364 PolarHBondContact O-N 2.8Å; V360-T364 PolarHBondContact O-OG1 3.28Å; V360-T364 VanDerWaalsContact O-OG1 3.14Å; H361-T364 PolarHBondContact O-N 2.86Å; T364-L366 PolarHBondContact O-N 2.89Å; T364-E367 PolarHBondContact O-N 3.37Å; T364-Q368 WeakPolarHBondContact O-CG 3.42Å; T364-Q368 PolarHBondContact O-N 3.34Å
365	L	59.4	Low	60.7	Low	75 Å²	75	100.3 Å²	100.3	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-35.2	176	-69.6	174.2	0	0	0	113	H361 Q363 R369	H361-L365 WeakPolarHBondContact O-CG 3.35Å; H361-L365 PolarHBondContact O-N 2.98Å; Q363-L365 VanDerWaalsContact C-N 3.29Å; Q363-L365 PolarHBondContact O-N 2.91Å; L365-R369 WeakPolarHBondContact O-CB 3.42Å; L365-R369 PolarHBondContact O-N 3.23Å
366	L	59.1	Low	61.9	Low	82 Å²	82	99.7 Å²	99.7	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-68.5	-41.4	174	-72.4	168.3	0	0	0	111.6	M362 Q363 T364 R369 D370	M362-L366 WeakPolarHBondContact O-CG 3.36Å; M362-L366 PolarHBondContact O-N 3.37Å; Q363-L366 WeakPolarHBondContact O-CB 3.32Å; Q363-L366 PolarHBondContact O-N 3.42Å; Q363-L366 VanDerWaalsContact O-N 3.11Å; T364-L366 PolarHBondContact O-N 2.89Å; L366-R369 PolarHBondContact O-N 3Å; L366-D370 WeakPolarHBondContact O-CB 3.03Å; L366-D370 PolarHBondContact O-N 2.96Å
367	E	66.1	Low	63.2	Low	112 Å²	112	98.4 Å²	98.4	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-65.3	-39.7	176.9	-69.6	170.9	-167.6	0	0	111.7	Q363 T364 D370 S371	Q363-E367 WeakPolarHBondContact CG-OE1 3.29Å; Q363-E367 PolarHBondContact NE2-OE1 3.47Å; Q363-E367 WeakPolarHBondContact O-CG 3.4Å; Q363-E367 PolarHBondContact O-N 2.94Å; T364-E367 PolarHBondContact O-N 3.37Å; E367-D370 PolarHBondContact O-N 3.41Å; E367-S371 WeakPolarHBondContact O-CB 3.45Å; E367-S371 PolarHBondContact O-N 3.02Å
368	Q	66.9	Low	64.5	Low	111 Å²	111	97.9 Å²	97.9	52%	0.519	48%	0.482	S	S	.	.	H	α-helix	trans	-62.6	-45.3	171.1	-75.2	179.6	-8.7	0	0	112.6	T364 D370 S371 H372	T364-Q368 WeakPolarHBondContact O-CG 3.42Å; T364-Q368 PolarHBondContact O-N 3.34Å; Q368-D370 VanDerWaalsContact C-N 3.33Å; Q368-D370 PolarHBondContact O-N 3.13Å; Q368-S371 WeakPolarHBondContact O-CB 3.45Å; Q368-S371 PolarHBondContact O-N 2.91Å; Q368-H372 PolarHBondContact O-N 3.11Å
369	R	62.2	Low	65.9	Low	111 Å²	111	94.3 Å²	94.3	42%	0.419	47%	0.474	S	S	.	.	H	α-helix	trans	-60.5	-43.5	177	-174.4	-156.7	67	-163	-8.3	111.4	L365 L366 S371 H372 I373	L365-R369 WeakPolarHBondContact O-CB 3.42Å; L365-R369 PolarHBondContact O-N 3.23Å; L366-R369 PolarHBondContact O-N 3Å; R369-S371 VanDerWaalsContact C-N 3.34Å; R369-H372 WeakPolarHBondContact O-CB 3.33Å; R369-H372 PolarHBondContact O-N 3.24Å; R369-I373 HydrophobicContact CG-CD1 4.17Å; R369-I373 WeakPolarHBondContact O-CG1 3.47Å; R369-I373 PolarHBondContact O-N 2.93Å
370	D	64.7	Low	67	Low	75 Å²	75	90.8 Å²	90.8	40%	0.401	46%	0.455	S	S	.	.	H	α-helix	trans	-72.4	-31.1	-176.5	-69	-2	0	0	0	111.3	L366 E367 Q368 I373 E374	L366-D370 WeakPolarHBondContact O-CB 3.03Å; L366-D370 PolarHBondContact O-N 2.96Å; E367-D370 PolarHBondContact O-N 3.41Å; Q368-D370 VanDerWaalsContact C-N 3.33Å; Q368-D370 PolarHBondContact O-N 3.13Å; D370-I373 PolarHBondContact O-N 3.49Å; D370-E374 PolarHBondContact O-N 3.12Å
371	S	72.6	Confident	67.8	Low	68 Å²	68	92.3 Å²	92.3	48%	0.476	46%	0.457	S	S	.	.	H	α-helix	trans	-60.5	-43.6	165.5	179.1	0	0	0	0	113.2	E367 Q368 R369 E374 T375	E367-S371 WeakPolarHBondContact O-CB 3.45Å; E367-S371 PolarHBondContact O-N 3.02Å; Q368-S371 WeakPolarHBondContact O-CB 3.45Å; Q368-S371 PolarHBondContact O-N 2.91Å; R369-S371 VanDerWaalsContact C-N 3.34Å; S371-E374 PolarHBondContact O-N 2.85Å; S371-T375 PolarHBondContact O-N 3.44Å; S371-T375 PolarHBondContact O-OG1 2.93Å
372	H	65.8	Low	68.7	Low	129 Å²	129	91.4 Å²	91.4	60%	0.597	46%	0.456	S	S	*	.	H	α-helix	trans	-64.6	-37.7	173.6	-84.4	-154.6	0	0	0	112.4	Q368 R369 T375 L376	Q368-H372 PolarHBondContact O-N 3.11Å; R369-H372 WeakPolarHBondContact O-CB 3.33Å; R369-H372 PolarHBondContact O-N 3.24Å; H372-T375 PolarHBondContact O-N 3.18Å; H372-L376 WeakPolarHBondContact O-CB 3.48Å; H372-L376 WeakPolarHBondContact O-CG 3.39Å; H372-L376 PolarHBondContact O-N 2.96Å
373	I	68.5	Low	69.9	Low	68 Å²	68	91.5 Å²	91.5	35%	0.349	45%	0.454	S	S	.	.	H	α-helix	trans	-62.6	-41.7	174.3	-71.2	167.1	0	0	0	110.9	R369 D370 L376 K377	R369-I373 HydrophobicContact CG-CD1 4.17Å; R369-I373 WeakPolarHBondContact O-CG1 3.47Å; R369-I373 PolarHBondContact O-N 2.93Å; D370-I373 PolarHBondContact O-N 3.49Å; I373-L376 PolarHBondContact O-N 3.37Å; I373-K377 WeakPolarHBondContact O-CG 3.33Å; I373-K377 PolarHBondContact O-N 2.99Å
374	E	73.9	Confident	70.9	Confident	106 Å²	106	87.9 Å²	87.9	50%	0.495	44%	0.439	S	S	.	.	H	α-helix	trans	-66.7	-38.8	176.6	-141.1	63	-148.1	0	0	112.4	D370 S371 L376 K377 K378	D370-E374 PolarHBondContact O-N 3.12Å; S371-E374 PolarHBondContact O-N 2.85Å; E374-L376 VanDerWaalsContact C-N 3.34Å; E374-L376 PolarHBondContact O-N 2.71Å; E374-K377 PolarHBondContact O-N 3.36Å; E374-K377 VanDerWaalsContact OE1-CD 3.24Å; E374-K377 WeakPolarHBondContact OE1-CD 3.47Å; E374-K377 IonicContact OE1-NZ 3.71Å; E374-K377 PolarHBondContact OE1-NZ 3.26Å; E374-K377 WeakPolarHBondContact OE2-CE 3.39Å; E374-K377 IonicContact OE2-NZ 3.23Å; E374-K377 PolarHBondContact OE2-NZ 2.99Å; E374-K378 PolarHBondContact O-N 3.15Å
375	T	75.5	Confident	71.6	Confident	80 Å²	80	91.1 Å²	91.1	49%	0.491	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-39.3	175	-54.8	0	0	0	0	111.6	S371 H372 T379	S371-T375 PolarHBondContact O-N 3.44Å; S371-T375 PolarHBondContact O-OG1 2.93Å; H372-T375 PolarHBondContact O-N 3.18Å; T375-T379 WeakPolarHBondContact O-CB 3.42Å; T375-T379 PolarHBondContact O-N 3.49Å; T375-T379 PolarHBondContact O-OG1 3.05Å
376	L	69.3	Low	72.4	Confident	95 Å²	95	92 Å²	92	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-66.8	-43.1	173.5	-78.7	165.9	0	0	0	112.7	H372 I373 E374 T379 I380	H372-L376 WeakPolarHBondContact O-CB 3.48Å; H372-L376 WeakPolarHBondContact O-CG 3.39Å; H372-L376 PolarHBondContact O-N 2.96Å; I373-L376 PolarHBondContact O-N 3.37Å; E374-L376 VanDerWaalsContact C-N 3.34Å; E374-L376 PolarHBondContact O-N 2.71Å; L376-T379 WeakPolarHBondContact O-CB 3.45Å; L376-T379 PolarHBondContact O-N 3.38Å; L376-I380 WeakPolarHBondContact O-CG1 3.43Å; L376-I380 PolarHBondContact O-N 3.37Å
377	K	77.3	Confident	73.1	Confident	92 Å²	92	89.2 Å²	89.2	40%	0.4	44%	0.44	S	S	.	.	H	α-helix	trans	-55.1	-53.3	173.3	-73.2	171.3	-178.4	166.9	0	111.1	I373 E374 T379 I380 E381	I373-K377 WeakPolarHBondContact O-CG 3.33Å; I373-K377 PolarHBondContact O-N 2.99Å; E374-K377 PolarHBondContact O-N 3.36Å; E374-K377 VanDerWaalsContact OE1-CD 3.24Å; E374-K377 WeakPolarHBondContact OE1-CD 3.47Å; E374-K377 IonicContact OE1-NZ 3.71Å; E374-K377 PolarHBondContact OE1-NZ 3.26Å; E374-K377 WeakPolarHBondContact OE2-CE 3.39Å; E374-K377 IonicContact OE2-NZ 3.23Å; E374-K377 PolarHBondContact OE2-NZ 2.99Å; K377-T379 PolarHBondContact O-N 2.94Å; K377-I380 CarbonylContact O-C 3.6Å; K377-I380 WeakPolarHBondContact O-CA 3.41Å; K377-I380 WeakPolarHBondContact O-CB 3.29Å; K377-I380 PolarHBondContact O-N 3.01Å; K377-E381 WeakPolarHBondContact O-CG 3.3Å; K377-E381 PolarHBondContact O-N 2.91Å
378	K	79.7	Confident	73.7	Confident	135 Å²	135	87.2 Å²	87.2	59%	0.587	43%	0.431	S	S	*	.	H	α-helix	trans	-59.4	-34.6	-179.8	-169.7	174.3	-176.3	177.4	0	112.3	E374 N382	E374-K378 PolarHBondContact O-N 3.15Å; K378-N382 WeakPolarHBondContact O-CB 3.33Å; K378-N382 PolarHBondContact O-N 3.01Å; K378-N382 PolarHBondContact O-OD1 2.92Å
379	T	74.9	Confident	74.1	Confident	59 Å²	59	85 Å²	85	36%	0.362	43%	0.427	S	S	.	.	H	α-helix	trans	-68.8	-36.5	174	-57.2	0	0	0	0	112.3	T375 L376 K377 K383	T375-T379 WeakPolarHBondContact O-CB 3.42Å; T375-T379 PolarHBondContact O-N 3.49Å; T375-T379 PolarHBondContact O-OG1 3.05Å; L376-T379 WeakPolarHBondContact O-CB 3.45Å; L376-T379 PolarHBondContact O-N 3.38Å; K377-T379 PolarHBondContact O-N 2.94Å; T379-K383 WeakPolarHBondContact O-CB 3.41Å; T379-K383 WeakPolarHBondContact O-CG 3.44Å; T379-K383 PolarHBondContact O-N 3.32Å; T379-K383 VanDerWaalsContact O-N 3.07Å
380	I	74.8	Confident	74.4	Confident	46 Å²	46	81.4 Å²	81.4	24%	0.236	42%	0.416	C	S	.	.	H	α-helix	trans	-71.1	-37.3	175.1	-68.8	164.8	0	0	0	111.4	L376 K377 K383 T384	L376-I380 WeakPolarHBondContact O-CG1 3.43Å; L376-I380 PolarHBondContact O-N 3.37Å; K377-I380 CarbonylContact O-C 3.6Å; K377-I380 WeakPolarHBondContact O-CA 3.41Å; K377-I380 WeakPolarHBondContact O-CB 3.29Å; K377-I380 PolarHBondContact O-N 3.01Å; I380-K383 PolarHBondContact O-N 2.73Å; I380-T384 WeakPolarHBondContact O-CB 2.96Å; I380-T384 PolarHBondContact O-N 2.94Å; I380-T384 PolarHBondContact O-OG1 2.88Å
381	E	79.4	Confident	75	Confident	118 Å²	118	80.4 Å²	80.4	55%	0.551	41%	0.408	S	S	*	.	H	α-helix	trans	-62.6	-55.7	173.7	-70.6	170.9	156.1	0	0	110.4	K377 K383 T384 E385	K377-E381 WeakPolarHBondContact O-CG 3.3Å; K377-E381 PolarHBondContact O-N 2.91Å; E381-K383 VanDerWaalsContact C-N 3.27Å; E381-K383 PolarHBondContact O-N 3.18Å; E381-T384 WeakPolarHBondContact O-CA 3.37Å; E381-T384 WeakPolarHBondContact O-CB 3.35Å; E381-T384 PolarHBondContact O-N 3.1Å; E381-E385 PolarHBondContact O-N 2.94Å
382	N	78.1	Confident	75.1	Confident	91 Å²	91	84 Å²	84	49%	0.487	41%	0.411	S	S	.	.	H	α-helix	trans	-52.9	-41.9	175	-70	-5.1	0	0	0	112.7	K378 T384 L386	K378-N382 WeakPolarHBondContact O-CB 3.33Å; K378-N382 PolarHBondContact O-N 3.01Å; K378-N382 PolarHBondContact O-OD1 2.92Å; N382-T384 VanDerWaalsContact C-N 3.33Å; N382-L386 WeakPolarHBondContact O-CB 3.47Å; N382-L386 PolarHBondContact O-N 3.21Å; N382-L386 VanDerWaalsContact O-N 3.12Å
383	K	76.9	Confident	75.3	Confident	91 Å²	91	85.3 Å²	85.3	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-70	-28.6	176.3	-77	-178	179.2	-176.6	0	112.7	T379 I380 E381 I387	T379-K383 WeakPolarHBondContact O-CB 3.41Å; T379-K383 WeakPolarHBondContact O-CG 3.44Å; T379-K383 PolarHBondContact O-N 3.32Å; T379-K383 VanDerWaalsContact O-N 3.07Å; I380-K383 PolarHBondContact O-N 2.73Å; E381-K383 VanDerWaalsContact C-N 3.27Å; E381-K383 PolarHBondContact O-N 3.18Å; K383-I387 WeakPolarHBondContact O-CD1 3.38Å; K383-I387 VanDerWaalsContact O-CG1 3.25Å; K383-I387 WeakPolarHBondContact O-CG1 3.45Å; K383-I387 PolarHBondContact O-N 3.49Å; K383-I387 VanDerWaalsContact O-N 3.11Å
384	T	78.7	Confident	75.2	Confident	38 Å²	38	83.9 Å²	83.9	23%	0.233	40%	0.403	C	S	.	.	H	α-helix	trans	-75.2	-43.8	176.9	-59.9	0	0	0	0	111.1	I380 E381 N382 L386 I387 E388	I380-T384 WeakPolarHBondContact O-CB 2.96Å; I380-T384 PolarHBondContact O-N 2.94Å; I380-T384 PolarHBondContact O-OG1 2.88Å; E381-T384 WeakPolarHBondContact O-CA 3.37Å; E381-T384 WeakPolarHBondContact O-CB 3.35Å; E381-T384 PolarHBondContact O-N 3.1Å; N382-T384 VanDerWaalsContact C-N 3.33Å; T384-L386 VanDerWaalsContact C-N 3.29Å; T384-L386 PolarHBondContact O-N 3.38Å; T384-I387 PolarHBondContact O-N 2.77Å; T384-I387 VanDerWaalsContact O-N 3.1Å; T384-E388 PolarHBondContact O-N 2.97Å
385	E	79.1	Confident	75	Confident	132 Å²	132	82.1 Å²	82.1	62%	0.617	40%	0.398	S	S	*	.	H	α-helix	trans	-57.5	-41.9	171.3	-67.1	-173.6	164.5	0	0	111.9	E381 I387 E388 C389	E381-E385 PolarHBondContact O-N 2.94Å; E385-I387 VanDerWaalsContact C-N 3.35Å; E385-I387 PolarHBondContact O-N 2.87Å; E385-E388 PolarHBondContact O-N 3.24Å; E385-C389 WeakPolarHBondContact O-CB 3.41Å; E385-C389 PolarHBondContact O-N 2.94Å
386	L	77.3	Confident	74.8	Confident	93 Å²	93	84 Å²	84	49%	0.487	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-39.9	175.4	-177.1	63.3	0	0	0	112.1	N382 T384 C389 L390	N382-L386 WeakPolarHBondContact O-CB 3.47Å; N382-L386 PolarHBondContact O-N 3.21Å; N382-L386 VanDerWaalsContact O-N 3.12Å; T384-L386 VanDerWaalsContact C-N 3.29Å; T384-L386 PolarHBondContact O-N 3.38Å; L386-C389 PolarHBondContact O-N 3.35Å; L386-L390 HydrophobicContact CD1-CD1 4.42Å; L386-L390 HydrophobicContact CG-CD1 4.19Å; L386-L390 WeakPolarHBondContact O-CB 3.42Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.44Å; L386-L390 PolarHBondContact O-N 2.91Å
387	I	74.7	Confident	74.3	Confident	23 Å²	23	83.2 Å²	83.2	12%	0.118	40%	0.4	C	S	.	.	H	α-helix	trans	-66.6	-40.9	175.9	-73	164.6	0	0	0	111	L148 K383 T384 E385 L390 K391	L148-I387 HydrophobicContact CB-CD1 4.39Å; K383-I387 WeakPolarHBondContact O-CD1 3.38Å; K383-I387 VanDerWaalsContact O-CG1 3.25Å; K383-I387 WeakPolarHBondContact O-CG1 3.45Å; K383-I387 PolarHBondContact O-N 3.49Å; K383-I387 VanDerWaalsContact O-N 3.11Å; T384-I387 PolarHBondContact O-N 2.77Å; T384-I387 VanDerWaalsContact O-N 3.1Å; E385-I387 VanDerWaalsContact C-N 3.35Å; E385-I387 PolarHBondContact O-N 2.87Å; I387-L390 PolarHBondContact O-N 2.95Å; I387-K391 HydrophobicContact CG2-CD 4.08Å; I387-K391 WeakPolarHBondContact O-CB 3.43Å; I387-K391 VanDerWaalsContact O-CG 3.31Å; I387-K391 WeakPolarHBondContact O-CG 3.46Å; I387-K391 PolarHBondContact O-N 3.34Å
388	E	77.7	Confident	73.4	Confident	70 Å²	70	83 Å²	83	33%	0.327	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-43.7	173	-81.9	-173.2	-134.5	0	0	112.9	T384 E385 L390 K391 R392	T384-E388 PolarHBondContact O-N 2.97Å; E385-E388 PolarHBondContact O-N 3.24Å; E388-L390 VanDerWaalsContact C-N 3.33Å; E388-K391 PolarHBondContact O-N 2.99Å; E388-R392 PolarHBondContact O-N 3.24Å; E388-R392 IonicContact OE2-CZ 3.1Å; E388-R392 IonicContact OE2-NH2 2.66Å; E388-R392 PolarHBondContact OE2-NH2 3.07Å
389	C	74.3	Confident	72.4	Confident	65 Å²	65	79.5 Å²	79.5	44%	0.439	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-40.2	179.2	-173	0	0	0	0	111	E385 L386 R393	E385-C389 WeakPolarHBondContact O-CB 3.41Å; E385-C389 PolarHBondContact O-N 2.94Å; L386-C389 PolarHBondContact O-N 3.35Å; C389-R393 WeakPolarHBondContact O-CG 3.41Å; C389-R393 PolarHBondContact O-N 3.44Å
390	L	68.9	Low	71.4	Confident	36 Å²	36	80 Å²	80	19%	0.188	41%	0.407	C	S	.	.	H	α-helix	trans	-69.3	-35	172.8	-70.3	170.8	0	0	0	112.9	L386 I387 E388 L394	L386-L390 HydrophobicContact CD1-CD1 4.42Å; L386-L390 HydrophobicContact CG-CD1 4.19Å; L386-L390 WeakPolarHBondContact O-CB 3.42Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.44Å; L386-L390 PolarHBondContact O-N 2.91Å; I387-L390 PolarHBondContact O-N 2.95Å; E388-L390 VanDerWaalsContact C-N 3.33Å; L390-L394 WeakPolarHBondContact O-CB 3.42Å; L390-L394 PolarHBondContact O-N 2.78Å
391	K	77.6	Confident	70	Confident	53 Å²	53	83 Å²	83	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-63.6	-51.7	172.6	-80.2	171.9	174.4	175.2	0	111	I387 E388 R393 L394 D395	I387-K391 HydrophobicContact CG2-CD 4.08Å; I387-K391 WeakPolarHBondContact O-CB 3.43Å; I387-K391 VanDerWaalsContact O-CG 3.31Å; I387-K391 WeakPolarHBondContact O-CG 3.46Å; I387-K391 PolarHBondContact O-N 3.34Å; E388-K391 PolarHBondContact O-N 2.99Å; K391-R393 VanDerWaalsContact C-N 3.3Å; K391-R393 PolarHBondContact O-N 3.03Å; K391-L394 CarbonylContact O-C 3.6Å; K391-L394 WeakPolarHBondContact O-CA 3.49Å; K391-L394 WeakPolarHBondContact O-CB 3.46Å; K391-L394 PolarHBondContact O-N 2.87Å; K391-D395 PolarHBondContact O-N 3.36Å
392	R	75.5	Confident	67.9	Low	145 Å²	145	86.3 Å²	86.3	55%	0.547	44%	0.436	S	S	.	.	H	α-helix	trans	-54.1	-44.9	175.2	-81.4	178.3	-105.8	173.8	-8.6	112	E388 L394 D395 E396	E388-R392 PolarHBondContact O-N 3.24Å; E388-R392 IonicContact OE2-CZ 3.1Å; E388-R392 IonicContact OE2-NH2 2.66Å; E388-R392 PolarHBondContact OE2-NH2 3.07Å; R392-L394 VanDerWaalsContact C-N 3.33Å; R392-L394 PolarHBondContact O-N 2.9Å; R392-D395 PolarHBondContact O-N 2.95Å; R392-E396 WeakPolarHBondContact O-CB 3.44Å; R392-E396 WeakPolarHBondContact O-CG 3.45Å; R392-E396 PolarHBondContact O-N 3.32Å
393	R	70.1	Confident	66	Low	156 Å²	156	87.7 Å²	87.7	59%	0.589	44%	0.442	S	S	*	.	H	α-helix	trans	-68	-26.3	175.5	-72.1	-174.3	66.1	-170	-1.3	114.6	C389 K391 V397	C389-R393 WeakPolarHBondContact O-CG 3.41Å; C389-R393 PolarHBondContact O-N 3.44Å; K391-R393 VanDerWaalsContact C-N 3.3Å; K391-R393 PolarHBondContact O-N 3.03Å; R393-V397 VanDerWaalsContact O-CG2 3.26Å; R393-V397 WeakPolarHBondContact O-CG2 3.28Å; R393-V397 PolarHBondContact O-N 2.92Å
394	L	66.4	Low	63.8	Low	37 Å²	37	90.7 Å²	90.7	19%	0.194	46%	0.463	C	S	.	.	H	α-helix	trans	-74.9	-45.5	171.2	-179	65.4	0	0	0	110.5	L390 K391 R392 E396 V397 E398	L390-L394 WeakPolarHBondContact O-CB 3.42Å; L390-L394 PolarHBondContact O-N 2.78Å; K391-L394 CarbonylContact O-C 3.6Å; K391-L394 WeakPolarHBondContact O-CA 3.49Å; K391-L394 WeakPolarHBondContact O-CB 3.46Å; K391-L394 PolarHBondContact O-N 2.87Å; R392-L394 VanDerWaalsContact C-N 3.33Å; R392-L394 PolarHBondContact O-N 2.9Å; L394-E396 VanDerWaalsContact C-N 3.3Å; L394-E396 PolarHBondContact O-N 2.86Å; L394-V397 CarbonylContact O-C 3.55Å; L394-V397 PolarHBondContact O-N 2.99Å; L394-V397 VanDerWaalsContact O-N 3.1Å; L394-E398 HydrophobicContact CD1-CG 4.31Å; L394-E398 PolarHBondContact O-N 3.36Å
395	D	70	Confident	61.5	Low	70 Å²	70	94.5 Å²	94.5	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-36.6	177.7	-55.6	-35.5	0	0	0	110.5	K391 R392 A399 R874	K391-D395 PolarHBondContact O-N 3.36Å; R392-D395 PolarHBondContact O-N 2.95Å; D395-A399 WeakPolarHBondContact O-CB 3.35Å; D395-A399 PolarHBondContact O-N 2.79Å; D395-R874 IonicContact OD1-NH2 2.68Å
396	E	70.4	Confident	59.3	Low	118 Å²	118	93.1 Å²	93.1	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-61.5	-42.1	169.4	-77.7	163.8	-166.7	0	0	112.8	R392 L394 A400	R392-E396 WeakPolarHBondContact O-CB 3.44Å; R392-E396 WeakPolarHBondContact O-CG 3.45Å; R392-E396 PolarHBondContact O-N 3.32Å; L394-E396 VanDerWaalsContact C-N 3.3Å; L394-E396 PolarHBondContact O-N 2.86Å; E396-A400 WeakPolarHBondContact O-CB 3.38Å; E396-A400 PolarHBondContact O-N 2.82Å
397	V	59.7	Low	56.9	Low	79 Å²	79	96.5 Å²	96.5	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-73.9	-36.3	178.5	166.2	0	0	0	0	111.6	R393 L394 N401	R393-V397 VanDerWaalsContact O-CG2 3.26Å; R393-V397 WeakPolarHBondContact O-CG2 3.28Å; R393-V397 PolarHBondContact O-N 2.92Å; L394-V397 CarbonylContact O-C 3.55Å; L394-V397 PolarHBondContact O-N 2.99Å; L394-V397 VanDerWaalsContact O-N 3.1Å; V397-N401 WeakPolarHBondContact O-CB 3.45Å; V397-N401 VanDerWaalsContact O-CG 3.3Å; V397-N401 PolarHBondContact O-N 3.47Å; V397-N401 VanDerWaalsContact O-N 3.11Å; V397-N401 PolarHBondContact O-ND2 3.19Å
398	E	56.5	Low	54.9	Low	87 Å²	87	100.3 Å²	100.3	41%	0.407	53%	0.528	S	S	.	.	H	α-helix	trans	-72.7	-34.2	175	-67.8	-172.9	176.2	0	0	110.8	R142 L394 N401 F402	R142-E398 IonicContact NH2-OE1 2.73Å; R142-E398 PolarHBondContact NH2-OE1 3.25Å; L394-E398 HydrophobicContact CD1-CG 4.31Å; L394-E398 PolarHBondContact O-N 3.36Å; E398-N401 PolarHBondContact O-N 3.32Å; E398-F402 PolarHBondContact O-N 2.83Å; E398-F402 VanDerWaalsContact O-N 3.11Å
399	A	58.9	Low	52.8	Low	63 Å²	63	102.7 Å²	102.7	52%	0.521	55%	0.547	S	S	.	.	H	α-helix	trans	-69.9	-40	170.6	0	0	0	0	0	113.4	D395 N401 F402	D395-A399 WeakPolarHBondContact O-CB 3.35Å; D395-A399 PolarHBondContact O-N 2.79Å; A399-N401 PolarHBondContact O-N 2.93Å; A399-F402 WeakPolarHBondContact O-CA 3.49Å; A399-F402 WeakPolarHBondContact O-CB 3.31Å; A399-F402 PolarHBondContact O-N 3.33Å
400	A	54.5	Low	50.8	Low	70 Å²	70	106.9 Å²	106.9	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-67.6	-21.1	174.1	0	0	0	0	0	113.1	E396 I403	E396-A400 WeakPolarHBondContact O-CB 3.38Å; E396-A400 PolarHBondContact O-N 2.82Å; A400-I403 WeakPolarHBondContact O-CG1 3.2Å
401	N	44.8	Very low	49.4	Very low	108 Å²	108	113.9 Å²	113.9	58%	0.578	60%	0.597	S	S	*	*	H	α-helix	trans	-88	-11.3	169.8	-72.8	-42.8	0	0	0	113.2	V397 E398 A399 I403	V397-N401 WeakPolarHBondContact O-CB 3.45Å; V397-N401 VanDerWaalsContact O-CG 3.3Å; V397-N401 PolarHBondContact O-N 3.47Å; V397-N401 VanDerWaalsContact O-N 3.11Å; V397-N401 PolarHBondContact O-ND2 3.19Å; E398-N401 PolarHBondContact O-N 3.32Å; A399-N401 PolarHBondContact O-N 2.93Å; N401-I403 PolarHBondContact O-N 3.43Å
402	F	36.4	Very low	47.6	Very low	188 Å²	188	116.1 Å²	116.1	83%	0.825	62%	0.618	S	S	*	*			trans	-75.8	58.3	159.6	-100.8	-86	0	0	0	110.1	E398 A399 D404	E398-F402 PolarHBondContact O-N 2.83Å; E398-F402 VanDerWaalsContact O-N 3.11Å; A399-F402 WeakPolarHBondContact O-CA 3.49Å; A399-F402 WeakPolarHBondContact O-CB 3.31Å; A399-F402 PolarHBondContact O-N 3.33Å; F402-D404 PolarHBondContact O-N 3.33Å
403	I	36.8	Very low	46.2	Very low	119 Å²	119	111.8 Å²	111.8	61%	0.61	61%	0.609	S	S	*	*			trans	-65.2	119.6	165.1	-61	178.6	0	0	0	106.7	A400 N401 V405	A400-I403 WeakPolarHBondContact O-CG1 3.2Å; N401-I403 PolarHBondContact O-N 3.43Å; I403-V405 PolarHBondContact O-N 3.33Å
404	D	31.5	Very low	45.2	Very low	155 Å²	155	108.5 Å²	108.5	83%	0.829	60%	0.603	S	S	*	*			trans	-49	107.5	163.9	-101.6	-43.3	0	0	0	108	F402 P406	F402-D404 PolarHBondContact O-N 3.33Å; D404-P406 WeakPolarHBondContact O-CD 3.43Å
405	V	31.6	Very low	44.4	Very low	118 Å²	118	112.2 Å²	112.2	72%	0.715	62%	0.624	S	S	*	*			trans	-59.5	111.2	-175	176.7	0	0	0	0	107.6	I403 Q407	I403-V405 PolarHBondContact O-N 3.33Å; V405-Q407 PolarHBondContact O-N 3.09Å
406	P	32.6	Very low	43.1	Very low	103 Å²	103	110.1 Å²	110.1	67%	0.669	62%	0.616	S	S	*	*			trans	-61.6	131.4	-175.2	-22.3	34.2	0	0	0	108.6	D404 P408	D404-P406 WeakPolarHBondContact O-CD 3.43Å; P406-P408 WeakPolarHBondContact O-CD 3.23Å
407	Q	26.6	Very low	41.9	Very low	163 Å²	163	104.7 Å²	104.7	76%	0.762	59%	0.591	S	S	*	*			trans	-46.7	112.2	-174.2	-72.7	-175.6	-4.2	0	0	111.1	V405 T409	V405-Q407 PolarHBondContact O-N 3.09Å; Q407-T409 VanDerWaalsContact C-N 3.29Å; Q407-T409 PolarHBondContact O-N 2.99Å
408	P	33.1	Very low	41.4	Very low	104 Å²	104	105 Å²	105	68%	0.675	59%	0.593	S	S	*	*			trans	-74.9	87.7	176.6	-14.3	30.9	0	0	0	108.5	P406 N410	P406-P408 WeakPolarHBondContact O-CD 3.23Å; P408-N410 PolarHBondContact O-N 2.99Å; P408-N410 VanDerWaalsContact O-N 3.13Å
409	T	31.9	Very low	41	Very low	120 Å²	120	106.3 Å²	106.3	74%	0.736	60%	0.599	S	S	*	*			trans	-62.9	113.3	171.9	50.2	0	0	0	0	108.9	Q407	Q407-T409 VanDerWaalsContact C-N 3.29Å; Q407-T409 PolarHBondContact O-N 2.99Å
410	N	32.4	Very low	40.2	Very low	153 Å²	153	103.8 Å²	103.8	82%	0.818	58%	0.578	S	S	*	*	S	Bend	trans	63	81.9	176.4	-59.7	-14.4	0	0	0	117.1	P408	P408-N410 PolarHBondContact O-N 2.99Å; P408-N410 VanDerWaalsContact O-N 3.13Å
411	H	39.5	Very low	40	Very low	183 Å²	183	106 Å²	106	85%	0.847	57%	0.574	S	S	*	*			trans	-136.8	152.9	150.5	-87.2	-6.6	0	0	0	111.1
412	C	41.4	Very low	40.1	Very low	99 Å²	99	105.8 Å²	105.8	67%	0.669	58%	0.577	S	S	*	*			trans	-53.5	137.7	-160.1	-72.4	0	0	0	0	116.4	N414	C412-N414 VanDerWaalsContact C-N 3.27Å; C412-N414 PolarHBondContact O-N 3.44Å
413	C	45.5	Very low	40.8	Very low	55 Å²	55	100.1 Å²	100.1	37%	0.372	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.7	-26.8	172.1	-59.5	0	0	0	0	112.7	D415 A416 A417 I460	C413-D415 VanDerWaalsContact C-N 3.3Å; C413-D415 PolarHBondContact O-N 3.09Å; C413-A416 PolarHBondContact O-N 3.27Å; C413-A416 VanDerWaalsContact O-N 3.15Å; C413-A417 PolarHBondContact O-N 3.24Å; C413-I460 HydrophobicContact CB-CG2 3.53Å
414	N	48.6	Very low	41.4	Very low	86 Å²	86	96.5 Å²	96.5	46%	0.46	54%	0.538	S	S	.	.	H	α-helix	trans	-59.2	-36.1	-174.7	-54.3	31.8	0	0	0	113	C412 A416 A417 V418	C412-N414 VanDerWaalsContact C-N 3.27Å; C412-N414 PolarHBondContact O-N 3.44Å; N414-A416 VanDerWaalsContact C-N 3.3Å; N414-A416 PolarHBondContact O-N 3.37Å; N414-A417 PolarHBondContact O-N 3.1Å; N414-V418 WeakPolarHBondContact O-CG2 3.47Å; N414-V418 PolarHBondContact O-N 3.08Å
415	D	50.4	Low	42.6	Very low	116 Å²	116	93.5 Å²	93.5	62%	0.62	52%	0.522	S	S	*	.	H	α-helix	trans	-64.6	-35	179.9	-113.3	-10.9	0	0	0	112.1	C413 Q419	C413-D415 VanDerWaalsContact C-N 3.3Å; C413-D415 PolarHBondContact O-N 3.09Å; D415-Q419 WeakPolarHBondContact O-CG 3.47Å; D415-Q419 PolarHBondContact O-N 2.93Å; D415-Q419 VanDerWaalsContact O-N 3.09Å
416	A	42.9	Very low	43.7	Very low	25 Å²	25	89.9 Å²	89.9	21%	0.207	50%	0.504	C	S	.	.	H	α-helix	trans	-79.2	-31	179.2	0	0	0	0	0	112.4	C413 N414 Q419 C420 L579	C413-A416 PolarHBondContact O-N 3.27Å; C413-A416 VanDerWaalsContact O-N 3.15Å; N414-A416 VanDerWaalsContact C-N 3.3Å; N414-A416 PolarHBondContact O-N 3.37Å; A416-Q419 PolarHBondContact O-N 3.2Å; A416-C420 PolarHBondContact O-N 3.33Å; A416-C420 PolarHBondContact O-SG 3.04Å; A416-L579 HydrophobicContact CB-CD1 3.94Å; A416-L579 HydrophobicContact CB-CD2 3.48Å; A416-L579 VanDerWaalsContact CB-CD2 3.48Å; A416-L579 HydrophobicContact CB-CG 4.12Å
417	A	44.2	Very low	44.7	Very low	5 Å²	5	94.2 Å²	94.2	4%	0.041	52%	0.515	C	S	.	.	H	α-helix	trans	-63.5	-42.2	169.5	0	0	0	0	0	111.2	C413 N414 Q419 C420 K421 T457 I460	C413-A417 PolarHBondContact O-N 3.24Å; N414-A417 PolarHBondContact O-N 3.1Å; A417-Q419 VanDerWaalsContact C-N 3.32Å; A417-Q419 PolarHBondContact O-N 2.84Å; A417-C420 PolarHBondContact O-N 3.36Å; A417-K421 PolarHBondContact O-N 3.05Å; A417-K421 VanDerWaalsContact O-N 3.15Å; A417-T457 HydrophobicContact CB-CG2 4.17Å; A417-I460 HydrophobicContact CB-CB 4.19Å; A417-I460 HydrophobicContact CB-CG2 3.78Å
418	V	50	Low	46.1	Very low	86 Å²	86	91.4 Å²	91.4	52%	0.521	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-36.3	171.5	172.3	0	0	0	0	112.1	N414 K421 T422	N414-V418 WeakPolarHBondContact O-CG2 3.47Å; N414-V418 PolarHBondContact O-N 3.08Å; V418-K421 PolarHBondContact O-N 2.85Å; V418-T422 HydrophobicContact CG1-CG2 4.4Å; V418-T422 WeakPolarHBondContact O-CB 3.2Å; V418-T422 VanDerWaalsContact O-CG2 3.31Å; V418-T422 WeakPolarHBondContact O-CG2 3.46Å; V418-T422 PolarHBondContact O-N 3.4Å; V418-T422 PolarHBondContact O-OG1 2.65Å
419	Q	46.7	Very low	47.3	Very low	114 Å²	114	89 Å²	89	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-66.6	-40.2	174.8	-74.4	177.8	39.1	0	0	112.9	D415 A416 A417 K421 T422	D415-Q419 WeakPolarHBondContact O-CG 3.47Å; D415-Q419 PolarHBondContact O-N 2.93Å; D415-Q419 VanDerWaalsContact O-N 3.09Å; A416-Q419 PolarHBondContact O-N 3.2Å; A417-Q419 VanDerWaalsContact C-N 3.32Å; A417-Q419 PolarHBondContact O-N 2.84Å; Q419-K421 VanDerWaalsContact C-N 3.32Å; Q419-K421 PolarHBondContact O-N 2.99Å; Q419-T422 PolarHBondContact O-N 2.84Å; Q419-T422 PolarHBondContact O-OG1 2.89Å
420	C	43.2	Very low	48.7	Very low	10 Å²	10	91.7 Å²	91.7	7%	0.068	49%	0.493	C	S	.	.	H	α-helix	trans	-61	-41.3	174.4	-63	0	0	0	0	111.8	A416 A417 T422 T575	A416-C420 PolarHBondContact O-N 3.33Å; A416-C420 PolarHBondContact O-SG 3.04Å; A417-C420 PolarHBondContact O-N 3.36Å; C420-T422 VanDerWaalsContact C-N 3.31Å; C420-T422 PolarHBondContact O-N 3.02Å; C420-T575 WeakPolarHBondContact SG-CG2 3.35Å
421	K	50	Low	50.1	Low	115 Å²	115	85.2 Å²	85.2	50%	0.5	46%	0.457	S	S	.	.	H	α-helix	trans	-79.4	-2.5	-175.8	-146.2	-176	-172.7	86.2	0	114.8	A417 V418 Q419 D454 T457	A417-K421 PolarHBondContact O-N 3.05Å; A417-K421 VanDerWaalsContact O-N 3.15Å; V418-K421 PolarHBondContact O-N 2.85Å; Q419-K421 VanDerWaalsContact C-N 3.32Å; Q419-K421 PolarHBondContact O-N 2.99Å; K421-D454 IonicContact NZ-OD1 2.69Å; K421-D454 PolarHBondContact NZ-OD1 3.08Å; K421-T457 HydrophobicContact CD-CG2 4.2Å
422	T	47.2	Very low	51.1	Low	104 Å²	104	77.2 Å²	77.2	64%	0.638	42%	0.421	S	S	*	.	H	α-helix	trans	-114	-4.8	-174.2	46.8	0	0	0	0	115.1	V418 Q419 C420	V418-T422 HydrophobicContact CG1-CG2 4.4Å; V418-T422 WeakPolarHBondContact O-CB 3.2Å; V418-T422 VanDerWaalsContact O-CG2 3.31Å; V418-T422 WeakPolarHBondContact O-CG2 3.46Å; V418-T422 PolarHBondContact O-N 3.4Å; V418-T422 PolarHBondContact O-OG1 2.65Å; Q419-T422 PolarHBondContact O-N 2.84Å; Q419-T422 PolarHBondContact O-OG1 2.89Å; C420-T422 VanDerWaalsContact C-N 3.31Å; C420-T422 PolarHBondContact O-N 3.02Å
423	T	49.8	Very low	52	Low	70 Å²	70	76.2 Å²	76.2	43%	0.429	42%	0.42	S	S	.	.	H	α-helix	trans	-103.8	-21.3	-175.9	50.1	0	0	0	0	115.1	E572	T423-E572 VanDerWaalsContact CB-OE1 3.29Å; T423-E572 WeakPolarHBondContact CB-OE1 3.5Å; T423-E572 PolarHBondContact OG1-OE1 2.99Å
424	F	51	Low	52.4	Low	43 Å²	43	75 Å²	75	19%	0.189	41%	0.409	C	S	.	.			trans	-127.9	114.9	-178.3	-159.7	-83.8	0	0	0	111.1	A426 F429 I450 V565	F424-A426 PolarHBondContact O-N 3.26Å; F424-F429 HydrophobicContact CE1-CB 4.1Å; F424-F429 HydrophobicContact CE1-CD1 4.21Å; F424-F429 HydrophobicContact CE1-CG 4.23Å; F424-F429 HydrophobicContact CZ-CB 4.26Å; F424-F429 AromaticContact CZ-CD1 3.82Å; F424-F429 HydrophobicContact CZ-CD1 3.82Å; F424-F429 HydrophobicContact CZ-CE1 4.44Å; F424-F429 AromaticContact CZ-CG 3.91Å; F424-F429 HydrophobicContact CZ-CG 3.91Å; F424-I450 HydrophobicContact CD1-CD1 3.96Å; F424-I450 HydrophobicContact CD1-CG1 4.45Å; F424-I450 HydrophobicContact CE1-CD1 3.64Å; F424-I450 HydrophobicContact CE1-CG1 4.5Å; F424-V565 HydrophobicContact CE2-CG1 3.93Å; F424-V565 HydrophobicContact CZ-CG1 4.13Å
425	D	56.4	Low	53	Low	91 Å²	91	71 Å²	71	49%	0.487	39%	0.387	S	S	.	.			trans	-89.4	97.1	175	179.4	1.4	0	0	0	109.5	E427 T428 F429	D425-E427 PolarHBondContact OD1-N 3.32Å; D425-T428 PolarHBondContact OD1-N 3.25Å; D425-T428 VanDerWaalsContact OD2-CG2 3.25Å; D425-T428 WeakPolarHBondContact OD2-CG2 3.14Å; D425-T428 PolarHBondContact OD2-OG1 2.93Å; D425-F429 WeakPolarHBondContact O-CB 3.07Å; D425-F429 PolarHBondContact O-N 2.92Å
426	A	53.4	Low	53.8	Low	42 Å²	42	67.7 Å²	67.7	35%	0.347	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-43.2	-178.6	0	0	0	0	0	113.2	F424 T428 F429 I450	F424-A426 PolarHBondContact O-N 3.26Å; A426-T428 VanDerWaalsContact C-N 3.26Å; A426-T428 PolarHBondContact O-N 3.18Å; A426-F429 PolarHBondContact O-N 3.14Å; A426-I450 HydrophobicContact CB-CD1 3.77Å; A426-I450 HydrophobicContact CB-CG1 4.46Å; A426-I450 HydrophobicContact CB-CG2 3.63Å
427	E	53.5	Low	54.7	Low	194 Å²	194	70 Å²	70	91%	0.907	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.7	-171.9	-63.7	-172.6	167.3	0	0	112.7	D425	D425-E427 PolarHBondContact OD1-N 3.32Å
428	T	56.7	Low	55.4	Low	105 Å²	105	70.3 Å²	70.3	64%	0.644	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-3.5	178.9	71.5	0	0	0	0	114.4	D425 A426	D425-T428 PolarHBondContact OD1-N 3.25Å; D425-T428 VanDerWaalsContact OD2-CG2 3.25Å; D425-T428 WeakPolarHBondContact OD2-CG2 3.14Å; D425-T428 PolarHBondContact OD2-OG1 2.93Å; A426-T428 VanDerWaalsContact C-N 3.26Å; A426-T428 PolarHBondContact O-N 3.18Å
429	F	59.3	Low	56.1	Low	53 Å²	53	66.9 Å²	66.9	23%	0.232	36%	0.363	C	S	.	.			trans	-87.1	132.3	179.7	-178.1	-106	0	0	0	112.8	F424 D425 A426 W431 T446 V565	F424-F429 HydrophobicContact CE1-CB 4.1Å; F424-F429 HydrophobicContact CE1-CD1 4.21Å; F424-F429 HydrophobicContact CE1-CG 4.23Å; F424-F429 HydrophobicContact CZ-CB 4.26Å; F424-F429 AromaticContact CZ-CD1 3.82Å; F424-F429 HydrophobicContact CZ-CD1 3.82Å; F424-F429 HydrophobicContact CZ-CE1 4.44Å; F424-F429 AromaticContact CZ-CG 3.91Å; F424-F429 HydrophobicContact CZ-CG 3.91Å; D425-F429 WeakPolarHBondContact O-CB 3.07Å; D425-F429 PolarHBondContact O-N 2.92Å; A426-F429 PolarHBondContact O-N 3.14Å; F429-W431 AromaticContact CE1-CD1 3.88Å; F429-W431 AromaticContact CE1-CD2 3.63Å; F429-W431 HydrophobicContact CE1-CD2 3.63Å; F429-W431 AromaticContact CE1-CE2 3.56Å; F429-W431 HydrophobicContact CE1-CE3 4.19Å; F429-W431 AromaticContact CE1-CG 3.81Å; F429-W431 HydrophobicContact CE1-CG 3.81Å; F429-W431 HydrophobicContact CE1-CH2 4.48Å; F429-W431 HydrophobicContact CE1-CZ2 4.01Å; F429-W431 AromaticContact CE1-NE1 3.74Å; F429-W431 HydrophobicContact CZ-CB 4.49Å; F429-W431 AromaticContact CZ-CD2 3.62Å; F429-W431 HydrophobicContact CZ-CD2 3.62Å; F429-W431 AromaticContact CZ-CE2 3.95Å; F429-W431 AromaticContact CZ-CE3 3.71Å; F429-W431 HydrophobicContact CZ-CE3 3.71Å; F429-W431 AromaticContact CZ-CG 3.99Å; F429-W431 HydrophobicContact CZ-CG 3.99Å; F429-W431 HydrophobicContact CZ-CH2 4.34Å; F429-W431 HydrophobicContact CZ-CZ2 4.31Å; F429-W431 HydrophobicContact CZ-CZ3 4.08Å; F429-T446 HydrophobicContact CD1-CG2 4.49Å; F429-V565 HydrophobicContact CD2-CG1 4.37Å; F429-V565 HydrophobicContact CD2-CG2 4.34Å; F429-V565 HydrophobicContact CE1-CG1 3.95Å; F429-V565 HydrophobicContact CE2-CB 4.28Å; F429-V565 HydrophobicContact CE2-CG1 3.73Å; F429-V565 HydrophobicContact CE2-CG2 3.58Å; F429-V565 HydrophobicContact CZ-CB 4.31Å; F429-V565 HydrophobicContact CZ-CG1 3.5Å; F429-V565 VanDerWaalsContact CZ-CG1 3.5Å; F429-V565 HydrophobicContact CZ-CG2 4.06Å
430	Q	60.9	Low	56.9	Low	176 Å²	176	65.3 Å²	65.3	82%	0.822	36%	0.363	S	S	*	.			trans	-135.3	131.3	169.4	-68.7	-174.6	-14.2	0	0	109.5
431	W	62.5	Low	58.1	Low	18 Å²	18	65.8 Å²	65.8	7%	0.068	37%	0.369	C	S	.	.			trans	-62.4	144.7	172.1	-74	110.4	0	0	0	110.9	F429 A433 V435 L436 L442 T446 A562 V565 M566	F429-W431 AromaticContact CE1-CD1 3.88Å; F429-W431 AromaticContact CE1-CD2 3.63Å; F429-W431 HydrophobicContact CE1-CD2 3.63Å; F429-W431 AromaticContact CE1-CE2 3.56Å; F429-W431 HydrophobicContact CE1-CE3 4.19Å; F429-W431 AromaticContact CE1-CG 3.81Å; F429-W431 HydrophobicContact CE1-CG 3.81Å; F429-W431 HydrophobicContact CE1-CH2 4.48Å; F429-W431 HydrophobicContact CE1-CZ2 4.01Å; F429-W431 AromaticContact CE1-NE1 3.74Å; F429-W431 HydrophobicContact CZ-CB 4.49Å; F429-W431 AromaticContact CZ-CD2 3.62Å; F429-W431 HydrophobicContact CZ-CD2 3.62Å; F429-W431 AromaticContact CZ-CE2 3.95Å; F429-W431 AromaticContact CZ-CE3 3.71Å; F429-W431 HydrophobicContact CZ-CE3 3.71Å; F429-W431 AromaticContact CZ-CG 3.99Å; F429-W431 HydrophobicContact CZ-CG 3.99Å; F429-W431 HydrophobicContact CZ-CH2 4.34Å; F429-W431 HydrophobicContact CZ-CZ2 4.31Å; F429-W431 HydrophobicContact CZ-CZ3 4.08Å; W431-A433 PolarHBondContact O-N 3.49Å; W431-V435 HydrophobicContact CE3-CG1 3.92Å; W431-V435 HydrophobicContact CZ3-CG1 4.47Å; W431-L436 HydrophobicContact CB-CD1 4.1Å; W431-L436 HydrophobicContact CB-CD2 3.68Å; W431-L436 HydrophobicContact CB-CG 3.68Å; W431-L436 HydrophobicContact CG-CD2 3.99Å; W431-L442 HydrophobicContact CD2-CD2 3.72Å; W431-L442 HydrophobicContact CD2-CG 4.25Å; W431-L442 HydrophobicContact CE3-CD2 3.95Å; W431-L442 HydrophobicContact CG-CD2 4.34Å; W431-L442 HydrophobicContact CH2-CD2 4.13Å; W431-L442 HydrophobicContact CZ2-CD2 3.86Å; W431-L442 HydrophobicContact CZ2-CG 4Å; W431-L442 HydrophobicContact CZ3-CD2 4.15Å; W431-L442 PolarHBondContact NE1-O 2.97Å; W431-T446 PolarHBondContact NE1-OG1 3.48Å; W431-A562 HydrophobicContact CZ3-CB 4.21Å; W431-V565 HydrophobicContact CH2-CB 4.09Å; W431-V565 HydrophobicContact CH2-CG1 3.46Å; W431-V565 VanDerWaalsContact CH2-CG1 3.46Å; W431-V565 HydrophobicContact CZ2-CG1 4.06Å; W431-V565 HydrophobicContact CZ3-CB 4.09Å; W431-V565 HydrophobicContact CZ3-CG1 3.82Å; W431-M566 HydrophobicContact CH2-CG 3.66Å; W431-M566 HydrophobicContact CH2-SD 3.57Å; W431-M566 VanDerWaalsContact CH2-SD 3.57Å; W431-M566 HydrophobicContact CZ2-SD 4Å; W431-M566 HydrophobicContact CZ3-CG 4.21Å
432	P	58.5	Low	59.2	Low	15 Å²	15	60.4 Å²	60.4	10%	0.097	35%	0.346	C	S	.	.			trans	-55.9	135	167	-23.8	34.8	0	0	0	110.7	F434 V435 L436 Q558	P432-F434 PolarHBondContact O-N 2.89Å; P432-V435 HydrophobicContact CB-CB 4.29Å; P432-V435 HydrophobicContact CB-CG2 3.89Å; P432-V435 HydrophobicContact CG-CB 4.47Å; P432-V435 HydrophobicContact CG-CG2 3.88Å; P432-V435 WeakPolarHBondContact O-CA 3.25Å; P432-V435 WeakPolarHBondContact O-CB 3.43Å; P432-V435 PolarHBondContact O-N 3.27Å; P432-L436 PolarHBondContact O-N 3.13Å; P432-L436 VanDerWaalsContact O-N 3.1Å; P432-Q558 HydrophobicContact CB-CB 3.73Å; P432-Q558 HydrophobicContact CG-CB 3.79Å; P432-Q558 WeakPolarHBondContact CG-O 3.27Å
433	A	60.7	Low	60.3	Low	77 Å²	77	59.2 Å²	59.2	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-55.2	-29.8	178.1	0	0	0	0	0	113	W431 S437	W431-A433 PolarHBondContact O-N 3.49Å; A433-S437 PolarHBondContact O-N 3.16Å
434	F	54.3	Low	61.4	Low	30 Å²	30	56.8 Å²	56.8	13%	0.132	32%	0.323	C	S	.	.	H	α-helix	trans	-69.5	-36.2	173.3	176.9	-114.9	0	0	0	113.5	P432 S437 M438 C559	P432-F434 PolarHBondContact O-N 2.89Å; F434-S437 WeakPolarHBondContact CA-OG 3.35Å; F434-S437 PolarHBondContact O-N 2.81Å; F434-S437 PolarHBondContact O-OG 2.96Å; F434-M438 HydrophobicContact CD1-CE 3.72Å; F434-M438 HydrophobicContact CD1-SD 4.37Å; F434-M438 HydrophobicContact CE1-CE 3.37Å; F434-M438 HydrophobicContact CE1-CG 4.38Å; F434-M438 HydrophobicContact CE1-SD 3.55Å; F434-M438 VanDerWaalsContact CE1-SD 3.55Å; F434-M438 HydrophobicContact CE2-CG 3.95Å; F434-M438 HydrophobicContact CE2-SD 4.06Å; F434-M438 HydrophobicContact CZ-CE 3.83Å; F434-M438 HydrophobicContact CZ-CG 3.89Å; F434-M438 HydrophobicContact CZ-SD 3.35Å; F434-M438 WeakPolarHBondContact CZ-SD 3.29Å; F434-M438 PolarHBondContact O-N 2.92Å; F434-M438 VanDerWaalsContact O-N 3.11Å; F434-C559 WeakPolarHBondContact CD1-SG 3.31Å
435	V	60.9	Low	62.4	Low	2 Å²	2	55.2 Å²	55.2	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-68.2	-41.5	175.6	178.2	0	0	0	0	110	W431 P432 S437 M438 F439 L442 A562 M617	W431-V435 HydrophobicContact CE3-CG1 3.92Å; W431-V435 HydrophobicContact CZ3-CG1 4.47Å; P432-V435 HydrophobicContact CB-CB 4.29Å; P432-V435 HydrophobicContact CB-CG2 3.89Å; P432-V435 HydrophobicContact CG-CB 4.47Å; P432-V435 HydrophobicContact CG-CG2 3.88Å; P432-V435 WeakPolarHBondContact O-CA 3.25Å; P432-V435 WeakPolarHBondContact O-CB 3.43Å; P432-V435 PolarHBondContact O-N 3.27Å; V435-S437 VanDerWaalsContact C-N 3.26Å; V435-S437 PolarHBondContact O-N 3.28Å; V435-M438 HydrophobicContact CG2-CE 4.31Å; V435-M438 PolarHBondContact O-N 2.93Å; V435-M438 VanDerWaalsContact O-N 3.14Å; V435-F439 HydrophobicContact CG1-CD2 4.13Å; V435-F439 PolarHBondContact O-N 3.48Å; V435-L442 HydrophobicContact CG1-CD2 3.56Å; V435-A562 HydrophobicContact CG2-CB 3.75Å; V435-M617 HydrophobicContact CG1-SD 4.3Å
436	L	66.6	Low	63.1	Low	46 Å²	46	51.1 Å²	51.1	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-30.8	172.3	-63	178.3	0	0	0	112.8	W431 P432 F439 L442 D443	W431-L436 HydrophobicContact CB-CD1 4.1Å; W431-L436 HydrophobicContact CB-CD2 3.68Å; W431-L436 HydrophobicContact CB-CG 3.68Å; W431-L436 HydrophobicContact CG-CD2 3.99Å; P432-L436 PolarHBondContact O-N 3.13Å; P432-L436 VanDerWaalsContact O-N 3.1Å; L436-F439 CarbonylContact O-C 3.55Å; L436-L442 HydrophobicContact CD2-CB 4.28Å; L436-D443 HydrophobicContact CD2-CB 3.75Å
437	S	63.1	Low	64	Low	75 Å²	75	55.6 Å²	55.6	52%	0.524	31%	0.308	S	S	.	.	H	α-helix	trans	-74.4	-22.5	173.9	70.3	0	0	0	0	114.5	A433 F434 V435	A433-S437 PolarHBondContact O-N 3.16Å; F434-S437 WeakPolarHBondContact CA-OG 3.35Å; F434-S437 PolarHBondContact O-N 2.81Å; F434-S437 PolarHBondContact O-OG 2.96Å; V435-S437 VanDerWaalsContact C-N 3.26Å; V435-S437 PolarHBondContact O-N 3.28Å
438	M	58.4	Low	64.9	Low	10 Å²	10	48.4 Å²	48.4	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-88.2	-31.9	171.6	-68.2	-175.3	-64	0	0	112.3	F434 V435 A620	F434-M438 HydrophobicContact CD1-CE 3.72Å; F434-M438 HydrophobicContact CD1-SD 4.37Å; F434-M438 HydrophobicContact CE1-CE 3.37Å; F434-M438 HydrophobicContact CE1-CG 4.38Å; F434-M438 HydrophobicContact CE1-SD 3.55Å; F434-M438 VanDerWaalsContact CE1-SD 3.55Å; F434-M438 HydrophobicContact CE2-CG 3.95Å; F434-M438 HydrophobicContact CE2-SD 4.06Å; F434-M438 HydrophobicContact CZ-CE 3.83Å; F434-M438 HydrophobicContact CZ-CG 3.89Å; F434-M438 HydrophobicContact CZ-SD 3.35Å; F434-M438 WeakPolarHBondContact CZ-SD 3.29Å; F434-M438 PolarHBondContact O-N 2.92Å; F434-M438 VanDerWaalsContact O-N 3.11Å; V435-M438 HydrophobicContact CG2-CE 4.31Å; V435-M438 PolarHBondContact O-N 2.93Å; V435-M438 VanDerWaalsContact O-N 3.14Å; M438-A620 HydrophobicContact SD-CB 4.39Å
439	F	64	Low	65.6	Low	14 Å²	14	43.6 Å²	43.6	6%	0.061	24%	0.244	C	C	.	.	S	Bend	trans	-131.8	80	-176.3	-54.1	-66.2	0	0	0	110.3	V435 L436 G441 L442 L613 M617	V435-F439 HydrophobicContact CG1-CD2 4.13Å; V435-F439 PolarHBondContact O-N 3.48Å; L436-F439 CarbonylContact O-C 3.55Å; F439-G441 PolarHBondContact O-N 3.19Å; F439-L442 HydrophobicContact CB-CB 4.04Å; F439-L442 HydrophobicContact CB-CD2 4.32Å; F439-L442 VanDerWaalsContact O-CB 3.29Å; F439-L442 WeakPolarHBondContact O-CB 3.14Å; F439-L442 PolarHBondContact O-N 3.06Å; F439-L613 HydrophobicContact CD1-CD2 3.57Å; F439-L613 HydrophobicContact CE1-CD2 3.34Å; F439-L613 HydrophobicContact CE2-CD2 4.4Å; F439-L613 HydrophobicContact CG-CD2 4.22Å; F439-L613 HydrophobicContact CZ-CD2 3.8Å; F439-M617 HydrophobicContact CE2-CG 3.88Å; F439-M617 HydrophobicContact CE2-SD 4.43Å
440	P	64.6	Low	66.1	Low	82 Å²	82	42.4 Å²	42.4	53%	0.532	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	137	174.4	-24.1	34.8	0	0	0	111.3	L442 T496	P440-L442 VanDerWaalsContact C-N 3.3Å; P440-L442 PolarHBondContact O-N 3.45Å; P440-T496 HydrophobicContact CG-CG2 4.48Å
441	G	69.2	Low	66.6	Low	19 Å²	19	39.2 Å²	39.2	20%	0.196	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	5.2	-178.5	0	0	0	0	0	115.2	F439 D443 A444 L445	F439-G441 PolarHBondContact O-N 3.19Å; G441-D443 VanDerWaalsContact C-OD1 3.29Å; G441-D443 VanDerWaalsContact CA-OD1 3.23Å; G441-D443 WeakPolarHBondContact CA-OD1 3.38Å; G441-D443 PolarHBondContact O-N 3.3Å; G441-A444 PolarHBondContact O-N 2.85Å; G441-L445 WeakPolarHBondContact O-CB 3.28Å; G441-L445 PolarHBondContact O-N 3.32Å
442	L	71.3	Confident	67.1	Low	3 Å²	3	38.4 Å²	38.4	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-30.2	172.8	-173.4	71	0	0	0	112.1	W431 V435 L436 F439 P440 T446	W431-L442 HydrophobicContact CD2-CD2 3.72Å; W431-L442 HydrophobicContact CD2-CG 4.25Å; W431-L442 HydrophobicContact CE3-CD2 3.95Å; W431-L442 HydrophobicContact CG-CD2 4.34Å; W431-L442 HydrophobicContact CH2-CD2 4.13Å; W431-L442 HydrophobicContact CZ2-CD2 3.86Å; W431-L442 HydrophobicContact CZ2-CG 4Å; W431-L442 HydrophobicContact CZ3-CD2 4.15Å; W431-L442 PolarHBondContact NE1-O 2.97Å; V435-L442 HydrophobicContact CG1-CD2 3.56Å; L436-L442 HydrophobicContact CD2-CB 4.28Å; F439-L442 HydrophobicContact CB-CB 4.04Å; F439-L442 HydrophobicContact CB-CD2 4.32Å; F439-L442 VanDerWaalsContact O-CB 3.29Å; F439-L442 WeakPolarHBondContact O-CB 3.14Å; F439-L442 PolarHBondContact O-N 3.06Å; P440-L442 VanDerWaalsContact C-N 3.3Å; P440-L442 PolarHBondContact O-N 3.45Å; L442-T446 VanDerWaalsContact O-CB 3.29Å; L442-T446 WeakPolarHBondContact O-CB 3.46Å; L442-T446 PolarHBondContact O-N 2.76Å; L442-T446 PolarHBondContact O-OG1 3.44Å
443	D	71.3	Confident	67.6	Low	79 Å²	79	38.6 Å²	38.6	42%	0.422	22%	0.221	S	C	.	.	H	α-helix	trans	-59.1	-57.3	166.3	45.6	-0.4	0	0	0	111.6	L436 G441 L445 T446 E447	L436-D443 HydrophobicContact CD2-CB 3.75Å; G441-D443 VanDerWaalsContact C-OD1 3.29Å; G441-D443 VanDerWaalsContact CA-OD1 3.23Å; G441-D443 WeakPolarHBondContact CA-OD1 3.38Å; G441-D443 PolarHBondContact O-N 3.3Å; D443-L445 VanDerWaalsContact C-N 3.35Å; D443-L445 PolarHBondContact O-N 3.45Å; D443-T446 WeakPolarHBondContact O-CB 3.44Å; D443-T446 PolarHBondContact O-N 3.03Å; D443-E447 PolarHBondContact O-N 2.91Å
444	A	73.6	Confident	67.9	Low	19 Å²	19	37.7 Å²	37.7	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-43.5	179	0	0	0	0	0	112.1	G441 T446 E447 Q448 Y487	G441-A444 PolarHBondContact O-N 2.85Å; A444-T446 VanDerWaalsContact C-N 3.28Å; A444-T446 PolarHBondContact O-N 2.89Å; A444-E447 PolarHBondContact O-N 3.04Å; A444-Q448 WeakPolarHBondContact O-CB 3.38Å; A444-Q448 VanDerWaalsContact O-CG 3.25Å; A444-Q448 WeakPolarHBondContact O-CG 3.49Å; A444-Q448 PolarHBondContact O-N 2.93Å; A444-Y487 HydrophobicContact CB-CE1 3.83Å; A444-Y487 HydrophobicContact CB-CE2 4.24Å
445	L	71.6	Confident	68.7	Low	9 Å²	9	38 Å²	38	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-40	173.9	-179.6	156.8	0	0	0	111.9	G441 D443 F449 Y487 F488 L491	G441-L445 WeakPolarHBondContact O-CB 3.28Å; G441-L445 PolarHBondContact O-N 3.32Å; D443-L445 VanDerWaalsContact C-N 3.35Å; D443-L445 PolarHBondContact O-N 3.45Å; L445-F449 WeakPolarHBondContact O-CB 3.34Å; L445-F449 PolarHBondContact O-N 3.33Å; L445-Y487 HydrophobicContact CB-CG 4.41Å; L445-F488 HydrophobicContact CD1-CD1 4.05Å; L445-F488 HydrophobicContact CD1-CE1 3.7Å; L445-F488 HydrophobicContact CD1-CZ 3.97Å; L445-F488 HydrophobicContact CD2-CE1 4.43Å; L445-F488 HydrophobicContact CD2-CZ 4.25Å; L445-F488 HydrophobicContact CG-CE1 4.34Å; L445-F488 HydrophobicContact CG-CZ 4.14Å; L445-L491 HydrophobicContact CD1-CD1 3.46Å; L445-L491 VanDerWaalsContact CD1-CD1 3.46Å
446	T	70	Confident	69.1	Low	6 Å²	6	38.1 Å²	38.1	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-44.2	179.5	-60	0	0	0	0	111	F429 W431 L442 D443 A444 F449 I450	F429-T446 HydrophobicContact CD1-CG2 4.49Å; W431-T446 PolarHBondContact NE1-OG1 3.48Å; L442-T446 VanDerWaalsContact O-CB 3.29Å; L442-T446 WeakPolarHBondContact O-CB 3.46Å; L442-T446 PolarHBondContact O-N 2.76Å; L442-T446 PolarHBondContact O-OG1 3.44Å; D443-T446 WeakPolarHBondContact O-CB 3.44Å; D443-T446 PolarHBondContact O-N 3.03Å; A444-T446 VanDerWaalsContact C-N 3.28Å; A444-T446 PolarHBondContact O-N 2.89Å; T446-F449 PolarHBondContact O-N 2.85Å; T446-I450 HydrophobicContact CG2-CD1 3.71Å; T446-I450 WeakPolarHBondContact O-CB 3.17Å; T446-I450 WeakPolarHBondContact O-CD1 3.5Å; T446-I450 WeakPolarHBondContact O-CG1 3.15Å; T446-I450 PolarHBondContact O-N 2.94Å
447	E	72.2	Confident	69.1	Low	135 Å²	135	36.7 Å²	36.7	63%	0.631	20%	0.204	S	C	*	.	H	α-helix	trans	-60.8	-50.6	175.7	-175.2	176.4	-162.7	0	0	111.8	D443 A444 F449 I450 F451	D443-E447 PolarHBondContact O-N 2.91Å; A444-E447 PolarHBondContact O-N 3.04Å; E447-F449 VanDerWaalsContact C-N 3.3Å; E447-F449 PolarHBondContact O-N 3.45Å; E447-I450 PolarHBondContact O-N 3.41Å; E447-F451 PolarHBondContact O-N 3.02Å
448	Q	73.7	Confident	69.3	Low	43 Å²	43	38 Å²	38	20%	0.201	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-34.5	176.8	-63.4	-59.5	-42	0	0	112.1	A444 F451 F452 H479 N483 L484 Y487	A444-Q448 WeakPolarHBondContact O-CB 3.38Å; A444-Q448 VanDerWaalsContact O-CG 3.25Å; A444-Q448 WeakPolarHBondContact O-CG 3.49Å; A444-Q448 PolarHBondContact O-N 2.93Å; Q448-F451 PolarHBondContact O-N 3.04Å; Q448-F452 WeakPolarHBondContact O-CB 3.36Å; Q448-F452 PolarHBondContact O-N 3.46Å; Q448-H479 PolarHBondContact OE1-CE1 3.28Å; Q448-N483 HydrophobicContact CG-CB 4.42Å; Q448-L484 HydrophobicContact CB-CD2 3.79Å; Q448-L484 HydrophobicContact CB-CG 3.99Å; Q448-Y487 HydrophobicContact CG-CE2 4.24Å
449	F	71.8	Confident	69.6	Low	4 Å²	4	38 Å²	38	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-72.8	-35.9	178.1	-175.1	-100	0	0	0	112.3	L445 T446 E447 F452 L453 L484 L569 I573	L445-F449 WeakPolarHBondContact O-CB 3.34Å; L445-F449 PolarHBondContact O-N 3.33Å; T446-F449 PolarHBondContact O-N 2.85Å; E447-F449 VanDerWaalsContact C-N 3.3Å; E447-F449 PolarHBondContact O-N 3.45Å; F449-F452 HydrophobicContact CD2-CD1 4.16Å; F449-F452 AromaticContact CE2-CD1 3.78Å; F449-F452 HydrophobicContact CE2-CD1 3.78Å; F449-F452 HydrophobicContact CE2-CE1 4.15Å; F449-F452 HydrophobicContact CZ-CD1 4.46Å; F449-F452 WeakPolarHBondContact O-CB 3.47Å; F449-F452 PolarHBondContact O-N 2.81Å; F449-L453 HydrophobicContact CD1-CD1 4.17Å; F449-L453 HydrophobicContact CD1-CG 4.21Å; F449-L453 HydrophobicContact CE1-CD1 3.57Å; F449-L453 HydrophobicContact CE1-CD2 4Å; F449-L453 HydrophobicContact CE1-CG 3.61Å; F449-L453 HydrophobicContact CZ-CD1 4.22Å; F449-L453 HydrophobicContact CZ-CD2 3.77Å; F449-L453 HydrophobicContact CZ-CG 3.84Å; F449-L453 WeakPolarHBondContact O-CG 3.44Å; F449-L453 PolarHBondContact O-N 3.05Å; F449-L484 HydrophobicContact CB-CD2 3.98Å; F449-L484 HydrophobicContact CD2-CD1 4.28Å; F449-L569 HydrophobicContact CD1-CD1 3.7Å; F449-L569 HydrophobicContact CD1-CG 4.38Å; F449-L569 HydrophobicContact CE1-CD1 4.17Å; F449-I573 HydrophobicContact CD1-CG1 4.31Å; F449-I573 HydrophobicContact CE1-CD1 4.45Å; F449-I573 HydrophobicContact CE1-CG1 3.5Å; F449-I573 HydrophobicContact CE2-CG1 3.86Å; F449-I573 HydrophobicContact CZ-CB 4.11Å; F449-I573 HydrophobicContact CZ-CD1 4.44Å; F449-I573 HydrophobicContact CZ-CG1 3.27Å
450	I	69	Low	69.7	Low	28 Å²	28	38.4 Å²	38.4	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-44.2	172.6	-71.7	161.5	0	0	0	110.2	F424 A426 T446 E447 F452 L453 D454	F424-I450 HydrophobicContact CD1-CD1 3.96Å; F424-I450 HydrophobicContact CD1-CG1 4.45Å; F424-I450 HydrophobicContact CE1-CD1 3.64Å; F424-I450 HydrophobicContact CE1-CG1 4.5Å; A426-I450 HydrophobicContact CB-CD1 3.77Å; A426-I450 HydrophobicContact CB-CG1 4.46Å; A426-I450 HydrophobicContact CB-CG2 3.63Å; T446-I450 HydrophobicContact CG2-CD1 3.71Å; T446-I450 WeakPolarHBondContact O-CB 3.17Å; T446-I450 WeakPolarHBondContact O-CD1 3.5Å; T446-I450 WeakPolarHBondContact O-CG1 3.15Å; T446-I450 PolarHBondContact O-N 2.94Å; E447-I450 PolarHBondContact O-N 3.41Å; I450-F452 VanDerWaalsContact C-N 3.32Å; I450-F452 PolarHBondContact O-N 3.49Å; I450-L453 CarbonylContact O-C 3.58Å; I450-L453 WeakPolarHBondContact O-CA 3.36Å; I450-L453 WeakPolarHBondContact O-CB 3.46Å; I450-L453 PolarHBondContact O-N 3.38Å; I450-D454 PolarHBondContact O-N 3.14Å
451	F	72	Confident	69.4	Low	109 Å²	109	36.6 Å²	36.6	48%	0.478	20%	0.204	S	C	.	.	H	α-helix	trans	-58.5	-43.6	173.7	-176.8	-87.7	0	0	0	111.7	E447 Q448 L453 D454 V455 H479	E447-F451 PolarHBondContact O-N 3.02Å; Q448-F451 PolarHBondContact O-N 3.04Å; F451-L453 VanDerWaalsContact C-N 3.35Å; F451-L453 PolarHBondContact O-N 2.81Å; F451-D454 PolarHBondContact O-N 3.47Å; F451-V455 HydrophobicContact CD1-CG2 4.02Å; F451-V455 HydrophobicContact CE1-CG2 3.63Å; F451-V455 HydrophobicContact CZ-CG2 3.95Å; F451-V455 WeakPolarHBondContact O-CG2 3.42Å; F451-V455 PolarHBondContact O-N 3.46Å; F451-H479 AromaticContact CD1-CE1 3.41Å; F451-H479 VanDerWaalsContact CD1-CE1 3.41Å; F451-H479 WeakPolarHBondContact CD1-CE1 3.42Å; F451-H479 AromaticContact CD1-NE2 3.4Å; F451-H479 WeakPolarHBondContact CD1-NE2 3.45Å; F451-H479 AromaticContact CE1-CE1 3.66Å; F451-H479 AromaticContact CE1-ND1 3.86Å; F451-H479 AromaticContact CE1-NE2 3.97Å
452	F	72.3	Confident	69	Low	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-40	172.1	170.9	-88.2	0	0	0	112.9	Q448 F449 I450 L456 L476 F480 L484 L580 L599 I603	Q448-F452 WeakPolarHBondContact O-CB 3.36Å; Q448-F452 PolarHBondContact O-N 3.46Å; F449-F452 HydrophobicContact CD2-CD1 4.16Å; F449-F452 AromaticContact CE2-CD1 3.78Å; F449-F452 HydrophobicContact CE2-CD1 3.78Å; F449-F452 HydrophobicContact CE2-CE1 4.15Å; F449-F452 HydrophobicContact CZ-CD1 4.46Å; F449-F452 WeakPolarHBondContact O-CB 3.47Å; F449-F452 PolarHBondContact O-N 2.81Å; I450-F452 VanDerWaalsContact C-N 3.32Å; I450-F452 PolarHBondContact O-N 3.49Å; F452-L456 HydrophobicContact CE1-CD2 4.31Å; F452-L456 VanDerWaalsContact O-CB 3.22Å; F452-L456 WeakPolarHBondContact O-CB 3.29Å; F452-L456 PolarHBondContact O-N 2.94Å; F452-L476 HydrophobicContact CD2-CD1 3.45Å; F452-L476 VanDerWaalsContact CD2-CD1 3.45Å; F452-L476 HydrophobicContact CD2-CG 3.93Å; F452-L476 HydrophobicContact CE2-CD1 3.66Å; F452-L476 HydrophobicContact CE2-CD2 4.02Å; F452-L476 HydrophobicContact CE2-CG 3.62Å; F452-L476 HydrophobicContact CG-CD1 4.19Å; F452-L476 HydrophobicContact CZ-CD2 4.39Å; F452-L476 HydrophobicContact CZ-CG 4.46Å; F452-F480 HydrophobicContact CD2-CB 4.02Å; F452-F480 AromaticContact CD2-CD2 3.76Å; F452-F480 HydrophobicContact CD2-CD2 3.76Å; F452-F480 HydrophobicContact CD2-CG 4.37Å; F452-F480 HydrophobicContact CE2-CB 3.95Å; F452-F480 AromaticContact CE2-CD2 3.59Å; F452-F480 HydrophobicContact CE2-CD2 3.59Å; F452-F480 HydrophobicContact CE2-CG 4.13Å; F452-F480 HydrophobicContact CG-CD2 4.35Å; F452-F480 HydrophobicContact CZ-CD2 4.06Å; F452-L484 HydrophobicContact CB-CD1 3.67Å; F452-L484 HydrophobicContact CD2-CD1 4.21Å; F452-L484 HydrophobicContact CG-CD1 3.95Å; F452-L580 HydrophobicContact CZ-CD1 4.36Å; F452-L599 HydrophobicContact CE2-CD1 4.08Å; F452-L599 HydrophobicContact CZ-CD1 4.21Å; F452-L599 HydrophobicContact CZ-CD2 4.4Å; F452-I603 HydrophobicContact CE1-CD1 4.36Å; F452-I603 HydrophobicContact CZ-CD1 3.98Å
453	L	68.9	Low	68.3	Low	19 Å²	19	45.7 Å²	45.7	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-38.5	174	-74.8	-176	0	0	0	112.7	F449 I450 F451 T457 E572 A576	F449-L453 HydrophobicContact CD1-CD1 4.17Å; F449-L453 HydrophobicContact CD1-CG 4.21Å; F449-L453 HydrophobicContact CE1-CD1 3.57Å; F449-L453 HydrophobicContact CE1-CD2 4Å; F449-L453 HydrophobicContact CE1-CG 3.61Å; F449-L453 HydrophobicContact CZ-CD1 4.22Å; F449-L453 HydrophobicContact CZ-CD2 3.77Å; F449-L453 HydrophobicContact CZ-CG 3.84Å; F449-L453 WeakPolarHBondContact O-CG 3.44Å; F449-L453 PolarHBondContact O-N 3.05Å; I450-L453 CarbonylContact O-C 3.58Å; I450-L453 WeakPolarHBondContact O-CA 3.36Å; I450-L453 WeakPolarHBondContact O-CB 3.46Å; I450-L453 PolarHBondContact O-N 3.38Å; F451-L453 VanDerWaalsContact C-N 3.35Å; F451-L453 PolarHBondContact O-N 2.81Å; L453-T457 VanDerWaalsContact O-CB 3.25Å; L453-T457 WeakPolarHBondContact O-CB 3.37Å; L453-T457 PolarHBondContact O-N 3.28Å; L453-T457 PolarHBondContact O-OG1 3.44Å; L453-E572 HydrophobicContact CD1-CB 4.04Å; L453-A576 HydrophobicContact CD2-CB 3.58Å
454	D	68.2	Low	68.1	Low	58 Å²	58	43.3 Å²	43.3	31%	0.31	25%	0.245	S	C	.	.	H	α-helix	trans	-67.6	-46.9	177.2	-87.6	-35.5	0	0	0	111.3	K421 I450 F451 L456 T457 D458	K421-D454 IonicContact NZ-OD1 2.69Å; K421-D454 PolarHBondContact NZ-OD1 3.08Å; I450-D454 PolarHBondContact O-N 3.14Å; F451-D454 PolarHBondContact O-N 3.47Å; D454-L456 VanDerWaalsContact C-N 3.34Å; D454-L456 PolarHBondContact O-N 3.36Å; D454-T457 WeakPolarHBondContact O-CB 3.48Å; D454-T457 PolarHBondContact O-N 3.1Å; D454-T457 VanDerWaalsContact O-N 3.11Å; D454-D458 PolarHBondContact O-N 2.61Å
455	V	69.6	Low	67.9	Low	37 Å²	37	45 Å²	45	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-41.7	175	179.8	0	0	0	0	111	F451 T457 D458 V459 L476	F451-V455 HydrophobicContact CD1-CG2 4.02Å; F451-V455 HydrophobicContact CE1-CG2 3.63Å; F451-V455 HydrophobicContact CZ-CG2 3.95Å; F451-V455 WeakPolarHBondContact O-CG2 3.42Å; F451-V455 PolarHBondContact O-N 3.46Å; V455-T457 VanDerWaalsContact C-N 3.31Å; V455-T457 PolarHBondContact O-N 3.42Å; V455-D458 PolarHBondContact O-N 3.04Å; V455-V459 VanDerWaalsContact O-CG2 3.32Å; V455-V459 WeakPolarHBondContact O-CG2 3.47Å; V455-V459 PolarHBondContact O-N 3.48Å; V455-L476 HydrophobicContact CB-CD1 3.89Å; V455-L476 HydrophobicContact CG1-CD1 3.77Å
456	L	69.8	Low	67.7	Low	5 Å²	5	49.2 Å²	49.2	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-36.9	174	178.1	59.6	0	0	0	112.4	F452 D454 V459 I460 L476 A576 L580	F452-L456 HydrophobicContact CE1-CD2 4.31Å; F452-L456 VanDerWaalsContact O-CB 3.22Å; F452-L456 WeakPolarHBondContact O-CB 3.29Å; F452-L456 PolarHBondContact O-N 2.94Å; D454-L456 VanDerWaalsContact C-N 3.34Å; D454-L456 PolarHBondContact O-N 3.36Å; L456-V459 PolarHBondContact O-N 3.2Å; L456-I460 HydrophobicContact CD1-CD1 3.94Å; L456-I460 HydrophobicContact CD1-CG1 4.37Å; L456-I460 HydrophobicContact CG-CD1 4.02Å; L456-I460 WeakPolarHBondContact O-CD1 3.28Å; L456-I460 VanDerWaalsContact O-CG1 3.26Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 3.12Å; L456-I460 VanDerWaalsContact O-N 3.1Å; L456-L476 HydrophobicContact CB-CD1 4.49Å; L456-L476 HydrophobicContact CB-CD2 4.22Å; L456-L476 HydrophobicContact CD1-CD2 3.97Å; L456-A576 HydrophobicContact CD2-CB 3.67Å; L456-L580 HydrophobicContact CD1-CD2 3.63Å; L456-L580 HydrophobicContact CD1-CG 4.24Å; L456-L580 HydrophobicContact CD2-CD1 4.29Å; L456-L580 HydrophobicContact CD2-CD2 4.3Å; L456-L580 HydrophobicContact CD2-CG 4.11Å
457	T	67	Low	67.7	Low	16 Å²	16	54.1 Å²	54.1	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-42.4	175.5	-66.2	0	0	0	0	111	A417 K421 L453 D454 V455 I460 G461	A417-T457 HydrophobicContact CB-CG2 4.17Å; K421-T457 HydrophobicContact CD-CG2 4.2Å; L453-T457 VanDerWaalsContact O-CB 3.25Å; L453-T457 WeakPolarHBondContact O-CB 3.37Å; L453-T457 PolarHBondContact O-N 3.28Å; L453-T457 PolarHBondContact O-OG1 3.44Å; D454-T457 WeakPolarHBondContact O-CB 3.48Å; D454-T457 PolarHBondContact O-N 3.1Å; D454-T457 VanDerWaalsContact O-N 3.11Å; V455-T457 VanDerWaalsContact C-N 3.31Å; V455-T457 PolarHBondContact O-N 3.42Å; T457-I460 PolarHBondContact O-N 2.65Å; T457-G461 PolarHBondContact O-N 3.45Å
458	D	65.9	Low	67.6	Low	103 Å²	103	50.9 Å²	50.9	55%	0.551	29%	0.288	S	S	*	.	H	α-helix	trans	-70.7	-35.3	178.2	-70.6	-7.4	0	0	0	112.1	D454 V455 I460 G461 G462	D454-D458 PolarHBondContact O-N 2.61Å; V455-D458 PolarHBondContact O-N 3.04Å; D458-I460 VanDerWaalsContact C-N 3.29Å; D458-I460 PolarHBondContact O-N 2.88Å; D458-G461 PolarHBondContact O-N 2.78Å; D458-G462 WeakPolarHBondContact O-CA 3.23Å; D458-G462 PolarHBondContact O-N 3.38Å
459	V	66	Low	67.3	Low	10 Å²	10	51.3 Å²	51.3	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-34.3	170.8	170.7	0	0	0	0	112.4	V455 L456 L472 I473	V455-V459 VanDerWaalsContact O-CG2 3.32Å; V455-V459 WeakPolarHBondContact O-CG2 3.47Å; V455-V459 PolarHBondContact O-N 3.48Å; L456-V459 PolarHBondContact O-N 3.2Å; V459-L472 HydrophobicContact CG2-CB 3.54Å; V459-L472 HydrophobicContact CG2-CD1 4.23Å; V459-L472 HydrophobicContact CG2-CG 4.4Å; V459-I473 HydrophobicContact CG1-CG1 4.05Å
460	I	65.4	Low	67.1	Low	22 Å²	22	54.5 Å²	54.5	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-81.5	-36.7	178.8	-68.9	167.5	0	0	0	111.8	C413 A417 L456 T457 D458 L579 I583	C413-I460 HydrophobicContact CB-CG2 3.53Å; A417-I460 HydrophobicContact CB-CB 4.19Å; A417-I460 HydrophobicContact CB-CG2 3.78Å; L456-I460 HydrophobicContact CD1-CD1 3.94Å; L456-I460 HydrophobicContact CD1-CG1 4.37Å; L456-I460 HydrophobicContact CG-CD1 4.02Å; L456-I460 WeakPolarHBondContact O-CD1 3.28Å; L456-I460 VanDerWaalsContact O-CG1 3.26Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 3.12Å; L456-I460 VanDerWaalsContact O-N 3.1Å; T457-I460 PolarHBondContact O-N 2.65Å; D458-I460 VanDerWaalsContact C-N 3.29Å; D458-I460 PolarHBondContact O-N 2.88Å; I460-L579 HydrophobicContact CD1-CB 3.96Å; I460-L579 HydrophobicContact CD1-CD1 4.03Å; I460-L579 HydrophobicContact CD1-CD2 4.37Å; I460-L579 HydrophobicContact CD1-CG 4.34Å; I460-I583 HydrophobicContact CD1-CD1 4.12Å; I460-I583 HydrophobicContact CG1-CD1 3.84Å
461	G	58.5	Low	67.2	Low	43 Å²	43	60.6 Å²	60.6	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-95.4	-13	-173	0	0	0	0	0	116.1	T457 D458	T457-G461 PolarHBondContact O-N 3.45Å; D458-G461 PolarHBondContact O-N 2.78Å
462	G	60	Low	67.1	Low	32 Å²	32	58.3 Å²	58.3	33%	0.33	32%	0.318	S	S	.	.	S	Bend	trans	-85.7	138.4	-174.6	0	0	0	0	0	114.8	D458 C464	D458-G462 WeakPolarHBondContact O-CA 3.23Å; D458-G462 PolarHBondContact O-N 3.38Å; G462-C464 PolarHBondContact O-N 2.97Å; G462-C464 PolarHBondContact O-SG 3.3Å
463	D	58.1	Low	66.9	Low	182 Å²	182	58.7 Å²	58.7	97%	0.973	32%	0.32	S	S	*	.			trans	-71.6	60	168	-70.8	-40.7	0	0	0	111.6
464	C	66	Low	67	Low	29 Å²	29	60.8 Å²	60.8	20%	0.196	33%	0.331	C	S	.	.			trans	-98.8	150.9	178.5	49.6	0	0	0	0	111.3	G462 D468 K469 L472	G462-C464 PolarHBondContact O-N 2.97Å; G462-C464 PolarHBondContact O-SG 3.3Å; C464-D468 HydrophobicContact CB-CB 3.99Å; C464-K469 HydrophobicContact CB-CG 4.45Å; C464-K469 VanDerWaalsContact O-CE 3.23Å; C464-K469 WeakPolarHBondContact O-CE 3.25Å; C464-K469 WeakPolarHBondContact SG-CG 3.24Å; C464-L472 HydrophobicContact CB-CD1 4.49Å
465	S	70.3	Confident	67.2	Low	54 Å²	54	62.3 Å²	62.3	38%	0.378	34%	0.339	S	S	.	.			trans	-68.2	163.3	175.3	74.3	0	0	0	0	111.1	D467 D468 K469	S465-D467 VanDerWaalsContact C-N 3.28Å; S465-D467 PolarHBondContact O-N 2.99Å; S465-D468 WeakPolarHBondContact CB-OD2 3.27Å; S465-D468 PolarHBondContact N-OD2 3.05Å; S465-D468 PolarHBondContact O-N 2.79Å; S465-D468 VanDerWaalsContact O-N 3.15Å; S465-D468 PolarHBondContact OG-N 3.11Å; S465-D468 VanDerWaalsContact OG-N 3.11Å; S465-D468 PolarHBondContact OG-OD2 3.45Å; S465-K469 WeakPolarHBondContact O-CG 3.47Å; S465-K469 PolarHBondContact O-N 2.75Å
466	E	66.9	Low	67.3	Low	97 Å²	97	60.7 Å²	60.7	45%	0.453	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-35.8	175.9	-66.3	-59.3	128.8	0	0	111.7	D468 K469 E470 Q587	E466-D468 VanDerWaalsContact C-N 3.32Å; E466-D468 PolarHBondContact O-N 3.32Å; E466-K469 PolarHBondContact O-N 3.13Å; E466-K469 WeakPolarHBondContact OE1-CD 3.43Å; E466-K469 IonicContact OE1-NZ 2.92Å; E466-K469 PolarHBondContact OE1-NZ 3.04Å; E466-E470 WeakPolarHBondContact O-CB 3.46Å; E466-E470 PolarHBondContact O-N 3.39Å; E466-Q587 PolarHBondContact OE2-NE2 3.41Å
467	D	69.2	Low	67.2	Low	110 Å²	110	60.9 Å²	60.9	59%	0.588	33%	0.33	S	S	*	.	H	α-helix	trans	-60.5	-39.8	172.2	-58.7	18.2	0	0	0	111.9	S465 R471	S465-D467 VanDerWaalsContact C-N 3.28Å; S465-D467 PolarHBondContact O-N 2.99Å; D467-R471 WeakPolarHBondContact O-CG 3.23Å; D467-R471 PolarHBondContact O-N 3.36Å; D467-R471 VanDerWaalsContact O-N 3.09Å
468	D	70.9	Confident	67.5	Low	67 Å²	67	64.5 Å²	64.5	36%	0.358	35%	0.346	S	S	.	.	H	α-helix	trans	-73.2	-35.8	176.3	-63.1	-50	0	0	0	111.6	C464 S465 E466 R471 L472	C464-D468 HydrophobicContact CB-CB 3.99Å; S465-D468 WeakPolarHBondContact CB-OD2 3.27Å; S465-D468 PolarHBondContact N-OD2 3.05Å; S465-D468 PolarHBondContact O-N 2.79Å; S465-D468 VanDerWaalsContact O-N 3.15Å; S465-D468 PolarHBondContact OG-N 3.11Å; S465-D468 VanDerWaalsContact OG-N 3.11Å; S465-D468 PolarHBondContact OG-OD2 3.45Å; E466-D468 VanDerWaalsContact C-N 3.32Å; E466-D468 PolarHBondContact O-N 3.32Å; D468-R471 PolarHBondContact O-N 2.94Å; D468-R471 IonicContact OD1-NH1 2.71Å; D468-L472 WeakPolarHBondContact O-CB 3.17Å; D468-L472 WeakPolarHBondContact O-CG 3.13Å; D468-L472 PolarHBondContact O-N 3.24Å
469	K	67.9	Low	67.8	Low	52 Å²	52	61 Å²	61	23%	0.226	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-45	171.6	-71.6	173	-164.6	164.8	0	111	C464 S465 E466 R471 L472 I473	C464-K469 HydrophobicContact CB-CG 4.45Å; C464-K469 VanDerWaalsContact O-CE 3.23Å; C464-K469 WeakPolarHBondContact O-CE 3.25Å; C464-K469 WeakPolarHBondContact SG-CG 3.24Å; S465-K469 WeakPolarHBondContact O-CG 3.47Å; S465-K469 PolarHBondContact O-N 2.75Å; E466-K469 PolarHBondContact O-N 3.13Å; E466-K469 WeakPolarHBondContact OE1-CD 3.43Å; E466-K469 IonicContact OE1-NZ 2.92Å; E466-K469 PolarHBondContact OE1-NZ 3.04Å; K469-R471 VanDerWaalsContact C-N 3.33Å; K469-R471 PolarHBondContact O-N 3.37Å; K469-L472 PolarHBondContact O-N 3.18Å; K469-I473 HydrophobicContact CB-CD1 4.39Å; K469-I473 VanDerWaalsContact O-CB 3.26Å; K469-I473 WeakPolarHBondContact O-CB 3.39Å; K469-I473 WeakPolarHBondContact O-CD1 3.33Å; K469-I473 WeakPolarHBondContact O-CG1 3.45Å; K469-I473 PolarHBondContact O-N 3.03Å
470	E	67.3	Low	68	Low	71 Å²	71	60.8 Å²	60.8	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-45.2	177.2	-175.3	164.4	-132	0	0	110.7	E466 I473 L474 V592	E466-E470 WeakPolarHBondContact O-CB 3.46Å; E466-E470 PolarHBondContact O-N 3.39Å; E470-I473 PolarHBondContact O-N 2.79Å; E470-L474 HydrophobicContact CG-CD1 4.26Å; E470-L474 WeakPolarHBondContact O-CB 3.36Å; E470-L474 WeakPolarHBondContact O-CD1 3.24Å; E470-L474 VanDerWaalsContact O-CG 3.31Å; E470-L474 WeakPolarHBondContact O-CG 3.29Å; E470-L474 PolarHBondContact O-N 3.01Å; E470-V592 HydrophobicContact CG-CG2 3.8Å; E470-V592 WeakPolarHBondContact OE1-CG2 3.41Å
471	R	72	Confident	68.2	Low	156 Å²	156	64.8 Å²	64.8	59%	0.589	34%	0.338	S	S	*	.	H	α-helix	trans	-61	-45.4	171.7	-74.9	172.7	174.9	155.5	2	113.6	D467 D468 K469 I473 L474 N475	D467-R471 WeakPolarHBondContact O-CG 3.23Å; D467-R471 PolarHBondContact O-N 3.36Å; D467-R471 VanDerWaalsContact O-N 3.09Å; D468-R471 PolarHBondContact O-N 2.94Å; D468-R471 IonicContact OD1-NH1 2.71Å; K469-R471 VanDerWaalsContact C-N 3.33Å; K469-R471 PolarHBondContact O-N 3.37Å; R471-I473 VanDerWaalsContact C-N 3.33Å; R471-I473 PolarHBondContact O-N 3.03Å; R471-L474 WeakPolarHBondContact O-CB 3.49Å; R471-L474 PolarHBondContact O-N 2.85Å; R471-N475 WeakPolarHBondContact O-CB 3.42Å; R471-N475 PolarHBondContact O-N 2.75Å; R471-N475 PolarHBondContact O-ND2 3.21Å; R471-N475 PolarHBondContact O-OD1 2.91Å
472	L	69.8	Low	69	Low	61 Å²	61	69.3 Å²	69.3	32%	0.319	35%	0.348	S	S	.	.	H	α-helix	trans	-68.4	-33.5	179.6	-69.7	164.6	0	0	0	111.9	V459 C464 D468 K469 L476	V459-L472 HydrophobicContact CG2-CB 3.54Å; V459-L472 HydrophobicContact CG2-CD1 4.23Å; V459-L472 HydrophobicContact CG2-CG 4.4Å; C464-L472 HydrophobicContact CB-CD1 4.49Å; D468-L472 WeakPolarHBondContact O-CB 3.17Å; D468-L472 WeakPolarHBondContact O-CG 3.13Å; D468-L472 PolarHBondContact O-N 3.24Å; K469-L472 PolarHBondContact O-N 3.18Å; L472-L476 WeakPolarHBondContact O-CB 3.43Å; L472-L476 PolarHBondContact O-N 3.47Å
473	I	67.8	Low	69.6	Low	9 Å²	9	70.5 Å²	70.5	5%	0.046	35%	0.347	C	S	.	.	H	α-helix	trans	-68.4	-41.8	173.5	-72.1	161.7	0	0	0	110.6	V459 K469 E470 R471 L476 C477 I583 F596	V459-I473 HydrophobicContact CG1-CG1 4.05Å; K469-I473 HydrophobicContact CB-CD1 4.39Å; K469-I473 VanDerWaalsContact O-CB 3.26Å; K469-I473 WeakPolarHBondContact O-CB 3.39Å; K469-I473 WeakPolarHBondContact O-CD1 3.33Å; K469-I473 WeakPolarHBondContact O-CG1 3.45Å; K469-I473 PolarHBondContact O-N 3.03Å; E470-I473 PolarHBondContact O-N 2.79Å; R471-I473 VanDerWaalsContact C-N 3.33Å; R471-I473 PolarHBondContact O-N 3.03Å; I473-L476 PolarHBondContact O-N 3.32Å; I473-C477 WeakPolarHBondContact O-CB 3.46Å; I473-C477 PolarHBondContact O-N 3.21Å; I473-C477 PolarHBondContact O-SG 3.29Å; I473-I583 HydrophobicContact CD1-CG2 4.4Å; I473-F596 HydrophobicContact CD1-CE2 4.05Å; I473-F596 HydrophobicContact CD1-CZ 4.21Å; I473-F596 HydrophobicContact CG1-CE2 4.46Å; I473-F596 HydrophobicContact CG1-CZ 4.46Å; I473-F596 HydrophobicContact CG2-CD2 4.22Å; I473-F596 HydrophobicContact CG2-CE2 3.64Å; I473-F596 HydrophobicContact CG2-CZ 4.19Å
474	L	70	Confident	70.3	Confident	63 Å²	63	61.8 Å²	61.8	33%	0.33	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-54.2	171.5	-78.9	161.5	0	0	0	110.5	E470 R471 L476 C477 E478	E470-L474 HydrophobicContact CG-CD1 4.26Å; E470-L474 WeakPolarHBondContact O-CB 3.36Å; E470-L474 WeakPolarHBondContact O-CD1 3.24Å; E470-L474 VanDerWaalsContact O-CG 3.31Å; E470-L474 WeakPolarHBondContact O-CG 3.29Å; E470-L474 PolarHBondContact O-N 3.01Å; R471-L474 WeakPolarHBondContact O-CB 3.49Å; R471-L474 PolarHBondContact O-N 2.85Å; L474-L476 VanDerWaalsContact C-N 3.27Å; L474-L476 PolarHBondContact O-N 3.37Å; L474-C477 WeakPolarHBondContact O-CB 3.31Å; L474-C477 PolarHBondContact O-N 2.94Å; L474-E478 PolarHBondContact O-N 3.42Å
475	N	73.4	Confident	70.4	Confident	89 Å²	89	62.1 Å²	62.1	48%	0.476	30%	0.3	S	S	.	.	H	α-helix	trans	-57.8	-37.3	177.3	-65.6	-7.3	0	0	0	112.4	R471 H479	R471-N475 WeakPolarHBondContact O-CB 3.42Å; R471-N475 PolarHBondContact O-N 2.75Å; R471-N475 PolarHBondContact O-ND2 3.21Å; R471-N475 PolarHBondContact O-OD1 2.91Å; N475-H479 WeakPolarHBondContact O-CB 3.39Å; N475-H479 PolarHBondContact O-N 2.95Å
476	L	71.4	Confident	70.6	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-67.8	-39.9	175.9	-176.4	75.3	0	0	0	111.5	F452 V455 L456 L472 I473 L474 F480	F452-L476 HydrophobicContact CD2-CD1 3.45Å; F452-L476 VanDerWaalsContact CD2-CD1 3.45Å; F452-L476 HydrophobicContact CD2-CG 3.93Å; F452-L476 HydrophobicContact CE2-CD1 3.66Å; F452-L476 HydrophobicContact CE2-CD2 4.02Å; F452-L476 HydrophobicContact CE2-CG 3.62Å; F452-L476 HydrophobicContact CG-CD1 4.19Å; F452-L476 HydrophobicContact CZ-CD2 4.39Å; F452-L476 HydrophobicContact CZ-CG 4.46Å; V455-L476 HydrophobicContact CB-CD1 3.89Å; V455-L476 HydrophobicContact CG1-CD1 3.77Å; L456-L476 HydrophobicContact CB-CD1 4.49Å; L456-L476 HydrophobicContact CB-CD2 4.22Å; L456-L476 HydrophobicContact CD1-CD2 3.97Å; L472-L476 WeakPolarHBondContact O-CB 3.43Å; L472-L476 PolarHBondContact O-N 3.47Å; I473-L476 PolarHBondContact O-N 3.32Å; L474-L476 VanDerWaalsContact C-N 3.27Å; L474-L476 PolarHBondContact O-N 3.37Å; L476-F480 VanDerWaalsContact O-CB 3.28Å; L476-F480 WeakPolarHBondContact O-CB 3.32Å; L476-F480 PolarHBondContact O-N 3.2Å
477	C	68.3	Low	70.7	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-69.7	-38.7	176.3	-67.7	0	0	0	0	111.9	I473 L474 R481	I473-C477 WeakPolarHBondContact O-CB 3.46Å; I473-C477 PolarHBondContact O-N 3.21Å; I473-C477 PolarHBondContact O-SG 3.29Å; L474-C477 WeakPolarHBondContact O-CB 3.31Å; L474-C477 PolarHBondContact O-N 2.94Å; C477-R481 VanDerWaalsContact O-CB 3.25Å; C477-R481 WeakPolarHBondContact O-CB 3.46Å; C477-R481 PolarHBondContact O-N 2.97Å
478	E	72.6	Confident	70.4	Confident	92 Å²	92	57.1 Å²	57.1	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-50.1	173.3	-71.3	-177.5	158.1	0	0	111	L474 F480 R481 E482	L474-E478 PolarHBondContact O-N 3.42Å; E478-F480 VanDerWaalsContact C-N 3.29Å; E478-F480 PolarHBondContact O-N 3.05Å; E478-R481 CarbonylContact O-C 3.53Å; E478-R481 WeakPolarHBondContact O-CB 3.38Å; E478-R481 PolarHBondContact O-N 3.47Å; E478-E482 WeakPolarHBondContact O-CB 3.04Å; E478-E482 WeakPolarHBondContact O-CG 3.36Å; E478-E482 PolarHBondContact O-N 3.39Å
479	H	72.7	Confident	70.1	Confident	30 Å²	30	59.1 Å²	59.1	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-54	-45.9	174.8	173.7	76.5	0	0	0	111.7	Q448 F451 N475 E482 N483	Q448-H479 PolarHBondContact OE1-CE1 3.28Å; F451-H479 AromaticContact CD1-CE1 3.41Å; F451-H479 VanDerWaalsContact CD1-CE1 3.41Å; F451-H479 WeakPolarHBondContact CD1-CE1 3.42Å; F451-H479 AromaticContact CD1-NE2 3.4Å; F451-H479 WeakPolarHBondContact CD1-NE2 3.45Å; F451-H479 AromaticContact CE1-CE1 3.66Å; F451-H479 AromaticContact CE1-ND1 3.86Å; F451-H479 AromaticContact CE1-NE2 3.97Å; N475-H479 WeakPolarHBondContact O-CB 3.39Å; N475-H479 PolarHBondContact O-N 2.95Å; H479-E482 PolarHBondContact O-N 3.02Å; H479-N483 PolarHBondContact ND1-ND2 2.97Å; H479-N483 VanDerWaalsContact ND1-ND2 3.2Å; H479-N483 VanDerWaalsContact O-CB 3.27Å; H479-N483 WeakPolarHBondContact O-CB 3.43Å; H479-N483 PolarHBondContact O-N 3.39Å; H479-N483 PolarHBondContact O-ND2 3.46Å
480	F	69.3	Low	69.9	Low	6 Å²	6	58.9 Å²	58.9	3%	0.026	28%	0.284	C	S	.	.	I	π-helix	trans	-63.3	-42.2	175.9	-176.4	-78.8	0	0	0	112.3	F452 L476 E478 L484 L485 L599 T602 I603	F452-F480 HydrophobicContact CD2-CB 4.02Å; F452-F480 AromaticContact CD2-CD2 3.76Å; F452-F480 HydrophobicContact CD2-CD2 3.76Å; F452-F480 HydrophobicContact CD2-CG 4.37Å; F452-F480 HydrophobicContact CE2-CB 3.95Å; F452-F480 AromaticContact CE2-CD2 3.59Å; F452-F480 HydrophobicContact CE2-CD2 3.59Å; F452-F480 HydrophobicContact CE2-CG 4.13Å; F452-F480 HydrophobicContact CG-CD2 4.35Å; F452-F480 HydrophobicContact CZ-CD2 4.06Å; L476-F480 VanDerWaalsContact O-CB 3.28Å; L476-F480 WeakPolarHBondContact O-CB 3.32Å; L476-F480 PolarHBondContact O-N 3.2Å; E478-F480 VanDerWaalsContact C-N 3.29Å; E478-F480 PolarHBondContact O-N 3.05Å; F480-L484 HydrophobicContact CD2-CB 4.01Å; F480-L484 HydrophobicContact CD2-CD1 3.49Å; F480-L484 VanDerWaalsContact CD2-CD1 3.49Å; F480-L484 HydrophobicContact CD2-CG 4.4Å; F480-L484 HydrophobicContact CE2-CB 4.18Å; F480-L484 HydrophobicContact CE2-CD1 3.94Å; F480-L484 HydrophobicContact CG-CB 4.25Å; F480-L484 HydrophobicContact CG-CD1 4.29Å; F480-L484 WeakPolarHBondContact O-CB 3.47Å; F480-L484 PolarHBondContact O-N 2.97Å; F480-L484 VanDerWaalsContact O-N 3.11Å; F480-L485 PolarHBondContact O-N 2.83Å; F480-L599 HydrophobicContact CB-CD1 3.95Å; F480-L599 HydrophobicContact CD1-CD1 3.67Å; F480-L599 HydrophobicContact CD2-CD1 3.76Å; F480-L599 HydrophobicContact CE1-CD1 4.12Å; F480-L599 HydrophobicContact CE2-CD1 4.18Å; F480-L599 HydrophobicContact CG-CD1 3.5Å; F480-L599 VanDerWaalsContact CG-CD1 3.5Å; F480-L599 HydrophobicContact CZ-CD1 4.36Å; F480-T602 HydrophobicContact CE1-CG2 3.54Å; F480-T602 HydrophobicContact CZ-CG2 4.04Å; F480-I603 HydrophobicContact CE2-CG1 3.84Å; F480-I603 HydrophobicContact CZ-CG1 3.96Å
481	R	70.7	Confident	69.5	Low	105 Å²	105	57.8 Å²	57.8	40%	0.396	28%	0.28	S	S	.	.	I	π-helix	trans	-66.4	-35.9	178.7	-174.1	-171.3	-67.8	130.9	-5.3	112.6	C477 E478 L485	C477-R481 VanDerWaalsContact O-CB 3.25Å; C477-R481 WeakPolarHBondContact O-CB 3.46Å; C477-R481 PolarHBondContact O-N 2.97Å; E478-R481 CarbonylContact O-C 3.53Å; E478-R481 WeakPolarHBondContact O-CB 3.38Å; E478-R481 PolarHBondContact O-N 3.47Å; R481-L485 HydrophobicContact CG-CD2 4.36Å
482	E	74.6	Confident	68.5	Low	138 Å²	138	51.6 Å²	51.6	65%	0.645	27%	0.265	S	S	*	.	I	π-helix	trans	-90.1	-35.3	-176.2	-68	-174.3	159.1	0	0	113.5	E478 H479 P486	E478-E482 WeakPolarHBondContact O-CB 3.04Å; E478-E482 WeakPolarHBondContact O-CG 3.36Å; E478-E482 PolarHBondContact O-N 3.39Å; H479-E482 PolarHBondContact O-N 3.02Å; E482-P486 WeakPolarHBondContact O-CG 3.3Å
483	N	73.4	Confident	67.8	Low	57 Å²	57	52.4 Å²	52.4	31%	0.305	27%	0.272	S	S	.	.	I	π-helix	trans	-110.3	-28.6	-169.4	-57.7	-90.6	0	0	0	113.4	Q448 H479 Y487	Q448-N483 HydrophobicContact CG-CB 4.42Å; H479-N483 PolarHBondContact ND1-ND2 2.97Å; H479-N483 VanDerWaalsContact ND1-ND2 3.2Å; H479-N483 VanDerWaalsContact O-CB 3.27Å; H479-N483 WeakPolarHBondContact O-CB 3.43Å; H479-N483 PolarHBondContact O-N 3.39Å; H479-N483 PolarHBondContact O-ND2 3.46Å; N483-Y487 WeakPolarHBondContact O-CD2 3.39Å; N483-Y487 WeakPolarHBondContact O-CE2 3.35Å
484	L	71.2	Confident	66.6	Low	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-101.3	-47.4	-178.1	-84.2	165.5	0	0	0	113	Q448 F449 F452 F480 P486 Y487 F488	Q448-L484 HydrophobicContact CB-CD2 3.79Å; Q448-L484 HydrophobicContact CB-CG 3.99Å; F449-L484 HydrophobicContact CB-CD2 3.98Å; F449-L484 HydrophobicContact CD2-CD1 4.28Å; F452-L484 HydrophobicContact CB-CD1 3.67Å; F452-L484 HydrophobicContact CD2-CD1 4.21Å; F452-L484 HydrophobicContact CG-CD1 3.95Å; F480-L484 HydrophobicContact CD2-CB 4.01Å; F480-L484 HydrophobicContact CD2-CD1 3.49Å; F480-L484 VanDerWaalsContact CD2-CD1 3.49Å; F480-L484 HydrophobicContact CD2-CG 4.4Å; F480-L484 HydrophobicContact CE2-CB 4.18Å; F480-L484 HydrophobicContact CE2-CD1 3.94Å; F480-L484 HydrophobicContact CG-CB 4.25Å; F480-L484 HydrophobicContact CG-CD1 4.29Å; F480-L484 WeakPolarHBondContact O-CB 3.47Å; F480-L484 PolarHBondContact O-N 2.97Å; F480-L484 VanDerWaalsContact O-N 3.11Å; L484-P486 VanDerWaalsContact C-CD 3.48Å; L484-P486 VanDerWaalsContact C-N 3.34Å; L484-Y487 PolarHBondContact O-N 2.76Å; L484-Y487 VanDerWaalsContact O-N 3.17Å; L484-F488 HydrophobicContact CB-CD2 4.38Å; L484-F488 HydrophobicContact CB-CE2 4.07Å; L484-F488 HydrophobicContact CD2-CE2 3.96Å; L484-F488 WeakPolarHBondContact O-CD2 3.43Å; L484-F488 PolarHBondContact O-N 3.14Å
485	L	69.1	Low	65.2	Low	35 Å²	35	57 Å²	57	18%	0.183	30%	0.298	C	S	.	.	H	α-helix	trans	-54	-39.6	-179.3	174.3	60.4	0	0	0	113.7	F480 R481 Y487 F488 Q489 T602	F480-L485 PolarHBondContact O-N 2.83Å; R481-L485 HydrophobicContact CG-CD2 4.36Å; L485-Y487 PolarHBondContact O-N 3.14Å; L485-F488 PolarHBondContact O-N 3.5Å; L485-Q489 HydrophobicContact CD1-CG 3.85Å; L485-Q489 HydrophobicContact CG-CG 4.29Å; L485-Q489 WeakPolarHBondContact O-CG 3.34Å; L485-Q489 PolarHBondContact O-N 2.97Å; L485-T602 HydrophobicContact CD1-CG2 3.82Å
486	P	74.8	Confident	63.3	Low	59 Å²	59	58.3 Å²	58.3	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-39	177.6	-26.9	37.7	0	0	0	114	E482 L484 Q489 A490	E482-P486 WeakPolarHBondContact O-CG 3.3Å; L484-P486 VanDerWaalsContact C-CD 3.48Å; L484-P486 VanDerWaalsContact C-N 3.34Å; P486-Q489 PolarHBondContact O-N 2.62Å; P486-A490 WeakPolarHBondContact O-CB 3.47Å; P486-A490 PolarHBondContact O-N 3.43Å
487	Y	67.4	Low	61.5	Low	87 Å²	87	62.9 Å²	62.9	34%	0.341	34%	0.342	S	S	.	.	H	α-helix	trans	-67.7	-38.3	175.4	-63.3	-71.1	0	0	0	111.8	A444 L445 Q448 N483 L484 L485 Q489 A490 L491	A444-Y487 HydrophobicContact CB-CE1 3.83Å; A444-Y487 HydrophobicContact CB-CE2 4.24Å; L445-Y487 HydrophobicContact CB-CG 4.41Å; Q448-Y487 HydrophobicContact CG-CE2 4.24Å; N483-Y487 WeakPolarHBondContact O-CD2 3.39Å; N483-Y487 WeakPolarHBondContact O-CE2 3.35Å; L484-Y487 PolarHBondContact O-N 2.76Å; L484-Y487 VanDerWaalsContact O-N 3.17Å; L485-Y487 PolarHBondContact O-N 3.14Å; Y487-Q489 VanDerWaalsContact C-N 3.32Å; Y487-Q489 PolarHBondContact O-N 2.84Å; Y487-A490 PolarHBondContact O-N 2.81Å; Y487-L491 WeakPolarHBondContact O-CB 3.37Å; Y487-L491 VanDerWaalsContact O-CG 3.3Å; Y487-L491 WeakPolarHBondContact O-CG 3.34Å; Y487-L491 PolarHBondContact O-N 3.31Å
488	F	63.5	Low	59.8	Low	10 Å²	10	70.6 Å²	70.6	4%	0.044	38%	0.377	C	S	.	.	H	α-helix	trans	-67.1	-32.2	174	-68.6	-64.7	0	0	0	112.8	L445 L484 L485 G492 C606	L445-F488 HydrophobicContact CD1-CD1 4.05Å; L445-F488 HydrophobicContact CD1-CE1 3.7Å; L445-F488 HydrophobicContact CD1-CZ 3.97Å; L445-F488 HydrophobicContact CD2-CE1 4.43Å; L445-F488 HydrophobicContact CD2-CZ 4.25Å; L445-F488 HydrophobicContact CG-CE1 4.34Å; L445-F488 HydrophobicContact CG-CZ 4.14Å; L484-F488 HydrophobicContact CB-CD2 4.38Å; L484-F488 HydrophobicContact CB-CE2 4.07Å; L484-F488 HydrophobicContact CD2-CE2 3.96Å; L484-F488 WeakPolarHBondContact O-CD2 3.43Å; L484-F488 PolarHBondContact O-N 3.14Å; L485-F488 PolarHBondContact O-N 3.5Å; F488-G492 PolarHBondContact O-N 2.95Å; F488-C606 HydrophobicContact CD1-CB 4.32Å; F488-C606 VanDerWaalsContact CD2-SG 3.53Å; F488-C606 HydrophobicContact CE1-CB 3.74Å; F488-C606 HydrophobicContact CE2-CB 4.3Å; F488-C606 WeakPolarHBondContact CE2-SG 3.5Å; F488-C606 HydrophobicContact CZ-CB 3.75Å; F488-C606 WeakPolarHBondContact CZ-SG 3.29Å
489	Q	64.9	Low	57.9	Low	109 Å²	109	73.7 Å²	73.7	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-70.5	-47.6	173	-74.8	175.8	-15.8	0	0	111.5	L485 P486 Y487 L491 G492 T493	L485-Q489 HydrophobicContact CD1-CG 3.85Å; L485-Q489 HydrophobicContact CG-CG 4.29Å; L485-Q489 WeakPolarHBondContact O-CG 3.34Å; L485-Q489 PolarHBondContact O-N 2.97Å; P486-Q489 PolarHBondContact O-N 2.62Å; Y487-Q489 VanDerWaalsContact C-N 3.32Å; Y487-Q489 PolarHBondContact O-N 2.84Å; Q489-L491 PolarHBondContact O-N 2.81Å; Q489-G492 CarbonylContact O-C 3.6Å; Q489-G492 WeakPolarHBondContact O-CA 3.34Å; Q489-G492 PolarHBondContact O-N 3.1Å; Q489-T493 PolarHBondContact O-N 2.86Å; Q489-T493 PolarHBondContact O-OG1 3.24Å
490	A	64.6	Low	55.9	Low	47 Å²	47	77.4 Å²	77.4	39%	0.388	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-42.2	177.2	0	0	0	0	0	112.6	P486 Y487 G492 G494	P486-A490 WeakPolarHBondContact O-CB 3.47Å; P486-A490 PolarHBondContact O-N 3.43Å; Y487-A490 PolarHBondContact O-N 2.81Å; A490-G492 PolarHBondContact O-N 3.3Å; A490-G494 WeakPolarHBondContact O-CA 3.31Å; A490-G494 PolarHBondContact O-N 2.96Å
491	L	58.9	Low	54.1	Low	48 Å²	48	85 Å²	85	25%	0.251	46%	0.463	S	S	.	.	H	α-helix	trans	-67.5	-17.6	172.5	-71.7	169	0	0	0	113.4	L445 Y487 Q489	L445-L491 HydrophobicContact CD1-CD1 3.46Å; L445-L491 VanDerWaalsContact CD1-CD1 3.46Å; Y487-L491 WeakPolarHBondContact O-CB 3.37Å; Y487-L491 VanDerWaalsContact O-CG 3.3Å; Y487-L491 WeakPolarHBondContact O-CG 3.34Å; Y487-L491 PolarHBondContact O-N 3.31Å; Q489-L491 PolarHBondContact O-N 2.81Å
492	G	49.9	Very low	52.3	Low	26 Å²	26	86.9 Å²	86.9	27%	0.268	48%	0.48	S	S	.	.	H	α-helix	trans	-94.5	-29.3	177.5	0	0	0	0	0	114.7	F488 Q489 A490 L517	F488-G492 PolarHBondContact O-N 2.95Å; Q489-G492 CarbonylContact O-C 3.6Å; Q489-G492 WeakPolarHBondContact O-CA 3.34Å; Q489-G492 PolarHBondContact O-N 3.1Å; A490-G492 PolarHBondContact O-N 3.3Å; G492-L517 WeakPolarHBondContact O-CD2 3.5Å
493	T	54.5	Low	50.3	Low	78 Å²	78	87.8 Å²	87.8	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-91.2	-26.8	175.3	59.9	0	0	0	0	112.6	Q489 E495	Q489-T493 PolarHBondContact O-N 2.86Å; Q489-T493 PolarHBondContact O-OG1 3.24Å; T493-E495 PolarHBondContact O-N 3.47Å; T493-E495 PolarHBondContact OG1-N 3.11Å
494	G	44.3	Very low	48.3	Very low	24 Å²	24	89 Å²	89	25%	0.247	52%	0.515	C	S	.	.			trans	72.9	11.1	-173.2	0	0	0	0	0	113.9	A490 T496	A490-G494 WeakPolarHBondContact O-CA 3.31Å; A490-G494 PolarHBondContact O-N 2.96Å; G494-T496 VanDerWaalsContact C-N 3.35Å; G494-T496 PolarHBondContact O-N 3.47Å
495	E	40.8	Very low	46.6	Very low	144 Å²	144	94.5 Å²	94.5	67%	0.673	55%	0.554	S	S	*	*			trans	-77.1	84.7	176.1	-68	-175.6	143	0	0	110.2	T493 S497	T493-E495 PolarHBondContact O-N 3.47Å; T493-E495 PolarHBondContact OG1-N 3.11Å; E495-S497 PolarHBondContact O-N 3.07Å
496	T	33.1	Very low	45	Very low	117 Å²	117	101.7 Å²	101.7	72%	0.718	59%	0.586	S	S	*	*			trans	-73	63.2	168.6	44	0	0	0	0	110.9	P440 G494	P440-T496 HydrophobicContact CG-CG2 4.48Å; G494-T496 VanDerWaalsContact C-N 3.35Å; G494-T496 PolarHBondContact O-N 3.47Å
497	S	32.2	Very low	43.1	Very low	99 Å²	99	108.5 Å²	108.5	69%	0.692	61%	0.61	S	S	*	*			trans	-121.1	150.3	178.6	-141	0	0	0	0	112.3	E495 V499	E495-S497 PolarHBondContact O-N 3.07Å; S497-V499 PolarHBondContact O-N 3.27Å
498	E	33.2	Very low	41.4	Very low	172 Å²	172	110.7 Å²	110.7	80%	0.804	63%	0.633	S	S	*	*			trans	-66.2	125.5	-168.9	-59.1	171.5	136.8	0	0	111.1	T500	E498-T500 PolarHBondContact O-N 2.85Å
499	V	31.9	Very low	40.1	Very low	156 Å²	156	117.6 Å²	117.6	95%	0.945	67%	0.665	S	S	*	*			trans	-75	69.5	174.9	-173.8	0	0	0	0	109.9	S497	S497-V499 PolarHBondContact O-N 3.27Å
500	T	32.3	Very low	38.7	Very low	108 Å²	108	119.5 Å²	119.5	66%	0.663	67%	0.672	S	S	*	*			trans	-116.8	92	178.3	-51.5	0	0	0	0	109.3	E498	E498-T500 PolarHBondContact O-N 2.85Å
501	Q	31.8	Very low	37.2	Very low	167 Å²	167	126.4 Å²	126.4	78%	0.78	70%	0.696	S	S	*	*			trans	16	110.1	159.7	-58.7	176.6	0.3	0	0	117.2
502	N	32.7	Very low	36.2	Very low	143 Å²	143	130 Å²	130	77%	0.765	72%	0.715	S	S	*	*				-179.9	130.1	105.7	-95.6	-65	0	0	0	114.5
503	N	32.1	Very low	35.6	Very low	158 Å²	158	132 Å²	132	85%	0.845	73%	0.729	S	S	*	*			trans	-4.2	121.1	155.1	-55.8	-31.2	0	0	0	119.5
504	G	32.1	Very low	34.9	Very low	81 Å²	81	134.2 Å²	134.2	84%	0.835	74%	0.738	S	S	*	*				115.7	93.8	124.1	0	0	0	0	0	119.2
505	S	35.5	Very low	34.7	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	75%	0.751	S	S	*	*			trans	-164.2	126.5	133.9	-159.8	0	0	0	0	110.8
506	E	35.3	Very low	34.8	Very low	187 Å²	187	135 Å²	135	87%	0.874	75%	0.747	S	S	*	*			trans	-72.1	139.1	162.2	-64.2	174.4	109.5	0	0	109.8
507	K	35.2	Very low	35.1	Very low	201 Å²	201	131.7 Å²	131.7	87%	0.874	73%	0.725	S	S	*	*			trans	-158.5	131.3	144.1	-116.3	157.3	-170.3	170.8	0	113.4
508	T	31.4	Very low	35.4	Very low	134 Å²	134	129.9 Å²	129.9	82%	0.822	71%	0.709	S	S	*	*			trans	-69.9	130.2	174.5	50	0	0	0	0	111.8
509	E	35.3	Very low	36.3	Very low	155 Å²	155	124.5 Å²	124.5	72%	0.724	69%	0.691	S	S	*	*			trans	163.8	148.7	154.6	-93.2	-175.4	173.4	0	0	105.9
510	K	36.1	Very low	37	Very low	149 Å²	149	119.9 Å²	119.9	65%	0.648	66%	0.663	S	S	*	*			cis	-153.1	153.3	5.2	-128.3	153	-167.4	150.8	0	109.7	N512	K510-N512 PolarHBondContact O-N 3.33Å
511	E	32.7	Very low	37.6	Very low	191 Å²	191	116.1 Å²	116.1	89%	0.893	64%	0.641	S	S	*	*	S	Bend	trans	-67.5	96.1	165.6	-65.3	167.2	112	0	0	109.7
512	N	38.9	Very low	38.5	Very low	123 Å²	123	113 Å²	113	66%	0.658	63%	0.626	S	S	*	*			trans	-172	17.3	167.9	-100.4	-31.8	0	0	0	114.6	K510 D514 S515	K510-N512 PolarHBondContact O-N 3.33Å; N512-D514 PolarHBondContact O-N 3.25Å; N512-S515 PolarHBondContact O-OG 2.81Å
513	A	36.3	Very low	39.6	Very low	68 Å²	68	108.6 Å²	108.6	56%	0.562	61%	0.61	S	S	*	*	H	α-helix	trans	-65.4	-32.1	-165.8	0	0	0	0	0	115.8	S515 N516 L517	A513-S515 VanDerWaalsContact C-N 3.27Å; A513-S515 PolarHBondContact O-N 3.42Å; A513-N516 PolarHBondContact O-N 3.06Å; A513-L517 PolarHBondContact O-N 2.97Å
514	D	40.5	Very low	40.7	Very low	125 Å²	125	103.9 Å²	103.9	67%	0.668	58%	0.584	S	S	*	*	H	α-helix	trans	-64.6	-23.8	-170.3	-101.4	-46.2	0	0	0	115	N512 K612	N512-D514 PolarHBondContact O-N 3.25Å; D514-K612 IonicContact OD1-NZ 2.69Å
515	S	39.8	Very low	41.8	Very low	73 Å²	73	100.5 Å²	100.5	51%	0.51	55%	0.547	S	S	.	.	H	α-helix	trans	-86	-38.7	179.8	47.1	0	0	0	0	113.4	N512 A513 L517 V518	N512-S515 PolarHBondContact O-OG 2.81Å; A513-S515 VanDerWaalsContact C-N 3.27Å; A513-S515 PolarHBondContact O-N 3.42Å; S515-L517 VanDerWaalsContact C-N 3.29Å; S515-L517 PolarHBondContact O-N 2.97Å; S515-V518 PolarHBondContact O-N 3.12Å
516	N	41.6	Very low	42.7	Very low	112 Å²	112	101 Å²	101	60%	0.599	54%	0.537	S	S	*	.	H	α-helix	trans	-69.2	-29.4	177.6	-74.6	-2.4	0	0	0	112.3	A513 V518 S519	A513-N516 PolarHBondContact O-N 3.06Å; N516-V518 PolarHBondContact O-N 3.36Å; N516-S519 PolarHBondContact O-N 2.92Å; N516-S519 PolarHBondContact O-OG 3.43Å
517	L	40.4	Very low	43.9	Very low	48 Å²	48	95.9 Å²	95.9	25%	0.251	52%	0.515	S	S	.	.	H	α-helix	trans	-60.2	-10.4	176.8	-101.8	162.4	0	0	0	115.2	G492 A513 S515	G492-L517 WeakPolarHBondContact O-CD2 3.5Å; A513-L517 PolarHBondContact O-N 2.97Å; S515-L517 VanDerWaalsContact C-N 3.29Å; S515-L517 PolarHBondContact O-N 2.97Å
518	V	38.8	Very low	45.1	Very low	60 Å²	60	87.7 Å²	87.7	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-97.3	-49	178.6	-178.5	0	0	0	0	110.5	S515 N516 V520 S521 E522	S515-V518 PolarHBondContact O-N 3.12Å; N516-V518 PolarHBondContact O-N 3.36Å; V518-V520 VanDerWaalsContact C-N 3.31Å; V518-V520 PolarHBondContact O-N 3.18Å; V518-S521 PolarHBondContact O-N 2.68Å; V518-S521 PolarHBondContact O-OG 3.2Å; V518-E522 HydrophobicContact CG1-CG 4.48Å; V518-E522 WeakPolarHBondContact O-CG 3.15Å; V518-E522 PolarHBondContact O-N 3.11Å
519	S	51	Low	46.4	Very low	60 Å²	60	81.5 Å²	81.5	42%	0.42	45%	0.445	S	S	.	.	H	α-helix	trans	-62.3	-30.7	-173.9	40.7	0	0	0	0	114.8	N516 A523	N516-S519 PolarHBondContact O-N 2.92Å; N516-S519 PolarHBondContact O-OG 3.43Å; S519-A523 VanDerWaalsContact O-CB 3.28Å; S519-A523 WeakPolarHBondContact O-CB 3.4Å; S519-A523 PolarHBondContact O-N 3.01Å
520	V	47.5	Very low	47.6	Very low	58 Å²	58	77.9 Å²	77.9	35%	0.352	43%	0.431	S	S	.	.	H	α-helix	trans	-78.3	-39.5	-176.1	-172.8	0	0	0	0	111.8	V518 E522 A523 I524	V518-V520 VanDerWaalsContact C-N 3.31Å; V518-V520 PolarHBondContact O-N 3.18Å; V520-E522 VanDerWaalsContact C-N 3.35Å; V520-A523 PolarHBondContact O-N 3.39Å; V520-I524 HydrophobicContact CG1-CD1 4.15Å; V520-I524 WeakPolarHBondContact O-CG1 3.44Å; V520-I524 PolarHBondContact O-N 2.8Å; V520-I524 VanDerWaalsContact O-N 3.1Å
521	S	45.5	Very low	48.9	Very low	29 Å²	29	76.4 Å²	76.4	20%	0.203	43%	0.425	C	S	.	.	H	α-helix	trans	-73.1	-27.5	175.8	53.3	0	0	0	0	112.8	V518 V525 H616	V518-S521 PolarHBondContact O-N 2.68Å; V518-S521 PolarHBondContact O-OG 3.2Å; S521-V525 WeakPolarHBondContact O-CG2 3.4Å; S521-H616 WeakPolarHBondContact CB-NE2 3.33Å; S521-H616 PolarHBondContact OG-CE1 2.99Å; S521-H616 VanDerWaalsContact OG-CE1 3.29Å; S521-H616 PolarHBondContact OG-NE2 2.97Å
522	E	50.1	Low	50.1	Low	102 Å²	102	69.5 Å²	69.5	48%	0.477	39%	0.391	S	S	.	.	H	α-helix	trans	-68.5	-49.3	168.6	-70.2	178.3	154	0	0	110.8	V518 V520 I524 V525 E526	V518-E522 HydrophobicContact CG1-CG 4.48Å; V518-E522 WeakPolarHBondContact O-CG 3.15Å; V518-E522 PolarHBondContact O-N 3.11Å; V520-E522 VanDerWaalsContact C-N 3.35Å; E522-I524 PolarHBondContact O-N 3.35Å; E522-V525 WeakPolarHBondContact O-CB 3.43Å; E522-V525 PolarHBondContact O-N 3.14Å; E522-E526 PolarHBondContact O-N 2.79Å
523	A	54.7	Low	51	Low	51 Å²	51	68.2 Å²	68.2	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-38.1	-179.3	0	0	0	0	0	114.2	S519 V520 V525 E526 D527	S519-A523 VanDerWaalsContact O-CB 3.28Å; S519-A523 WeakPolarHBondContact O-CB 3.4Å; S519-A523 PolarHBondContact O-N 3.01Å; V520-A523 PolarHBondContact O-N 3.39Å; A523-V525 VanDerWaalsContact C-N 3.29Å; A523-V525 PolarHBondContact O-N 2.95Å; A523-E526 PolarHBondContact O-N 3.25Å; A523-D527 WeakPolarHBondContact O-CB 3.46Å; A523-D527 PolarHBondContact O-N 3.25Å
524	I	56.9	Low	51.9	Low	59 Å²	59	70.8 Å²	70.8	30%	0.303	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-35.6	175.6	-69.7	165.7	0	0	0	111.2	V520 E522 S528	V520-I524 HydrophobicContact CG1-CD1 4.15Å; V520-I524 WeakPolarHBondContact O-CG1 3.44Å; V520-I524 PolarHBondContact O-N 2.8Å; V520-I524 VanDerWaalsContact O-N 3.1Å; E522-I524 PolarHBondContact O-N 3.35Å; I524-S528 VanDerWaalsContact O-CB 3.26Å; I524-S528 WeakPolarHBondContact O-CB 3.42Å; I524-S528 PolarHBondContact O-N 3.3Å; I524-S528 PolarHBondContact O-OG 2.9Å
525	V	53.5	Low	52.6	Low	10 Å²	10	70 Å²	70	6%	0.061	38%	0.384	C	S	.	.	H	α-helix	trans	-73.2	-44.9	176.9	170.9	0	0	0	0	110.8	S521 E522 A523 S528 L529 A620	S521-V525 WeakPolarHBondContact O-CG2 3.4Å; E522-V525 WeakPolarHBondContact O-CB 3.43Å; E522-V525 PolarHBondContact O-N 3.14Å; A523-V525 VanDerWaalsContact C-N 3.29Å; A523-V525 PolarHBondContact O-N 2.95Å; V525-S528 PolarHBondContact O-N 3.39Å; V525-L529 HydrophobicContact CG1-CD1 3.7Å; V525-L529 HydrophobicContact CG1-CG 4.45Å; V525-L529 WeakPolarHBondContact O-CB 3.31Å; V525-L529 VanDerWaalsContact O-CG 3.24Å; V525-L529 WeakPolarHBondContact O-CG 3.34Å; V525-L529 PolarHBondContact O-N 3.16Å; V525-A620 HydrophobicContact CG1-CB 3.91Å
526	E	55.3	Low	53.1	Low	126 Å²	126	69.3 Å²	69.3	59%	0.589	37%	0.372	S	S	*	.	H	α-helix	trans	-60.8	-51	177.3	-71.3	-169.9	148.9	0	0	112.3	E522 A523 S528 L529 D530	E522-E526 PolarHBondContact O-N 2.79Å; A523-E526 PolarHBondContact O-N 3.25Å; E526-S528 VanDerWaalsContact C-N 3.29Å; E526-S528 PolarHBondContact O-N 3.06Å; E526-L529 PolarHBondContact O-N 3.2Å; E526-D530 PolarHBondContact O-N 2.93Å
527	D	61.1	Low	53.5	Low	80 Å²	80	68.2 Å²	68.2	43%	0.428	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-37.6	177.8	168.9	65.2	0	0	0	112.2	A523 L529 K531	A523-D527 WeakPolarHBondContact O-CB 3.46Å; A523-D527 PolarHBondContact O-N 3.25Å; D527-L529 VanDerWaalsContact C-N 3.34Å; D527-L529 PolarHBondContact O-N 3.41Å; D527-K531 VanDerWaalsContact O-CB 3.31Å; D527-K531 WeakPolarHBondContact O-CB 3.22Å; D527-K531 WeakPolarHBondContact O-CD 3.36Å; D527-K531 VanDerWaalsContact O-CG 3.26Å; D527-K531 WeakPolarHBondContact O-CG 3.22Å; D527-K531 PolarHBondContact O-N 3.41Å; D527-K531 WeakPolarHBondContact OD1-CE 3.4Å; D527-K531 IonicContact OD1-NZ 2.6Å; D527-K531 PolarHBondContact OD1-NZ 3.4Å; D527-K531 IonicContact OD2-NZ 2.68Å; D527-K531 PolarHBondContact OD2-NZ 2.93Å
528	S	59.8	Low	53.8	Low	29 Å²	29	74.1 Å²	74.1	20%	0.203	40%	0.399	C	S	.	.	H	α-helix	trans	-66.3	-33.1	174	-64.7	0	0	0	0	113.3	I524 V525 E526 K532	I524-S528 VanDerWaalsContact O-CB 3.26Å; I524-S528 WeakPolarHBondContact O-CB 3.42Å; I524-S528 PolarHBondContact O-N 3.3Å; I524-S528 PolarHBondContact O-OG 2.9Å; V525-S528 PolarHBondContact O-N 3.39Å; E526-S528 VanDerWaalsContact C-N 3.29Å; E526-S528 PolarHBondContact O-N 3.06Å; S528-K532 PolarHBondContact O-N 2.9Å
529	L	58.5	Low	53.8	Low	4 Å²	4	78.8 Å²	78.8	2%	0.021	43%	0.428	C	S	.	.	H	α-helix	trans	-80.4	-38.4	178.5	-71.2	167.2	0	0	0	111.9	V525 E526 D527 K532 R533 E623 I627	V525-L529 HydrophobicContact CG1-CD1 3.7Å; V525-L529 HydrophobicContact CG1-CG 4.45Å; V525-L529 WeakPolarHBondContact O-CB 3.31Å; V525-L529 VanDerWaalsContact O-CG 3.24Å; V525-L529 WeakPolarHBondContact O-CG 3.34Å; V525-L529 PolarHBondContact O-N 3.16Å; E526-L529 PolarHBondContact O-N 3.2Å; D527-L529 VanDerWaalsContact C-N 3.34Å; D527-L529 PolarHBondContact O-N 3.41Å; L529-K532 CarbonylContact O-C 3.58Å; L529-K532 WeakPolarHBondContact O-CA 3.43Å; L529-K532 WeakPolarHBondContact O-CB 3.25Å; L529-K532 PolarHBondContact O-N 3.48Å; L529-K532 VanDerWaalsContact O-N 3.15Å; L529-R533 PolarHBondContact O-N 3.34Å; L529-E623 HydrophobicContact CD1-CB 4.05Å; L529-E623 HydrophobicContact CD1-CG 3.92Å; L529-I627 HydrophobicContact CB-CD1 4.49Å; L529-I627 HydrophobicContact CD2-CD1 4.02Å
530	D	60.4	Low	53.2	Low	78 Å²	78	78 Å²	78	42%	0.417	43%	0.425	S	S	.	.	H	α-helix	trans	-70.6	-37.7	176.1	-87.7	-3.8	0	0	0	112.2	E526 K532 R533 L534	E526-D530 PolarHBondContact O-N 2.93Å; D530-K532 PolarHBondContact O-N 3.03Å; D530-R533 PolarHBondContact O-N 3.18Å; D530-R533 VanDerWaalsContact O-N 3.11Å; D530-R533 WeakPolarHBondContact OD1-CD 3.4Å; D530-R533 IonicContact OD1-CZ 2.62Å; D530-R533 IonicContact OD1-NE 2.66Å; D530-R533 IonicContact OD1-NH1 3.12Å; D530-R533 PolarHBondContact OD1-NH1 3.28Å; D530-L534 WeakPolarHBondContact O-CG 3.33Å; D530-L534 PolarHBondContact O-N 2.87Å
531	K	64.4	Low	52.9	Low	119 Å²	119	77.7 Å²	77.7	52%	0.517	43%	0.434	S	S	.	.	H	α-helix	trans	-57.4	-36.6	167.2	-76.8	166.7	177.8	160.2	0	112.1	D527 C535	D527-K531 VanDerWaalsContact O-CB 3.31Å; D527-K531 WeakPolarHBondContact O-CB 3.22Å; D527-K531 WeakPolarHBondContact O-CD 3.36Å; D527-K531 VanDerWaalsContact O-CG 3.26Å; D527-K531 WeakPolarHBondContact O-CG 3.22Å; D527-K531 PolarHBondContact O-N 3.41Å; D527-K531 WeakPolarHBondContact OD1-CE 3.4Å; D527-K531 IonicContact OD1-NZ 2.6Å; D527-K531 PolarHBondContact OD1-NZ 3.4Å; D527-K531 IonicContact OD2-NZ 2.68Å; D527-K531 PolarHBondContact OD2-NZ 2.93Å; K531-C535 PolarHBondContact O-N 3.12Å; K531-C535 PolarHBondContact O-SG 3.41Å; K531-C535 VanDerWaalsContact O-SG 3.37Å
532	K	57.1	Low	52.8	Low	45 Å²	45	79.6 Å²	79.6	20%	0.196	45%	0.451	C	S	.	.	H	α-helix	trans	-68.5	-45.4	170.9	-81.5	179.8	176	176.8	0	112.3	S528 L529 D530 L534 C535 F536 E624	S528-K532 PolarHBondContact O-N 2.9Å; L529-K532 CarbonylContact O-C 3.58Å; L529-K532 WeakPolarHBondContact O-CA 3.43Å; L529-K532 WeakPolarHBondContact O-CB 3.25Å; L529-K532 PolarHBondContact O-N 3.48Å; L529-K532 VanDerWaalsContact O-N 3.15Å; D530-K532 PolarHBondContact O-N 3.03Å; K532-L534 VanDerWaalsContact C-N 3.32Å; K532-L534 PolarHBondContact O-N 3.08Å; K532-C535 WeakPolarHBondContact O-CB 3.28Å; K532-C535 PolarHBondContact O-N 3.1Å; K532-F536 HydrophobicContact CB-CE2 4.46Å; K532-F536 WeakPolarHBondContact O-CD2 3.47Å; K532-F536 WeakPolarHBondContact O-CE2 3.39Å; K532-F536 PolarHBondContact O-N 2.92Å; K532-E624 IonicContact NZ-OE1 2.73Å; K532-E624 PolarHBondContact NZ-OE1 2.93Å
533	R	57.9	Low	52.6	Low	96 Å²	96	80.8 Å²	80.8	36%	0.362	47%	0.466	S	S	.	.	H	α-helix	trans	-55.8	-44.8	177.2	-73.6	-174.7	177.3	117.6	3.6	111.6	L529 D530 C535 F536 S537 E623 I627	L529-R533 PolarHBondContact O-N 3.34Å; D530-R533 PolarHBondContact O-N 3.18Å; D530-R533 VanDerWaalsContact O-N 3.11Å; D530-R533 WeakPolarHBondContact OD1-CD 3.4Å; D530-R533 IonicContact OD1-CZ 2.62Å; D530-R533 IonicContact OD1-NE 2.66Å; D530-R533 IonicContact OD1-NH1 3.12Å; D530-R533 PolarHBondContact OD1-NH1 3.28Å; R533-C535 PolarHBondContact O-N 3.32Å; R533-F536 PolarHBondContact O-N 3.25Å; R533-F536 VanDerWaalsContact O-N 3.1Å; R533-S537 PolarHBondContact O-OG 3.43Å; R533-E623 IonicContact CZ-OE1 2.76Å; R533-E623 IonicContact NH1-OE1 2.66Å; R533-E623 IonicContact NH2-OE1 2.81Å; R533-E623 PolarHBondContact NH2-OE1 3.13Å; R533-I627 HydrophobicContact CG-CD1 4.17Å
534	L	55.1	Low	52.4	Low	122 Å²	122	81 Å²	81	64%	0.639	46%	0.464	S	S	*	.	H	α-helix	trans	-59.6	-42.8	177.4	-70.9	167.5	0	0	0	112	D530 K532 F536 S537	D530-L534 WeakPolarHBondContact O-CG 3.33Å; D530-L534 PolarHBondContact O-N 2.87Å; K532-L534 VanDerWaalsContact C-N 3.32Å; K532-L534 PolarHBondContact O-N 3.08Å; L534-F536 PolarHBondContact O-N 3.36Å; L534-F536 VanDerWaalsContact O-N 3.14Å; L534-S537 VanDerWaalsContact O-CB 3.29Å; L534-S537 WeakPolarHBondContact O-CB 3.43Å; L534-S537 PolarHBondContact O-N 3.43Å; L534-S537 PolarHBondContact O-OG 3.1Å
535	C	54.1	Low	52	Low	108 Å²	108	81.4 Å²	81.4	73%	0.73	47%	0.466	S	S	*	.	H	α-helix	trans	-64.5	-13	176.1	-71.9	0	0	0	0	115.2	K531 K532 R533	K531-C535 PolarHBondContact O-N 3.12Å; K531-C535 PolarHBondContact O-SG 3.41Å; K531-C535 VanDerWaalsContact O-SG 3.37Å; K532-C535 WeakPolarHBondContact O-CB 3.28Å; K532-C535 PolarHBondContact O-N 3.1Å; R533-C535 PolarHBondContact O-N 3.32Å
536	F	50.3	Low	51.9	Low	60 Å²	60	86.3 Å²	86.3	26%	0.263	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.5	171.1	-64.7	-66.7	0	0	0	113.7	K532 R533 L534 L552 I627 V631	K532-F536 HydrophobicContact CB-CE2 4.46Å; K532-F536 WeakPolarHBondContact O-CD2 3.47Å; K532-F536 WeakPolarHBondContact O-CE2 3.39Å; K532-F536 PolarHBondContact O-N 2.92Å; R533-F536 PolarHBondContact O-N 3.25Å; R533-F536 VanDerWaalsContact O-N 3.1Å; L534-F536 PolarHBondContact O-N 3.36Å; L534-F536 VanDerWaalsContact O-N 3.14Å; F536-L552 HydrophobicContact CE1-CD2 4.34Å; F536-L552 HydrophobicContact CZ-CD1 4.3Å; F536-L552 HydrophobicContact CZ-CD2 3.76Å; F536-I627 HydrophobicContact CD2-CG2 4.49Å; F536-I627 HydrophobicContact CE2-CG2 4.37Å; F536-V631 HydrophobicContact CG-CG2 4.48Å
537	S	50.2	Low	51.7	Low	89 Å²	89	89.2 Å²	89.2	62%	0.622	50%	0.498	S	S	*	.	S	Bend	trans	-87.4	-17.4	-173.4	-58	0	0	0	0	114.2	R533 L534	R533-S537 PolarHBondContact O-OG 3.43Å; L534-S537 VanDerWaalsContact O-CB 3.29Å; L534-S537 WeakPolarHBondContact O-CB 3.43Å; L534-S537 PolarHBondContact O-N 3.43Å; L534-S537 PolarHBondContact O-OG 3.1Å
538	E	47.8	Very low	51.2	Low	172 Å²	172	87.5 Å²	87.5	80%	0.804	49%	0.493	S	S	*	.	S	Bend	trans	-81.7	133.1	177.5	-72.6	-162.8	128.3	0	0	112.7	A540	E538-A540 PolarHBondContact O-N 2.95Å
539	T	37.9	Very low	50.8	Low	157 Å²	157	88.3 Å²	88.3	96%	0.963	49%	0.494	S	S	*	.			trans	-75	66.5	-178.8	52.1	0	0	0	0	112.9
540	A	39.7	Very low	50.7	Low	44 Å²	44	91.3 Å²	91.3	36%	0.364	52%	0.515	S	S	.	.			trans	-93.2	133.5	172.1	0	0	0	0	0	111.4	E538	E538-A540 PolarHBondContact O-N 2.95Å
541	G	41.1	Very low	50.4	Low	52 Å²	52	92.5 Å²	92.5	54%	0.536	52%	0.521	S	S	.	.			trans	-59.9	166.3	-168.8	0	0	0	0	0	116.2	T543 S544 L545	G541-T543 PolarHBondContact O-N 3.46Å; G541-S544 WeakPolarHBondContact O-CA 3.36Å; G541-S544 VanDerWaalsContact O-CB 3.28Å; G541-S544 WeakPolarHBondContact O-CB 3.42Å; G541-S544 PolarHBondContact O-N 2.88Å; G541-L545 PolarHBondContact O-N 3.41Å
542	A	43.6	Very low	49.8	Very low	68 Å²	68	87.7 Å²	87.7	56%	0.562	50%	0.501	S	S	*	.	H	α-helix	trans	-53.2	-25.1	-167.8	0	0	0	0	0	116.5	N546	A542-N546 WeakPolarHBondContact O-CB 3.43Å; A542-N546 PolarHBondContact O-N 3.02Å; A542-N546 PolarHBondContact O-ND2 3.47Å
543	T	46.1	Very low	49.6	Very low	127 Å²	127	91.7 Å²	91.7	78%	0.779	52%	0.519	S	S	*	.	H	α-helix	trans	-71.6	-32.6	172.4	28.6	0	0	0	0	113.4	G541 R547	G541-T543 PolarHBondContact O-N 3.46Å; T543-R547 PolarHBondContact O-N 3.27Å
544	S	49.9	Very low	49.4	Very low	55 Å²	55	95.3 Å²	95.3	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-66.3	-54.8	169.4	-172	0	0	0	0	109.9	G541 N546 R547 S548	G541-S544 WeakPolarHBondContact O-CA 3.36Å; G541-S544 VanDerWaalsContact O-CB 3.28Å; G541-S544 WeakPolarHBondContact O-CB 3.42Å; G541-S544 PolarHBondContact O-N 2.88Å; S544-N546 PolarHBondContact O-N 3.34Å; S544-R547 WeakPolarHBondContact O-CA 3.36Å; S544-R547 WeakPolarHBondContact O-CB 3.46Å; S544-R547 PolarHBondContact O-N 2.74Å; S544-S548 PolarHBondContact O-N 2.98Å; S544-S548 PolarHBondContact O-OG 3.17Å
545	L	48.9	Very low	49.1	Very low	68 Å²	68	90.5 Å²	90.5	36%	0.356	51%	0.509	S	S	.	.	H	α-helix	trans	-54.2	-47.1	179.3	-79.9	163.6	0	0	0	112.8	G541 R547 S548 L549	G541-L545 PolarHBondContact O-N 3.41Å; L545-R547 VanDerWaalsContact C-N 3.28Å; L545-R547 PolarHBondContact O-N 2.97Å; L545-S548 PolarHBondContact O-N 2.87Å; L545-L549 WeakPolarHBondContact O-CB 3.44Å; L545-L549 PolarHBondContact O-N 2.95Å
546	N	50.6	Low	49	Very low	113 Å²	113	87.6 Å²	87.6	60%	0.604	48%	0.484	S	S	*	.	H	α-helix	trans	-61.6	-34.8	176.4	-83.8	-57.7	0	0	0	113	A542 S544 S550	A542-N546 WeakPolarHBondContact O-CB 3.43Å; A542-N546 PolarHBondContact O-N 3.02Å; A542-N546 PolarHBondContact O-ND2 3.47Å; S544-N546 PolarHBondContact O-N 3.34Å; N546-S550 WeakPolarHBondContact O-CB 3.47Å; N546-S550 PolarHBondContact O-N 3.17Å
547	R	52	Low	49.1	Very low	187 Å²	187	91.7 Å²	91.7	71%	0.706	50%	0.504	S	S	*	.	H	α-helix	trans	-70.1	-47.7	177.1	-156	175.6	-163.4	167.1	4	110.6	T543 S544 L545 L549 S550 L551	T543-R547 PolarHBondContact O-N 3.27Å; S544-R547 WeakPolarHBondContact O-CA 3.36Å; S544-R547 WeakPolarHBondContact O-CB 3.46Å; S544-R547 PolarHBondContact O-N 2.74Å; L545-R547 VanDerWaalsContact C-N 3.28Å; L545-R547 PolarHBondContact O-N 2.97Å; R547-L549 PolarHBondContact O-N 3.2Å; R547-S550 PolarHBondContact O-N 3.24Å; R547-S550 PolarHBondContact O-OG 3.28Å; R547-L551 WeakPolarHBondContact O-CG 3.5Å; R547-L551 PolarHBondContact O-N 3.49Å
548	S	49.8	Very low	49.2	Very low	45 Å²	45	91.4 Å²	91.4	32%	0.315	49%	0.493	S	S	.	.	H	α-helix	trans	-60.2	-43.5	175.3	-58.6	0	0	0	0	112.1	S544 L545 S550 L551 L552	S544-S548 PolarHBondContact O-N 2.98Å; S544-S548 PolarHBondContact O-OG 3.17Å; L545-S548 PolarHBondContact O-N 2.87Å; S548-S550 VanDerWaalsContact C-N 3.31Å; S548-S550 PolarHBondContact O-N 3.35Å; S548-L551 WeakPolarHBondContact O-CB 3.44Å; S548-L551 PolarHBondContact O-N 3.5Å; S548-L552 VanDerWaalsContact O-CB 3.31Å; S548-L552 WeakPolarHBondContact O-CB 3.4Å; S548-L552 PolarHBondContact O-N 2.84Å
549	L	52.3	Low	49.2	Very low	45 Å²	45	84 Å²	84	24%	0.236	46%	0.46	C	S	.	.	H	α-helix	trans	-69.8	-28.3	178.6	-152	159.7	0	0	0	111.6	L545 R547 K553	L545-L549 WeakPolarHBondContact O-CB 3.44Å; L545-L549 PolarHBondContact O-N 2.95Å; R547-L549 PolarHBondContact O-N 3.2Å; L549-K553 HydrophobicContact CD2-CD 3.9Å; L549-K553 VanDerWaalsContact CD2-CE 3.4Å; L549-K553 HydrophobicContact CD2-CG 4.28Å; L549-K553 WeakPolarHBondContact O-CB 3.41Å; L549-K553 WeakPolarHBondContact O-CG 3.41Å; L549-K553 PolarHBondContact O-N 3.06Å
550	S	56.2	Low	49.8	Very low	67 Å²	67	79.9 Å²	79.9	47%	0.469	44%	0.437	S	S	.	.	H	α-helix	trans	-70.5	-38.6	169.9	81.6	0	0	0	0	112.8	N546 R547 S548 R554	N546-S550 WeakPolarHBondContact O-CB 3.47Å; N546-S550 PolarHBondContact O-N 3.17Å; R547-S550 PolarHBondContact O-N 3.24Å; R547-S550 PolarHBondContact O-OG 3.28Å; S548-S550 VanDerWaalsContact C-N 3.31Å; S548-S550 PolarHBondContact O-N 3.35Å; S550-R554 PolarHBondContact O-N 3.09Å; S550-R554 VanDerWaalsContact O-N 3.14Å
551	L	53.5	Low	50.6	Low	104 Å²	104	82.8 Å²	82.8	55%	0.545	45%	0.446	S	S	.	.	H	α-helix	trans	-67.7	-43	174.6	-70.6	162.4	0	0	0	110.7	R547 S548 R554 S555	R547-L551 WeakPolarHBondContact O-CG 3.5Å; R547-L551 PolarHBondContact O-N 3.49Å; S548-L551 WeakPolarHBondContact O-CB 3.44Å; S548-L551 PolarHBondContact O-N 3.5Å; L551-R554 CarbonylContact O-C 3.51Å; L551-R554 PolarHBondContact O-N 2.78Å; L551-R554 VanDerWaalsContact O-N 3.11Å; L551-S555 PolarHBondContact O-N 2.89Å
552	L	52.3	Low	51.3	Low	17 Å²	17	80.4 Å²	80.4	9%	0.089	42%	0.421	C	S	.	.	H	α-helix	trans	-65.6	-36.8	178	-164.3	66.7	0	0	0	112.5	F536 S548 R554 S555 H556 E624 I628	F536-L552 HydrophobicContact CE1-CD2 4.34Å; F536-L552 HydrophobicContact CZ-CD1 4.3Å; F536-L552 HydrophobicContact CZ-CD2 3.76Å; S548-L552 VanDerWaalsContact O-CB 3.31Å; S548-L552 WeakPolarHBondContact O-CB 3.4Å; S548-L552 PolarHBondContact O-N 2.84Å; L552-R554 VanDerWaalsContact C-N 3.34Å; L552-S555 WeakPolarHBondContact CA-OG 3.2Å; L552-S555 PolarHBondContact O-OG 3.02Å; L552-H556 WeakPolarHBondContact O-CB 3.42Å; L552-H556 PolarHBondContact O-N 2.95Å; L552-E624 HydrophobicContact CD1-CG 4.36Å; L552-I628 HydrophobicContact CD2-CD1 4.32Å; L552-I628 HydrophobicContact CD2-CG1 3.54Å; L552-I628 HydrophobicContact CG-CD1 4.07Å; L552-I628 HydrophobicContact CG-CG1 3.85Å
553	K	52.8	Low	52	Low	130 Å²	130	78.2 Å²	78.2	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-65.3	-36.9	170.1	-80.5	171.6	175.7	167.4	0	112.5	L549 Q557	L549-K553 HydrophobicContact CD2-CD 3.9Å; L549-K553 VanDerWaalsContact CD2-CE 3.4Å; L549-K553 HydrophobicContact CD2-CG 4.28Å; L549-K553 WeakPolarHBondContact O-CB 3.41Å; L549-K553 WeakPolarHBondContact O-CG 3.41Å; L549-K553 PolarHBondContact O-N 3.06Å; K553-Q557 PolarHBondContact O-N 3.4Å
554	R	53.1	Low	52.5	Low	171 Å²	171	77.1 Å²	77.1	65%	0.645	39%	0.391	S	S	*	.	H	α-helix	trans	-72.9	-40.4	177.1	-179.9	174.1	-86	167.5	-7.9	111.9	S550 L551 L552 Q558	S550-R554 PolarHBondContact O-N 3.09Å; S550-R554 VanDerWaalsContact O-N 3.14Å; L551-R554 CarbonylContact O-C 3.51Å; L551-R554 PolarHBondContact O-N 2.78Å; L551-R554 VanDerWaalsContact O-N 3.11Å; L552-R554 VanDerWaalsContact C-N 3.34Å; R554-Q558 WeakPolarHBondContact O-CG 3.5Å; R554-Q558 PolarHBondContact O-N 3.43Å
555	S	47.9	Very low	53	Low	21 Å²	21	75.7 Å²	75.7	15%	0.147	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-49.4	172.2	64.2	0	0	0	0	110.1	L551 L552 Q557 Q558 C559	L551-S555 PolarHBondContact O-N 2.89Å; L552-S555 WeakPolarHBondContact CA-OG 3.2Å; L552-S555 PolarHBondContact O-OG 3.02Å; S555-Q557 PolarHBondContact O-N 3.01Å; S555-Q558 CarbonylContact O-C 3.34Å; S555-Q558 WeakPolarHBondContact O-CA 3.33Å; S555-Q558 WeakPolarHBondContact O-CB 3.38Å; S555-Q558 PolarHBondContact O-N 2.85Å; S555-C559 PolarHBondContact O-N 2.95Å; S555-C559 PolarHBondContact O-SG 3.3Å
556	H	53.5	Low	53.7	Low	47 Å²	47	72.6 Å²	72.6	22%	0.218	36%	0.363	C	S	.	.	H	α-helix	trans	-55.8	-46.2	178.6	-179.8	75	0	0	0	112.7	L552 Q558 C559 C560 I628	L552-H556 WeakPolarHBondContact O-CB 3.42Å; L552-H556 PolarHBondContact O-N 2.95Å; H556-Q558 PolarHBondContact O-N 3.16Å; H556-C559 WeakPolarHBondContact O-CB 3.41Å; H556-C559 PolarHBondContact O-N 2.91Å; H556-C560 PolarHBondContact O-N 3.49Å; H556-C560 PolarHBondContact O-SG 3.33Å; H556-I628 HydrophobicContact CB-CD1 4.14Å
557	Q	52.4	Low	54.2	Low	146 Å²	146	73.3 Å²	73.3	68%	0.682	36%	0.361	S	S	*	.	H	α-helix	trans	-58.2	-33.9	174.4	-85.4	-168.8	-49.2	0	0	113.5	K553 S555	K553-Q557 PolarHBondContact O-N 3.4Å; S555-Q557 PolarHBondContact O-N 3.01Å
558	Q	50.8	Low	54.6	Low	83 Å²	83	66.7 Å²	66.7	39%	0.388	34%	0.343	S	S	.	.	H	α-helix	trans	-80.1	-35.7	176.8	-66.3	176.9	-35.7	0	0	112.1	P432 R554 S555 H556 C560 L561	P432-Q558 HydrophobicContact CB-CB 3.73Å; P432-Q558 HydrophobicContact CG-CB 3.79Å; P432-Q558 WeakPolarHBondContact CG-O 3.27Å; R554-Q558 WeakPolarHBondContact O-CG 3.5Å; R554-Q558 PolarHBondContact O-N 3.43Å; S555-Q558 CarbonylContact O-C 3.34Å; S555-Q558 WeakPolarHBondContact O-CA 3.33Å; S555-Q558 WeakPolarHBondContact O-CB 3.38Å; S555-Q558 PolarHBondContact O-N 2.85Å; H556-Q558 PolarHBondContact O-N 3.16Å; Q558-C560 VanDerWaalsContact C-N 3.29Å; Q558-C560 PolarHBondContact O-N 2.94Å; Q558-L561 PolarHBondContact O-N 2.88Å; Q558-L561 VanDerWaalsContact O-N 3.16Å
559	C	48.4	Very low	55.3	Low	16 Å²	16	64.8 Å²	64.8	11%	0.108	33%	0.33	C	S	.	.	H	α-helix	trans	-58.1	-42.2	173.3	-61.1	0	0	0	0	111.4	F434 S555 H556 L561 A562 P563	F434-C559 WeakPolarHBondContact CD1-SG 3.31Å; S555-C559 PolarHBondContact O-N 2.95Å; S555-C559 PolarHBondContact O-SG 3.3Å; H556-C559 WeakPolarHBondContact O-CB 3.41Å; H556-C559 PolarHBondContact O-N 2.91Å; C559-L561 PolarHBondContact O-N 3.46Å; C559-L561 VanDerWaalsContact O-N 3.14Å; C559-A562 PolarHBondContact O-N 3Å; C559-P563 WeakPolarHBondContact O-CD 3.49Å
560	C	51.6	Low	55.8	Low	71 Å²	71	63.1 Å²	63.1	48%	0.48	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.2	179.2	-67.4	0	0	0	0	114.3	H556 Q558	H556-C560 PolarHBondContact O-N 3.49Å; H556-C560 PolarHBondContact O-SG 3.33Å; Q558-C560 VanDerWaalsContact C-N 3.29Å; Q558-C560 PolarHBondContact O-N 2.94Å
561	L	55.5	Low	56.2	Low	106 Å²	106	64.3 Å²	64.3	56%	0.555	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-25.2	177.5	-64.8	171.1	0	0	0	113	Q558 C559 D564 V565	Q558-L561 PolarHBondContact O-N 2.88Å; Q558-L561 VanDerWaalsContact O-N 3.16Å; C559-L561 PolarHBondContact O-N 3.46Å; C559-L561 VanDerWaalsContact O-N 3.14Å; L561-D564 PolarHBondContact O-N 2.92Å; L561-D564 VanDerWaalsContact O-N 3.12Å; L561-V565 WeakPolarHBondContact O-CG2 3.49Å; L561-V565 PolarHBondContact O-N 2.83Å; L561-V565 VanDerWaalsContact O-N 3.1Å
562	A	56.9	Low	56.8	Low	2 Å²	2	59.6 Å²	59.6	2%	0.017	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-36.6	-175.3	0	0	0	0	0	114.4	W431 V435 C559 V565 M566 M617	W431-A562 HydrophobicContact CZ3-CB 4.21Å; V435-A562 HydrophobicContact CG2-CB 3.75Å; C559-A562 PolarHBondContact O-N 3Å; A562-V565 PolarHBondContact O-N 3.48Å; A562-M566 WeakPolarHBondContact O-CB 3.38Å; A562-M566 PolarHBondContact O-N 3.05Å; A562-M617 HydrophobicContact CB-SD 3.89Å
563	P	58	Low	57.4	Low	21 Å²	21	59 Å²	59	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-39.9	170.9	-26	35.9	0	0	0	113.7	C559 M566 F567 F614	C559-P563 WeakPolarHBondContact O-CD 3.49Å; P563-M566 PolarHBondContact O-N 2.83Å; P563-F567 VanDerWaalsContact O-CB 3.27Å; P563-F567 WeakPolarHBondContact O-CB 3.4Å; P563-F567 PolarHBondContact O-N 3.43Å; P563-F614 HydrophobicContact CB-CD2 4.11Å; P563-F614 HydrophobicContact CB-CE2 3.73Å; P563-F614 WeakPolarHBondContact O-CE2 3.49Å
564	D	56.6	Low	57.9	Low	105 Å²	105	58.3 Å²	58.3	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-69.6	-37.6	-179.8	-70.4	-17.8	0	0	0	111.5	L561 F567 S568	L561-D564 PolarHBondContact O-N 2.92Å; L561-D564 VanDerWaalsContact O-N 3.12Å; D564-F567 PolarHBondContact O-N 3.39Å; D564-S568 WeakPolarHBondContact O-CB 3.2Å; D564-S568 PolarHBondContact O-N 2.78Å; D564-S568 PolarHBondContact O-OG 3.44Å
565	V	60.1	Low	58.4	Low	24 Å²	24	51.3 Å²	51.3	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-51.3	172	177.5	0	0	0	0	110.3	F424 F429 W431 L561 A562 F567 S568 L569	F424-V565 HydrophobicContact CE2-CG1 3.93Å; F424-V565 HydrophobicContact CZ-CG1 4.13Å; F429-V565 HydrophobicContact CD2-CG1 4.37Å; F429-V565 HydrophobicContact CD2-CG2 4.34Å; F429-V565 HydrophobicContact CE1-CG1 3.95Å; F429-V565 HydrophobicContact CE2-CB 4.28Å; F429-V565 HydrophobicContact CE2-CG1 3.73Å; F429-V565 HydrophobicContact CE2-CG2 3.58Å; F429-V565 HydrophobicContact CZ-CB 4.31Å; F429-V565 HydrophobicContact CZ-CG1 3.5Å; F429-V565 VanDerWaalsContact CZ-CG1 3.5Å; F429-V565 HydrophobicContact CZ-CG2 4.06Å; W431-V565 HydrophobicContact CH2-CB 4.09Å; W431-V565 HydrophobicContact CH2-CG1 3.46Å; W431-V565 VanDerWaalsContact CH2-CG1 3.46Å; W431-V565 HydrophobicContact CZ2-CG1 4.06Å; W431-V565 HydrophobicContact CZ3-CB 4.09Å; W431-V565 HydrophobicContact CZ3-CG1 3.82Å; L561-V565 WeakPolarHBondContact O-CG2 3.49Å; L561-V565 PolarHBondContact O-N 2.83Å; L561-V565 VanDerWaalsContact O-N 3.1Å; A562-V565 PolarHBondContact O-N 3.48Å; V565-F567 VanDerWaalsContact C-N 3.29Å; V565-F567 PolarHBondContact O-N 2.66Å; V565-S568 WeakPolarHBondContact O-CA 3.3Å; V565-S568 WeakPolarHBondContact O-CB 3.46Å; V565-S568 PolarHBondContact O-N 3.09Å; V565-S568 VanDerWaalsContact O-N 3.08Å; V565-L569 PolarHBondContact O-N 3.22Å
566	M	62.8	Low	59.1	Low	4 Å²	4	50.4 Å²	50.4	2%	0.02	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-33.8	178.2	-81.8	-57.2	-69.9	0	0	112.6	W431 A562 P563 S568 L569 C570 L613 M617	W431-M566 HydrophobicContact CH2-CG 3.66Å; W431-M566 HydrophobicContact CH2-SD 3.57Å; W431-M566 VanDerWaalsContact CH2-SD 3.57Å; W431-M566 HydrophobicContact CZ2-SD 4Å; W431-M566 HydrophobicContact CZ3-CG 4.21Å; A562-M566 WeakPolarHBondContact O-CB 3.38Å; A562-M566 PolarHBondContact O-N 3.05Å; P563-M566 PolarHBondContact O-N 2.83Å; M566-S568 VanDerWaalsContact C-N 3.33Å; M566-L569 HydrophobicContact CE-CD2 4.34Å; M566-L569 PolarHBondContact O-N 3.46Å; M566-L569 HydrophobicContact SD-CD2 3.78Å; M566-C570 VanDerWaalsContact O-CB 3.24Å; M566-C570 WeakPolarHBondContact O-CB 3.36Å; M566-C570 PolarHBondContact O-N 3.24Å; M566-C570 PolarHBondContact O-SG 3.48Å; M566-L613 HydrophobicContact CE-CD1 4.47Å; M566-M617 HydrophobicContact CB-CE 4.11Å; M566-M617 HydrophobicContact CG-CE 3.49Å; M566-M617 VanDerWaalsContact CG-CE 3.49Å
567	F	60.9	Low	59.7	Low	128 Å²	128	50 Å²	50	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-64.1	-39.8	172.8	-178.9	-93.3	0	0	0	111.7	P563 D564 V565 C570 K571 F614	P563-F567 VanDerWaalsContact O-CB 3.27Å; P563-F567 WeakPolarHBondContact O-CB 3.4Å; P563-F567 PolarHBondContact O-N 3.43Å; D564-F567 PolarHBondContact O-N 3.39Å; V565-F567 VanDerWaalsContact C-N 3.29Å; V565-F567 PolarHBondContact O-N 2.66Å; F567-C570 PolarHBondContact O-N 2.9Å; F567-K571 PolarHBondContact O-N 2.83Å; F567-F614 HydrophobicContact CB-CE2 4.26Å
568	S	61	Low	60.2	Low	47 Å²	47	49.4 Å²	49.4	33%	0.329	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-46.2	175.1	-54.2	0	0	0	0	111.3	D564 V565 M566 C570 K571 E572	D564-S568 WeakPolarHBondContact O-CB 3.2Å; D564-S568 PolarHBondContact O-N 2.78Å; D564-S568 PolarHBondContact O-OG 3.44Å; V565-S568 WeakPolarHBondContact O-CA 3.3Å; V565-S568 WeakPolarHBondContact O-CB 3.46Å; V565-S568 PolarHBondContact O-N 3.09Å; V565-S568 VanDerWaalsContact O-N 3.08Å; M566-S568 VanDerWaalsContact C-N 3.33Å; S568-C570 PolarHBondContact O-N 3.49Å; S568-K571 WeakPolarHBondContact O-CB 3.22Å; S568-K571 PolarHBondContact O-N 2.87Å; S568-K571 VanDerWaalsContact O-N 3.09Å; S568-E572 PolarHBondContact O-N 3.21Å
569	L	63.6	Low	60.8	Low	5 Å²	5	46.2 Å²	46.2	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-46.4	173.5	-164	72	0	0	0	111.5	F449 V565 M566 K571 E572 I573	F449-L569 HydrophobicContact CD1-CD1 3.7Å; F449-L569 HydrophobicContact CD1-CG 4.38Å; F449-L569 HydrophobicContact CE1-CD1 4.17Å; V565-L569 PolarHBondContact O-N 3.22Å; M566-L569 HydrophobicContact CE-CD2 4.34Å; M566-L569 PolarHBondContact O-N 3.46Å; M566-L569 HydrophobicContact SD-CD2 3.78Å; L569-K571 PolarHBondContact O-N 2.87Å; L569-E572 PolarHBondContact O-N 2.81Å; L569-I573 HydrophobicContact CG-CD1 4.2Å; L569-I573 VanDerWaalsContact O-CG1 3.23Å; L569-I573 WeakPolarHBondContact O-CG1 3.26Å; L569-I573 PolarHBondContact O-N 3.08Å
570	C	63.8	Low	61.6	Low	11 Å²	11	46 Å²	46	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-31.5	174.3	-73	0	0	0	0	113.3	M566 F567 S568 R574 S610	M566-C570 VanDerWaalsContact O-CB 3.24Å; M566-C570 WeakPolarHBondContact O-CB 3.36Å; M566-C570 PolarHBondContact O-N 3.24Å; M566-C570 PolarHBondContact O-SG 3.48Å; F567-C570 PolarHBondContact O-N 2.9Å; S568-C570 PolarHBondContact O-N 3.49Å; C570-R574 WeakPolarHBondContact O-CG 3.49Å; C570-R574 PolarHBondContact O-N 3.13Å; C570-S610 VanDerWaalsContact SG-CB 3.59Å; C570-S610 PolarHBondContact SG-OG 3.36Å; C570-S610 VanDerWaalsContact SG-OG 3.41Å
571	K	65.6	Low	62.1	Low	91 Å²	91	44.1 Å²	44.1	40%	0.396	22%	0.218	S	C	.	.	H	α-helix	trans	-69.5	-50.2	175	178.3	-178	163.6	-74.9	0	109.9	F567 S568 L569 I573 R574 T575	F567-K571 PolarHBondContact O-N 2.83Å; S568-K571 WeakPolarHBondContact O-CB 3.22Å; S568-K571 PolarHBondContact O-N 2.87Å; S568-K571 VanDerWaalsContact O-N 3.09Å; L569-K571 PolarHBondContact O-N 2.87Å; K571-I573 PolarHBondContact O-N 3.2Å; K571-R574 CarbonylContact O-C 3.54Å; K571-R574 WeakPolarHBondContact O-CA 3.44Å; K571-R574 WeakPolarHBondContact O-CB 3.41Å; K571-R574 PolarHBondContact O-N 3.15Å; K571-T575 PolarHBondContact O-N 2.93Å; K571-T575 PolarHBondContact O-OG1 2.76Å; K571-T575 VanDerWaalsContact O-OG1 3.08Å
572	E	64.7	Low	62.4	Low	5 Å²	5	42.4 Å²	42.4	2%	0.023	21%	0.214	C	C	.	.	H	α-helix	trans	-71.1	-31.1	-178.1	-51.3	-40.1	153.6	0	0	113.6	T423 L453 S568 L569 R574 T575 A576	T423-E572 VanDerWaalsContact CB-OE1 3.29Å; T423-E572 WeakPolarHBondContact CB-OE1 3.5Å; T423-E572 PolarHBondContact OG1-OE1 2.99Å; L453-E572 HydrophobicContact CD1-CB 4.04Å; S568-E572 PolarHBondContact O-N 3.21Å; L569-E572 PolarHBondContact O-N 2.81Å; E572-R574 PolarHBondContact O-N 3.36Å; E572-T575 PolarHBondContact O-N 3.43Å; E572-T575 PolarHBondContact OE2-OG1 3.46Å; E572-A576 VanDerWaalsContact O-CB 3.28Å; E572-A576 WeakPolarHBondContact O-CB 3.47Å; E572-A576 PolarHBondContact O-N 2.89Å
573	I	64.5	Low	62.7	Low	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-52.7	-43	164.7	-68.3	162.9	0	0	0	110.7	F449 L569 K571 F577 I603 V607	F449-I573 HydrophobicContact CD1-CG1 4.31Å; F449-I573 HydrophobicContact CE1-CD1 4.45Å; F449-I573 HydrophobicContact CE1-CG1 3.5Å; F449-I573 HydrophobicContact CE2-CG1 3.86Å; F449-I573 HydrophobicContact CZ-CB 4.11Å; F449-I573 HydrophobicContact CZ-CD1 4.44Å; F449-I573 HydrophobicContact CZ-CG1 3.27Å; L569-I573 HydrophobicContact CG-CD1 4.2Å; L569-I573 VanDerWaalsContact O-CG1 3.23Å; L569-I573 WeakPolarHBondContact O-CG1 3.26Å; L569-I573 PolarHBondContact O-N 3.08Å; K571-I573 PolarHBondContact O-N 3.2Å; I573-F577 VanDerWaalsContact O-CB 3.24Å; I573-F577 WeakPolarHBondContact O-CB 3.45Å; I573-F577 PolarHBondContact O-N 3.32Å; I573-I603 HydrophobicContact CG2-CG2 3.75Å; I573-V607 HydrophobicContact CG2-CG2 3.47Å; I573-V607 VanDerWaalsContact CG2-CG2 3.47Å
574	R	64.3	Low	62.9	Low	116 Å²	116	44 Å²	44	44%	0.438	22%	0.22	S	C	.	.	H	α-helix	trans	-75.7	-36.4	178.7	-68.9	174.6	-164.3	170.8	10.6	113.1	C570 K571 E572 F577 Q578 V607	C570-R574 WeakPolarHBondContact O-CG 3.49Å; C570-R574 PolarHBondContact O-N 3.13Å; K571-R574 CarbonylContact O-C 3.54Å; K571-R574 WeakPolarHBondContact O-CA 3.44Å; K571-R574 WeakPolarHBondContact O-CB 3.41Å; K571-R574 PolarHBondContact O-N 3.15Å; E572-R574 PolarHBondContact O-N 3.36Å; R574-F577 PolarHBondContact O-N 3.4Å; R574-Q578 WeakPolarHBondContact O-CG 3.12Å; R574-Q578 PolarHBondContact O-N 2.91Å; R574-V607 HydrophobicContact CG-CG2 4.44Å
575	T	64.4	Low	63.3	Low	24 Å²	24	47 Å²	47	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-50.1	173.9	-42.3	0	0	0	0	110.1	C420 K571 E572 F577 Q578 L579	C420-T575 WeakPolarHBondContact SG-CG2 3.35Å; K571-T575 PolarHBondContact O-N 2.93Å; K571-T575 PolarHBondContact O-OG1 2.76Å; K571-T575 VanDerWaalsContact O-OG1 3.08Å; E572-T575 PolarHBondContact O-N 3.43Å; E572-T575 PolarHBondContact OE2-OG1 3.46Å; T575-F577 PolarHBondContact O-N 3.39Å; T575-Q578 PolarHBondContact O-N 2.97Å; T575-L579 HydrophobicContact CG2-CD1 4.43Å; T575-L579 WeakPolarHBondContact O-CG 3.14Å; T575-L579 PolarHBondContact O-N 3.3Å
576	A	62.7	Low	63.2	Low	2 Å²	2	50.3 Å²	50.3	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-44.7	174.7	0	0	0	0	0	112.1	L453 L456 E572 Q578 L579 L580	L453-A576 HydrophobicContact CD2-CB 3.58Å; L456-A576 HydrophobicContact CD2-CB 3.67Å; E572-A576 VanDerWaalsContact O-CB 3.28Å; E572-A576 WeakPolarHBondContact O-CB 3.47Å; E572-A576 PolarHBondContact O-N 2.89Å; A576-Q578 PolarHBondContact O-N 2.66Å; A576-L579 PolarHBondContact O-N 2.9Å; A576-L580 VanDerWaalsContact O-CG 3.29Å; A576-L580 WeakPolarHBondContact O-CG 3.26Å; A576-L580 PolarHBondContact O-N 2.91Å
577	F	64.3	Low	63.1	Low	39 Å²	39	51.4 Å²	51.4	17%	0.171	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-41.9	175.6	-171.9	-98.4	0	0	0	112.6	I573 R574 T575 L580 N581 K600 I603	I573-F577 VanDerWaalsContact O-CB 3.24Å; I573-F577 WeakPolarHBondContact O-CB 3.45Å; I573-F577 PolarHBondContact O-N 3.32Å; R574-F577 PolarHBondContact O-N 3.4Å; T575-F577 PolarHBondContact O-N 3.39Å; F577-L580 PolarHBondContact O-N 3.48Å; F577-N581 WeakPolarHBondContact CD1-ND2 3.28Å; F577-N581 WeakPolarHBondContact CE1-ND2 3.49Å; F577-N581 PolarHBondContact O-N 2.95Å; F577-N581 PolarHBondContact O-ND2 3.12Å; F577-K600 HydrophobicContact CE2-CB 4.26Å; F577-K600 HydrophobicContact CE2-CG 3.55Å; F577-K600 WeakPolarHBondContact CE2-O 3.09Å; F577-K600 HydrophobicContact CZ-CD 4.4Å; F577-K600 HydrophobicContact CZ-CG 3.63Å; F577-I603 HydrophobicContact CB-CG2 4.28Å; F577-I603 HydrophobicContact CD2-CB 3.95Å; F577-I603 HydrophobicContact CD2-CG2 3.58Å; F577-I603 HydrophobicContact CE2-CB 4.34Å; F577-I603 HydrophobicContact CE2-CG2 4.31Å; F577-I603 HydrophobicContact CG-CG2 4.37Å
578	Q	64.3	Low	62.9	Low	132 Å²	132	50.2 Å²	50.2	62%	0.617	27%	0.265	S	S	*	.	H	α-helix	trans	-63.9	-41	175.4	-74.2	175.9	-5.4	0	0	111.6	R574 T575 A576 N581 C582	R574-Q578 WeakPolarHBondContact O-CG 3.12Å; R574-Q578 PolarHBondContact O-N 2.91Å; T575-Q578 PolarHBondContact O-N 2.97Å; A576-Q578 PolarHBondContact O-N 2.66Å; Q578-N581 PolarHBondContact O-N 3Å; Q578-C582 PolarHBondContact O-N 3.39Å; Q578-C582 VanDerWaalsContact O-N 3.12Å; Q578-C582 PolarHBondContact O-SG 2.89Å
579	L	62.8	Low	63	Low	17 Å²	17	49.5 Å²	49.5	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-46.8	175.1	-73.2	163	0	0	0	112.5	A416 I460 T575 A576 N581 C582 I583	A416-L579 HydrophobicContact CB-CD1 3.94Å; A416-L579 HydrophobicContact CB-CD2 3.48Å; A416-L579 VanDerWaalsContact CB-CD2 3.48Å; A416-L579 HydrophobicContact CB-CG 4.12Å; I460-L579 HydrophobicContact CD1-CB 3.96Å; I460-L579 HydrophobicContact CD1-CD1 4.03Å; I460-L579 HydrophobicContact CD1-CD2 4.37Å; I460-L579 HydrophobicContact CD1-CG 4.34Å; T575-L579 HydrophobicContact CG2-CD1 4.43Å; T575-L579 WeakPolarHBondContact O-CG 3.14Å; T575-L579 PolarHBondContact O-N 3.3Å; A576-L579 PolarHBondContact O-N 2.9Å; L579-N581 VanDerWaalsContact C-N 3.27Å; L579-N581 PolarHBondContact O-N 3.48Å; L579-C582 WeakPolarHBondContact O-CA 3.46Å; L579-C582 WeakPolarHBondContact O-CB 3.33Å; L579-C582 PolarHBondContact O-N 2.82Å; L579-I583 WeakPolarHBondContact O-CG1 3.38Å; L579-I583 PolarHBondContact O-N 3.37Å
580	L	64.9	Low	63	Low	10 Å²	10	53 Å²	53	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-38.9	174.4	-69.8	165.7	0	0	0	111.7	F452 L456 A576 F577 C582 I583 Q584 F596 L599 I603	F452-L580 HydrophobicContact CZ-CD1 4.36Å; L456-L580 HydrophobicContact CD1-CD2 3.63Å; L456-L580 HydrophobicContact CD1-CG 4.24Å; L456-L580 HydrophobicContact CD2-CD1 4.29Å; L456-L580 HydrophobicContact CD2-CD2 4.3Å; L456-L580 HydrophobicContact CD2-CG 4.11Å; A576-L580 VanDerWaalsContact O-CG 3.29Å; A576-L580 WeakPolarHBondContact O-CG 3.26Å; A576-L580 PolarHBondContact O-N 2.91Å; F577-L580 PolarHBondContact O-N 3.48Å; L580-C582 VanDerWaalsContact C-N 3.29Å; L580-C582 PolarHBondContact O-N 3.29Å; L580-I583 PolarHBondContact O-N 2.91Å; L580-Q584 WeakPolarHBondContact O-CB 3.44Å; L580-Q584 PolarHBondContact O-N 3.01Å; L580-F596 HydrophobicContact CB-CD1 4.26Å; L580-F596 HydrophobicContact CB-CE1 3.97Å; L580-F596 HydrophobicContact CD2-CD1 4.24Å; L580-F596 HydrophobicContact CD2-CE1 3.53Å; L580-F596 HydrophobicContact CD2-CZ 4.33Å; L580-F596 HydrophobicContact CG-CE1 4.37Å; L580-F596 WeakPolarHBondContact O-CE1 3.31Å; L580-L599 HydrophobicContact CD1-CD2 4.08Å; L580-L599 HydrophobicContact CD2-CD2 4.1Å; L580-I603 HydrophobicContact CD1-CD1 3.5Å; L580-I603 VanDerWaalsContact CD1-CD1 3.5Å
581	N	63.5	Low	63	Low	33 Å²	33	59.8 Å²	59.8	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-68.4	-23.4	174.3	-82.8	-89.8	0	0	0	113.7	F577 Q578 L579 K585 K600	F577-N581 WeakPolarHBondContact CD1-ND2 3.28Å; F577-N581 WeakPolarHBondContact CE1-ND2 3.49Å; F577-N581 PolarHBondContact O-N 2.95Å; F577-N581 PolarHBondContact O-ND2 3.12Å; Q578-N581 PolarHBondContact O-N 3Å; L579-N581 VanDerWaalsContact C-N 3.27Å; L579-N581 PolarHBondContact O-N 3.48Å; N581-K585 WeakPolarHBondContact O-CG 3.23Å; N581-K600 WeakPolarHBondContact OD1-CE 3.44Å; N581-K600 PolarHBondContact OD1-NZ 3.11Å
582	C	60.4	Low	62.7	Low	69 Å²	69	55.8 Å²	55.8	47%	0.466	31%	0.305	S	S	.	.	H	α-helix	trans	-77.1	-44.3	171.4	-70.5	0	0	0	0	111.1	Q578 L579 L580 Q584 K585 S586	Q578-C582 PolarHBondContact O-N 3.39Å; Q578-C582 VanDerWaalsContact O-N 3.12Å; Q578-C582 PolarHBondContact O-SG 2.89Å; L579-C582 WeakPolarHBondContact O-CA 3.46Å; L579-C582 WeakPolarHBondContact O-CB 3.33Å; L579-C582 PolarHBondContact O-N 2.82Å; L580-C582 VanDerWaalsContact C-N 3.29Å; L580-C582 PolarHBondContact O-N 3.29Å; C582-Q584 PolarHBondContact O-N 2.72Å; C582-K585 WeakPolarHBondContact O-CB 3.49Å; C582-K585 PolarHBondContact O-N 3.38Å; C582-K585 VanDerWaalsContact O-N 3.14Å; C582-S586 PolarHBondContact O-N 3.04Å
583	I	62.7	Low	62.8	Low	21 Å²	21	59.4 Å²	59.4	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-40.7	178.4	-55.9	160.6	0	0	0	111.1	I460 I473 L579 L580 K585 S586 Q587 F596	I460-I583 HydrophobicContact CD1-CD1 4.12Å; I460-I583 HydrophobicContact CG1-CD1 3.84Å; I473-I583 HydrophobicContact CD1-CG2 4.4Å; L579-I583 WeakPolarHBondContact O-CG1 3.38Å; L579-I583 PolarHBondContact O-N 3.37Å; L580-I583 PolarHBondContact O-N 2.91Å; I583-K585 PolarHBondContact O-N 3.19Å; I583-K585 VanDerWaalsContact O-N 3.14Å; I583-S586 PolarHBondContact O-N 3.36Å; I583-S586 VanDerWaalsContact O-N 3.13Å; I583-S586 PolarHBondContact O-OG 2.88Å; I583-Q587 HydrophobicContact CG2-CG 4.28Å; I583-Q587 PolarHBondContact O-N 3.41Å; I583-Q587 VanDerWaalsContact O-N 3.1Å; I583-F596 HydrophobicContact CB-CE1 4.15Å; I583-F596 HydrophobicContact CB-CZ 3.85Å; I583-F596 HydrophobicContact CG2-CE1 4.34Å; I583-F596 HydrophobicContact CG2-CE2 4.18Å; I583-F596 HydrophobicContact CG2-CZ 3.54Å
584	Q	64.2	Low	62.9	Low	37 Å²	37	63.5 Å²	63.5	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-25.2	175.9	-165.6	-176.2	30.6	0	0	112.8	L580 C582 K593 F596	L580-Q584 WeakPolarHBondContact O-CB 3.44Å; L580-Q584 PolarHBondContact O-N 3.01Å; C582-Q584 PolarHBondContact O-N 2.72Å; Q584-K593 HydrophobicContact CG-CG 4.34Å; Q584-K593 PolarHBondContact NE2-O 2.94Å; Q584-F596 HydrophobicContact CB-CB 4.18Å; Q584-F596 HydrophobicContact CB-CD1 3.97Å; Q584-F596 HydrophobicContact CB-CE1 4.49Å; Q584-F596 HydrophobicContact CB-CG 4.02Å; Q584-F596 HydrophobicContact CG-CB 3.7Å; Q584-F596 HydrophobicContact CG-CD1 4.44Å; Q584-F596 HydrophobicContact CG-CG 4.05Å
585	K	63	Low	62.9	Low	168 Å²	168	60.5 Å²	60.5	73%	0.73	33%	0.33	S	S	*	.	H	α-helix	trans	-82.3	-29.5	176.9	-72.1	173	-178.3	178.1	0	113.6	N581 C582 I583	N581-K585 WeakPolarHBondContact O-CG 3.23Å; C582-K585 WeakPolarHBondContact O-CB 3.49Å; C582-K585 PolarHBondContact O-N 3.38Å; C582-K585 VanDerWaalsContact O-N 3.14Å; I583-K585 PolarHBondContact O-N 3.19Å; I583-K585 VanDerWaalsContact O-N 3.14Å
586	S	58.9	Low	62.9	Low	93 Å²	93	59.6 Å²	59.6	65%	0.65	32%	0.324	S	S	*	.	H	α-helix	trans	-82.2	-27.1	176.5	54.8	0	0	0	0	112.7	C582 I583	C582-S586 PolarHBondContact O-N 3.04Å; I583-S586 PolarHBondContact O-N 3.36Å; I583-S586 VanDerWaalsContact O-N 3.13Å; I583-S586 PolarHBondContact O-OG 2.88Å
587	Q	60.9	Low	63.1	Low	27 Å²	27	63.7 Å²	63.7	13%	0.126	34%	0.343	C	S	.	.			trans	-72	141.2	-178	-75.8	-60.1	-14.8	0	0	113.7	E466 I583 V592 K593	E466-Q587 PolarHBondContact OE2-NE2 3.41Å; I583-Q587 HydrophobicContact CG2-CG 4.28Å; I583-Q587 PolarHBondContact O-N 3.41Å; I583-Q587 VanDerWaalsContact O-N 3.1Å; Q587-V592 HydrophobicContact CB-CG1 4.05Å; Q587-V592 HydrophobicContact CG-CG1 4.04Å; Q587-K593 WeakPolarHBondContact O-CE 3.46Å; Q587-K593 PolarHBondContact O-NZ 2.67Å
588	S	55.9	Low	63.1	Low	103 Å²	103	65.3 Å²	65.3	72%	0.72	35%	0.351	S	S	*	.			trans	-91.9	-44.7	-178	61.6	0	0	0	0	112.1	K593	S588-K593 PolarHBondContact O-NZ 2.92Å
589	A	63.1	Low	63.1	Low	32 Å²	32	59.5 Å²	59.5	26%	0.264	32%	0.324	S	S	.	.			trans	-56.3	143.9	-174.6	0	0	0	0	0	114.2	V592 K593	A589-V592 HydrophobicContact CB-CB 4.11Å; A589-V592 HydrophobicContact CB-CG2 3.92Å; A589-K593 WeakPolarHBondContact O-CD 3.31Å; A589-K593 WeakPolarHBondContact O-CG 3.32Å; A589-K593 PolarHBondContact O-N 3.16Å
590	A	64.3	Low	63.2	Low	78 Å²	78	61.9 Å²	61.9	65%	0.645	33%	0.334	S	S	*	.	H	α-helix	trans	-79.9	-39.3	-179	0	0	0	0	0	112.6	K593 E594	A590-K593 WeakPolarHBondContact O-CB 3.48Å; A590-K593 PolarHBondContact O-N 2.98Å; A590-K593 VanDerWaalsContact O-N 3.15Å; A590-E594 PolarHBondContact O-N 3.22Å
591	E	62.8	Low	63.2	Low	153 Å²	153	66.9 Å²	66.9	72%	0.715	36%	0.358	S	S	*	.	H	α-helix	trans	-64.2	-46.2	-179.7	-62.8	176.6	-175	0	0	110.8	K593 E594 H595	E591-K593 VanDerWaalsContact C-N 3.32Å; E591-K593 PolarHBondContact O-N 3.34Å; E591-E594 PolarHBondContact O-N 3.15Å; E591-H595 PolarHBondContact O-N 3.13Å
592	V	60.9	Low	63.1	Low	7 Å²	7	66.8 Å²	66.8	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-53.1	-47.4	169.4	175.3	0	0	0	0	111.5	E470 Q587 A589 E594 H595 F596	E470-V592 HydrophobicContact CG-CG2 3.8Å; E470-V592 WeakPolarHBondContact OE1-CG2 3.41Å; Q587-V592 HydrophobicContact CB-CG1 4.05Å; Q587-V592 HydrophobicContact CG-CG1 4.04Å; A589-V592 HydrophobicContact CB-CB 4.11Å; A589-V592 HydrophobicContact CB-CG2 3.92Å; V592-E594 VanDerWaalsContact C-N 3.32Å; V592-E594 PolarHBondContact O-N 3.27Å; V592-H595 PolarHBondContact O-N 3.35Å; V592-F596 HydrophobicContact CG1-CD2 3.58Å; V592-F596 HydrophobicContact CG1-CE2 3.65Å; V592-F596 WeakPolarHBondContact O-CB 3.43Å; V592-F596 WeakPolarHBondContact O-CD2 3.37Å; V592-F596 PolarHBondContact O-N 3.36Å
593	K	66.1	Low	63.2	Low	81 Å²	81	63.6 Å²	63.6	35%	0.352	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-36.9	-180	-80.7	168	-179.5	144	0	113.3	Q584 Q587 S588 A589 A590 E591 H597	Q584-K593 HydrophobicContact CG-CG 4.34Å; Q584-K593 PolarHBondContact NE2-O 2.94Å; Q587-K593 WeakPolarHBondContact O-CE 3.46Å; Q587-K593 PolarHBondContact O-NZ 2.67Å; S588-K593 PolarHBondContact O-NZ 2.92Å; A589-K593 WeakPolarHBondContact O-CD 3.31Å; A589-K593 WeakPolarHBondContact O-CG 3.32Å; A589-K593 PolarHBondContact O-N 3.16Å; A590-K593 WeakPolarHBondContact O-CB 3.48Å; A590-K593 PolarHBondContact O-N 2.98Å; A590-K593 VanDerWaalsContact O-N 3.15Å; E591-K593 VanDerWaalsContact C-N 3.32Å; E591-K593 PolarHBondContact O-N 3.34Å; K593-H597 WeakPolarHBondContact O-CB 3.44Å; K593-H597 PolarHBondContact O-N 3.14Å
594	E	66.5	Low	63.3	Low	92 Å²	92	66 Å²	66	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-70.2	-44.4	176.4	176.9	52.5	-149.9	0	0	111.4	A590 E591 V592 F596 H597 Q598	A590-E594 PolarHBondContact O-N 3.22Å; E591-E594 PolarHBondContact O-N 3.15Å; V592-E594 VanDerWaalsContact C-N 3.32Å; V592-E594 PolarHBondContact O-N 3.27Å; E594-F596 PolarHBondContact O-N 3.1Å; E594-H597 WeakPolarHBondContact O-CA 3.49Å; E594-H597 WeakPolarHBondContact O-CB 3.33Å; E594-H597 PolarHBondContact O-N 3.1Å; E594-Q598 WeakPolarHBondContact O-CG 3.26Å; E594-Q598 PolarHBondContact O-N 3.02Å; E594-Q598 WeakPolarHBondContact OE1-CG 3.45Å; E594-Q598 PolarHBondContact OE1-NE2 2.88Å
595	H	64.3	Low	63.2	Low	52 Å²	52	68 Å²	68	24%	0.241	36%	0.36	C	S	.	.	H	α-helix	trans	-63.7	-40.4	174.2	-68.1	-17.4	0	0	0	112.6	E591 V592 H597 Q598 L599	E591-H595 PolarHBondContact O-N 3.13Å; V592-H595 PolarHBondContact O-N 3.35Å; H595-H597 VanDerWaalsContact C-N 3.26Å; H595-H597 PolarHBondContact O-N 2.81Å; H595-Q598 PolarHBondContact O-N 3.48Å; H595-L599 VanDerWaalsContact O-CB 3.32Å; H595-L599 WeakPolarHBondContact O-CB 3.5Å; H595-L599 PolarHBondContact O-N 2.9Å
596	F	64.7	Low	63.1	Low	5 Å²	5	60.1 Å²	60.1	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-33.9	168.4	-93.3	-84.2	0	0	0	112.4	I473 L580 I583 Q584 V592 E594 K600	I473-F596 HydrophobicContact CD1-CE2 4.05Å; I473-F596 HydrophobicContact CD1-CZ 4.21Å; I473-F596 HydrophobicContact CG1-CE2 4.46Å; I473-F596 HydrophobicContact CG1-CZ 4.46Å; I473-F596 HydrophobicContact CG2-CD2 4.22Å; I473-F596 HydrophobicContact CG2-CE2 3.64Å; I473-F596 HydrophobicContact CG2-CZ 4.19Å; L580-F596 HydrophobicContact CB-CD1 4.26Å; L580-F596 HydrophobicContact CB-CE1 3.97Å; L580-F596 HydrophobicContact CD2-CD1 4.24Å; L580-F596 HydrophobicContact CD2-CE1 3.53Å; L580-F596 HydrophobicContact CD2-CZ 4.33Å; L580-F596 HydrophobicContact CG-CE1 4.37Å; L580-F596 WeakPolarHBondContact O-CE1 3.31Å; I583-F596 HydrophobicContact CB-CE1 4.15Å; I583-F596 HydrophobicContact CB-CZ 3.85Å; I583-F596 HydrophobicContact CG2-CE1 4.34Å; I583-F596 HydrophobicContact CG2-CE2 4.18Å; I583-F596 HydrophobicContact CG2-CZ 3.54Å; Q584-F596 HydrophobicContact CB-CB 4.18Å; Q584-F596 HydrophobicContact CB-CD1 3.97Å; Q584-F596 HydrophobicContact CB-CE1 4.49Å; Q584-F596 HydrophobicContact CB-CG 4.02Å; Q584-F596 HydrophobicContact CG-CB 3.7Å; Q584-F596 HydrophobicContact CG-CD1 4.44Å; Q584-F596 HydrophobicContact CG-CG 4.05Å; V592-F596 HydrophobicContact CG1-CD2 3.58Å; V592-F596 HydrophobicContact CG1-CE2 3.65Å; V592-F596 WeakPolarHBondContact O-CB 3.43Å; V592-F596 WeakPolarHBondContact O-CD2 3.37Å; V592-F596 PolarHBondContact O-N 3.36Å; E594-F596 PolarHBondContact O-N 3.1Å; F596-K600 WeakPolarHBondContact O-CB 3.47Å; F596-K600 PolarHBondContact O-N 3.06Å
597	H	66.8	Low	63.2	Low	88 Å²	88	56.1 Å²	56.1	41%	0.407	30%	0.297	S	S	.	.	H	α-helix	trans	-69.9	-43.9	176.8	-171.6	60.8	0	0	0	111.9	K593 E594 H595 K600 M601	K593-H597 WeakPolarHBondContact O-CB 3.44Å; K593-H597 PolarHBondContact O-N 3.14Å; E594-H597 WeakPolarHBondContact O-CA 3.49Å; E594-H597 WeakPolarHBondContact O-CB 3.33Å; E594-H597 PolarHBondContact O-N 3.1Å; H595-H597 VanDerWaalsContact C-N 3.26Å; H595-H597 PolarHBondContact O-N 2.81Å; H597-K600 WeakPolarHBondContact O-CB 3.43Å; H597-K600 PolarHBondContact O-N 2.89Å; H597-M601 WeakPolarHBondContact O-CG 3.41Å; H597-M601 PolarHBondContact O-N 3.31Å
598	Q	65.2	Low	63.3	Low	74 Å²	74	57.2 Å²	57.2	35%	0.346	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-47	174.7	-66.2	173.1	14.1	0	0	111.6	E594 H595 K600 M601 T602	E594-Q598 WeakPolarHBondContact O-CG 3.26Å; E594-Q598 PolarHBondContact O-N 3.02Å; E594-Q598 WeakPolarHBondContact OE1-CG 3.45Å; E594-Q598 PolarHBondContact OE1-NE2 2.88Å; H595-Q598 PolarHBondContact O-N 3.48Å; Q598-K600 VanDerWaalsContact C-N 3.31Å; Q598-K600 PolarHBondContact O-N 2.95Å; Q598-M601 PolarHBondContact O-N 3.01Å; Q598-T602 PolarHBondContact O-N 3.4Å; Q598-T602 PolarHBondContact O-OG1 2.93Å
599	L	63.7	Low	63.6	Low	9 Å²	9	53 Å²	53	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-42.8	174.9	-177.8	63.2	0	0	0	110.9	F452 F480 L580 H595 T602 I603	F452-L599 HydrophobicContact CE2-CD1 4.08Å; F452-L599 HydrophobicContact CZ-CD1 4.21Å; F452-L599 HydrophobicContact CZ-CD2 4.4Å; F480-L599 HydrophobicContact CB-CD1 3.95Å; F480-L599 HydrophobicContact CD1-CD1 3.67Å; F480-L599 HydrophobicContact CD2-CD1 3.76Å; F480-L599 HydrophobicContact CE1-CD1 4.12Å; F480-L599 HydrophobicContact CE2-CD1 4.18Å; F480-L599 HydrophobicContact CG-CD1 3.5Å; F480-L599 VanDerWaalsContact CG-CD1 3.5Å; F480-L599 HydrophobicContact CZ-CD1 4.36Å; L580-L599 HydrophobicContact CD1-CD2 4.08Å; L580-L599 HydrophobicContact CD2-CD2 4.1Å; H595-L599 VanDerWaalsContact O-CB 3.32Å; H595-L599 WeakPolarHBondContact O-CB 3.5Å; H595-L599 PolarHBondContact O-N 2.9Å; L599-T602 PolarHBondContact O-N 3.4Å; L599-I603 HydrophobicContact CD1-CD1 3.88Å; L599-I603 HydrophobicContact CD1-CG1 4.2Å; L599-I603 HydrophobicContact CD2-CD1 4.44Å; L599-I603 HydrophobicContact CG-CD1 3.78Å; L599-I603 HydrophobicContact CG-CG1 4.43Å; L599-I603 WeakPolarHBondContact O-CG1 3.43Å; L599-I603 PolarHBondContact O-N 2.89Å
600	K	65.2	Low	63.5	Low	68 Å²	68	51.8 Å²	51.8	30%	0.296	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-47.9	176.7	178.4	177.7	179.3	165.4	0	112.7	F577 N581 F596 H597 Q598 T602 I603 Q604	F577-K600 HydrophobicContact CE2-CB 4.26Å; F577-K600 HydrophobicContact CE2-CG 3.55Å; F577-K600 WeakPolarHBondContact CE2-O 3.09Å; F577-K600 HydrophobicContact CZ-CD 4.4Å; F577-K600 HydrophobicContact CZ-CG 3.63Å; N581-K600 WeakPolarHBondContact OD1-CE 3.44Å; N581-K600 PolarHBondContact OD1-NZ 3.11Å; F596-K600 WeakPolarHBondContact O-CB 3.47Å; F596-K600 PolarHBondContact O-N 3.06Å; H597-K600 WeakPolarHBondContact O-CB 3.43Å; H597-K600 PolarHBondContact O-N 2.89Å; Q598-K600 VanDerWaalsContact C-N 3.31Å; Q598-K600 PolarHBondContact O-N 2.95Å; K600-T602 PolarHBondContact O-N 2.92Å; K600-I603 PolarHBondContact O-N 3.11Å; K600-Q604 WeakPolarHBondContact O-CB 3.09Å; K600-Q604 PolarHBondContact O-N 3.29Å
601	M	64.7	Low	63.4	Low	115 Å²	115	53.6 Å²	53.6	57%	0.567	25%	0.253	S	S	*	.	H	α-helix	trans	-60.8	-35.9	176.4	-71.4	-57.6	-63.5	0	0	111.5	H597 Q598 L605	H597-M601 WeakPolarHBondContact O-CG 3.41Å; H597-M601 PolarHBondContact O-N 3.31Å; Q598-M601 PolarHBondContact O-N 3.01Å; M601-L605 PolarHBondContact O-N 3.39Å
602	T	61.2	Low	63.5	Low	30 Å²	30	49.8 Å²	49.8	18%	0.184	23%	0.234	C	C	.	.	H	α-helix	trans	-79.5	-37.8	-178.7	-40.1	0	0	0	0	112.6	F480 L485 Q598 L599 K600 Q604 L605 C606	F480-T602 HydrophobicContact CE1-CG2 3.54Å; F480-T602 HydrophobicContact CZ-CG2 4.04Å; L485-T602 HydrophobicContact CD1-CG2 3.82Å; Q598-T602 PolarHBondContact O-N 3.4Å; Q598-T602 PolarHBondContact O-OG1 2.93Å; L599-T602 PolarHBondContact O-N 3.4Å; K600-T602 PolarHBondContact O-N 2.92Å; T602-Q604 VanDerWaalsContact C-N 3.26Å; T602-Q604 PolarHBondContact O-N 2.87Å; T602-L605 WeakPolarHBondContact O-CA 3.26Å; T602-L605 VanDerWaalsContact O-CB 3.28Å; T602-L605 WeakPolarHBondContact O-CB 3.46Å; T602-L605 PolarHBondContact O-N 2.92Å; T602-L605 VanDerWaalsContact O-N 3.11Å; T602-C606 PolarHBondContact O-N 3.27Å; T602-C606 PolarHBondContact O-SG 2.94Å
603	I	62.2	Low	63.5	Low	3 Å²	3	50.3 Å²	50.3	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-31.8	171.2	-66.2	169.8	0	0	0	111.1	F452 F480 I573 F577 L580 L599 K600 C606 V607	F452-I603 HydrophobicContact CE1-CD1 4.36Å; F452-I603 HydrophobicContact CZ-CD1 3.98Å; F480-I603 HydrophobicContact CE2-CG1 3.84Å; F480-I603 HydrophobicContact CZ-CG1 3.96Å; I573-I603 HydrophobicContact CG2-CG2 3.75Å; F577-I603 HydrophobicContact CB-CG2 4.28Å; F577-I603 HydrophobicContact CD2-CB 3.95Å; F577-I603 HydrophobicContact CD2-CG2 3.58Å; F577-I603 HydrophobicContact CE2-CB 4.34Å; F577-I603 HydrophobicContact CE2-CG2 4.31Å; F577-I603 HydrophobicContact CG-CG2 4.37Å; L580-I603 HydrophobicContact CD1-CD1 3.5Å; L580-I603 VanDerWaalsContact CD1-CD1 3.5Å; L599-I603 HydrophobicContact CD1-CD1 3.88Å; L599-I603 HydrophobicContact CD1-CG1 4.2Å; L599-I603 HydrophobicContact CD2-CD1 4.44Å; L599-I603 HydrophobicContact CG-CD1 3.78Å; L599-I603 HydrophobicContact CG-CG1 4.43Å; L599-I603 WeakPolarHBondContact O-CG1 3.43Å; L599-I603 PolarHBondContact O-N 2.89Å; K600-I603 PolarHBondContact O-N 3.11Å; I603-C606 VanDerWaalsContact O-CB 3.3Å; I603-C606 WeakPolarHBondContact O-CB 3.41Å; I603-C606 PolarHBondContact O-N 3.06Å; I603-V607 WeakPolarHBondContact O-CG2 3.29Å; I603-V607 PolarHBondContact O-N 3.38Å
604	Q	64.8	Low	63.3	Low	71 Å²	71	48.8 Å²	48.8	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-43.9	170.8	-178.9	58.2	51.9	0	0	111.2	K600 T602 C606 V607 D608	K600-Q604 WeakPolarHBondContact O-CB 3.09Å; K600-Q604 PolarHBondContact O-N 3.29Å; T602-Q604 VanDerWaalsContact C-N 3.26Å; T602-Q604 PolarHBondContact O-N 2.87Å; Q604-C606 VanDerWaalsContact C-N 3.3Å; Q604-C606 PolarHBondContact O-N 2.99Å; Q604-V607 WeakPolarHBondContact O-CB 3.44Å; Q604-V607 PolarHBondContact O-N 3.48Å; Q604-V607 VanDerWaalsContact O-N 3.09Å; Q604-D608 VanDerWaalsContact NE2-CG 3.3Å; Q604-D608 PolarHBondContact NE2-OD1 3.32Å; Q604-D608 PolarHBondContact NE2-OD2 2.91Å; Q604-D608 PolarHBondContact O-N 3.43Å
605	L	62.7	Low	63.2	Low	80 Å²	80	47.7 Å²	47.7	42%	0.419	23%	0.233	S	C	.	.	H	α-helix	trans	-57.1	-42.3	171.1	-173	70.9	0	0	0	111.4	M601 T602 V607 D608 V609	M601-L605 PolarHBondContact O-N 3.39Å; T602-L605 WeakPolarHBondContact O-CA 3.26Å; T602-L605 VanDerWaalsContact O-CB 3.28Å; T602-L605 WeakPolarHBondContact O-CB 3.46Å; T602-L605 PolarHBondContact O-N 2.92Å; T602-L605 VanDerWaalsContact O-N 3.11Å; L605-V607 VanDerWaalsContact C-N 3.35Å; L605-V607 PolarHBondContact O-N 3.22Å; L605-D608 PolarHBondContact O-N 3.44Å; L605-V609 HydrophobicContact CD1-CG2 4.44Å; L605-V609 HydrophobicContact CG-CG2 4.29Å; L605-V609 WeakPolarHBondContact O-CB 3.19Å; L605-V609 WeakPolarHBondContact O-CG2 3.38Å; L605-V609 PolarHBondContact O-N 2.87Å
606	C	60.2	Low	63.2	Low	2 Å²	2	46.3 Å²	46.3	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-42	174	-52.2	0	0	0	0	112.5	F488 T602 I603 Q604 D608 S610	F488-C606 HydrophobicContact CD1-CB 4.32Å; F488-C606 VanDerWaalsContact CD2-SG 3.53Å; F488-C606 HydrophobicContact CE1-CB 3.74Å; F488-C606 HydrophobicContact CE2-CB 4.3Å; F488-C606 WeakPolarHBondContact CE2-SG 3.5Å; F488-C606 HydrophobicContact CZ-CB 3.75Å; F488-C606 WeakPolarHBondContact CZ-SG 3.29Å; T602-C606 PolarHBondContact O-N 3.27Å; T602-C606 PolarHBondContact O-SG 2.94Å; I603-C606 VanDerWaalsContact O-CB 3.3Å; I603-C606 WeakPolarHBondContact O-CB 3.41Å; I603-C606 PolarHBondContact O-N 3.06Å; Q604-C606 VanDerWaalsContact C-N 3.3Å; Q604-C606 PolarHBondContact O-N 2.99Å; C606-D608 VanDerWaalsContact C-N 3.31Å; C606-D608 PolarHBondContact O-N 3.28Å; C606-S610 WeakPolarHBondContact O-CB 3.42Å; C606-S610 PolarHBondContact O-N 3.22Å; C606-S610 PolarHBondContact O-OG 3.33Å
607	V	62	Low	63	Low	9 Å²	9	46.7 Å²	46.7	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-34	176.6	171.9	0	0	0	0	111.8	I573 R574 I603 Q604 L605 S610 R611	I573-V607 HydrophobicContact CG2-CG2 3.47Å; I573-V607 VanDerWaalsContact CG2-CG2 3.47Å; R574-V607 HydrophobicContact CG-CG2 4.44Å; I603-V607 WeakPolarHBondContact O-CG2 3.29Å; I603-V607 PolarHBondContact O-N 3.38Å; Q604-V607 WeakPolarHBondContact O-CB 3.44Å; Q604-V607 PolarHBondContact O-N 3.48Å; Q604-V607 VanDerWaalsContact O-N 3.09Å; L605-V607 VanDerWaalsContact C-N 3.35Å; L605-V607 PolarHBondContact O-N 3.22Å; V607-S610 WeakPolarHBondContact CA-OG 3.49Å; V607-S610 PolarHBondContact O-OG 2.78Å; V607-R611 WeakPolarHBondContact O-CB 3.34Å; V607-R611 PolarHBondContact O-N 3.22Å; V607-R611 VanDerWaalsContact O-N 3.14Å
608	D	62.2	Low	62.8	Low	49 Å²	49	46.4 Å²	46.4	26%	0.262	23%	0.227	S	C	.	.	H	α-helix	trans	-83.3	-38.5	-179.1	-64	-37.6	0	0	0	112.5	Q604 L605 C606 R611 K612	Q604-D608 VanDerWaalsContact NE2-CG 3.3Å; Q604-D608 PolarHBondContact NE2-OD1 3.32Å; Q604-D608 PolarHBondContact NE2-OD2 2.91Å; Q604-D608 PolarHBondContact O-N 3.43Å; L605-D608 PolarHBondContact O-N 3.44Å; C606-D608 VanDerWaalsContact C-N 3.31Å; C606-D608 PolarHBondContact O-N 3.28Å; D608-R611 PolarHBondContact O-N 3.43Å; D608-R611 IonicContact OD1-CZ 3.04Å; D608-R611 IonicContact OD1-NH1 2.6Å; D608-R611 PolarHBondContact OD1-NH1 2.79Å; D608-R611 IonicContact OD1-NH2 2.61Å; D608-R611 PolarHBondContact OD1-NH2 2.93Å; D608-K612 WeakPolarHBondContact O-CG 3.32Å; D608-K612 PolarHBondContact O-N 3.03Å
609	V	62.3	Low	62.7	Low	16 Å²	16	45.6 Å²	45.6	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-48.3	169.7	170	0	0	0	0	110.7	L605 R611 K612 L613	L605-V609 HydrophobicContact CD1-CG2 4.44Å; L605-V609 HydrophobicContact CG-CG2 4.29Å; L605-V609 WeakPolarHBondContact O-CB 3.19Å; L605-V609 WeakPolarHBondContact O-CG2 3.38Å; L605-V609 PolarHBondContact O-N 2.87Å; V609-R611 VanDerWaalsContact C-N 3.31Å; V609-R611 PolarHBondContact O-N 3.11Å; V609-K612 WeakPolarHBondContact O-CB 3.25Å; V609-K612 PolarHBondContact O-N 2.71Å; V609-K612 VanDerWaalsContact O-N 3.1Å; V609-L613 HydrophobicContact CG1-CD1 3.96Å; V609-L613 HydrophobicContact CG1-CG 4.36Å; V609-L613 WeakPolarHBondContact O-CG 3.49Å; V609-L613 PolarHBondContact O-N 2.86Å
610	S	61.2	Low	62.5	Low	5 Å²	5	45.4 Å²	45.4	4%	0.035	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-33.7	177.6	57.2	0	0	0	0	112.9	C570 C606 V607 F614	C570-S610 VanDerWaalsContact SG-CB 3.59Å; C570-S610 PolarHBondContact SG-OG 3.36Å; C570-S610 VanDerWaalsContact SG-OG 3.41Å; C606-S610 WeakPolarHBondContact O-CB 3.42Å; C606-S610 PolarHBondContact O-N 3.22Å; C606-S610 PolarHBondContact O-OG 3.33Å; V607-S610 WeakPolarHBondContact CA-OG 3.49Å; V607-S610 PolarHBondContact O-OG 2.78Å; S610-F614 VanDerWaalsContact O-CB 3.31Å; S610-F614 WeakPolarHBondContact O-CB 3.32Å; S610-F614 PolarHBondContact O-N 3.37Å
611	R	62.3	Low	62.2	Low	116 Å²	116	43.4 Å²	43.4	44%	0.438	23%	0.228	S	C	.	.	H	α-helix	trans	-66.8	-40.7	170.4	-159.8	-169.8	-51.1	102.1	4.3	112.2	V607 D608 V609 S615	V607-R611 WeakPolarHBondContact O-CB 3.34Å; V607-R611 PolarHBondContact O-N 3.22Å; V607-R611 VanDerWaalsContact O-N 3.14Å; D608-R611 PolarHBondContact O-N 3.43Å; D608-R611 IonicContact OD1-CZ 3.04Å; D608-R611 IonicContact OD1-NH1 2.6Å; D608-R611 PolarHBondContact OD1-NH1 2.79Å; D608-R611 IonicContact OD1-NH2 2.61Å; D608-R611 PolarHBondContact OD1-NH2 2.93Å; V609-R611 VanDerWaalsContact C-N 3.31Å; V609-R611 PolarHBondContact O-N 3.11Å; R611-S615 PolarHBondContact O-N 3.05Å; R611-S615 VanDerWaalsContact O-N 3.16Å; R611-S615 PolarHBondContact O-OG 3.44Å
612	K	63.5	Low	62.1	Low	73 Å²	73	43.4 Å²	43.4	32%	0.317	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-47.1	173.6	-74.7	179.6	179.8	-177.6	0	111	D514 D608 V609 F614 S615 H616	D514-K612 IonicContact OD1-NZ 2.69Å; D608-K612 WeakPolarHBondContact O-CG 3.32Å; D608-K612 PolarHBondContact O-N 3.03Å; V609-K612 WeakPolarHBondContact O-CB 3.25Å; V609-K612 PolarHBondContact O-N 2.71Å; V609-K612 VanDerWaalsContact O-N 3.1Å; K612-F614 PolarHBondContact O-N 3.39Å; K612-S615 WeakPolarHBondContact O-CB 3.48Å; K612-S615 PolarHBondContact O-N 2.88Å; K612-H616 PolarHBondContact O-N 2.83Å; K612-H616 PolarHBondContact O-ND1 3.28Å
613	L	61.9	Low	62	Low	18 Å²	18	45 Å²	45	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-45.6	176.1	-73	169.8	0	0	0	112.4	F439 M566 V609 S615 H616 M617	F439-L613 HydrophobicContact CD1-CD2 3.57Å; F439-L613 HydrophobicContact CE1-CD2 3.34Å; F439-L613 HydrophobicContact CE2-CD2 4.4Å; F439-L613 HydrophobicContact CG-CD2 4.22Å; F439-L613 HydrophobicContact CZ-CD2 3.8Å; M566-L613 HydrophobicContact CE-CD1 4.47Å; V609-L613 HydrophobicContact CG1-CD1 3.96Å; V609-L613 HydrophobicContact CG1-CG 4.36Å; V609-L613 WeakPolarHBondContact O-CG 3.49Å; V609-L613 PolarHBondContact O-N 2.86Å; L613-S615 VanDerWaalsContact C-N 3.3Å; L613-S615 PolarHBondContact O-N 3.41Å; L613-H616 PolarHBondContact O-N 3.24Å; L613-H616 VanDerWaalsContact O-N 3.12Å; L613-M617 HydrophobicContact CB-CE 4.45Å; L613-M617 PolarHBondContact O-N 3.27Å
614	F	62.8	Low	61.8	Low	50 Å²	50	45.1 Å²	45.1	22%	0.219	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-41.1	176	178.2	-94.5	0	0	0	112.1	P563 F567 S610 K612 Q618	P563-F614 HydrophobicContact CB-CD2 4.11Å; P563-F614 HydrophobicContact CB-CE2 3.73Å; P563-F614 WeakPolarHBondContact O-CE2 3.49Å; F567-F614 HydrophobicContact CB-CE2 4.26Å; S610-F614 VanDerWaalsContact O-CB 3.31Å; S610-F614 WeakPolarHBondContact O-CB 3.32Å; S610-F614 PolarHBondContact O-N 3.37Å; K612-F614 PolarHBondContact O-N 3.39Å; F614-Q618 VanDerWaalsContact CZ-NE2 3.27Å; F614-Q618 WeakPolarHBondContact O-CB 3.26Å; F614-Q618 WeakPolarHBondContact O-CG 3.48Å; F614-Q618 PolarHBondContact O-N 3.29Å; F614-Q618 VanDerWaalsContact O-N 3.09Å
615	S	64	Low	61.3	Low	69 Å²	69	45.4 Å²	45.4	48%	0.483	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-41.2	173.1	-64.3	0	0	0	0	112.9	R611 K612 L613 Q618 S619	R611-S615 PolarHBondContact O-N 3.05Å; R611-S615 VanDerWaalsContact O-N 3.16Å; R611-S615 PolarHBondContact O-OG 3.44Å; K612-S615 WeakPolarHBondContact O-CB 3.48Å; K612-S615 PolarHBondContact O-N 2.88Å; L613-S615 VanDerWaalsContact C-N 3.3Å; L613-S615 PolarHBondContact O-N 3.41Å; S615-Q618 CarbonylContact O-C 3.49Å; S615-Q618 WeakPolarHBondContact O-CA 3.35Å; S615-Q618 WeakPolarHBondContact O-CB 3.47Å; S615-Q618 PolarHBondContact O-N 3.11Å; S615-S619 PolarHBondContact O-N 3.15Å
616	H	62.8	Low	61.1	Low	22 Å²	22	45 Å²	45	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-40.8	178.8	-76.2	73.4	0	0	0	112.6	S521 K612 L613 Q618 S619 A620	S521-H616 WeakPolarHBondContact CB-NE2 3.33Å; S521-H616 PolarHBondContact OG-CE1 2.99Å; S521-H616 VanDerWaalsContact OG-CE1 3.29Å; S521-H616 PolarHBondContact OG-NE2 2.97Å; K612-H616 PolarHBondContact O-N 2.83Å; K612-H616 PolarHBondContact O-ND1 3.28Å; L613-H616 PolarHBondContact O-N 3.24Å; L613-H616 VanDerWaalsContact O-N 3.12Å; H616-Q618 PolarHBondContact O-N 3.24Å; H616-S619 WeakPolarHBondContact CA-OG 3.49Å; H616-S619 PolarHBondContact O-N 3.48Å; H616-S619 VanDerWaalsContact O-N 3.15Å; H616-S619 PolarHBondContact O-OG 3.1Å; H616-A620 WeakPolarHBondContact O-CB 3.26Å; H616-A620 PolarHBondContact O-N 3.25Å
617	M	61.1	Low	61.1	Low	14 Å²	14	45.3 Å²	45.3	7%	0.069	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-31.5	171.8	-71.6	-179.2	-74.3	0	0	111.9	V435 F439 A562 M566 L613 G621	V435-M617 HydrophobicContact CG1-SD 4.3Å; F439-M617 HydrophobicContact CE2-CG 3.88Å; F439-M617 HydrophobicContact CE2-SD 4.43Å; A562-M617 HydrophobicContact CB-SD 3.89Å; M566-M617 HydrophobicContact CB-CE 4.11Å; M566-M617 HydrophobicContact CG-CE 3.49Å; M566-M617 VanDerWaalsContact CG-CE 3.49Å; L613-M617 HydrophobicContact CB-CE 4.45Å; L613-M617 PolarHBondContact O-N 3.27Å; M617-G621 PolarHBondContact O-N 3.43Å
618	Q	62.1	Low	60.8	Low	82 Å²	82	46.4 Å²	46.4	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-73.4	-22.4	172.2	-83.3	-153.7	32.4	0	0	114.6	F614 S615 H616 K622	F614-Q618 VanDerWaalsContact CZ-NE2 3.27Å; F614-Q618 WeakPolarHBondContact O-CB 3.26Å; F614-Q618 WeakPolarHBondContact O-CG 3.48Å; F614-Q618 PolarHBondContact O-N 3.29Å; F614-Q618 VanDerWaalsContact O-N 3.09Å; S615-Q618 CarbonylContact O-C 3.49Å; S615-Q618 WeakPolarHBondContact O-CA 3.35Å; S615-Q618 WeakPolarHBondContact O-CB 3.47Å; S615-Q618 PolarHBondContact O-N 3.11Å; H616-Q618 PolarHBondContact O-N 3.24Å; Q618-K622 WeakPolarHBondContact O-CD 3.27Å; Q618-K622 WeakPolarHBondContact O-CE 3.48Å; Q618-K622 VanDerWaalsContact O-CG 3.25Å; Q618-K622 WeakPolarHBondContact O-CG 3.03Å; Q618-K622 PolarHBondContact O-NZ 3.45Å
619	S	64.7	Low	60.5	Low	56 Å²	56	48.4 Å²	48.4	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-82.9	-51.2	169.9	50.7	0	0	0	0	110.4	S615 H616 G621 K622 E623	S615-S619 PolarHBondContact O-N 3.15Å; H616-S619 WeakPolarHBondContact CA-OG 3.49Å; H616-S619 PolarHBondContact O-N 3.48Å; H616-S619 VanDerWaalsContact O-N 3.15Å; H616-S619 PolarHBondContact O-OG 3.1Å; S619-G621 VanDerWaalsContact C-N 3.28Å; S619-G621 PolarHBondContact O-N 3.02Å; S619-K622 WeakPolarHBondContact O-CA 3.29Å; S619-K622 WeakPolarHBondContact O-CB 3.41Å; S619-K622 PolarHBondContact O-N 3.29Å; S619-E623 PolarHBondContact O-N 2.64Å
620	A	59.1	Low	60.4	Low	6 Å²	6	53.5 Å²	53.5	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-54.9	-40.9	177.4	0	0	0	0	0	112.7	M438 V525 H616 K622 E623 E624	M438-A620 HydrophobicContact SD-CB 4.39Å; V525-A620 HydrophobicContact CG1-CB 3.91Å; H616-A620 WeakPolarHBondContact O-CB 3.26Å; H616-A620 PolarHBondContact O-N 3.25Å; A620-K622 VanDerWaalsContact C-N 3.29Å; A620-K622 PolarHBondContact O-N 3.43Å; A620-E623 PolarHBondContact O-N 3.46Å; A620-E624 WeakPolarHBondContact O-CB 3.23Å; A620-E624 PolarHBondContact O-N 2.69Å
621	G	58.7	Low	60.1	Low	26 Å²	26	54.9 Å²	54.9	27%	0.268	28%	0.279	S	S	.	.	H	α-helix	trans	-68.1	-21.9	175.9	0	0	0	0	0	114.8	M617 S619 M625	M617-G621 PolarHBondContact O-N 3.43Å; S619-G621 VanDerWaalsContact C-N 3.28Å; S619-G621 PolarHBondContact O-N 3.02Å; G621-M625 WeakPolarHBondContact O-CB 3.45Å
622	K	61.8	Low	59.6	Low	114 Å²	114	51.5 Å²	51.5	50%	0.496	27%	0.273	S	S	.	.	H	α-helix	trans	-81.6	-39.4	170.3	-66.2	166.1	-169.9	123.7	0	110.7	Q618 S619 A620 M625 T626	Q618-K622 WeakPolarHBondContact O-CD 3.27Å; Q618-K622 WeakPolarHBondContact O-CE 3.48Å; Q618-K622 VanDerWaalsContact O-CG 3.25Å; Q618-K622 WeakPolarHBondContact O-CG 3.03Å; Q618-K622 PolarHBondContact O-NZ 3.45Å; S619-K622 WeakPolarHBondContact O-CA 3.29Å; S619-K622 WeakPolarHBondContact O-CB 3.41Å; S619-K622 PolarHBondContact O-N 3.29Å; A620-K622 VanDerWaalsContact C-N 3.29Å; A620-K622 PolarHBondContact O-N 3.43Å; K622-M625 WeakPolarHBondContact O-CB 3.34Å; K622-M625 PolarHBondContact O-N 2.72Å; K622-T626 PolarHBondContact O-N 3.41Å; K622-T626 PolarHBondContact O-OG1 2.95Å
623	E	59.9	Low	58.8	Low	65 Å²	65	51.6 Å²	51.6	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-75.6	-38.9	-176.9	-167.7	163.1	-177.8	0	0	113.2	L529 R533 S619 A620 M625 T626 I627	L529-E623 HydrophobicContact CD1-CB 4.05Å; L529-E623 HydrophobicContact CD1-CG 3.92Å; R533-E623 IonicContact CZ-OE1 2.76Å; R533-E623 IonicContact NH1-OE1 2.66Å; R533-E623 IonicContact NH2-OE1 2.81Å; R533-E623 PolarHBondContact NH2-OE1 3.13Å; S619-E623 PolarHBondContact O-N 2.64Å; A620-E623 PolarHBondContact O-N 3.46Å; E623-M625 PolarHBondContact O-N 2.9Å; E623-T626 VanDerWaalsContact CA-OG1 3.31Å; E623-T626 WeakPolarHBondContact CA-OG1 3.37Å; E623-T626 PolarHBondContact O-N 3.18Å; E623-T626 PolarHBondContact O-OG1 3.21Å; E623-I627 WeakPolarHBondContact O-CG1 3.33Å; E623-I627 PolarHBondContact O-N 3.4Å
624	E	58	Low	58.2	Low	4 Å²	4	54.1 Å²	54.1	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-35.5	167.4	-172.8	178.4	-120.7	0	0	110.4	K532 L552 A620 I627 I628	K532-E624 IonicContact NZ-OE1 2.73Å; K532-E624 PolarHBondContact NZ-OE1 2.93Å; L552-E624 HydrophobicContact CD1-CG 4.36Å; A620-E624 WeakPolarHBondContact O-CB 3.23Å; A620-E624 PolarHBondContact O-N 2.69Å; E624-I627 PolarHBondContact O-N 2.9Å; E624-I628 HydrophobicContact CG-CD1 4.05Å; E624-I628 WeakPolarHBondContact O-CB 3.43Å; E624-I628 WeakPolarHBondContact O-CD1 3.41Å; E624-I628 WeakPolarHBondContact O-CG1 3.4Å; E624-I628 PolarHBondContact O-N 3.35Å
625	M	54.5	Low	57.3	Low	78 Å²	78	56.1 Å²	56.1	38%	0.384	32%	0.319	S	S	.	.	H	α-helix	trans	-69.3	-38.1	175.7	-169.3	168.1	-178.2	0	0	112.8	G621 K622 E623 I628 E629	G621-M625 WeakPolarHBondContact O-CB 3.45Å; K622-M625 WeakPolarHBondContact O-CB 3.34Å; K622-M625 PolarHBondContact O-N 2.72Å; E623-M625 PolarHBondContact O-N 2.9Å; M625-I628 PolarHBondContact O-N 3.41Å; M625-E629 WeakPolarHBondContact O-CG 3.42Å; M625-E629 PolarHBondContact O-N 3.4Å
626	T	58.9	Low	56.2	Low	71 Å²	71	58.5 Å²	58.5	44%	0.436	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-40.2	171.6	42	0	0	0	0	112.1	K622 E623 I628 E629 E630	K622-T626 PolarHBondContact O-N 3.41Å; K622-T626 PolarHBondContact O-OG1 2.95Å; E623-T626 VanDerWaalsContact CA-OG1 3.31Å; E623-T626 WeakPolarHBondContact CA-OG1 3.37Å; E623-T626 PolarHBondContact O-N 3.18Å; E623-T626 PolarHBondContact O-OG1 3.21Å; T626-I628 VanDerWaalsContact C-N 3.33Å; T626-I628 PolarHBondContact O-N 2.69Å; T626-E629 PolarHBondContact O-N 3.25Å; T626-E630 WeakPolarHBondContact O-CB 3.25Å; T626-E630 WeakPolarHBondContact O-CG 3.5Å; T626-E630 PolarHBondContact O-N 3.15Å
627	I	59.8	Low	55.3	Low	9 Å²	9	63.4 Å²	63.4	5%	0.046	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-41.6	174.3	-66	167.3	0	0	0	110.6	L529 R533 F536 E623 E624 E630 V631	L529-I627 HydrophobicContact CB-CD1 4.49Å; L529-I627 HydrophobicContact CD2-CD1 4.02Å; R533-I627 HydrophobicContact CG-CD1 4.17Å; F536-I627 HydrophobicContact CD2-CG2 4.49Å; F536-I627 HydrophobicContact CE2-CG2 4.37Å; E623-I627 WeakPolarHBondContact O-CG1 3.33Å; E623-I627 PolarHBondContact O-N 3.4Å; E624-I627 PolarHBondContact O-N 2.9Å; I627-E630 PolarHBondContact O-N 2.95Å; I627-V631 HydrophobicContact CG2-CG2 4.39Å; I627-V631 WeakPolarHBondContact O-CB 3.39Å; I627-V631 VanDerWaalsContact O-CG2 3.27Å; I627-V631 WeakPolarHBondContact O-CG2 3.46Å; I627-V631 PolarHBondContact O-N 3.25Å
628	I	54.8	Low	54.1	Low	31 Å²	31	65.5 Å²	65.5	16%	0.159	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-45.5	173.4	-71.1	161.9	0	0	0	111.1	L552 H556 E624 M625 T626 C632	L552-I628 HydrophobicContact CD2-CD1 4.32Å; L552-I628 HydrophobicContact CD2-CG1 3.54Å; L552-I628 HydrophobicContact CG-CD1 4.07Å; L552-I628 HydrophobicContact CG-CG1 3.85Å; H556-I628 HydrophobicContact CB-CD1 4.14Å; E624-I628 HydrophobicContact CG-CD1 4.05Å; E624-I628 WeakPolarHBondContact O-CB 3.43Å; E624-I628 WeakPolarHBondContact O-CD1 3.41Å; E624-I628 WeakPolarHBondContact O-CG1 3.4Å; E624-I628 PolarHBondContact O-N 3.35Å; M625-I628 PolarHBondContact O-N 3.41Å; T626-I628 VanDerWaalsContact C-N 3.33Å; T626-I628 PolarHBondContact O-N 2.69Å; I628-C632 WeakPolarHBondContact O-CB 3.42Å; I628-C632 PolarHBondContact O-N 3.24Å; I628-C632 PolarHBondContact O-SG 3.47Å
629	E	55.6	Low	52.8	Low	92 Å²	92	63.5 Å²	63.5	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-69.7	-36.1	-179.7	-72.1	-159.3	149.5	0	0	112.6	M625 T626 S633	M625-E629 WeakPolarHBondContact O-CG 3.42Å; M625-E629 PolarHBondContact O-N 3.4Å; T626-E629 PolarHBondContact O-N 3.25Å; E629-S633 WeakPolarHBondContact O-CB 3.46Å; E629-S633 PolarHBondContact O-N 2.89Å; E629-S633 PolarHBondContact O-OG 3.33Å
630	E	59.9	Low	51.4	Low	123 Å²	123	64.3 Å²	64.3	58%	0.575	39%	0.394	S	S	*	.	H	α-helix	trans	-65	-51.4	173.5	-75.1	178.1	161.7	0	0	111.7	T626 I627 C632 S633 A634	T626-E630 WeakPolarHBondContact O-CB 3.25Å; T626-E630 WeakPolarHBondContact O-CG 3.5Å; T626-E630 PolarHBondContact O-N 3.15Å; I627-E630 PolarHBondContact O-N 2.95Å; E630-C632 VanDerWaalsContact C-N 3.26Å; E630-C632 PolarHBondContact O-N 2.84Å; E630-S633 PolarHBondContact O-N 3.27Å; E630-S633 VanDerWaalsContact O-N 3.07Å; E630-A634 WeakPolarHBondContact O-CB 3.25Å; E630-A634 PolarHBondContact O-N 3.35Å
631	V	56.2	Low	50.3	Low	33 Å²	33	71.2 Å²	71.2	20%	0.2	43%	0.429	C	S	.	.	H	α-helix	trans	-61.3	-34.9	177.5	171.4	0	0	0	0	111.5	F536 I627 N635	F536-V631 HydrophobicContact CG-CG2 4.48Å; I627-V631 HydrophobicContact CG2-CG2 4.39Å; I627-V631 WeakPolarHBondContact O-CB 3.39Å; I627-V631 VanDerWaalsContact O-CG2 3.27Å; I627-V631 WeakPolarHBondContact O-CG2 3.46Å; I627-V631 PolarHBondContact O-N 3.25Å; V631-N635 PolarHBondContact O-ND2 3.5Å
632	C	50.4	Low	49.1	Very low	46 Å²	46	77.7 Å²	77.7	31%	0.311	45%	0.45	S	S	.	.	H	α-helix	trans	-69.8	-44.8	171.4	-68.4	0	0	0	0	112.1	I628 E630 N635 I636	I628-C632 WeakPolarHBondContact O-CB 3.42Å; I628-C632 PolarHBondContact O-N 3.24Å; I628-C632 PolarHBondContact O-SG 3.47Å; E630-C632 VanDerWaalsContact C-N 3.26Å; E630-C632 PolarHBondContact O-N 2.84Å; C632-N635 PolarHBondContact O-N 2.96Å; C632-I636 WeakPolarHBondContact O-CG1 3.45Å; C632-I636 PolarHBondContact O-N 3.23Å
633	S	47.7	Very low	47.8	Very low	74 Å²	74	76.3 Å²	76.3	52%	0.517	46%	0.455	S	S	.	.	H	α-helix	trans	-66.9	-42.3	-174.7	-62.2	0	0	0	0	112.6	E629 E630 N635 I636	E629-S633 WeakPolarHBondContact O-CB 3.46Å; E629-S633 PolarHBondContact O-N 2.89Å; E629-S633 PolarHBondContact O-OG 3.33Å; E630-S633 PolarHBondContact O-N 3.27Å; E630-S633 VanDerWaalsContact O-N 3.07Å; S633-N635 PolarHBondContact O-N 3.42Å; S633-I636 PolarHBondContact O-N 2.99Å
634	A	49.1	Very low	46.4	Very low	72 Å²	72	76.6 Å²	76.6	60%	0.595	47%	0.469	S	S	*	.	H	α-helix	trans	-63.5	-22.9	179.2	0	0	0	0	0	113.7	E630 T637	E630-A634 WeakPolarHBondContact O-CB 3.25Å; E630-A634 PolarHBondContact O-N 3.35Å; A634-T637 PolarHBondContact O-OG1 3.45Å
635	N	43.6	Very low	45.3	Very low	92 Å²	92	83.7 Å²	83.7	49%	0.492	50%	0.502	S	S	.	.	H	α-helix	trans	-95.1	-21.5	-179.4	-78.1	-73.4	0	0	0	113.8	V631 C632 S633 T637 G638 G639	V631-N635 PolarHBondContact O-ND2 3.5Å; C632-N635 PolarHBondContact O-N 2.96Å; S633-N635 PolarHBondContact O-N 3.42Å; N635-T637 VanDerWaalsContact C-N 3.29Å; N635-T637 PolarHBondContact O-N 3.25Å; N635-G638 PolarHBondContact O-N 3.27Å; N635-G638 VanDerWaalsContact O-N 3.14Å; N635-G639 PolarHBondContact O-N 3.1Å
636	I	41.6	Very low	44.3	Very low	118 Å²	118	86.8 Å²	86.8	61%	0.605	52%	0.519	S	S	*	.	H	α-helix	trans	-65.8	-32.3	179.5	-74	163.5	0	0	0	111.7	C632 S633 G638	C632-I636 WeakPolarHBondContact O-CG1 3.45Å; C632-I636 PolarHBondContact O-N 3.23Å; S633-I636 PolarHBondContact O-N 2.99Å; I636-G638 VanDerWaalsContact C-N 3.29Å; I636-G638 PolarHBondContact O-N 3.11Å
637	T	43.2	Very low	43.1	Very low	125 Å²	125	90.8 Å²	90.8	77%	0.767	54%	0.537	S	S	*	.	H	α-helix	trans	-69.3	-20.4	174.2	41.1	0	0	0	0	114.1	A634 N635	A634-T637 PolarHBondContact O-OG1 3.45Å; N635-T637 VanDerWaalsContact C-N 3.29Å; N635-T637 PolarHBondContact O-N 3.25Å
638	G	37.5	Very low	41.9	Very low	59 Å²	59	99 Å²	99	61%	0.608	58%	0.575	S	S	*	*	H	α-helix	trans	-96.5	-41	176.6	0	0	0	0	0	114.2	N635 I636	N635-G638 PolarHBondContact O-N 3.27Å; N635-G638 VanDerWaalsContact O-N 3.14Å; I636-G638 VanDerWaalsContact C-N 3.29Å; I636-G638 PolarHBondContact O-N 3.11Å
639	G	34.8	Very low	40.7	Very low	40 Å²	40	101.6 Å²	101.6	41%	0.412	60%	0.596	S	S	.	*	H	α-helix	trans	-78.3	-18.1	-171.6	0	0	0	0	0	116.1	N635 L641 F642	N635-G639 PolarHBondContact O-N 3.1Å; G639-L641 PolarHBondContact O-N 3.13Å; G639-L641 VanDerWaalsContact O-N 3.09Å; G639-F642 PolarHBondContact O-N 3.5Å
640	A	34.6	Very low	39.6	Very low	72 Å²	72	105.4 Å²	105.4	60%	0.595	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-19.8	-166.2	0	0	0	0	0	115.8
641	L	36.2	Very low	38.1	Very low	152 Å²	152	104.7 Å²	104.7	80%	0.796	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-21.3	-178.1	-77.4	168.6	0	0	0	114.7	G639	G639-L641 PolarHBondContact O-N 3.13Å; G639-L641 VanDerWaalsContact O-N 3.09Å
642	F	33	Very low	36.9	Very low	161 Å²	161	111.5 Å²	111.5	71%	0.706	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-34.3	-173.8	-94	-87.5	0	0	0	114.4	G639 A644 Q645	G639-F642 PolarHBondContact O-N 3.5Å; F642-A644 PolarHBondContact O-N 3.11Å; F642-Q645 PolarHBondContact O-N 3.19Å
643	S	34.1	Very low	36	Very low	85 Å²	85	117.4 Å²	117.4	59%	0.594	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-18.3	-175.9	-55.7	0	0	0	0	114.3
644	A	31.2	Very low	35.2	Very low	72 Å²	72	122.1 Å²	122.1	60%	0.595	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-24	-178.1	0	0	0	0	0	114	F642	F642-A644 PolarHBondContact O-N 3.11Å
645	Q	35.8	Very low	34.5	Very low	152 Å²	152	124.7 Å²	124.7	71%	0.71	71%	0.707	S	S	*	*	S	Bend	trans	-87.6	-12.1	-177	-70.9	-176	-28.1	0	0	114	F642	F642-Q645 PolarHBondContact O-N 3.19Å
646	L	33.3	Very low	34	Very low	143 Å²	143	128.8 Å²	128.8	75%	0.749	72%	0.723	S	S	*	*	S	Bend	trans	-96.3	1.7	-172.5	-106.4	153.6	0	0	0	114.8
647	L	33.1	Very low	33.4	Very low	156 Å²	156	131.4 Å²	131.4	82%	0.817	73%	0.733	S	S	*	*	S	Bend	trans	-111.3	9.9	-176.1	-75.3	167.7	0	0	0	114.3
648	Q	35.1	Very low	33	Very low	182 Å²	182	133.9 Å²	133.9	85%	0.85	74%	0.738	S	S	*	*	S	Bend	trans	-106.6	10.3	-179.1	-70.7	-168.8	-29.6	0	0	114.7
649	S	29.3	Very low	32.7	Very low	84 Å²	84	135.9 Å²	135.9	59%	0.587	74%	0.743	S	S	*	*			trans	-139.3	87.1	-175.2	60.5	0	0	0	0	113.1
650	N	31.2	Very low	32.5	Very low	172 Å²	172	142.2 Å²	142.2	92%	0.92	77%	0.766	S	S	*	*			trans	179.5	103.4	144.3	-93.4	-26.3	0	0	0	110.1
651	S	29.2	Very low	32.3	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	77%	0.771	S	S	*	*			trans	-143.5	101.3	178	56.6	0	0	0	0	110.6
652	H	30.3	Very low	32.1	Very low	176 Å²	176	147 Å²	147	82%	0.815	77%	0.774	S	S	*	*			trans	172.6	124.1	151.3	-100.9	-66	0	0	0	109.9
653	L	31.7	Very low	31.9	Very low	170 Å²	170	146.6 Å²	146.6	89%	0.89	78%	0.778	S	S	*	*			trans	179.1	102.7	133.1	-101	162.2	0	0	0	109.1
654	E	30.9	Very low	31.8	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	79%	0.79	S	S	*	*			trans	-102.2	138.3	170.6	-64	168.2	119.5	0	0	109
655	V	35.5	Very low	31.8	Very low	127 Å²	127	154.1 Å²	154.1	77%	0.77	80%	0.803	S	S	*	*			trans	-148.1	85.4	158.2	-177	0	0	0	0	104.9
656	E	32.2	Very low	31.9	Very low	178 Å²	178	152.2 Å²	152.2	83%	0.832	80%	0.804	S	S	*	*				76.2	129.3	97.6	-82	-163.9	134.8	0	0	114.9
657	E	30.4	Very low	31.9	Very low	173 Å²	173	152 Å²	152	81%	0.808	81%	0.809	S	S	*	*			trans	-80.5	160.3	176.2	-51.7	175	106	0	0	111.5
658	M	33.2	Very low	31.8	Very low	176 Å²	176	151.9 Å²	151.9	87%	0.867	81%	0.809	S	S	*	*				-160.3	111.6	127.8	-116.4	170.5	-75.8	0	0	114.7
659	S	31.1	Very low	31.7	Very low	102 Å²	102	150.3 Å²	150.3	71%	0.713	81%	0.812	S	S	*	*			trans	-16.9	141.9	152.4	-60	0	0	0	0	118.5
660	L	32	Very low	31.8	Very low	172 Å²	172	150.2 Å²	150.2	90%	0.901	82%	0.816	S	S	*	*				-160.6	123.7	125.4	-110.7	168.8	0	0	0	112.4
661	S	29.6	Very low	31.7	Very low	101 Å²	101	147.3 Å²	147.3	71%	0.706	81%	0.809	S	S	*	*			trans	-95.6	162.9	175.3	18.3	0	0	0	0	111.9
662	R	31.6	Very low	31.8	Very low	225 Å²	225	148.2 Å²	148.2	85%	0.849	82%	0.816	S	S	*	*				170.7	137.4	129.3	-90.6	160.9	-170	-145	1.6	114.9
663	L	28.5	Very low	31.8	Very low	151 Å²	151	145.5 Å²	145.5	79%	0.791	82%	0.816	S	S	*	*			trans	43.9	114.2	146.6	-77.2	78.5	0	0	0	120.3
664	C	32.7	Very low	31.8	Very low	127 Å²	127	141.6 Å²	141.6	86%	0.858	80%	0.804	S	S	*	*				-178.7	169.5	86.7	-107.3	0	0	0	0	112.5
665	H	30.6	Very low	32.1	Very low	188 Å²	188	139.8 Å²	139.8	87%	0.87	81%	0.806	S	S	*	*			trans	-113.1	172.8	-169	-108	-17.1	0	0	0	113.8
666	P	37.8	Very low	32	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	81%	0.805	S	S	*	*			trans	-93.8	174.2	-150	38.3	-39.3	0	0	0	115.6
667	T	34.5	Very low	32.4	Very low	140 Å²	140	138.6 Å²	138.6	86%	0.859	79%	0.792	S	S	*	*			trans	-155.6	146.9	158.6	-32	0	0	0	0	110.8
668	D	29.7	Very low	33.1	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	79%	0.79	S	S	*	*			trans	-73.7	142.7	-178.9	-53	-92.2	0	0	0	114.4
669	V	34.8	Very low	33.6	Very low	148 Å²	148	136.5 Å²	136.5	90%	0.897	79%	0.789	S	S	*	*			trans	-141.3	130.5	145.2	-176.3	0	0	0	0	108.5
670	A	30.6	Very low	34.3	Very low	82 Å²	82	132.7 Å²	132.7	68%	0.678	76%	0.763	S	S	*	*			trans	-88	151	-176.5	0	0	0	0	0	113.9
671	S	29.8	Very low	35.5	Very low	112 Å²	112	128.4 Å²	128.4	78%	0.783	75%	0.748	S	S	*	*			trans	22.3	111.9	148.9	60.1	0	0	0	0	119.9
672	S	31.4	Very low	37	Very low	128 Å²	128	126.4 Å²	126.4	90%	0.895	74%	0.737	S	S	*	*			trans	-165.3	160.1	130.7	48.3	0	0	0	0	112.1
673	S	30	Very low	38.6	Very low	118 Å²	118	118.4 Å²	118.4	83%	0.825	72%	0.719	S	S	*	*			trans	-95.4	123.1	-173.5	52.7	0	0	0	0	113.3
674	S	31.9	Very low	40.7	Very low	89 Å²	89	112.5 Å²	112.5	62%	0.622	70%	0.695	S	S	*	*			trans	-168.2	123.5	156.8	-174.5	0	0	0	0	113	F676	S674-F676 PolarHBondContact O-N 3.12Å; S674-F676 VanDerWaalsContact O-N 3.16Å
675	P	37.1	Very low	42.3	Very low	133 Å²	133	112.4 Å²	112.4	86%	0.864	68%	0.676	S	S	*	*			trans	-85.8	70.2	173.6	34.9	-34.3	0	0	0	112
676	F	32.3	Very low	44.2	Very low	167 Å²	167	108.2 Å²	108.2	73%	0.732	66%	0.659	S	S	*	*			trans	-110.6	69.1	-177.2	-130.2	-83.6	0	0	0	113.6	S674	S674-F676 PolarHBondContact O-N 3.12Å; S674-F676 VanDerWaalsContact O-N 3.16Å
677	M	41.3	Very low	45.9	Very low	114 Å²	114	109.4 Å²	109.4	56%	0.562	66%	0.655	S	S	*	*			trans	-108.7	16.6	-173.6	-86.6	-72.5	-77.9	0	0	115.7	N679 A680	M677-N679 VanDerWaalsContact C-N 3.3Å; M677-N679 PolarHBondContact O-N 3.2Å; M677-A680 HydrophobicContact CE-CB 3.62Å; M677-A680 PolarHBondContact O-N 3.15Å; M677-A680 HydrophobicContact SD-CB 3.99Å
678	L	44.1	Very low	47.7	Very low	146 Å²	146	108.5 Å²	108.5	76%	0.764	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-28.6	179.2	-78.9	167.6	0	0	0	113.9
679	N	45.2	Very low	49.9	Very low	159 Å²	159	106.2 Å²	106.2	85%	0.85	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	7.8	-177.9	-70.9	-8.8	0	0	0	114.4	M677 S681	M677-N679 VanDerWaalsContact C-N 3.3Å; M677-N679 PolarHBondContact O-N 3.2Å; N679-S681 PolarHBondContact O-N 2.96Å
680	A	44	Very low	52.1	Low	21 Å²	21	104.3 Å²	104.3	17%	0.174	61%	0.613	C	S	.	*			trans	-67.9	127.3	177.8	0	0	0	0	0	111.8	M677 R685	M677-A680 HydrophobicContact CE-CB 3.62Å; M677-A680 PolarHBondContact O-N 3.15Å; M677-A680 HydrophobicContact SD-CB 3.99Å; A680-R685 HydrophobicContact CB-CG 4.09Å; A680-R685 PolarHBondContact O-NH1 2.93Å
681	S	57.4	Low	54.5	Low	83 Å²	83	103.4 Å²	103.4	58%	0.58	61%	0.605	S	S	*	*			trans	-51.8	148.4	169.7	172.6	0	0	0	0	111.2	N679 A683 G684 R685	N679-S681 PolarHBondContact O-N 2.96Å; S681-A683 PolarHBondContact O-N 2.96Å; S681-A683 VanDerWaalsContact O-N 3.17Å; S681-A683 PolarHBondContact OG-N 3.34Å; S681-G684 WeakPolarHBondContact O-CA 3.25Å; S681-G684 PolarHBondContact O-N 3.13Å; S681-R685 PolarHBondContact O-N 2.94Å
682	A	62.6	Low	56.9	Low	58 Å²	58	101 Å²	101	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-54.2	-35.1	175.1	0	0	0	0	0	112.3	R685 I686	A682-R685 PolarHBondContact O-N 3.36Å; A682-I686 VanDerWaalsContact O-CG1 3.31Å; A682-I686 WeakPolarHBondContact O-CG1 3.45Å; A682-I686 PolarHBondContact O-N 3.25Å
683	A	64.9	Low	59.3	Low	57 Å²	57	100 Å²	100	47%	0.471	57%	0.573	S	S	.	*	H	α-helix	trans	-63.2	-42.9	174	0	0	0	0	0	112.5	S681 I686 Q687	S681-A683 PolarHBondContact O-N 2.96Å; S681-A683 VanDerWaalsContact O-N 3.17Å; S681-A683 PolarHBondContact OG-N 3.34Å; A683-I686 PolarHBondContact O-N 3.11Å; A683-Q687 WeakPolarHBondContact O-CG 3.47Å; A683-Q687 PolarHBondContact O-N 3.12Å
684	G	72.1	Confident	62	Low	27 Å²	27	100.2 Å²	100.2	28%	0.278	56%	0.561	S	S	.	*	H	α-helix	trans	-66.3	-36.5	176.5	0	0	0	0	0	112.7	S681 Q687 H688	S681-G684 WeakPolarHBondContact O-CA 3.25Å; S681-G684 PolarHBondContact O-N 3.13Å; G684-Q687 PolarHBondContact O-N 2.91Å; G684-H688 WeakPolarHBondContact O-CB 3.46Å; G684-H688 PolarHBondContact O-N 3.22Å
685	R	65.4	Low	64.5	Low	126 Å²	126	102.1 Å²	102.1	48%	0.475	56%	0.558	S	S	.	*	H	α-helix	trans	-64.9	-39.3	171.8	-69.1	-165.3	-74.2	-109.7	2.5	112.2	A680 S681 A682 L689	A680-R685 HydrophobicContact CB-CG 4.09Å; A680-R685 PolarHBondContact O-NH1 2.93Å; S681-R685 PolarHBondContact O-N 2.94Å; A682-R685 PolarHBondContact O-N 3.36Å; R685-L689 WeakPolarHBondContact O-CG 3.35Å; R685-L689 PolarHBondContact O-N 3.13Å
686	I	70.6	Confident	66.5	Low	99 Å²	99	99.4 Å²	99.4	51%	0.508	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-45.3	174.9	-69.2	163.9	0	0	0	111	A682 A683 H688 L689 L690	A682-I686 VanDerWaalsContact O-CG1 3.31Å; A682-I686 WeakPolarHBondContact O-CG1 3.45Å; A682-I686 PolarHBondContact O-N 3.25Å; A683-I686 PolarHBondContact O-N 3.11Å; I686-H688 PolarHBondContact O-N 3.38Å; I686-L689 PolarHBondContact O-N 3.16Å; I686-L690 HydrophobicContact CG2-CD1 3.98Å; I686-L690 HydrophobicContact CG2-CG 4.41Å; I686-L690 WeakPolarHBondContact O-CG 3.5Å; I686-L690 PolarHBondContact O-N 2.96Å
687	Q	73.9	Confident	68.8	Low	138 Å²	138	94.5 Å²	94.5	65%	0.645	53%	0.528	S	S	*	.	H	α-helix	trans	-60.7	-42	176.2	-75.7	178.3	-41.9	0	0	112.3	A683 G684 L689 L690 A691	A683-Q687 WeakPolarHBondContact O-CG 3.47Å; A683-Q687 PolarHBondContact O-N 3.12Å; G684-Q687 PolarHBondContact O-N 2.91Å; Q687-L689 PolarHBondContact O-N 3.06Å; Q687-L690 PolarHBondContact O-N 3.32Å; Q687-A691 WeakPolarHBondContact O-CB 3.3Å; Q687-A691 PolarHBondContact O-N 3.43Å
688	H	73.7	Confident	70.8	Confident	120 Å²	120	93.7 Å²	93.7	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-63.1	-39.7	174.8	-172.2	-57.1	0	0	0	112.2	G684 I686 S692	G684-H688 WeakPolarHBondContact O-CB 3.46Å; G684-H688 PolarHBondContact O-N 3.22Å; I686-H688 PolarHBondContact O-N 3.38Å; H688-S692 VanDerWaalsContact O-CB 3.26Å; H688-S692 WeakPolarHBondContact O-CB 3.42Å; H688-S692 PolarHBondContact O-N 2.94Å
689	L	75.1	Confident	72.7	Confident	105 Å²	105	92.6 Å²	92.6	55%	0.55	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-40.7	176.2	-74.7	167.7	0	0	0	112.1	R685 I686 Q687 S692 N693	R685-L689 WeakPolarHBondContact O-CG 3.35Å; R685-L689 PolarHBondContact O-N 3.13Å; I686-L689 PolarHBondContact O-N 3.16Å; Q687-L689 PolarHBondContact O-N 3.06Å; L689-S692 PolarHBondContact O-N 3.47Å; L689-N693 WeakPolarHBondContact O-CB 3.49Å; L689-N693 VanDerWaalsContact O-CG 3.3Å; L689-N693 PolarHBondContact O-N 3.41Å
690	L	80.6	Confident	74.3	Confident	109 Å²	109	91.1 Å²	91.1	57%	0.571	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-47.5	175.6	-71	170.6	0	0	0	111.7	I686 Q687 S692 N693 Q694	I686-L690 HydrophobicContact CG2-CD1 3.98Å; I686-L690 HydrophobicContact CG2-CG 4.41Å; I686-L690 WeakPolarHBondContact O-CG 3.5Å; I686-L690 PolarHBondContact O-N 2.96Å; Q687-L690 PolarHBondContact O-N 3.32Å; L690-S692 VanDerWaalsContact C-N 3.32Å; L690-S692 PolarHBondContact O-N 2.69Å; L690-N693 PolarHBondContact O-N 2.94Å; L690-Q694 PolarHBondContact O-N 3.2Å
691	A	81.3	Confident	76.1	Confident	62 Å²	62	96.1 Å²	96.1	51%	0.512	52%	0.523	S	S	.	.	H	α-helix	trans	-62.5	-38.2	176.2	0	0	0	0	0	112.4	Q687 K695	Q687-A691 WeakPolarHBondContact O-CB 3.3Å; Q687-A691 PolarHBondContact O-N 3.43Å; A691-K695 WeakPolarHBondContact O-CB 3.48Å; A691-K695 PolarHBondContact O-N 3.02Å
692	S	80.5	Confident	77.5	Confident	63 Å²	63	95.2 Å²	95.2	44%	0.441	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-39.4	175.3	-167.5	0	0	0	0	112.4	H688 L689 L690 C696	H688-S692 VanDerWaalsContact O-CB 3.26Å; H688-S692 WeakPolarHBondContact O-CB 3.42Å; H688-S692 PolarHBondContact O-N 2.94Å; L689-S692 PolarHBondContact O-N 3.47Å; L690-S692 VanDerWaalsContact C-N 3.32Å; L690-S692 PolarHBondContact O-N 2.69Å; S692-C696 WeakPolarHBondContact O-CB 3.26Å; S692-C696 PolarHBondContact O-N 3.43Å; S692-C696 VanDerWaalsContact O-N 3.07Å
693	N	81.7	Confident	78.2	Confident	107 Å²	107	94.6 Å²	94.6	57%	0.572	52%	0.515	S	S	*	.	H	α-helix	trans	-70	-41.4	177	-75.5	-5.7	0	0	0	111.8	L689 L690 C696 S697	L689-N693 WeakPolarHBondContact O-CB 3.49Å; L689-N693 VanDerWaalsContact O-CG 3.3Å; L689-N693 PolarHBondContact O-N 3.41Å; L690-N693 PolarHBondContact O-N 2.94Å; N693-C696 WeakPolarHBondContact O-CB 3.31Å; N693-C696 PolarHBondContact O-N 3.36Å; N693-S697 PolarHBondContact O-N 3.08Å
694	Q	86.3	Confident	78.9	Confident	122 Å²	122	95 Å²	95	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-60.4	-49	175.4	-179.8	176.7	-24.5	0	0	111	L690 C696 S697 E698	L690-Q694 PolarHBondContact O-N 3.2Å; Q694-C696 PolarHBondContact O-N 3.05Å; Q694-S697 WeakPolarHBondContact O-CA 3.46Å; Q694-S697 VanDerWaalsContact O-CB 3.3Å; Q694-S697 WeakPolarHBondContact O-CB 3.41Å; Q694-S697 PolarHBondContact O-N 3.49Å; Q694-E698 WeakPolarHBondContact CG-OE1 3.5Å; Q694-E698 PolarHBondContact NE2-OE1 3.39Å; Q694-E698 WeakPolarHBondContact O-CG 3.28Å; Q694-E698 PolarHBondContact O-N 2.9Å
695	K	84.1	Confident	79.5	Confident	128 Å²	128	98.5 Å²	98.5	56%	0.557	52%	0.524	S	S	*	.	H	α-helix	trans	-59.2	-33.9	175.7	-173.7	174.6	-177.8	176.7	0	112.9	A691 Q699	A691-K695 WeakPolarHBondContact O-CB 3.48Å; A691-K695 PolarHBondContact O-N 3.02Å; K695-Q699 WeakPolarHBondContact O-CB 3.28Å; K695-Q699 VanDerWaalsContact O-CG 3.27Å; K695-Q699 WeakPolarHBondContact O-CG 3.36Å; K695-Q699 PolarHBondContact O-N 3.17Å; K695-Q699 VanDerWaalsContact O-N 3.11Å
696	C	79.5	Confident	80.5	Confident	76 Å²	76	99.5 Å²	99.5	51%	0.514	53%	0.532	S	S	.	.	H	α-helix	trans	-68.6	-38.6	173.8	-170.6	0	0	0	0	112	S692 N693 Q694 Q699 M700	S692-C696 WeakPolarHBondContact O-CB 3.26Å; S692-C696 PolarHBondContact O-N 3.43Å; S692-C696 VanDerWaalsContact O-N 3.07Å; N693-C696 WeakPolarHBondContact O-CB 3.31Å; N693-C696 PolarHBondContact O-N 3.36Å; Q694-C696 PolarHBondContact O-N 3.05Å; C696-Q699 PolarHBondContact O-N 2.93Å; C696-M700 WeakPolarHBondContact O-CB 3.39Å; C696-M700 PolarHBondContact O-N 2.95Å
697	S	80.2	Confident	80.9	Confident	65 Å²	65	99.4 Å²	99.4	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-49.6	174.2	-162.2	0	0	0	0	111.7	N693 Q694 Q699 M700 E701	N693-S697 PolarHBondContact O-N 3.08Å; Q694-S697 WeakPolarHBondContact O-CA 3.46Å; Q694-S697 VanDerWaalsContact O-CB 3.3Å; Q694-S697 WeakPolarHBondContact O-CB 3.41Å; Q694-S697 PolarHBondContact O-N 3.49Å; S697-Q699 VanDerWaalsContact C-N 3.29Å; S697-Q699 PolarHBondContact O-N 2.68Å; S697-M700 WeakPolarHBondContact O-CB 3.42Å; S697-M700 PolarHBondContact O-N 2.61Å; S697-E701 PolarHBondContact O-N 2.59Å
698	E	84.5	Confident	81.3	Confident	97 Å²	97	95.8 Å²	95.8	45%	0.453	52%	0.515	S	S	.	.	H	α-helix	trans	-57.8	-40.4	177.2	-67.7	163.9	-177.8	0	0	111.6	Q694 A702	Q694-E698 WeakPolarHBondContact CG-OE1 3.5Å; Q694-E698 PolarHBondContact NE2-OE1 3.39Å; Q694-E698 WeakPolarHBondContact O-CG 3.28Å; Q694-E698 PolarHBondContact O-N 2.9Å; E698-A702 WeakPolarHBondContact O-CB 3.46Å; E698-A702 PolarHBondContact O-N 2.82Å
699	Q	82.3	Confident	81.8	Confident	123 Å²	123	94 Å²	94	58%	0.575	51%	0.507	S	S	*	.	H	α-helix	trans	-68.6	-32	174.5	-76	179.6	-17.2	0	0	113.5	K695 C696 S697 A703	K695-Q699 WeakPolarHBondContact O-CB 3.28Å; K695-Q699 VanDerWaalsContact O-CG 3.27Å; K695-Q699 WeakPolarHBondContact O-CG 3.36Å; K695-Q699 PolarHBondContact O-N 3.17Å; K695-Q699 VanDerWaalsContact O-N 3.11Å; C696-Q699 PolarHBondContact O-N 2.93Å; S697-Q699 VanDerWaalsContact C-N 3.29Å; S697-Q699 PolarHBondContact O-N 2.68Å; Q699-A703 WeakPolarHBondContact O-CB 3.46Å; Q699-A703 PolarHBondContact O-N 2.9Å
700	M	78.8	Confident	82	Confident	127 Å²	127	91 Å²	91	63%	0.626	49%	0.492	S	S	*	.	H	α-helix	trans	-74.4	-41.1	177.2	-173.2	167.4	64.2	0	0	111.5	C696 S697 A703 V704	C696-M700 WeakPolarHBondContact O-CB 3.39Å; C696-M700 PolarHBondContact O-N 2.95Å; S697-M700 WeakPolarHBondContact O-CB 3.42Å; S697-M700 PolarHBondContact O-N 2.61Å; M700-A703 WeakPolarHBondContact O-CB 3.21Å; M700-A703 PolarHBondContact O-N 3.27Å; M700-V704 WeakPolarHBondContact O-CG2 3.31Å; M700-V704 PolarHBondContact O-N 3.46Å
701	E	83.6	Confident	81.8	Confident	127 Å²	127	89 Å²	89	59%	0.593	48%	0.481	S	S	*	.	H	α-helix	trans	-62.1	-51.4	175.5	-171.9	165.4	-153.5	0	0	111.2	S697 A703 V704 D705	S697-E701 PolarHBondContact O-N 2.59Å; E701-A703 PolarHBondContact O-N 3.46Å; E701-A703 VanDerWaalsContact O-N 3.15Å; E701-V704 WeakPolarHBondContact O-CA 3.29Å; E701-V704 WeakPolarHBondContact O-CB 3.44Å; E701-V704 PolarHBondContact O-N 2.87Å; E701-D705 PolarHBondContact O-N 3.49Å
702	A	85.9	Confident	81.8	Confident	63 Å²	63	93.4 Å²	93.4	52%	0.521	49%	0.485	S	S	.	.	H	α-helix	trans	-59.9	-27.8	174.5	0	0	0	0	0	113.5	E698 K706	E698-A702 WeakPolarHBondContact O-CB 3.46Å; E698-A702 PolarHBondContact O-N 2.82Å; A702-K706 WeakPolarHBondContact O-CB 3.4Å; A702-K706 PolarHBondContact O-N 3.15Å
703	A	77.7	Confident	81.7	Confident	45 Å²	45	94.8 Å²	94.8	37%	0.372	49%	0.485	S	S	.	.	H	α-helix	trans	-76.3	-31.9	173.6	0	0	0	0	0	113	Q699 M700 E701 M707	Q699-A703 WeakPolarHBondContact O-CB 3.46Å; Q699-A703 PolarHBondContact O-N 2.9Å; M700-A703 WeakPolarHBondContact O-CB 3.21Å; M700-A703 PolarHBondContact O-N 3.27Å; E701-A703 PolarHBondContact O-N 3.46Å; E701-A703 VanDerWaalsContact O-N 3.15Å; A703-M707 WeakPolarHBondContact O-CB 3.47Å; A703-M707 PolarHBondContact O-N 2.78Å; A703-M707 VanDerWaalsContact O-N 3.16Å
704	V	79.5	Confident	81.3	Confident	66 Å²	66	93.6 Å²	93.6	40%	0.4	48%	0.477	S	S	.	.	H	α-helix	trans	-70.7	-45.3	173.1	168.4	0	0	0	0	110.6	M700 E701 K706 M707 N708	M700-V704 WeakPolarHBondContact O-CG2 3.31Å; M700-V704 PolarHBondContact O-N 3.46Å; E701-V704 WeakPolarHBondContact O-CA 3.29Å; E701-V704 WeakPolarHBondContact O-CB 3.44Å; E701-V704 PolarHBondContact O-N 2.87Å; V704-K706 VanDerWaalsContact C-N 3.34Å; V704-K706 PolarHBondContact O-N 3.04Å; V704-M707 CarbonylContact O-C 3.59Å; V704-M707 WeakPolarHBondContact O-CA 3.41Å; V704-M707 WeakPolarHBondContact O-CB 3.45Å; V704-M707 PolarHBondContact O-N 3.34Å; V704-N708 VanDerWaalsContact O-CG 3.3Å; V704-N708 PolarHBondContact O-N 3.25Å; V704-N708 PolarHBondContact O-ND2 2.66Å
705	D	85.1	Confident	80.9	Confident	100 Å²	100	93.6 Å²	93.6	54%	0.535	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176.7	-81.6	-22.6	0	0	0	112.6	E701 M707 N708 Q709	E701-D705 PolarHBondContact O-N 3.49Å; D705-M707 VanDerWaalsContact C-N 3.27Å; D705-M707 PolarHBondContact O-N 3.42Å; D705-N708 PolarHBondContact O-N 3.1Å; D705-Q709 WeakPolarHBondContact O-CB 3.41Å; D705-Q709 PolarHBondContact O-N 3.42Å
706	K	85	Confident	80.5	Confident	148 Å²	148	93.9 Å²	93.9	64%	0.643	48%	0.481	S	S	*	.	H	α-helix	trans	-62.4	-34.9	173.9	-169.3	167.8	-173.3	169.1	0	112.3	A702 V704 N710	A702-K706 WeakPolarHBondContact O-CB 3.4Å; A702-K706 PolarHBondContact O-N 3.15Å; V704-K706 VanDerWaalsContact C-N 3.34Å; V704-K706 PolarHBondContact O-N 3.04Å; K706-N710 PolarHBondContact O-N 2.94Å; K706-N710 VanDerWaalsContact O-N 3.14Å; K706-N710 PolarHBondContact O-ND2 3.43Å
707	M	78.7	Confident	80.2	Confident	96 Å²	96	91.7 Å²	91.7	47%	0.473	47%	0.469	S	S	.	.	H	α-helix	trans	-68.8	-43.2	173.3	-176.3	178.1	67.8	0	0	111.7	A703 V704 D705 Q709 N710 N711	A703-M707 WeakPolarHBondContact O-CB 3.47Å; A703-M707 PolarHBondContact O-N 2.78Å; A703-M707 VanDerWaalsContact O-N 3.16Å; V704-M707 CarbonylContact O-C 3.59Å; V704-M707 WeakPolarHBondContact O-CA 3.41Å; V704-M707 WeakPolarHBondContact O-CB 3.45Å; V704-M707 PolarHBondContact O-N 3.34Å; D705-M707 VanDerWaalsContact C-N 3.27Å; D705-M707 PolarHBondContact O-N 3.42Å; M707-Q709 VanDerWaalsContact C-N 3.35Å; M707-Q709 PolarHBondContact O-N 3.09Å; M707-N710 PolarHBondContact O-N 3.4Å; M707-N711 VanDerWaalsContact O-CG 3.3Å; M707-N711 PolarHBondContact O-N 3Å; M707-N711 PolarHBondContact O-ND2 3.45Å
708	N	82.8	Confident	79.7	Confident	62 Å²	62	92.2 Å²	92.2	33%	0.332	47%	0.466	S	S	.	.	H	α-helix	trans	-61.6	-41.2	176.7	-69.2	-26.6	0	0	0	111.9	V704 D705 N711 R712	V704-N708 VanDerWaalsContact O-CG 3.3Å; V704-N708 PolarHBondContact O-N 3.25Å; V704-N708 PolarHBondContact O-ND2 2.66Å; D705-N708 PolarHBondContact O-N 3.1Å; N708-N711 PolarHBondContact O-N 3.22Å; N708-R712 WeakPolarHBondContact O-CG 3.46Å; N708-R712 PolarHBondContact O-N 3.1Å
709	Q	84.2	Confident	79.2	Confident	82 Å²	82	92.9 Å²	92.9	38%	0.383	47%	0.472	S	S	.	.	H	α-helix	trans	-64.6	-47.4	175.4	179.4	57.5	23.5	0	0	112	D705 M707 N711 R712 E713	D705-Q709 WeakPolarHBondContact O-CB 3.41Å; D705-Q709 PolarHBondContact O-N 3.42Å; M707-Q709 VanDerWaalsContact C-N 3.35Å; M707-Q709 PolarHBondContact O-N 3.09Å; Q709-N711 PolarHBondContact O-N 3.46Å; Q709-R712 PolarHBondContact O-N 2.95Å; Q709-R712 VanDerWaalsContact O-N 3.16Å; Q709-E713 WeakPolarHBondContact CG-OE1 3.42Å; Q709-E713 PolarHBondContact NE2-OE1 3.49Å; Q709-E713 PolarHBondContact O-N 3.4Å; Q709-E713 VanDerWaalsContact O-N 3.08Å
710	N	79.4	Confident	79	Confident	43 Å²	43	90.5 Å²	90.5	23%	0.23	46%	0.46	C	S	.	.	H	α-helix	trans	-57.8	-35.6	175.6	-67.8	-32.1	0	0	0	112.3	K706 M707 E713 M714	K706-N710 PolarHBondContact O-N 2.94Å; K706-N710 VanDerWaalsContact O-N 3.14Å; K706-N710 PolarHBondContact O-ND2 3.43Å; M707-N710 PolarHBondContact O-N 3.4Å; N710-E713 PolarHBondContact O-N 3.39Å; N710-M714 WeakPolarHBondContact O-CB 3.4Å; N710-M714 PolarHBondContact O-N 3.4Å
711	N	76.5	Confident	78.5	Confident	66 Å²	66	88 Å²	88	35%	0.353	44%	0.443	S	S	.	.	H	α-helix	trans	-66.1	-44.5	176.8	-71.7	-17.7	0	0	0	111.9	M707 N708 Q709 E713 M714 E715	M707-N711 VanDerWaalsContact O-CG 3.3Å; M707-N711 PolarHBondContact O-N 3Å; M707-N711 PolarHBondContact O-ND2 3.45Å; N708-N711 PolarHBondContact O-N 3.22Å; Q709-N711 PolarHBondContact O-N 3.46Å; N711-E713 VanDerWaalsContact C-N 3.33Å; N711-E713 PolarHBondContact O-N 3.27Å; N711-M714 WeakPolarHBondContact O-CB 3.4Å; N711-M714 PolarHBondContact O-N 2.87Å; N711-E715 WeakPolarHBondContact O-CG 3.46Å; N711-E715 PolarHBondContact O-N 3.39Å
712	R	82	Confident	78	Confident	155 Å²	155	88.6 Å²	88.6	59%	0.585	44%	0.444	S	S	*	.	H	α-helix	trans	-60.2	-42	175.5	-64.3	171.6	-169	173.5	2.7	111.8	N708 Q709 M714 E715 M716	N708-R712 WeakPolarHBondContact O-CG 3.46Å; N708-R712 PolarHBondContact O-N 3.1Å; Q709-R712 PolarHBondContact O-N 2.95Å; Q709-R712 VanDerWaalsContact O-N 3.16Å; R712-M714 VanDerWaalsContact C-N 3.35Å; R712-E715 PolarHBondContact O-N 3.02Å; R712-M716 WeakPolarHBondContact O-CG 3.42Å; R712-M716 PolarHBondContact O-N 3.25Å
713	E	78.5	Confident	77.5	Confident	93 Å²	93	91.5 Å²	91.5	44%	0.435	45%	0.445	S	S	.	.	H	α-helix	trans	-63.8	-39.8	176.6	-70.8	174	-159.1	0	0	111.8	Q709 N710 N711 A717	Q709-E713 WeakPolarHBondContact CG-OE1 3.42Å; Q709-E713 PolarHBondContact NE2-OE1 3.49Å; Q709-E713 PolarHBondContact O-N 3.4Å; Q709-E713 VanDerWaalsContact O-N 3.08Å; N710-E713 PolarHBondContact O-N 3.39Å; N711-E713 VanDerWaalsContact C-N 3.33Å; N711-E713 PolarHBondContact O-N 3.27Å; E713-A717 WeakPolarHBondContact O-CB 3.33Å; E713-A717 PolarHBondContact O-N 2.84Å
714	M	73.7	Confident	77.3	Confident	82 Å²	82	90.1 Å²	90.1	40%	0.404	43%	0.432	S	S	.	.	H	α-helix	trans	-64.9	-42.3	174.3	-178.7	173.7	63.1	0	0	112.5	N710 N711 R712 A717 I718 F887	N710-M714 WeakPolarHBondContact O-CB 3.4Å; N710-M714 PolarHBondContact O-N 3.4Å; N711-M714 WeakPolarHBondContact O-CB 3.4Å; N711-M714 PolarHBondContact O-N 2.87Å; R712-M714 VanDerWaalsContact C-N 3.35Å; M714-A717 PolarHBondContact O-N 3.25Å; M714-I718 HydrophobicContact CG-CD1 3.99Å; M714-I718 VanDerWaalsContact O-CG1 3.29Å; M714-I718 WeakPolarHBondContact O-CG1 3.45Å; M714-I718 PolarHBondContact O-N 3.48Å; M714-F887 HydrophobicContact SD-CZ 4.26Å
715	E	76.4	Confident	76.9	Confident	122 Å²	122	90 Å²	90	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-62.2	-44.1	176.5	-73.2	176.9	163.9	0	0	112	N711 R712 A717 I718 L719	N711-E715 WeakPolarHBondContact O-CG 3.46Å; N711-E715 PolarHBondContact O-N 3.39Å; R712-E715 PolarHBondContact O-N 3.02Å; E715-A717 PolarHBondContact O-N 3.42Å; E715-I718 PolarHBondContact O-N 3.17Å; E715-L719 PolarHBondContact O-N 3.14Å
716	M	77.3	Confident	76.5	Confident	134 Å²	134	91.7 Å²	91.7	66%	0.66	44%	0.436	S	S	*	.	H	α-helix	trans	-64.1	-38.6	176.1	-68.8	-68.1	-98.3	0	0	112	R712 L719 K720	R712-M716 WeakPolarHBondContact O-CG 3.42Å; R712-M716 PolarHBondContact O-N 3.25Å; M716-L719 PolarHBondContact O-N 3.36Å; M716-L719 HydrophobicContact SD-CD1 4.31Å; M716-K720 PolarHBondContact O-N 2.93Å
717	A	71.9	Confident	75.9	Confident	30 Å²	30	88.6 Å²	88.6	25%	0.248	42%	0.424	C	S	.	.	H	α-helix	trans	-64.3	-38.9	173.5	0	0	0	0	0	112.6	E713 M714 E715 K720 R721	E713-A717 WeakPolarHBondContact O-CB 3.33Å; E713-A717 PolarHBondContact O-N 2.84Å; M714-A717 PolarHBondContact O-N 3.25Å; E715-A717 PolarHBondContact O-N 3.42Å; A717-K720 PolarHBondContact O-N 3.26Å; A717-R721 WeakPolarHBondContact O-CG 3.4Å; A717-R721 PolarHBondContact O-N 2.93Å
718	I	70	Confident	75.5	Confident	76 Å²	76	85 Å²	85	39%	0.39	41%	0.407	S	S	.	.	H	α-helix	trans	-66.2	-42.1	175.5	-69.4	163.8	0	0	0	111	M714 E715 R721 K722	M714-I718 HydrophobicContact CG-CD1 3.99Å; M714-I718 VanDerWaalsContact O-CG1 3.29Å; M714-I718 WeakPolarHBondContact O-CG1 3.45Å; M714-I718 PolarHBondContact O-N 3.48Å; E715-I718 PolarHBondContact O-N 3.17Å; I718-R721 PolarHBondContact O-N 3.12Å; I718-K722 WeakPolarHBondContact O-CG 3.3Å; I718-K722 PolarHBondContact O-N 2.9Å; I718-K722 VanDerWaalsContact O-N 3.1Å
719	L	74.8	Confident	75.2	Confident	111 Å²	111	85.6 Å²	85.6	58%	0.581	41%	0.407	S	S	*	.	H	α-helix	trans	-60.8	-46.1	174.4	-82.1	161.1	0	0	0	111.9	E715 M716 K722 K723	E715-L719 PolarHBondContact O-N 3.14Å; M716-L719 PolarHBondContact O-N 3.36Å; M716-L719 HydrophobicContact SD-CD1 4.31Å; L719-K722 PolarHBondContact O-N 2.8Å; L719-K723 PolarHBondContact O-N 3.48Å
720	K	76.5	Confident	74.8	Confident	73 Å²	73	87.1 Å²	87.1	32%	0.317	42%	0.418	S	S	.	.	H	α-helix	trans	-58.9	-48.4	175.9	-172.5	-166	168	-149.9	0	111.6	M716 A717 K722 K723 V724 E875 D879	M716-K720 PolarHBondContact O-N 2.93Å; A717-K720 PolarHBondContact O-N 3.26Å; K720-K722 VanDerWaalsContact C-N 3.29Å; K720-K722 PolarHBondContact O-N 2.62Å; K720-K723 WeakPolarHBondContact O-CB 3.4Å; K720-K723 PolarHBondContact O-N 2.92Å; K720-V724 PolarHBondContact O-N 3.37Å; K720-V724 VanDerWaalsContact O-N 3.1Å; K720-E875 VanDerWaalsContact CE-OE1 3.23Å; K720-E875 WeakPolarHBondContact CE-OE1 3.4Å; K720-E875 IonicContact NZ-OE1 3.63Å; K720-E875 PolarHBondContact NZ-OE1 2.94Å; K720-D879 IonicContact NZ-OD2 2.7Å; K720-D879 PolarHBondContact NZ-OD2 2.85Å
721	R	68.5	Low	74.5	Confident	73 Å²	73	87.2 Å²	87.2	28%	0.275	42%	0.418	S	S	.	.	H	α-helix	trans	-57.1	-40.1	176.8	-75.6	-178.1	-174.9	154.9	9.4	112.7	A717 I718 K723 V724 S725 D879 T883	A717-R721 WeakPolarHBondContact O-CG 3.4Å; A717-R721 PolarHBondContact O-N 2.93Å; I718-R721 PolarHBondContact O-N 3.12Å; R721-K723 VanDerWaalsContact C-N 3.33Å; R721-K723 PolarHBondContact O-N 2.83Å; R721-V724 PolarHBondContact O-N 2.9Å; R721-S725 WeakPolarHBondContact O-CB 3.45Å; R721-S725 PolarHBondContact O-N 3.22Å; R721-D879 PolarHBondContact NH2-O 3.46Å; R721-T883 PolarHBondContact NH2-OG1 3.23Å
722	K	73.5	Confident	74.4	Confident	141 Å²	141	89.2 Å²	89.2	61%	0.613	42%	0.421	S	S	*	.	H	α-helix	trans	-63.8	-34.8	176.1	-75	-179.1	177.3	-177	0	113	I718 L719 K720 K726	I718-K722 WeakPolarHBondContact O-CG 3.3Å; I718-K722 PolarHBondContact O-N 2.9Å; I718-K722 VanDerWaalsContact O-N 3.1Å; L719-K722 PolarHBondContact O-N 2.8Å; K720-K722 VanDerWaalsContact C-N 3.29Å; K720-K722 PolarHBondContact O-N 2.62Å; K722-K726 PolarHBondContact O-N 2.99Å
723	K	76.7	Confident	74.2	Confident	124 Å²	124	84.4 Å²	84.4	54%	0.539	41%	0.406	S	S	.	.	H	α-helix	trans	-66.4	-53.1	173.9	-173.8	176.7	-178.3	-78.8	0	111.2	L719 K720 R721 S725 K726 E727	L719-K723 PolarHBondContact O-N 3.48Å; K720-K723 WeakPolarHBondContact O-CB 3.4Å; K720-K723 PolarHBondContact O-N 2.92Å; R721-K723 VanDerWaalsContact C-N 3.33Å; R721-K723 PolarHBondContact O-N 2.83Å; K723-S725 VanDerWaalsContact C-N 3.27Å; K723-S725 PolarHBondContact O-N 3.38Å; K723-K726 PolarHBondContact O-N 3.35Å; K723-E727 WeakPolarHBondContact CE-OE1 3.31Å; K723-E727 WeakPolarHBondContact CG-OE1 3.41Å; K723-E727 IonicContact NZ-OE1 3.95Å; K723-E727 PolarHBondContact NZ-OE1 2.93Å; K723-E727 IonicContact NZ-OE2 3.14Å; K723-E727 PolarHBondContact O-N 3.28Å; K723-E727 VanDerWaalsContact O-N 3.11Å
724	V	71.5	Confident	74.2	Confident	16 Å²	16	85.8 Å²	85.8	10%	0.097	41%	0.407	C	S	.	.	H	α-helix	trans	-60.1	-36.1	179.9	-179.3	0	0	0	0	111.7	K720 R721 K726 E727 L728 I876	K720-V724 PolarHBondContact O-N 3.37Å; K720-V724 VanDerWaalsContact O-N 3.1Å; R721-V724 PolarHBondContact O-N 2.9Å; V724-K726 PolarHBondContact O-N 3Å; V724-E727 PolarHBondContact O-N 2.63Å; V724-L728 HydrophobicContact CG1-CD1 4.36Å; V724-L728 WeakPolarHBondContact O-CB 3.43Å; V724-L728 PolarHBondContact O-N 3.49Å; V724-I876 HydrophobicContact CG1-CD1 4.06Å; V724-I876 HydrophobicContact CG1-CG1 4.2Å
725	S	71.7	Confident	74.1	Confident	64 Å²	64	84.1 Å²	84.1	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-61.2	-39.9	175.3	-165.6	0	0	0	0	113	R721 K723 Q729	R721-S725 WeakPolarHBondContact O-CB 3.45Å; R721-S725 PolarHBondContact O-N 3.22Å; K723-S725 VanDerWaalsContact C-N 3.27Å; K723-S725 PolarHBondContact O-N 3.38Å; S725-Q729 PolarHBondContact O-N 3.25Å; S725-Q729 VanDerWaalsContact O-N 3.11Å
726	K	76.5	Confident	74.3	Confident	135 Å²	135	85.2 Å²	85.2	59%	0.587	40%	0.398	S	S	*	.	H	α-helix	trans	-71	-37.8	176.5	-70.3	-169.9	174.2	-161.8	0	112.3	K722 K723 V724 Q729 L730	K722-K726 PolarHBondContact O-N 2.99Å; K723-K726 PolarHBondContact O-N 3.35Å; V724-K726 PolarHBondContact O-N 3Å; K726-Q729 PolarHBondContact O-N 3.36Å; K726-L730 WeakPolarHBondContact O-CG 3.35Å; K726-L730 PolarHBondContact O-N 3.16Å; K726-L730 VanDerWaalsContact O-N 3.09Å
727	E	73.3	Confident	74.5	Confident	82 Å²	82	85.6 Å²	85.6	38%	0.383	39%	0.392	S	S	.	.	H	α-helix	trans	-64.5	-42.5	175	-70.8	164.8	177.5	0	0	111.2	K723 V724 Q729 L730 L731	K723-E727 WeakPolarHBondContact CE-OE1 3.31Å; K723-E727 WeakPolarHBondContact CG-OE1 3.41Å; K723-E727 IonicContact NZ-OE1 3.95Å; K723-E727 PolarHBondContact NZ-OE1 2.93Å; K723-E727 IonicContact NZ-OE2 3.14Å; K723-E727 PolarHBondContact O-N 3.28Å; K723-E727 VanDerWaalsContact O-N 3.11Å; V724-E727 PolarHBondContact O-N 2.63Å; E727-Q729 VanDerWaalsContact C-N 3.33Å; E727-Q729 PolarHBondContact O-N 3.35Å; E727-L730 PolarHBondContact O-N 3.2Å; E727-L731 WeakPolarHBondContact O-CG 3.36Å; E727-L731 PolarHBondContact O-N 3.11Å; E727-L731 VanDerWaalsContact O-N 3.12Å
728	L	69.6	Low	74.7	Confident	22 Å²	22	85.2 Å²	85.2	12%	0.115	39%	0.385	C	S	.	.	H	α-helix	trans	-60.2	-37.8	172.2	-94.7	165.9	0	0	0	113.3	V724 L731 R732 K869 A872 I876	V724-L728 HydrophobicContact CG1-CD1 4.36Å; V724-L728 WeakPolarHBondContact O-CB 3.43Å; V724-L728 PolarHBondContact O-N 3.49Å; L728-L731 PolarHBondContact O-N 3.03Å; L728-R732 WeakPolarHBondContact O-CG 3.48Å; L728-R732 PolarHBondContact O-N 3.27Å; L728-K869 HydrophobicContact CD2-CG 4.35Å; L728-A872 HydrophobicContact CD1-CB 4.12Å; L728-A872 HydrophobicContact CD2-CB 4.03Å; L728-A872 HydrophobicContact CG-CB 4Å; L728-I876 HydrophobicContact CD1-CD1 3.45Å; L728-I876 VanDerWaalsContact CD1-CD1 3.45Å
729	Q	76.1	Confident	75.1	Confident	73 Å²	73	85.7 Å²	85.7	34%	0.341	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-44.7	177.1	-173.5	60.5	21.2	0	0	111.4	S725 K726 E727 L731 R732 D733	S725-Q729 PolarHBondContact O-N 3.25Å; S725-Q729 VanDerWaalsContact O-N 3.11Å; K726-Q729 PolarHBondContact O-N 3.36Å; E727-Q729 VanDerWaalsContact C-N 3.33Å; E727-Q729 PolarHBondContact O-N 3.35Å; Q729-L731 VanDerWaalsContact C-N 3.25Å; Q729-L731 PolarHBondContact O-N 3.14Å; Q729-R732 WeakPolarHBondContact O-CB 3.14Å; Q729-R732 PolarHBondContact O-N 3.49Å; Q729-D733 PolarHBondContact O-N 3.36Å
730	L	77.3	Confident	75.5	Confident	115 Å²	115	85.4 Å²	85.4	60%	0.602	38%	0.383	S	S	*	.	H	α-helix	trans	-58.5	-35	175.6	-69.7	168.8	0	0	0	112.8	K726 E727 D733 R734	K726-L730 WeakPolarHBondContact O-CG 3.35Å; K726-L730 PolarHBondContact O-N 3.16Å; K726-L730 VanDerWaalsContact O-N 3.09Å; E727-L730 PolarHBondContact O-N 3.2Å; L730-D733 PolarHBondContact O-N 3.43Å; L730-R734 WeakPolarHBondContact O-CB 3.36Å; L730-R734 PolarHBondContact O-N 2.95Å
731	L	71.4	Confident	75.7	Confident	44 Å²	44	87 Å²	87	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-72.7	-25.9	174.7	-66.6	171.2	0	0	0	113.5	E727 L728 Q729 E735 E865 K869	E727-L731 WeakPolarHBondContact O-CG 3.36Å; E727-L731 PolarHBondContact O-N 3.11Å; E727-L731 VanDerWaalsContact O-N 3.12Å; L728-L731 PolarHBondContact O-N 3.03Å; Q729-L731 VanDerWaalsContact C-N 3.25Å; Q729-L731 PolarHBondContact O-N 3.14Å; L731-E735 WeakPolarHBondContact O-CB 3.36Å; L731-E735 PolarHBondContact O-N 3.32Å; L731-E865 HydrophobicContact CD2-CG 4.38Å; L731-E865 WeakPolarHBondContact CD2-OE1 3.27Å; L731-K869 VanDerWaalsContact C-CE 3.5Å; L731-K869 HydrophobicContact CB-CG 4.41Å; L731-K869 WeakPolarHBondContact O-CE 3.26Å; L731-K869 PolarHBondContact O-NZ 3.25Å
732	R	74.4	Confident	76.1	Confident	109 Å²	109	84.2 Å²	84.2	41%	0.411	38%	0.383	S	S	.	.	H	α-helix	trans	-74	-38.6	169.3	-64.8	172.5	-165.8	155.1	-0.3	111.1	L728 Q729 R734 R736	L728-R732 WeakPolarHBondContact O-CG 3.48Å; L728-R732 PolarHBondContact O-N 3.27Å; Q729-R732 WeakPolarHBondContact O-CB 3.14Å; Q729-R732 PolarHBondContact O-N 3.49Å; R732-R734 VanDerWaalsContact C-N 3.3Å; R732-R734 PolarHBondContact O-N 3.23Å; R732-R736 WeakPolarHBondContact O-CG 3.48Å; R732-R736 PolarHBondContact O-N 2.6Å; R732-R736 VanDerWaalsContact O-N 3.09Å
733	D	79.4	Confident	76.5	Confident	53 Å²	53	80.5 Å²	80.5	28%	0.283	37%	0.374	S	S	.	.	H	α-helix	trans	-73.7	-21.9	178.9	-63.1	-29.3	0	0	0	112.8	Q729 L730 R736 R737	Q729-D733 PolarHBondContact O-N 3.36Å; L730-D733 PolarHBondContact O-N 3.43Å; D733-R736 IonicContact OD1-CZ 3.87Å; D733-R736 IonicContact OD1-NE 3.78Å; D733-R736 IonicContact OD1-NH2 2.66Å; D733-R736 PolarHBondContact OD1-NH2 3.32Å; D733-R737 PolarHBondContact O-NE 3.49Å; D733-R737 PolarHBondContact O-NH2 2.99Å; D733-R737 VanDerWaalsContact O-NH2 3.16Å
734	R	77.8	Confident	76.9	Confident	122 Å²	122	80.2 Å²	80.2	46%	0.46	37%	0.372	S	S	.	.	H	α-helix	trans	-78.3	-50.1	169.1	177	172.4	175.3	-175	-6.2	111.9	L730 R732 R736 R737 L738 S861 E865	L730-R734 WeakPolarHBondContact O-CB 3.36Å; L730-R734 PolarHBondContact O-N 2.95Å; R732-R734 VanDerWaalsContact C-N 3.3Å; R732-R734 PolarHBondContact O-N 3.23Å; R734-R736 VanDerWaalsContact C-N 3.31Å; R734-R736 PolarHBondContact O-N 2.93Å; R734-R737 WeakPolarHBondContact O-CB 3.5Å; R734-R737 PolarHBondContact O-N 3.03Å; R734-L738 HydrophobicContact CG-CD1 4.18Å; R734-L738 HydrophobicContact CG-CG 4.46Å; R734-L738 PolarHBondContact O-N 2.67Å; R734-S861 PolarHBondContact NH2-OG 3.35Å; R734-E865 WeakPolarHBondContact CB-OE1 3.46Å; R734-E865 VanDerWaalsContact CD-OE1 3.27Å; R734-E865 WeakPolarHBondContact CD-OE1 3.49Å; R734-E865 WeakPolarHBondContact CG-OE1 3.46Å
735	E	72.5	Confident	77.1	Confident	47 Å²	47	80.5 Å²	80.5	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-53.1	-46	176.7	163.4	179.4	-92.5	0	0	112.7	L731 R737 L738 I739 L862 E865 K869	L731-E735 WeakPolarHBondContact O-CB 3.36Å; L731-E735 PolarHBondContact O-N 3.32Å; E735-R737 PolarHBondContact O-N 2.98Å; E735-L738 PolarHBondContact O-N 3.25Å; E735-L738 VanDerWaalsContact O-N 3.1Å; E735-I739 HydrophobicContact CG-CD1 3.7Å; E735-I739 HydrophobicContact CG-CG1 4.36Å; E735-I739 WeakPolarHBondContact O-CG1 3.47Å; E735-I739 PolarHBondContact O-N 3.35Å; E735-L862 HydrophobicContact CG-CD2 4.37Å; E735-E865 WeakPolarHBondContact CA-OE2 3.32Å; E735-E865 WeakPolarHBondContact CB-OE2 3.49Å; E735-E865 PolarHBondContact N-OE2 2.92Å; E735-E865 VanDerWaalsContact N-OE2 3.09Å; E735-K869 IonicContact OE1-NZ 2.69Å; E735-K869 PolarHBondContact OE1-NZ 2.77Å; E735-K869 IonicContact OE2-NZ 3.71Å; E735-K869 PolarHBondContact OE2-NZ 2.93Å
736	R	79.2	Confident	77.5	Confident	146 Å²	146	82.4 Å²	82.4	55%	0.551	38%	0.377	S	S	*	.	H	α-helix	trans	-56.7	-38.5	178.1	-76.2	-170.7	-81.7	-158.7	3.7	112.7	R732 D733 R734 E740	R732-R736 WeakPolarHBondContact O-CG 3.48Å; R732-R736 PolarHBondContact O-N 2.6Å; R732-R736 VanDerWaalsContact O-N 3.09Å; D733-R736 IonicContact OD1-CZ 3.87Å; D733-R736 IonicContact OD1-NE 3.78Å; D733-R736 IonicContact OD1-NH2 2.66Å; D733-R736 PolarHBondContact OD1-NH2 3.32Å; R734-R736 VanDerWaalsContact C-N 3.31Å; R734-R736 PolarHBondContact O-N 2.93Å; R736-E740 PolarHBondContact O-N 3.47Å; R736-E740 VanDerWaalsContact O-N 3.15Å
737	R	82.2	Confident	78	Confident	142 Å²	142	81.3 Å²	81.3	54%	0.536	38%	0.377	S	S	.	.	H	α-helix	trans	-71.3	-41.7	174.8	-74.7	175	-75.2	174.7	-2.7	112.3	D733 R734 E735 I739 E740 E741	D733-R737 PolarHBondContact O-NE 3.49Å; D733-R737 PolarHBondContact O-NH2 2.99Å; D733-R737 VanDerWaalsContact O-NH2 3.16Å; R734-R737 WeakPolarHBondContact O-CB 3.5Å; R734-R737 PolarHBondContact O-N 3.03Å; E735-R737 PolarHBondContact O-N 2.98Å; R737-I739 VanDerWaalsContact C-N 3.31Å; R737-I739 PolarHBondContact O-N 2.96Å; R737-E740 PolarHBondContact O-N 3.33Å; R737-E741 WeakPolarHBondContact O-CG 3.37Å; R737-E741 PolarHBondContact O-N 3.25Å
738	L	75.2	Confident	78.6	Confident	21 Å²	21	81 Å²	81	11%	0.11	38%	0.375	C	S	.	.	H	α-helix	trans	-64.3	-34.8	176.4	-70.5	176.9	0	0	0	112.4	R734 E735 N742 T858 L862	R734-L738 HydrophobicContact CG-CD1 4.18Å; R734-L738 HydrophobicContact CG-CG 4.46Å; R734-L738 PolarHBondContact O-N 2.67Å; E735-L738 PolarHBondContact O-N 3.25Å; E735-L738 VanDerWaalsContact O-N 3.1Å; L738-N742 VanDerWaalsContact O-CB 3.24Å; L738-N742 WeakPolarHBondContact O-CB 3.45Å; L738-N742 PolarHBondContact O-N 3.26Å; L738-T858 HydrophobicContact CB-CG2 4.48Å; L738-T858 HydrophobicContact CD2-CG2 4.35Å; L738-L862 HydrophobicContact CB-CD1 4.4Å; L738-L862 HydrophobicContact CB-CD2 3.62Å; L738-L862 HydrophobicContact CB-CG 3.94Å; L738-L862 HydrophobicContact CD1-CD2 4.12Å; L738-L862 HydrophobicContact CD1-CG 4.29Å
739	I	79.1	Confident	79.1	Confident	86 Å²	86	81 Å²	81	44%	0.441	38%	0.375	S	S	.	.	H	α-helix	trans	-65.1	-45.9	172.2	-68.5	168.1	0	0	0	110.5	E735 R737 E741 N742 C743 L862	E735-I739 HydrophobicContact CG-CD1 3.7Å; E735-I739 HydrophobicContact CG-CG1 4.36Å; E735-I739 WeakPolarHBondContact O-CG1 3.47Å; E735-I739 PolarHBondContact O-N 3.35Å; R737-I739 VanDerWaalsContact C-N 3.31Å; R737-I739 PolarHBondContact O-N 2.96Å; I739-E741 PolarHBondContact O-N 2.94Å; I739-N742 WeakPolarHBondContact O-CB 3.48Å; I739-N742 PolarHBondContact O-N 3.43Å; I739-C743 PolarHBondContact O-N 2.91Å; I739-C743 PolarHBondContact O-SG 3.23Å; I739-L862 HydrophobicContact CG1-CD2 4.26Å
740	E	83.1	Confident	79.5	Confident	105 Å²	105	80.8 Å²	80.8	49%	0.491	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-40.8	178.1	-160	-164.6	157.6	0	0	112.3	R736 R737 K744	R736-E740 PolarHBondContact O-N 3.47Å; R736-E740 VanDerWaalsContact O-N 3.15Å; R737-E740 PolarHBondContact O-N 3.33Å; E740-K744 VanDerWaalsContact CD-NZ 3.3Å; E740-K744 WeakPolarHBondContact O-CG 3.43Å; E740-K744 PolarHBondContact O-N 3.41Å; E740-K744 VanDerWaalsContact O-N 3.15Å; E740-K744 VanDerWaalsContact OE1-CE 3.32Å; E740-K744 WeakPolarHBondContact OE1-CE 3.33Å; E740-K744 IonicContact OE1-NZ 3.76Å; E740-K744 PolarHBondContact OE1-NZ 3.25Å
741	E	80.3	Confident	80	Confident	108 Å²	108	80.1 Å²	80.1	51%	0.505	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-39.5	172.8	-72.9	177.7	172.3	0	0	112	R737 I739 C743 K744 A745	R737-E741 WeakPolarHBondContact O-CG 3.37Å; R737-E741 PolarHBondContact O-N 3.25Å; I739-E741 PolarHBondContact O-N 2.94Å; E741-C743 PolarHBondContact O-N 3.41Å; E741-K744 PolarHBondContact O-N 2.97Å; E741-A745 WeakPolarHBondContact O-CB 3.33Å; E741-A745 PolarHBondContact O-N 3.45Å
742	N	78.2	Confident	80.5	Confident	13 Å²	13	78.4 Å²	78.4	7%	0.07	37%	0.366	C	S	.	.	H	α-helix	trans	-63.4	-40.4	177	-165.2	-79.7	0	0	0	112.2	L738 I739 A745 K746 L855 T858	L738-N742 VanDerWaalsContact O-CB 3.24Å; L738-N742 WeakPolarHBondContact O-CB 3.45Å; L738-N742 PolarHBondContact O-N 3.26Å; I739-N742 WeakPolarHBondContact O-CB 3.48Å; I739-N742 PolarHBondContact O-N 3.43Å; N742-A745 PolarHBondContact O-N 3.43Å; N742-K746 WeakPolarHBondContact O-CG 3.46Å; N742-K746 PolarHBondContact O-N 3Å; N742-K746 WeakPolarHBondContact OD1-CE 3.41Å; N742-K746 PolarHBondContact OD1-NZ 2.92Å; N742-L855 WeakPolarHBondContact ND2-CD1 3.49Å; N742-T858 HydrophobicContact CB-CG2 4.12Å
743	C	80.4	Confident	81	Confident	63 Å²	63	78.2 Å²	78.2	43%	0.426	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-51.5	173	-68.4	0	0	0	0	111.3	I739 E741 A745 K746 D747	I739-C743 PolarHBondContact O-N 2.91Å; I739-C743 PolarHBondContact O-SG 3.23Å; E741-C743 PolarHBondContact O-N 3.41Å; C743-A745 VanDerWaalsContact C-N 3.25Å; C743-A745 PolarHBondContact O-N 3.27Å; C743-K746 WeakPolarHBondContact O-CB 3.42Å; C743-K746 PolarHBondContact O-N 3.34Å; C743-D747 PolarHBondContact O-N 2.98Å
744	K	84.9	Confident	81.3	Confident	118 Å²	118	82.4 Å²	82.4	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-58.6	-35.6	177.9	-69.1	166.8	-174.4	169.9	0	112.8	E740 E741 K748	E740-K744 VanDerWaalsContact CD-NZ 3.3Å; E740-K744 WeakPolarHBondContact O-CG 3.43Å; E740-K744 PolarHBondContact O-N 3.41Å; E740-K744 VanDerWaalsContact O-N 3.15Å; E740-K744 VanDerWaalsContact OE1-CE 3.32Å; E740-K744 WeakPolarHBondContact OE1-CE 3.33Å; E740-K744 IonicContact OE1-NZ 3.76Å; E740-K744 PolarHBondContact OE1-NZ 3.25Å; E741-K744 PolarHBondContact O-N 2.97Å; K744-K748 PolarHBondContact O-N 3.32Å; K744-K748 VanDerWaalsContact O-N 3.12Å
745	A	76.6	Confident	81.6	Confident	22 Å²	22	80.1 Å²	80.1	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-43	175	0	0	0	0	0	112.3	E741 N742 C743 K748 I749 L855	E741-A745 WeakPolarHBondContact O-CB 3.33Å; E741-A745 PolarHBondContact O-N 3.45Å; N742-A745 PolarHBondContact O-N 3.43Å; C743-A745 VanDerWaalsContact C-N 3.25Å; C743-A745 PolarHBondContact O-N 3.27Å; A745-K748 PolarHBondContact O-N 3.18Å; A745-I749 WeakPolarHBondContact O-CG1 3.42Å; A745-I749 PolarHBondContact O-N 3.38Å; A745-L855 HydrophobicContact CB-CD1 4.2Å
746	K	80.9	Confident	81.9	Confident	105 Å²	105	78.3 Å²	78.3	46%	0.457	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-46.1	174.5	-75.9	163.2	171.8	157.2	0	111.9	N742 C743 K748 I749 V750	N742-K746 WeakPolarHBondContact O-CG 3.46Å; N742-K746 PolarHBondContact O-N 3Å; N742-K746 WeakPolarHBondContact OD1-CE 3.41Å; N742-K746 PolarHBondContact OD1-NZ 2.92Å; C743-K746 WeakPolarHBondContact O-CB 3.42Å; C743-K746 PolarHBondContact O-N 3.34Å; K746-K748 VanDerWaalsContact C-N 3.3Å; K746-K748 PolarHBondContact O-N 3.03Å; K746-I749 PolarHBondContact O-N 2.85Å; K746-I749 VanDerWaalsContact O-N 3.15Å; K746-V750 WeakPolarHBondContact O-CG2 3.42Å; K746-V750 PolarHBondContact O-N 3.19Å
747	D	85.9	Confident	82	Confident	112 Å²	112	73.1 Å²	73.1	60%	0.599	36%	0.36	S	S	*	.	H	α-helix	trans	-60.4	-41.3	178.2	-64.5	-30	0	0	0	111.5	C743 V750 L751	C743-D747 PolarHBondContact O-N 2.98Å; D747-V750 PolarHBondContact O-N 3.46Å; D747-L751 PolarHBondContact O-N 3.07Å; D747-L751 VanDerWaalsContact O-N 3.1Å
748	K	86.6	Confident	82	Confident	75 Å²	75	72.7 Å²	72.7	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-41.1	174.4	-166	-162.5	173.1	-145.1	0	112.4	K744 A745 K746 L751 L752 E847 T851	K744-K748 PolarHBondContact O-N 3.32Å; K744-K748 VanDerWaalsContact O-N 3.12Å; A745-K748 PolarHBondContact O-N 3.18Å; K746-K748 VanDerWaalsContact C-N 3.3Å; K746-K748 PolarHBondContact O-N 3.03Å; K748-L751 WeakPolarHBondContact O-CB 3.45Å; K748-L751 PolarHBondContact O-N 3.16Å; K748-L752 HydrophobicContact CD-CD1 4.35Å; K748-L752 HydrophobicContact CG-CD1 4.25Å; K748-L752 WeakPolarHBondContact O-CG 3.47Å; K748-L752 PolarHBondContact O-N 3.34Å; K748-E847 IonicContact NZ-OE1 3.49Å; K748-E847 PolarHBondContact NZ-OE1 2.96Å; K748-T851 HydrophobicContact CD-CG2 4.24Å; K748-T851 PolarHBondContact NZ-OG1 2.91Å
749	I	79.3	Confident	82.1	Confident	22 Å²	22	72.6 Å²	72.6	11%	0.113	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-46.8	176.4	-71.1	164.8	0	0	0	110.2	A745 K746 L751 L752 E753 L848 T851 L855	A745-I749 WeakPolarHBondContact O-CG1 3.42Å; A745-I749 PolarHBondContact O-N 3.38Å; K746-I749 PolarHBondContact O-N 2.85Å; K746-I749 VanDerWaalsContact O-N 3.15Å; I749-L751 PolarHBondContact O-N 3.36Å; I749-L752 PolarHBondContact O-N 3.09Å; I749-L752 VanDerWaalsContact O-N 3.17Å; I749-E753 HydrophobicContact CG2-CG 4.22Å; I749-E753 WeakPolarHBondContact O-CG 3.36Å; I749-E753 PolarHBondContact O-N 3.14Å; I749-L848 HydrophobicContact CG2-CD1 4.17Å; I749-T851 HydrophobicContact CD1-CG2 4.11Å; I749-T851 HydrophobicContact CG1-CG2 3.62Å; I749-L855 HydrophobicContact CD1-CB 4.41Å; I749-L855 HydrophobicContact CD1-CD2 3.8Å
750	V	85.4	Confident	82.1	Confident	69 Å²	69	73.7 Å²	73.7	42%	0.418	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-29.6	177.7	172.3	0	0	0	0	112.3	K746 D747 K754	K746-V750 WeakPolarHBondContact O-CG2 3.42Å; K746-V750 PolarHBondContact O-N 3.19Å; D747-V750 PolarHBondContact O-N 3.46Å; V750-K754 WeakPolarHBondContact O-CD 3.34Å; V750-K754 VanDerWaalsContact O-CG 3.28Å; V750-K754 WeakPolarHBondContact O-CG 3.39Å
751	L	86.5	Confident	81.9	Confident	100 Å²	100	77.5 Å²	77.5	52%	0.524	37%	0.373	S	S	.	.	H	α-helix	trans	-70.1	-52.7	171.6	-162.4	81.2	0	0	0	111.6	D747 K748 I749 E753 K754 E755	D747-L751 PolarHBondContact O-N 3.07Å; D747-L751 VanDerWaalsContact O-N 3.1Å; K748-L751 WeakPolarHBondContact O-CB 3.45Å; K748-L751 PolarHBondContact O-N 3.16Å; I749-L751 PolarHBondContact O-N 3.36Å; L751-E753 VanDerWaalsContact C-N 3.31Å; L751-E753 PolarHBondContact O-N 2.98Å; L751-K754 WeakPolarHBondContact O-CB 3.45Å; L751-K754 PolarHBondContact O-N 3.42Å; L751-K754 VanDerWaalsContact O-N 3.09Å; L751-E755 PolarHBondContact O-N 2.88Å
752	L	82.6	Confident	81.6	Confident	8 Å²	8	76.5 Å²	76.5	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-62	-35.3	-178.6	-70	170.9	0	0	0	112.8	K748 I749 K754 E755 L756 Y844 E847 L848	K748-L752 HydrophobicContact CD-CD1 4.35Å; K748-L752 HydrophobicContact CG-CD1 4.25Å; K748-L752 WeakPolarHBondContact O-CG 3.47Å; K748-L752 PolarHBondContact O-N 3.34Å; I749-L752 PolarHBondContact O-N 3.09Å; I749-L752 VanDerWaalsContact O-N 3.17Å; L752-K754 VanDerWaalsContact C-N 3.35Å; L752-E755 PolarHBondContact O-N 2.7Å; L752-L756 WeakPolarHBondContact O-CB 3.46Å; L752-L756 PolarHBondContact O-N 3.45Å; L752-Y844 HydrophobicContact CD2-CD1 3.97Å; L752-Y844 HydrophobicContact CD2-CE1 4.15Å; L752-E847 HydrophobicContact CD1-CG 4.22Å; L752-L848 HydrophobicContact CB-CD1 4.31Å
753	E	84.6	Confident	81.3	Confident	106 Å²	106	76.8 Å²	76.8	50%	0.495	37%	0.372	S	S	.	.	H	α-helix	trans	-66.7	-35.1	175.1	-73.2	-174.4	154.1	0	0	112.4	I749 L751 A757 L848	I749-E753 HydrophobicContact CG2-CG 4.22Å; I749-E753 WeakPolarHBondContact O-CG 3.36Å; I749-E753 PolarHBondContact O-N 3.14Å; L751-E753 VanDerWaalsContact C-N 3.31Å; L751-E753 PolarHBondContact O-N 2.98Å; E753-A757 VanDerWaalsContact O-CB 3.26Å; E753-A757 WeakPolarHBondContact O-CB 3.27Å; E753-A757 PolarHBondContact O-N 3.37Å; E753-L848 HydrophobicContact CG-CD1 3.86Å
754	K	86.7	Confident	80.8	Confident	140 Å²	140	78.6 Å²	78.6	61%	0.609	38%	0.378	S	S	*	.	H	α-helix	trans	-68.5	-43	173.6	-70.8	167.7	-175.1	174.2	0	111.4	V750 L751 L752 A757 F758	V750-K754 WeakPolarHBondContact O-CD 3.34Å; V750-K754 VanDerWaalsContact O-CG 3.28Å; V750-K754 WeakPolarHBondContact O-CG 3.39Å; L751-K754 WeakPolarHBondContact O-CB 3.45Å; L751-K754 PolarHBondContact O-N 3.42Å; L751-K754 VanDerWaalsContact O-N 3.09Å; L752-K754 VanDerWaalsContact C-N 3.35Å; K754-A757 PolarHBondContact O-N 2.84Å; K754-F758 PolarHBondContact O-N 2.99Å
755	E	83.5	Confident	80	Confident	74 Å²	74	79 Å²	79	35%	0.346	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-44.7	176.3	-68.8	-179.6	160.1	0	0	111.7	L751 L752 A757 F758 L759 Y844	L751-E755 PolarHBondContact O-N 2.88Å; L752-E755 PolarHBondContact O-N 2.7Å; E755-A757 VanDerWaalsContact C-N 3.32Å; E755-A757 PolarHBondContact O-N 3.46Å; E755-F758 WeakPolarHBondContact O-CB 3.43Å; E755-F758 PolarHBondContact O-N 3.34Å; E755-F758 VanDerWaalsContact O-N 3.16Å; E755-L759 WeakPolarHBondContact O-CG 3.47Å; E755-L759 PolarHBondContact O-N 3.12Å; E755-Y844 WeakPolarHBondContact OE2-CE1 3.35Å
756	L	77.9	Confident	79.1	Confident	9 Å²	9	79.7 Å²	79.7	5%	0.047	38%	0.382	C	S	.	.	H	α-helix	trans	-60.5	-39.1	172.4	-86	167.1	0	0	0	112.8	L752 F758 K760 L848	L752-L756 WeakPolarHBondContact O-CB 3.46Å; L752-L756 PolarHBondContact O-N 3.45Å; L756-F758 VanDerWaalsContact C-N 3.33Å; L756-K760 WeakPolarHBondContact O-CB 3.46Å; L756-K760 VanDerWaalsContact O-CG 3.24Å; L756-K760 WeakPolarHBondContact O-CG 3.4Å; L756-K760 PolarHBondContact O-N 3.46Å; L756-K760 VanDerWaalsContact O-N 3.1Å; L756-L848 HydrophobicContact CD1-CB 4.07Å; L756-L848 HydrophobicContact CD1-CD2 3.78Å; L756-L848 HydrophobicContact CD1-CG 4.37Å
757	A	82.3	Confident	77.8	Confident	38 Å²	38	79.5 Å²	79.5	31%	0.314	38%	0.383	S	S	.	.	H	α-helix	trans	-69.3	-30.4	176.3	0	0	0	0	0	112.6	E753 K754 E755 R761	E753-A757 VanDerWaalsContact O-CB 3.26Å; E753-A757 WeakPolarHBondContact O-CB 3.27Å; E753-A757 PolarHBondContact O-N 3.37Å; K754-A757 PolarHBondContact O-N 2.84Å; E755-A757 VanDerWaalsContact C-N 3.32Å; E755-A757 PolarHBondContact O-N 3.46Å; A757-R761 VanDerWaalsContact O-CG 3.31Å; A757-R761 WeakPolarHBondContact O-CG 3.32Å; A757-R761 PolarHBondContact O-NE 3.31Å
758	F	82.2	Confident	76.1	Confident	132 Å²	132	78.1 Å²	78.1	58%	0.579	38%	0.378	S	S	*	.	H	α-helix	trans	-71.8	-53	173.6	179.9	-94	0	0	0	111.4	K754 E755 L756 K760 R761 Q762	K754-F758 PolarHBondContact O-N 2.99Å; E755-F758 WeakPolarHBondContact O-CB 3.43Å; E755-F758 PolarHBondContact O-N 3.34Å; E755-F758 VanDerWaalsContact O-N 3.16Å; L756-F758 VanDerWaalsContact C-N 3.33Å; F758-K760 VanDerWaalsContact C-N 3.32Å; F758-K760 PolarHBondContact O-N 3.36Å; F758-R761 WeakPolarHBondContact O-CB 3.47Å; F758-R761 PolarHBondContact O-N 2.9Å; F758-Q762 PolarHBondContact O-N 3.47Å; F758-Q762 VanDerWaalsContact O-N 3.11Å
759	L	76.3	Confident	74.3	Confident	19 Å²	19	80.5 Å²	80.5	10%	0.099	39%	0.39	C	S	.	.	H	α-helix	trans	-61.5	-37	-178.6	-70.9	169	0	0	0	112.8	E755 R761 Q762 A763 L837 V841 Y844	E755-L759 WeakPolarHBondContact O-CG 3.47Å; E755-L759 PolarHBondContact O-N 3.12Å; L759-R761 VanDerWaalsContact C-N 3.34Å; L759-R761 PolarHBondContact O-N 3.33Å; L759-Q762 PolarHBondContact O-N 2.79Å; L759-A763 WeakPolarHBondContact O-CB 3.45Å; L759-A763 PolarHBondContact O-N 2.98Å; L759-L837 HydrophobicContact CD2-CD2 4.29Å; L759-V841 HydrophobicContact CB-CG2 4.05Å; L759-Y844 HydrophobicContact CD1-CD2 3.41Å; L759-Y844 VanDerWaalsContact CD1-CD2 3.41Å; L759-Y844 HydrophobicContact CD1-CE2 3.4Å; L759-Y844 HydrophobicContact CD1-CG 4.4Å
760	K	78.9	Confident	72.9	Confident	109 Å²	109	81.5 Å²	81.5	47%	0.474	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-38.5	172.8	-77.3	173.1	-179	175.4	0	112.9	L756 F758 N764	L756-K760 WeakPolarHBondContact O-CB 3.46Å; L756-K760 VanDerWaalsContact O-CG 3.24Å; L756-K760 WeakPolarHBondContact O-CG 3.4Å; L756-K760 PolarHBondContact O-N 3.46Å; L756-K760 VanDerWaalsContact O-N 3.1Å; F758-K760 VanDerWaalsContact C-N 3.32Å; F758-K760 PolarHBondContact O-N 3.36Å; K760-N764 WeakPolarHBondContact O-CB 3.5Å; K760-N764 PolarHBondContact O-N 3.19Å; K760-N764 VanDerWaalsContact O-N 3.17Å; K760-N764 PolarHBondContact O-OD1 2.95Å; K760-N764 VanDerWaalsContact O-OD1 3.14Å
761	R	79.3	Confident	71.1	Confident	186 Å²	186	84.1 Å²	84.1	70%	0.702	41%	0.409	S	S	*	.	H	α-helix	trans	-66.2	-43	175.5	-66.1	169.7	-155.9	-170.2	3.8	110.7	A757 F758 L759 H765	A757-R761 VanDerWaalsContact O-CG 3.31Å; A757-R761 WeakPolarHBondContact O-CG 3.32Å; A757-R761 PolarHBondContact O-NE 3.31Å; F758-R761 WeakPolarHBondContact O-CB 3.47Å; F758-R761 PolarHBondContact O-N 2.9Å; L759-R761 VanDerWaalsContact C-N 3.34Å; L759-R761 PolarHBondContact O-N 3.33Å; R761-H765 PolarHBondContact O-N 3.03Å; R761-H765 VanDerWaalsContact O-N 3.08Å
762	Q	75.4	Confident	69.2	Low	87 Å²	87	86.4 Å²	86.4	41%	0.407	42%	0.417	S	S	.	.	H	α-helix	trans	-64.8	-45.3	-180	-167.2	174.3	30.3	0	0	112.2	F758 L759 H765 N766	F758-Q762 PolarHBondContact O-N 3.47Å; F758-Q762 VanDerWaalsContact O-N 3.11Å; L759-Q762 PolarHBondContact O-N 2.79Å; Q762-H765 PolarHBondContact O-N 3.09Å; Q762-N766 PolarHBondContact O-N 3.43Å; Q762-N766 PolarHBondContact O-OD1 3.37Å
763	A	70.2	Confident	67.5	Low	18 Å²	18	90 Å²	90	15%	0.149	45%	0.447	C	S	.	.	H	α-helix	trans	-60.3	-47.9	176.3	0	0	0	0	0	112.1	L759 H765 N766 E767	L759-A763 WeakPolarHBondContact O-CB 3.45Å; L759-A763 PolarHBondContact O-N 2.98Å; A763-H765 VanDerWaalsContact C-N 3.26Å; A763-H765 PolarHBondContact O-N 2.69Å; A763-N766 PolarHBondContact O-N 3.42Å; A763-E767 PolarHBondContact O-N 3.4Å
764	N	71.7	Confident	65.7	Low	102 Å²	102	94.6 Å²	94.6	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-60.1	-35.1	177.4	-70.9	15	0	0	0	112.4	K760 N766 E767 V768	K760-N764 WeakPolarHBondContact O-CB 3.5Å; K760-N764 PolarHBondContact O-N 3.19Å; K760-N764 VanDerWaalsContact O-N 3.17Å; K760-N764 PolarHBondContact O-OD1 2.95Å; K760-N764 VanDerWaalsContact O-OD1 3.14Å; N764-N766 VanDerWaalsContact C-N 3.34Å; N764-N766 PolarHBondContact O-N 3.1Å; N764-E767 PolarHBondContact O-N 2.99Å; N764-V768 PolarHBondContact O-N 3.09Å
765	H	66.3	Low	63.6	Low	125 Å²	125	92.6 Å²	92.6	58%	0.579	46%	0.464	S	S	*	.	H	α-helix	trans	-66.2	-36.2	179.9	-146.9	-47	0	0	0	112.3	R761 Q762 A763	R761-H765 PolarHBondContact O-N 3.03Å; R761-H765 VanDerWaalsContact O-N 3.08Å; Q762-H765 PolarHBondContact O-N 3.09Å; A763-H765 VanDerWaalsContact C-N 3.26Å; A763-H765 PolarHBondContact O-N 2.69Å
766	N	57.7	Low	61.7	Low	37 Å²	37	99.1 Å²	99.1	20%	0.198	49%	0.491	C	S	.	.	H	α-helix	trans	-75.5	-29.1	178.4	-65.2	3.9	0	0	0	113.2	Q762 A763 N764 T770 N834 L837	Q762-N766 PolarHBondContact O-N 3.43Å; Q762-N766 PolarHBondContact O-OD1 3.37Å; A763-N766 PolarHBondContact O-N 3.42Å; N764-N766 VanDerWaalsContact C-N 3.34Å; N764-N766 PolarHBondContact O-N 3.1Å; N766-T770 PolarHBondContact O-N 3.36Å; N766-T770 PolarHBondContact O-OG1 2.69Å; N766-N834 VanDerWaalsContact CB-OD1 3.31Å; N766-N834 WeakPolarHBondContact CB-OD1 3.41Å; N766-N834 PolarHBondContact ND2-OD1 2.87Å; N766-L837 WeakPolarHBondContact ND2-CD1 3.25Å
767	E	53.7	Low	59.7	Low	102 Å²	102	101.8 Å²	101.8	48%	0.477	52%	0.521	S	S	.	.	H	α-helix	trans	-70.6	-34	175.6	-71.2	-163.9	143.1	0	0	112.2	A763 N764 T770 L771	A763-E767 PolarHBondContact O-N 3.4Å; N764-E767 PolarHBondContact O-N 2.99Å; E767-T770 WeakPolarHBondContact CA-OG1 3.47Å; E767-T770 PolarHBondContact O-N 3.08Å; E767-T770 PolarHBondContact O-OG1 3.14Å; E767-L771 WeakPolarHBondContact O-CG 3.43Å; E767-L771 PolarHBondContact O-N 3.48Å
768	V	52	Low	57.5	Low	82 Å²	82	104.6 Å²	104.6	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-48.9	175.1	174.8	0	0	0	0	110.9	N764 T770 L771 E772	N764-V768 PolarHBondContact O-N 3.09Å; V768-T770 PolarHBondContact O-N 2.87Å; V768-L771 PolarHBondContact O-N 3.24Å; V768-L771 VanDerWaalsContact O-N 3.16Å; V768-E772 PolarHBondContact O-N 3.49Å; V768-E772 VanDerWaalsContact O-N 3.07Å
769	E	48.8	Very low	55.2	Low	125 Å²	125	108.3 Å²	108.3	58%	0.584	56%	0.56	S	S	*	*	H	α-helix	trans	-60.2	-32.5	178.2	-67.1	-169.5	167	0	0	113.1	A773	E769-A773 WeakPolarHBondContact O-CB 3.38Å; E769-A773 PolarHBondContact O-N 3.37Å
770	T	49.6	Very low	53.5	Low	44 Å²	44	114.8 Å²	114.8	27%	0.27	59%	0.592	S	S	.	*	H	α-helix	trans	-82.2	-22.1	178.3	37	0	0	0	0	114.3	N766 E767 V768 I830	N766-T770 PolarHBondContact O-N 3.36Å; N766-T770 PolarHBondContact O-OG1 2.69Å; E767-T770 WeakPolarHBondContact CA-OG1 3.47Å; E767-T770 PolarHBondContact O-N 3.08Å; E767-T770 PolarHBondContact O-OG1 3.14Å; V768-T770 PolarHBondContact O-N 2.87Å; T770-I830 HydrophobicContact CG2-CB 4.19Å; T770-I830 HydrophobicContact CG2-CD1 4.12Å; T770-I830 HydrophobicContact CG2-CG2 3.54Å
771	L	47.4	Very low	51.5	Low	124 Å²	124	114.6 Å²	114.6	65%	0.649	60%	0.6	S	S	*	*	H	α-helix	trans	-78.6	-43.1	172.5	-76.7	166.5	0	0	0	112	E767 V768 A773 R774 S775	E767-L771 WeakPolarHBondContact O-CG 3.43Å; E767-L771 PolarHBondContact O-N 3.48Å; V768-L771 PolarHBondContact O-N 3.24Å; V768-L771 VanDerWaalsContact O-N 3.16Å; L771-A773 VanDerWaalsContact C-N 3.3Å; L771-A773 PolarHBondContact O-N 3.12Å; L771-R774 PolarHBondContact O-N 2.89Å; L771-R774 VanDerWaalsContact O-N 3.14Å; L771-S775 PolarHBondContact O-N 3.5Å
772	E	46.4	Very low	49.6	Very low	147 Å²	147	113.2 Å²	113.2	69%	0.687	61%	0.607	S	S	*	*	H	α-helix	trans	-61.8	-38.3	176.5	-68.2	-164.4	149.9	0	0	112	V768 R774 S775	V768-E772 PolarHBondContact O-N 3.49Å; V768-E772 VanDerWaalsContact O-N 3.07Å; E772-R774 PolarHBondContact O-N 2.7Å; E772-S775 PolarHBondContact O-N 3.05Å
773	A	46.1	Very low	47.6	Very low	83 Å²	83	118.3 Å²	118.3	69%	0.686	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-23.8	176.4	0	0	0	0	0	114.3	E769 L771	E769-A773 WeakPolarHBondContact O-CB 3.38Å; E769-A773 PolarHBondContact O-N 3.37Å; L771-A773 VanDerWaalsContact C-N 3.3Å; L771-A773 PolarHBondContact O-N 3.12Å
774	R	46.4	Very low	46.1	Very low	203 Å²	203	123.3 Å²	123.3	77%	0.766	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-5.2	-177.4	-83.3	-177.9	165.2	170.7	-2.4	115	L771 E772 K776	L771-R774 PolarHBondContact O-N 2.89Å; L771-R774 VanDerWaalsContact O-N 3.14Å; E772-R774 PolarHBondContact O-N 2.7Å; R774-K776 VanDerWaalsContact C-N 3.31Å; R774-K776 PolarHBondContact O-N 3.47Å
775	S	44.1	Very low	44.3	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	66%	0.657	S	S	*	*			trans	-78.5	-3	-172.5	-156	0	0	0	0	115.4	L771 E772 G777	L771-S775 PolarHBondContact O-N 3.5Å; E772-S775 PolarHBondContact O-N 3.05Å; S775-G777 VanDerWaalsContact C-N 3.34Å; S775-G777 PolarHBondContact O-N 2.88Å; S775-G777 VanDerWaalsContact O-N 3.07Å
776	K	42.1	Very low	43.1	Very low	210 Å²	210	123.4 Å²	123.4	91%	0.913	67%	0.666	S	S	*	*			trans	-85.9	63	180	-72.4	-178.8	178.6	170.8	0	113.3	R774	R774-K776 VanDerWaalsContact C-N 3.31Å; R774-K776 PolarHBondContact O-N 3.47Å
777	G	37.1	Very low	42.1	Very low	66 Å²	66	126.9 Å²	126.9	68%	0.68	69%	0.693	S	S	*	*	S	Bend	trans	-172	119.1	174.3	0	0	0	0	0	112.2	S775	S775-G777 VanDerWaalsContact C-N 3.34Å; S775-G777 PolarHBondContact O-N 2.88Å; S775-G777 VanDerWaalsContact O-N 3.07Å
778	A	36.4	Very low	41.4	Very low	96 Å²	96	126 Å²	126	79%	0.793	70%	0.703	S	S	*	*			trans	-63.9	145.8	-174.1	0	0	0	0	0	113.6
779	F	33.1	Very low	40.7	Very low	210 Å²	210	130.2 Å²	130.2	92%	0.921	72%	0.718	S	S	*	*				-153.9	165.4	111.6	-126.8	-95.5	0	0	0	112
780	M	40.3	Very low	40.1	Very low	156 Å²	156	129.5 Å²	129.5	77%	0.768	72%	0.722	S	S	*	*			trans	-112.9	158.1	-169	-104.1	175.4	64.5	0	0	112.8
781	V	38	Very low	39.4	Very low	104 Å²	104	138.1 Å²	138.1	63%	0.63	75%	0.749	S	S	*	*			trans	65.7	102.5	151.1	170.7	0	0	0	0	115.5
782	N	38.5	Very low	39	Very low	158 Å²	158	138.8 Å²	138.8	85%	0.845	75%	0.754	S	S	*	*				-170.4	162	83.1	-105.7	-42.1	0	0	0	113.4
783	R	34.1	Very low	38.4	Very low	193 Å²	193	137.6 Å²	137.6	73%	0.728	76%	0.756	S	S	*	*			trans	-135.7	139.8	174.2	170.7	-176.6	178.1	149.8	0.9	110.3	D785	R783-D785 IonicContact CZ-OD1 3.21Å; R783-D785 IonicContact CZ-OD2 3.89Å; R783-D785 IonicContact NE-OD1 2.96Å; R783-D785 PolarHBondContact NE-OD1 3.07Å; R783-D785 IonicContact NE-OD2 3.13Å; R783-D785 PolarHBondContact NE-OD2 3.37Å; R783-D785 VanDerWaalsContact NE-OD2 3.13Å; R783-D785 IonicContact NH2-OD1 3.75Å; R783-D785 PolarHBondContact NH2-OD1 2.97Å; R783-D785 IonicContact NH2-OD2 3.83Å
784	P	39.5	Very low	38	Very low	124 Å²	124	138.4 Å²	138.4	81%	0.805	75%	0.753	S	S	*	*			trans	-122.8	158.2	148.3	32.4	-19.4	0	0	0	112
785	D	33.8	Very low	37.5	Very low	119 Å²	119	139.3 Å²	139.3	64%	0.636	76%	0.756	S	S	*	*			trans	-108.3	145	-172.8	-75.7	-74.1	0	0	0	114	R783	R783-D785 IonicContact CZ-OD1 3.21Å; R783-D785 IonicContact CZ-OD2 3.89Å; R783-D785 IonicContact NE-OD1 2.96Å; R783-D785 PolarHBondContact NE-OD1 3.07Å; R783-D785 IonicContact NE-OD2 3.13Å; R783-D785 PolarHBondContact NE-OD2 3.37Å; R783-D785 VanDerWaalsContact NE-OD2 3.13Å; R783-D785 IonicContact NH2-OD1 3.75Å; R783-D785 PolarHBondContact NH2-OD1 2.97Å; R783-D785 IonicContact NH2-OD2 3.83Å
786	S	39.6	Very low	37.1	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	76%	0.762	S	S	*	*			trans	-161.8	120.9	154.4	-155.2	0	0	0	0	106.6
787	S	37.5	Very low	36.8	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	76%	0.756	S	S	*	*				57.5	104.7	56.8	-159.1	0	0	0	0	109.7
788	A	38.4	Very low	36.6	Very low	83 Å²	83	142.2 Å²	142.2	69%	0.686	76%	0.756	S	S	*	*				-167	168.9	60.1	0	0	0	0	0	109.2
789	E	37.7	Very low	36.6	Very low	172 Å²	172	143.2 Å²	143.2	80%	0.804	75%	0.753	S	S	*	*			cis	-163.2	170.8	-4.6	-121.1	178.6	148	0	0	112.3
790	V	35.9	Very low	36.6	Very low	110 Å²	110	139 Å²	139	67%	0.667	75%	0.745	S	S	*	*			trans	38.7	103.6	151.1	179.4	0	0	0	0	118.7
791	R	35.6	Very low	36.4	Very low	224 Å²	224	138.4 Å²	138.4	85%	0.845	75%	0.749	S	S	*	*				63	117	69.4	-67.4	-177.3	175.1	159.9	-0.7	117.2
792	N	37.8	Very low	36.4	Very low	138 Å²	138	139 Å²	139	74%	0.738	76%	0.758	S	S	*	*				176.2	108.6	118.5	-90.7	-14	0	0	0	111.9
793	T	35.3	Very low	36.1	Very low	122 Å²	122	139.2 Å²	139.2	75%	0.748	76%	0.759	S	S	*	*				82.8	145.6	100.3	56.6	0	0	0	0	117.7
794	V	36.9	Very low	36.2	Very low	100 Å²	100	133.6 Å²	133.6	61%	0.606	76%	0.761	S	S	*	*			cis	178.9	141.6	-34	123.6	0	0	0	0	111.6
795	R	35.5	Very low	36.1	Very low	223 Å²	223	133 Å²	133	84%	0.842	76%	0.76	S	S	*	*			trans	64.6	144.8	172.2	-65.5	151	-164.3	150	1.8	116.5
796	K	36.5	Very low	36.3	Very low	189 Å²	189	136.8 Å²	136.8	82%	0.822	77%	0.774	S	S	*	*			cis	-137.6	144.3	36.4	-78.2	176.3	175.3	177.3	0	110.9
797	L	35.3	Very low	36	Very low	147 Å²	147	135.1 Å²	135.1	77%	0.77	77%	0.774	S	S	*	*				58.8	125	75.6	-64.9	159.1	0	0	0	113.2
798	S	33.3	Very low	36	Very low	99 Å²	99	138 Å²	138	69%	0.692	78%	0.779	S	S	*	*			cis	-150.7	176	-2	-66.3	0	0	0	0	108
799	T	35.3	Very low	35.7	Very low	118 Å²	118	141.3 Å²	141.3	72%	0.724	78%	0.784	S	S	*	*				175.9	119.2	59	-50	0	0	0	0	106.3
800	T	34.7	Very low	35.6	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	79%	0.789	S	S	*	*				26.5	146.7	109.2	49.1	0	0	0	0	118.7
801	V	35.6	Very low	35.5	Very low	142 Å²	142	139.5 Å²	139.5	86%	0.861	79%	0.789	S	S	*	*			cis	-110.9	-131.5	6.6	-145.1	0	0	0	0	111.1
802	S	36.8	Very low	35.6	Very low	117 Å²	117	136.4 Å²	136.4	82%	0.818	79%	0.789	S	S	*	*			cis	-154.9	177.5	-0.5	-155.5	0	0	0	0	111.1
803	D	33.5	Very low	35.5	Very low	163 Å²	163	137.1 Å²	137.1	87%	0.872	79%	0.793	S	S	*	*			trans	-105.9	165.8	-174.4	-112.3	-49.8	0	0	0	115.8
804	G	36	Very low	35.7	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	80%	0.798	S	S	*	*			trans	-176.6	114.7	169.1	0	0	0	0	0	113.2
805	S	37.6	Very low	35.8	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	81%	0.806	S	S	*	*			trans	-134.7	146	-165.3	57.7	0	0	0	0	114.5
806	E	36.7	Very low	36.1	Very low	198 Å²	198	136.6 Å²	136.6	93%	0.925	81%	0.807	S	S	*	*			trans	-171.8	126.4	153.3	-108	165	-154.8	0	0	108
807	G	35.1	Very low	36	Very low	74 Å²	74	134 Å²	134	76%	0.763	81%	0.81	S	S	*	*				100.7	138.9	99.3	0	0	0	0	0	110.8
808	I	35.8	Very low	36.1	Very low	171 Å²	171	131.9 Å²	131.9	88%	0.877	81%	0.814	S	S	*	*			cis	-142.7	150.6	8.3	-74.5	168.5	0	0	0	109.1
809	L	33.2	Very low	36.2	Very low	153 Å²	153	138.5 Å²	138.5	80%	0.801	82%	0.824	S	S	*	*			trans	-90.5	140.1	171.3	-80.1	162	0	0	0	112.2
810	C	34.7	Very low	36.3	Very low	132 Å²	132	137.5 Å²	137.5	89%	0.892	82%	0.821	S	S	*	*			trans	-140.5	112	153.1	-96.1	0	0	0	0	109.5
811	V	35	Very low	36.5	Very low	111 Å²	111	140.7 Å²	140.7	67%	0.673	83%	0.828	S	S	*	*			trans	-117.4	123.7	170.9	173.6	0	0	0	0	107.1
812	D	38.1	Very low	36.8	Very low	160 Å²	160	138.4 Å²	138.4	86%	0.856	82%	0.816	S	S	*	*			trans	-133.2	103.1	173.2	-144.1	-20.1	0	0	0	109.6
813	N	33.7	Very low	37.3	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	82%	0.816	S	S	*	*			trans	-113.6	91	-176.8	-94.2	-48.3	0	0	0	109.2
814	S	40.5	Very low	38.1	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	80%	0.804	S	S	*	*			trans	-110.5	131.3	170.7	-168.2	0	0	0	0	110.4
815	S	39.4	Very low	39	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	79%	0.786	S	S	*	*			trans	-112.7	148.2	-159.5	56.9	0	0	0	0	114.1
816	K	40.5	Very low	39.9	Very low	202 Å²	202	139.5 Å²	139.5	88%	0.878	79%	0.785	S	S	*	*			trans	-154.2	127.1	155.7	-112.1	163.8	-172.1	172.7	0	110.3
817	P	35.6	Very low	41	Very low	135 Å²	135	132 Å²	132	88%	0.877	76%	0.757	S	S	*	*			trans	-88.1	127.4	-172.2	32.4	-33.7	0	0	0	112.9
818	A	36.1	Very low	42.6	Very low	102 Å²	102	132 Å²	132	84%	0.843	74%	0.742	S	S	*	*			trans	-133.9	85.1	174.4	0	0	0	0	0	111.8
819	R	35.6	Very low	44.2	Very low	239 Å²	239	128.5 Å²	128.5	90%	0.902	72%	0.722	S	S	*	*			trans	-1.4	141.5	159.1	-140.9	173.3	-168.2	158.8	1.1	120.1
820	S	38.3	Very low	46	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	70%	0.696	S	S	*	*			trans	75.9	114	150	31	0	0	0	0	121.7
821	Q	38.1	Very low	47.8	Very low	188 Å²	188	123.8 Å²	123.8	88%	0.879	68%	0.684	S	S	*	*			trans	69.9	143.5	150.6	-63.5	-175.2	-55.4	0	0	120.2
822	P	42.7	Very low	49.8	Very low	94 Å²	94	124.9 Å²	124.9	61%	0.61	68%	0.68	S	S	*	*			cis	-124.9	148.4	-30.1	37.1	-23.1	0	0	0	113.2	V824 G825	P822-V824 PolarHBondContact O-N 3.19Å; P822-G825 PolarHBondContact O-N 3.16Å
823	E	48.1	Very low	51.6	Low	179 Å²	179	122.4 Å²	122.4	84%	0.836	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-18.5	-175.2	-64.5	179.3	122.1	0	0	114.8	G825 K826 A827	E823-G825 PolarHBondContact O-N 3.01Å; E823-G825 VanDerWaalsContact O-N 3.14Å; E823-K826 PolarHBondContact O-N 3.42Å; E823-K826 VanDerWaalsContact O-N 3.12Å; E823-A827 PolarHBondContact O-N 2.98Å
824	V	50.2	Low	53.4	Low	101 Å²	101	116.3 Å²	116.3	61%	0.612	63%	0.63	S	S	*	*	H	α-helix	trans	-48.1	-40.8	175.2	-174.9	0	0	0	0	111.7	P822 K826 A827 T828	P822-V824 PolarHBondContact O-N 3.19Å; V824-K826 PolarHBondContact O-N 3.15Å; V824-A827 PolarHBondContact O-N 2.93Å; V824-T828 HydrophobicContact CG1-CG2 4.48Å; V824-T828 PolarHBondContact O-N 3.48Å; V824-T828 PolarHBondContact O-OG1 3.46Å; V824-T828 VanDerWaalsContact O-OG1 3.11Å
825	G	53.9	Low	55.2	Low	39 Å²	39	113.2 Å²	113.2	40%	0.402	61%	0.612	S	S	.	*	H	α-helix	trans	-60.5	-43.6	-178.6	0	0	0	0	0	113.6	P822 E823 T828 E829	P822-G825 PolarHBondContact O-N 3.16Å; E823-G825 PolarHBondContact O-N 3.01Å; E823-G825 VanDerWaalsContact O-N 3.14Å; G825-T828 WeakPolarHBondContact CA-OG1 3.28Å; G825-T828 PolarHBondContact O-N 3.31Å; G825-T828 PolarHBondContact O-OG1 3.11Å; G825-E829 PolarHBondContact O-N 2.95Å
826	K	57.1	Low	57.2	Low	170 Å²	170	113.9 Å²	113.9	74%	0.739	60%	0.601	S	S	*	*	H	α-helix	trans	-67.6	-41.1	177.1	-74	-169.3	174.2	-171.4	0	111.6	E823 V824 T828 E829 I830	E823-K826 PolarHBondContact O-N 3.42Å; E823-K826 VanDerWaalsContact O-N 3.12Å; V824-K826 PolarHBondContact O-N 3.15Å; K826-T828 VanDerWaalsContact C-N 3.32Å; K826-T828 PolarHBondContact O-N 3.21Å; K826-E829 PolarHBondContact O-N 2.93Å; K826-I830 WeakPolarHBondContact O-CG1 3.49Å; K826-I830 PolarHBondContact O-N 3.09Å
827	A	59.9	Low	58.9	Low	42 Å²	42	105.1 Å²	105.1	35%	0.347	56%	0.564	S	S	.	*	H	α-helix	trans	-60.8	-41.2	175.9	0	0	0	0	0	111.7	E823 V824 Q831	E823-A827 PolarHBondContact O-N 2.98Å; V824-A827 PolarHBondContact O-N 2.93Å; A827-Q831 VanDerWaalsContact O-CB 3.27Å; A827-Q831 WeakPolarHBondContact O-CB 3.3Å; A827-Q831 PolarHBondContact O-N 3.46Å
828	T	69.1	Low	61	Low	74 Å²	74	103.5 Å²	103.5	45%	0.454	55%	0.547	S	S	.	.	H	α-helix	trans	-68.8	-35.2	175.3	47.6	0	0	0	0	113.4	V824 G825 K826 K832	V824-T828 HydrophobicContact CG1-CG2 4.48Å; V824-T828 PolarHBondContact O-N 3.48Å; V824-T828 PolarHBondContact O-OG1 3.46Å; V824-T828 VanDerWaalsContact O-OG1 3.11Å; G825-T828 WeakPolarHBondContact CA-OG1 3.28Å; G825-T828 PolarHBondContact O-N 3.31Å; G825-T828 PolarHBondContact O-OG1 3.11Å; K826-T828 VanDerWaalsContact C-N 3.32Å; K826-T828 PolarHBondContact O-N 3.21Å; T828-K832 WeakPolarHBondContact O-CB 3.34Å; T828-K832 PolarHBondContact O-N 3.07Å
829	E	68.2	Low	63.1	Low	97 Å²	97	101.6 Å²	101.6	45%	0.453	53%	0.531	S	S	.	.	H	α-helix	trans	-69.5	-42.3	178	-152.4	70.6	-118.8	0	0	111.6	G825 K826 K832 Q833	G825-E829 PolarHBondContact O-N 2.95Å; K826-E829 PolarHBondContact O-N 2.93Å; E829-K832 WeakPolarHBondContact O-CB 3.48Å; E829-K832 PolarHBondContact O-N 3.37Å; E829-K832 IonicContact OE1-NZ 2.74Å; E829-K832 PolarHBondContact OE1-NZ 2.93Å; E829-Q833 PolarHBondContact O-N 3Å
830	I	70.8	Confident	65.2	Low	49 Å²	49	93.1 Å²	93.1	25%	0.251	50%	0.502	S	S	.	.	H	α-helix	trans	-68.3	-41	175.7	-58.2	164.1	0	0	0	110.7	T770 K826 K832 Q833 N834	T770-I830 HydrophobicContact CG2-CB 4.19Å; T770-I830 HydrophobicContact CG2-CD1 4.12Å; T770-I830 HydrophobicContact CG2-CG2 3.54Å; K826-I830 WeakPolarHBondContact O-CG1 3.49Å; K826-I830 PolarHBondContact O-N 3.09Å; I830-K832 PolarHBondContact O-N 3Å; I830-Q833 PolarHBondContact O-N 3.41Å; I830-Q833 VanDerWaalsContact O-N 3.14Å; I830-N834 PolarHBondContact O-N 3.23Å
831	Q	72.9	Confident	67	Low	137 Å²	137	89.1 Å²	89.1	64%	0.64	47%	0.474	S	S	*	.	H	α-helix	trans	-60.9	-35.4	175.5	-172	173.2	3.1	0	0	111.9	A827 A835	A827-Q831 VanDerWaalsContact O-CB 3.27Å; A827-Q831 WeakPolarHBondContact O-CB 3.3Å; A827-Q831 PolarHBondContact O-N 3.46Å; Q831-A835 VanDerWaalsContact O-CB 3.3Å; Q831-A835 WeakPolarHBondContact O-CB 3.38Å; Q831-A835 PolarHBondContact O-N 3.03Å
832	K	77.2	Confident	69	Low	134 Å²	134	85.3 Å²	85.3	58%	0.583	46%	0.456	S	S	*	.	H	α-helix	trans	-72.1	-36	174.4	178	-179.8	161.5	-149.4	0	112.7	T828 E829 I830 K836	T828-K832 WeakPolarHBondContact O-CB 3.34Å; T828-K832 PolarHBondContact O-N 3.07Å; E829-K832 WeakPolarHBondContact O-CB 3.48Å; E829-K832 PolarHBondContact O-N 3.37Å; E829-K832 IonicContact OE1-NZ 2.74Å; E829-K832 PolarHBondContact OE1-NZ 2.93Å; I830-K832 PolarHBondContact O-N 3Å; K832-K836 PolarHBondContact O-N 3.38Å; K832-K836 VanDerWaalsContact O-N 3.1Å
833	Q	75.7	Confident	70.9	Confident	107 Å²	107	86.4 Å²	86.4	50%	0.5	45%	0.451	S	S	.	.	H	α-helix	trans	-67	-45.5	170.7	-77.7	-176.4	-34.2	0	0	112.3	E829 I830 A835 K836 L837	E829-Q833 PolarHBondContact O-N 3Å; I830-Q833 PolarHBondContact O-N 3.41Å; I830-Q833 VanDerWaalsContact O-N 3.14Å; Q833-A835 VanDerWaalsContact C-N 3.34Å; Q833-A835 PolarHBondContact O-N 2.93Å; Q833-K836 WeakPolarHBondContact O-CB 3.32Å; Q833-K836 PolarHBondContact O-N 2.94Å; Q833-K836 VanDerWaalsContact O-N 3.11Å; Q833-L837 PolarHBondContact O-N 3.48Å
834	N	72.8	Confident	72.2	Confident	24 Å²	24	80.7 Å²	80.7	13%	0.128	42%	0.422	C	S	.	.	H	α-helix	trans	-66.1	-36.7	178	-71.9	4.9	0	0	0	111.3	N766 I830 K836 L837 L838	N766-N834 VanDerWaalsContact CB-OD1 3.31Å; N766-N834 WeakPolarHBondContact CB-OD1 3.41Å; N766-N834 PolarHBondContact ND2-OD1 2.87Å; I830-N834 PolarHBondContact O-N 3.23Å; N834-K836 VanDerWaalsContact C-N 3.34Å; N834-K836 PolarHBondContact O-N 3.32Å; N834-L837 PolarHBondContact O-N 2.84Å; N834-L838 WeakPolarHBondContact O-CB 3.41Å; N834-L838 VanDerWaalsContact O-CG 3.28Å; N834-L838 WeakPolarHBondContact O-CG 3.35Å; N834-L838 PolarHBondContact O-N 2.95Å
835	A	77.8	Confident	73.7	Confident	57 Å²	57	80.9 Å²	80.9	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-38	170.5	0	0	0	0	0	112.9	Q831 Q833 A839	Q831-A835 VanDerWaalsContact O-CB 3.3Å; Q831-A835 WeakPolarHBondContact O-CB 3.38Å; Q831-A835 PolarHBondContact O-N 3.03Å; Q833-A835 VanDerWaalsContact C-N 3.34Å; Q833-A835 PolarHBondContact O-N 2.93Å; A835-A839 WeakPolarHBondContact O-CB 3.47Å; A835-A839 PolarHBondContact O-N 3.05Å; A835-A839 VanDerWaalsContact O-N 3.09Å
836	K	81.6	Confident	75.2	Confident	125 Å²	125	85.3 Å²	85.3	54%	0.543	43%	0.425	S	S	.	.	H	α-helix	trans	-67.2	-45.5	174.4	-176.9	176.8	179.4	-69.4	0	112	K832 Q833 N834 A839 E840	K832-K836 PolarHBondContact O-N 3.38Å; K832-K836 VanDerWaalsContact O-N 3.1Å; Q833-K836 WeakPolarHBondContact O-CB 3.32Å; Q833-K836 PolarHBondContact O-N 2.94Å; Q833-K836 VanDerWaalsContact O-N 3.11Å; N834-K836 VanDerWaalsContact C-N 3.34Å; N834-K836 PolarHBondContact O-N 3.32Å; K836-A839 PolarHBondContact O-N 3.44Å; K836-E840 WeakPolarHBondContact CE-OE1 3.22Å; K836-E840 IonicContact NZ-OE1 2.78Å; K836-E840 PolarHBondContact NZ-OE1 3.4Å; K836-E840 IonicContact NZ-OE2 3.08Å; K836-E840 PolarHBondContact O-N 2.98Å
837	L	76.1	Confident	76.3	Confident	18 Å²	18	80 Å²	80	9%	0.094	40%	0.403	C	S	.	.	H	α-helix	trans	-64.1	-39	177	-76	168.8	0	0	0	112.3	L759 N766 Q833 N834 E840 V841	L759-L837 HydrophobicContact CD2-CD2 4.29Å; N766-L837 WeakPolarHBondContact ND2-CD1 3.25Å; Q833-L837 PolarHBondContact O-N 3.48Å; N834-L837 PolarHBondContact O-N 2.84Å; L837-E840 PolarHBondContact O-N 3.26Å; L837-V841 WeakPolarHBondContact O-CB 3.45Å; L837-V841 WeakPolarHBondContact O-CG2 3.42Å; L837-V841 PolarHBondContact O-N 3.48Å
838	L	78.9	Confident	77.1	Confident	100 Å²	100	80 Å²	80	52%	0.524	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-43.4	173.7	-75.9	167.8	0	0	0	111.5	N834 E840 V841 E842	N834-L838 WeakPolarHBondContact O-CB 3.41Å; N834-L838 VanDerWaalsContact O-CG 3.28Å; N834-L838 WeakPolarHBondContact O-CG 3.35Å; N834-L838 PolarHBondContact O-N 2.95Å; L838-E840 VanDerWaalsContact C-N 3.35Å; L838-E840 PolarHBondContact O-N 3.49Å; L838-V841 PolarHBondContact O-N 3.04Å; L838-E842 VanDerWaalsContact O-CG 3.26Å; L838-E842 WeakPolarHBondContact O-CG 3.45Å; L838-E842 PolarHBondContact O-N 3.32Å
839	A	80.3	Confident	77.8	Confident	62 Å²	62	78.9 Å²	78.9	51%	0.512	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-38.2	175.4	0	0	0	0	0	112.6	A835 K836 E842 F843	A835-A839 WeakPolarHBondContact O-CB 3.47Å; A835-A839 PolarHBondContact O-N 3.05Å; A835-A839 VanDerWaalsContact O-N 3.09Å; K836-A839 PolarHBondContact O-N 3.44Å; A839-E842 PolarHBondContact O-N 2.91Å; A839-F843 WeakPolarHBondContact O-CB 3.37Å; A839-F843 PolarHBondContact O-N 3.05Å
840	E	79.1	Confident	78.7	Confident	61 Å²	61	79.2 Å²	79.2	29%	0.285	40%	0.395	S	S	.	.	H	α-helix	trans	-66.4	-43.4	173.3	-76.1	166.2	-172.2	0	0	111.5	K836 L837 L838 E842 F843 Y844	K836-E840 WeakPolarHBondContact CE-OE1 3.22Å; K836-E840 IonicContact NZ-OE1 2.78Å; K836-E840 PolarHBondContact NZ-OE1 3.4Å; K836-E840 IonicContact NZ-OE2 3.08Å; K836-E840 PolarHBondContact O-N 2.98Å; L837-E840 PolarHBondContact O-N 3.26Å; L838-E840 VanDerWaalsContact C-N 3.35Å; L838-E840 PolarHBondContact O-N 3.49Å; E840-E842 VanDerWaalsContact C-N 3.32Å; E840-E842 PolarHBondContact O-N 3.48Å; E840-F843 WeakPolarHBondContact O-CB 3.19Å; E840-F843 PolarHBondContact O-N 3.18Å; E840-Y844 WeakPolarHBondContact O-CD2 3.47Å; E840-Y844 PolarHBondContact O-N 3.36Å
841	V	76.9	Confident	79	Confident	13 Å²	13	77 Å²	77	8%	0.079	38%	0.384	C	S	.	.	H	α-helix	trans	-63.6	-34.9	174.8	167.9	0	0	0	0	112.2	L759 L837 L838 K845	L759-V841 HydrophobicContact CB-CG2 4.05Å; L837-V841 WeakPolarHBondContact O-CB 3.45Å; L837-V841 WeakPolarHBondContact O-CG2 3.42Å; L837-V841 PolarHBondContact O-N 3.48Å; L838-V841 PolarHBondContact O-N 3.04Å; V841-K845 HydrophobicContact CG1-CD 4.5Å; V841-K845 WeakPolarHBondContact O-CB 3.42Å; V841-K845 VanDerWaalsContact O-CG 3.22Å; V841-K845 WeakPolarHBondContact O-CG 3.41Å; V841-K845 PolarHBondContact O-N 3.38Å
842	E	80	Confident	79.4	Confident	109 Å²	109	76.7 Å²	76.7	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-68.2	-43.6	171.9	-65.7	-121.3	120.9	0	0	112.1	L838 A839 E840 K845 Q846	L838-E842 VanDerWaalsContact O-CG 3.26Å; L838-E842 WeakPolarHBondContact O-CG 3.45Å; L838-E842 PolarHBondContact O-N 3.32Å; A839-E842 PolarHBondContact O-N 2.91Å; E840-E842 VanDerWaalsContact C-N 3.32Å; E840-E842 PolarHBondContact O-N 3.48Å; E842-K845 WeakPolarHBondContact O-CB 3.46Å; E842-K845 PolarHBondContact O-N 2.92Å; E842-Q846 WeakPolarHBondContact O-CG 3.49Å; E842-Q846 PolarHBondContact O-N 3.33Å
843	F	83	Confident	79.7	Confident	116 Å²	116	73.6 Å²	73.6	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-57.1	-50.5	175.1	175	-91.4	0	0	0	111.7	A839 E840 K845 Q846 E847	A839-F843 WeakPolarHBondContact O-CB 3.37Å; A839-F843 PolarHBondContact O-N 3.05Å; E840-F843 WeakPolarHBondContact O-CB 3.19Å; E840-F843 PolarHBondContact O-N 3.18Å; F843-K845 PolarHBondContact O-N 2.88Å; F843-Q846 PolarHBondContact O-N 3.27Å; F843-Q846 VanDerWaalsContact O-N 3.16Å; F843-E847 PolarHBondContact O-N 2.94Å
844	Y	75.3	Confident	80	Confident	60 Å²	60	71.5 Å²	71.5	24%	0.235	36%	0.361	C	S	.	.	H	α-helix	trans	-67.8	-31.5	178.8	-76.7	-72.4	0	0	0	113.1	L752 E755 L759 E840 L848	L752-Y844 HydrophobicContact CD2-CD1 3.97Å; L752-Y844 HydrophobicContact CD2-CE1 4.15Å; E755-Y844 WeakPolarHBondContact OE2-CE1 3.35Å; L759-Y844 HydrophobicContact CD1-CD2 3.41Å; L759-Y844 VanDerWaalsContact CD1-CD2 3.41Å; L759-Y844 HydrophobicContact CD1-CE2 3.4Å; L759-Y844 HydrophobicContact CD1-CG 4.4Å; E840-Y844 WeakPolarHBondContact O-CD2 3.47Å; E840-Y844 PolarHBondContact O-N 3.36Å; Y844-L848 VanDerWaalsContact O-CB 3.31Å; Y844-L848 WeakPolarHBondContact O-CB 3.48Å; Y844-L848 PolarHBondContact O-N 3.29Å
845	K	82.3	Confident	80.2	Confident	105 Å²	105	71.8 Å²	71.8	46%	0.457	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-44.3	169.5	-78.1	168.8	-175.5	171.1	0	111.4	V841 E842 F843 L848 A849	V841-K845 HydrophobicContact CG1-CD 4.5Å; V841-K845 WeakPolarHBondContact O-CB 3.42Å; V841-K845 VanDerWaalsContact O-CG 3.22Å; V841-K845 WeakPolarHBondContact O-CG 3.41Å; V841-K845 PolarHBondContact O-N 3.38Å; E842-K845 WeakPolarHBondContact O-CB 3.46Å; E842-K845 PolarHBondContact O-N 2.92Å; F843-K845 PolarHBondContact O-N 2.88Å; K845-L848 PolarHBondContact O-N 3.27Å; K845-A849 WeakPolarHBondContact O-CB 3.44Å; K845-A849 PolarHBondContact O-N 3.29Å
846	Q	83.9	Confident	80.4	Confident	132 Å²	132	73.1 Å²	73.1	62%	0.617	36%	0.361	S	S	*	.	H	α-helix	trans	-66.4	-40.9	178.7	-70.3	175.1	14.8	0	0	111.5	E842 F843 A849 K850	E842-Q846 WeakPolarHBondContact O-CG 3.49Å; E842-Q846 PolarHBondContact O-N 3.33Å; F843-Q846 PolarHBondContact O-N 3.27Å; F843-Q846 VanDerWaalsContact O-N 3.16Å; Q846-A849 PolarHBondContact O-N 3.37Å; Q846-K850 VanDerWaalsContact O-CB 3.3Å; Q846-K850 WeakPolarHBondContact O-CB 3.22Å; Q846-K850 PolarHBondContact O-N 3.05Å
847	E	80.7	Confident	80.3	Confident	58 Å²	58	70.3 Å²	70.3	27%	0.271	35%	0.352	S	S	.	.	H	α-helix	trans	-69.3	-35.7	176.1	-172.2	161.7	-175.7	0	0	112.6	K748 L752 F843 T851	K748-E847 IonicContact NZ-OE1 3.49Å; K748-E847 PolarHBondContact NZ-OE1 2.96Å; L752-E847 HydrophobicContact CD1-CG 4.22Å; F843-E847 PolarHBondContact O-N 2.94Å; E847-T851 WeakPolarHBondContact O-CB 3.39Å; E847-T851 PolarHBondContact O-N 3.11Å; E847-T851 PolarHBondContact O-OG1 2.87Å
848	L	76.7	Confident	80.3	Confident	43 Å²	43	70.5 Å²	70.5	23%	0.225	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-47.9	172.3	-174.5	74.4	0	0	0	111.4	I749 L752 E753 L756 Y844 K845 T851 K852	I749-L848 HydrophobicContact CG2-CD1 4.17Å; L752-L848 HydrophobicContact CB-CD1 4.31Å; E753-L848 HydrophobicContact CG-CD1 3.86Å; L756-L848 HydrophobicContact CD1-CB 4.07Å; L756-L848 HydrophobicContact CD1-CD2 3.78Å; L756-L848 HydrophobicContact CD1-CG 4.37Å; Y844-L848 VanDerWaalsContact O-CB 3.31Å; Y844-L848 WeakPolarHBondContact O-CB 3.48Å; Y844-L848 PolarHBondContact O-N 3.29Å; K845-L848 PolarHBondContact O-N 3.27Å; L848-T851 PolarHBondContact O-N 3.44Å; L848-K852 WeakPolarHBondContact O-CB 3.4Å; L848-K852 PolarHBondContact O-N 3.42Å
849	A	84.6	Confident	80.2	Confident	50 Å²	50	70.4 Å²	70.4	41%	0.413	35%	0.353	S	S	.	.	H	α-helix	trans	-57.7	-52	177	0	0	0	0	0	111	K845 Q846 T851 K852 D853	K845-A849 WeakPolarHBondContact O-CB 3.44Å; K845-A849 PolarHBondContact O-N 3.29Å; Q846-A849 PolarHBondContact O-N 3.37Å; A849-T851 VanDerWaalsContact C-N 3.32Å; A849-T851 PolarHBondContact O-N 3.26Å; A849-K852 WeakPolarHBondContact O-CA 3.38Å; A849-K852 WeakPolarHBondContact O-CB 3.39Å; A849-K852 PolarHBondContact O-N 3.3Å; A849-D853 PolarHBondContact O-N 3.37Å
850	K	86.3	Confident	80.3	Confident	103 Å²	103	73.3 Å²	73.3	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-40.4	176.9	-178.6	-177.6	167.7	-65.7	0	113	Q846 K852 D853 E854	Q846-K850 VanDerWaalsContact O-CB 3.3Å; Q846-K850 WeakPolarHBondContact O-CB 3.22Å; Q846-K850 PolarHBondContact O-N 3.05Å; K850-K852 VanDerWaalsContact C-N 3.31Å; K850-D853 PolarHBondContact O-N 2.86Å; K850-E854 IonicContact NZ-OE1 3.7Å; K850-E854 PolarHBondContact NZ-OE1 3.07Å; K850-E854 IonicContact NZ-OE2 2.65Å; K850-E854 PolarHBondContact NZ-OE2 3Å; K850-E854 WeakPolarHBondContact O-CG 3.02Å; K850-E854 PolarHBondContact O-N 3.27Å
851	T	76.2	Confident	80.3	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-69.5	-31.5	178.2	-50.5	0	0	0	0	111.2	K748 I749 E847 L848 A849 L855	K748-T851 HydrophobicContact CD-CG2 4.24Å; K748-T851 PolarHBondContact NZ-OG1 2.91Å; I749-T851 HydrophobicContact CD1-CG2 4.11Å; I749-T851 HydrophobicContact CG1-CG2 3.62Å; E847-T851 WeakPolarHBondContact O-CB 3.39Å; E847-T851 PolarHBondContact O-N 3.11Å; E847-T851 PolarHBondContact O-OG1 2.87Å; L848-T851 PolarHBondContact O-N 3.44Å; A849-T851 VanDerWaalsContact C-N 3.32Å; A849-T851 PolarHBondContact O-N 3.26Å; T851-L855 PolarHBondContact O-N 3.02Å
852	K	82.2	Confident	80.2	Confident	129 Å²	129	72.5 Å²	72.5	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-69.1	-39.2	172.5	-173.1	-178.6	179.5	-177.1	0	112.1	L848 A849 K850 L855 N856	L848-K852 WeakPolarHBondContact O-CB 3.4Å; L848-K852 PolarHBondContact O-N 3.42Å; A849-K852 WeakPolarHBondContact O-CA 3.38Å; A849-K852 WeakPolarHBondContact O-CB 3.39Å; A849-K852 PolarHBondContact O-N 3.3Å; K850-K852 VanDerWaalsContact C-N 3.31Å; K852-L855 PolarHBondContact O-N 2.95Å; K852-N856 VanDerWaalsContact O-CG 3.27Å; K852-N856 PolarHBondContact O-N 3.34Å; K852-N856 PolarHBondContact O-ND2 2.87Å
853	D	84.4	Confident	80.3	Confident	70 Å²	70	72.5 Å²	72.5	37%	0.374	35%	0.353	S	S	.	.	H	α-helix	trans	-67.5	-40.9	175.4	-62.5	-30.6	0	0	0	111.6	A849 K850 L855 N856 L857	A849-D853 PolarHBondContact O-N 3.37Å; K850-D853 PolarHBondContact O-N 2.86Å; D853-L855 VanDerWaalsContact C-N 3.34Å; D853-L855 PolarHBondContact O-N 3.43Å; D853-N856 PolarHBondContact O-N 2.87Å; D853-L857 WeakPolarHBondContact O-CD1 3.44Å; D853-L857 WeakPolarHBondContact O-CG 3.38Å; D853-L857 PolarHBondContact O-N 2.9Å
854	E	80.1	Confident	80.2	Confident	63 Å²	63	71.3 Å²	71.3	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-43.7	171	-73.9	173.9	156.3	0	0	111.4	T205 K850 L857 T858	T205-E854 HydrophobicContact CG2-CG 4.16Å; K850-E854 IonicContact NZ-OE1 3.7Å; K850-E854 PolarHBondContact NZ-OE1 3.07Å; K850-E854 IonicContact NZ-OE2 2.65Å; K850-E854 PolarHBondContact NZ-OE2 3Å; K850-E854 WeakPolarHBondContact O-CG 3.02Å; K850-E854 PolarHBondContact O-N 3.27Å; E854-L857 PolarHBondContact O-N 3Å; E854-T858 PolarHBondContact O-N 3.24Å; E854-T858 PolarHBondContact O-OG1 2.99Å
855	L	77.6	Confident	80.1	Confident	29 Å²	29	68.8 Å²	68.8	15%	0.152	34%	0.339	C	S	.	.	H	α-helix	trans	-64.5	-42.1	175.6	-178.4	66.5	0	0	0	113	N742 A745 I749 T851 K852 D853 L857 T858 L859	N742-L855 WeakPolarHBondContact ND2-CD1 3.49Å; A745-L855 HydrophobicContact CB-CD1 4.2Å; I749-L855 HydrophobicContact CD1-CB 4.41Å; I749-L855 HydrophobicContact CD1-CD2 3.8Å; T851-L855 PolarHBondContact O-N 3.02Å; K852-L855 PolarHBondContact O-N 2.95Å; D853-L855 VanDerWaalsContact C-N 3.34Å; D853-L855 PolarHBondContact O-N 3.43Å; L855-L857 VanDerWaalsContact C-N 3.27Å; L855-L857 PolarHBondContact O-N 3.41Å; L855-T858 PolarHBondContact O-N 2.9Å; L855-L859 WeakPolarHBondContact O-CB 3.45Å; L855-L859 PolarHBondContact O-N 3.09Å
856	N	82.2	Confident	79.8	Confident	86 Å²	86	68.6 Å²	68.6	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-38.3	176.5	-73.1	-27.9	0	0	0	111.4	K852 D853 L859 K860	K852-N856 VanDerWaalsContact O-CG 3.27Å; K852-N856 PolarHBondContact O-N 3.34Å; K852-N856 PolarHBondContact O-ND2 2.87Å; D853-N856 PolarHBondContact O-N 2.87Å; N856-L859 PolarHBondContact O-N 3.42Å; N856-K860 PolarHBondContact O-N 3.01Å
857	L	80.3	Confident	79.6	Confident	66 Å²	66	65.7 Å²	65.7	35%	0.346	33%	0.326	S	S	.	.	H	α-helix	trans	-68.3	-42.7	176.3	-74.9	160.6	0	0	0	112.6	P204 T205 D853 E854 L855 L859 K860 S861	P204-L857 HydrophobicContact CB-CD1 3.39Å; P204-L857 HydrophobicContact CB-CD2 3.61Å; P204-L857 HydrophobicContact CB-CG 4.11Å; T205-L857 HydrophobicContact CG2-CD1 4.32Å; D853-L857 WeakPolarHBondContact O-CD1 3.44Å; D853-L857 WeakPolarHBondContact O-CG 3.38Å; D853-L857 PolarHBondContact O-N 2.9Å; E854-L857 PolarHBondContact O-N 3Å; L855-L857 VanDerWaalsContact C-N 3.27Å; L855-L857 PolarHBondContact O-N 3.41Å; L857-L859 VanDerWaalsContact C-N 3.29Å; L857-L859 PolarHBondContact O-N 3.39Å; L857-K860 PolarHBondContact O-N 2.92Å; L857-S861 PolarHBondContact O-N 2.98Å
858	T	75.5	Confident	79.4	Confident	21 Å²	21	65.9 Å²	65.9	13%	0.129	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-42	171.9	-52.1	0	0	0	0	111.1	L738 N742 E854 L855 S861 L862	L738-T858 HydrophobicContact CB-CG2 4.48Å; L738-T858 HydrophobicContact CD2-CG2 4.35Å; N742-T858 HydrophobicContact CB-CG2 4.12Å; E854-T858 PolarHBondContact O-N 3.24Å; E854-T858 PolarHBondContact O-OG1 2.99Å; L855-T858 PolarHBondContact O-N 2.9Å; T858-S861 PolarHBondContact O-N 2.65Å; T858-L862 HydrophobicContact CG2-CD1 4.31Å; T858-L862 WeakPolarHBondContact O-CG 3.46Å; T858-L862 PolarHBondContact O-N 2.8Å
859	L	76.5	Confident	79.2	Confident	99 Å²	99	64.9 Å²	64.9	52%	0.518	33%	0.326	S	S	.	.	H	α-helix	trans	-66.5	-42.8	-179.9	-158.7	158.1	0	0	0	111.4	L855 N856 L857 L862 Q863	L855-L859 WeakPolarHBondContact O-CB 3.45Å; L855-L859 PolarHBondContact O-N 3.09Å; N856-L859 PolarHBondContact O-N 3.42Å; L857-L859 VanDerWaalsContact C-N 3.29Å; L857-L859 PolarHBondContact O-N 3.39Å; L859-L862 PolarHBondContact O-N 3.23Å; L859-Q863 PolarHBondContact O-N 3.34Å; L859-Q863 VanDerWaalsContact O-N 3.07Å
860	K	83.5	Confident	78.9	Confident	122 Å²	122	65.1 Å²	65.1	53%	0.53	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-44.5	173.3	-161.9	-169.1	-177.7	-127.3	0	111.9	N856 L857 L862 Q863 E864	N856-K860 PolarHBondContact O-N 3.01Å; L857-K860 PolarHBondContact O-N 2.92Å; K860-L862 VanDerWaalsContact C-N 3.26Å; K860-L862 PolarHBondContact O-N 3.5Å; K860-Q863 PolarHBondContact O-N 2.99Å; K860-Q863 VanDerWaalsContact O-N 3.15Å; K860-E864 WeakPolarHBondContact CE-OE1 3.41Å; K860-E864 IonicContact NZ-OE1 2.68Å; K860-E864 PolarHBondContact NZ-OE1 3.26Å; K860-E864 WeakPolarHBondContact O-CG 3.41Å; K860-E864 PolarHBondContact O-N 3.16Å
861	S	79	Confident	78.4	Confident	23 Å²	23	61.3 Å²	61.3	16%	0.161	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-29.8	177.4	-176.5	0	0	0	0	113.1	R734 L857 T858 E865	R734-S861 PolarHBondContact NH2-OG 3.35Å; L857-S861 PolarHBondContact O-N 2.98Å; T858-S861 PolarHBondContact O-N 2.65Å; S861-E865 WeakPolarHBondContact O-CB 3.45Å; S861-E865 PolarHBondContact O-N 2.96Å; S861-E865 VanDerWaalsContact O-N 3.13Å
862	L	73.4	Confident	78.2	Confident	34 Å²	34	62 Å²	62	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-71.9	-39	173.5	-80.6	166.7	0	0	0	111.8	E735 L738 I739 T858 L859 K860 E865 Q866	E735-L862 HydrophobicContact CG-CD2 4.37Å; L738-L862 HydrophobicContact CB-CD1 4.4Å; L738-L862 HydrophobicContact CB-CD2 3.62Å; L738-L862 HydrophobicContact CB-CG 3.94Å; L738-L862 HydrophobicContact CD1-CD2 4.12Å; L738-L862 HydrophobicContact CD1-CG 4.29Å; I739-L862 HydrophobicContact CG1-CD2 4.26Å; T858-L862 HydrophobicContact CG2-CD1 4.31Å; T858-L862 WeakPolarHBondContact O-CG 3.46Å; T858-L862 PolarHBondContact O-N 2.8Å; L859-L862 PolarHBondContact O-N 3.23Å; K860-L862 VanDerWaalsContact C-N 3.26Å; K860-L862 PolarHBondContact O-N 3.5Å; L862-E865 PolarHBondContact O-N 3.05Å; L862-Q866 WeakPolarHBondContact O-CB 3.46Å; L862-Q866 PolarHBondContact O-N 3.05Å
863	Q	83	Confident	77.8	Confident	110 Å²	110	58.2 Å²	58.2	51%	0.514	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-49.3	174.8	-169.6	-171.1	-42.5	0	0	111.3	L859 K860 E865 Q866 E867	L859-Q863 PolarHBondContact O-N 3.34Å; L859-Q863 VanDerWaalsContact O-N 3.07Å; K860-Q863 PolarHBondContact O-N 2.99Å; K860-Q863 VanDerWaalsContact O-N 3.15Å; Q863-E865 VanDerWaalsContact C-N 3.26Å; Q863-E865 PolarHBondContact O-N 3.15Å; Q863-Q866 PolarHBondContact O-N 2.99Å; Q863-Q866 VanDerWaalsContact O-N 3.16Å; Q863-E867 WeakPolarHBondContact CG-OE1 3.3Å; Q863-E867 PolarHBondContact NE2-OE1 2.94Å; Q863-E867 WeakPolarHBondContact O-CG 3.44Å; Q863-E867 PolarHBondContact O-N 3.25Å
864	E	80.3	Confident	77.5	Confident	90 Å²	90	59.5 Å²	59.5	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-56	-40.6	175.5	-70.2	173.9	-169.7	0	0	111.3	K860 E867 T868	K860-E864 WeakPolarHBondContact CE-OE1 3.41Å; K860-E864 IonicContact NZ-OE1 2.68Å; K860-E864 PolarHBondContact NZ-OE1 3.26Å; K860-E864 WeakPolarHBondContact O-CG 3.41Å; K860-E864 PolarHBondContact O-N 3.16Å; E864-E867 PolarHBondContact O-N 3.07Å; E864-T868 WeakPolarHBondContact O-CG2 3.45Å; E864-T868 PolarHBondContact O-N 3.29Å; E864-T868 VanDerWaalsContact O-N 3.1Å
865	E	73.5	Confident	77.4	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-42.9	176.7	-176.6	153.9	-119	0	0	112.7	L731 R734 E735 S861 L862 Q863 E867 T868 K869	L731-E865 HydrophobicContact CD2-CG 4.38Å; L731-E865 WeakPolarHBondContact CD2-OE1 3.27Å; R734-E865 WeakPolarHBondContact CB-OE1 3.46Å; R734-E865 VanDerWaalsContact CD-OE1 3.27Å; R734-E865 WeakPolarHBondContact CD-OE1 3.49Å; R734-E865 WeakPolarHBondContact CG-OE1 3.46Å; E735-E865 WeakPolarHBondContact CA-OE2 3.32Å; E735-E865 WeakPolarHBondContact CB-OE2 3.49Å; E735-E865 PolarHBondContact N-OE2 2.92Å; E735-E865 VanDerWaalsContact N-OE2 3.09Å; S861-E865 WeakPolarHBondContact O-CB 3.45Å; S861-E865 PolarHBondContact O-N 2.96Å; S861-E865 VanDerWaalsContact O-N 3.13Å; L862-E865 PolarHBondContact O-N 3.05Å; Q863-E865 VanDerWaalsContact C-N 3.26Å; Q863-E865 PolarHBondContact O-N 3.15Å; E865-E867 VanDerWaalsContact C-N 3.31Å; E865-E867 PolarHBondContact O-N 3.5Å; E865-T868 PolarHBondContact O-N 3.33Å; E865-T868 PolarHBondContact O-OG1 3.01Å; E865-K869 PolarHBondContact O-N 2.94Å
866	Q	77.2	Confident	77.2	Confident	101 Å²	101	59.6 Å²	59.6	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-35.8	175.8	177.6	62.1	-8.3	0	0	112.5	L862 Q863 K869 T870	L862-Q866 WeakPolarHBondContact O-CB 3.46Å; L862-Q866 PolarHBondContact O-N 3.05Å; Q863-Q866 PolarHBondContact O-N 2.99Å; Q863-Q866 VanDerWaalsContact O-N 3.16Å; Q866-K869 PolarHBondContact O-N 3.45Å; Q866-T870 WeakPolarHBondContact O-CB 3.45Å; Q866-T870 PolarHBondContact O-N 3.11Å; Q866-T870 PolarHBondContact O-OG1 2.95Å
867	E	79	Confident	77	Confident	71 Å²	71	58.7 Å²	58.7	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-39.3	173.8	-71.7	171.9	-157.9	0	0	112.1	Q863 E864 E865 T870 A871	Q863-E867 WeakPolarHBondContact CG-OE1 3.3Å; Q863-E867 PolarHBondContact NE2-OE1 2.94Å; Q863-E867 WeakPolarHBondContact O-CG 3.44Å; Q863-E867 PolarHBondContact O-N 3.25Å; E864-E867 PolarHBondContact O-N 3.07Å; E865-E867 VanDerWaalsContact C-N 3.31Å; E865-E867 PolarHBondContact O-N 3.5Å; E867-T870 PolarHBondContact O-N 3.16Å; E867-A871 PolarHBondContact O-N 2.91Å
868	T	76.6	Confident	76.8	Confident	63 Å²	63	57.8 Å²	57.8	39%	0.387	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-39.8	174.1	62.8	0	0	0	0	112.8	E864 E865 T870 A871 A872	E864-T868 WeakPolarHBondContact O-CG2 3.45Å; E864-T868 PolarHBondContact O-N 3.29Å; E864-T868 VanDerWaalsContact O-N 3.1Å; E865-T868 PolarHBondContact O-N 3.33Å; E865-T868 PolarHBondContact O-OG1 3.01Å; T868-T870 VanDerWaalsContact C-N 3.33Å; T868-T870 PolarHBondContact O-N 3Å; T868-A871 PolarHBondContact O-N 3.24Å; T868-A872 PolarHBondContact O-N 3.34Å
869	K	71.6	Confident	76.7	Confident	22 Å²	22	57.8 Å²	57.8	10%	0.096	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-41.8	174	-72.3	170.3	-175	168.8	0	111.9	L728 L731 E735 E865 Q866 A871 A872 A873	L728-K869 HydrophobicContact CD2-CG 4.35Å; L731-K869 VanDerWaalsContact C-CE 3.5Å; L731-K869 HydrophobicContact CB-CG 4.41Å; L731-K869 WeakPolarHBondContact O-CE 3.26Å; L731-K869 PolarHBondContact O-NZ 3.25Å; E735-K869 IonicContact OE1-NZ 2.69Å; E735-K869 PolarHBondContact OE1-NZ 2.77Å; E735-K869 IonicContact OE2-NZ 3.71Å; E735-K869 PolarHBondContact OE2-NZ 2.93Å; E865-K869 PolarHBondContact O-N 2.94Å; Q866-K869 PolarHBondContact O-N 3.45Å; K869-A871 VanDerWaalsContact C-N 3.32Å; K869-A871 PolarHBondContact O-N 3.28Å; K869-A872 PolarHBondContact O-N 3.47Å; K869-A873 WeakPolarHBondContact O-CB 3.18Å; K869-A873 PolarHBondContact O-N 3.06Å
870	T	78	Confident	76.7	Confident	55 Å²	55	57.4 Å²	57.4	34%	0.337	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-37.7	176.8	-57	0	0	0	0	111.4	Q866 E867 T868 R874	Q866-T870 WeakPolarHBondContact O-CB 3.45Å; Q866-T870 PolarHBondContact O-N 3.11Å; Q866-T870 PolarHBondContact O-OG1 2.95Å; E867-T870 PolarHBondContact O-N 3.16Å; T868-T870 VanDerWaalsContact C-N 3.33Å; T868-T870 PolarHBondContact O-N 3Å; T870-R874 VanDerWaalsContact O-CG 3.3Å; T870-R874 WeakPolarHBondContact O-CG 3.33Å; T870-R874 PolarHBondContact O-N 3.44Å
871	A	77	Confident	76.5	Confident	22 Å²	22	57.6 Å²	57.6	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-66.7	-49.1	173.1	0	0	0	0	0	112.4	E867 T868 K869 A873 R874 E875	E867-A871 PolarHBondContact O-N 2.91Å; T868-A871 PolarHBondContact O-N 3.24Å; K869-A871 VanDerWaalsContact C-N 3.32Å; K869-A871 PolarHBondContact O-N 3.28Å; A871-A873 VanDerWaalsContact C-N 3.29Å; A871-A873 PolarHBondContact O-N 2.86Å; A871-R874 WeakPolarHBondContact O-CA 3.43Å; A871-R874 WeakPolarHBondContact O-CB 3.42Å; A871-R874 PolarHBondContact O-N 3.44Å; A871-E875 PolarHBondContact O-N 2.91Å
872	A	71.9	Confident	76.5	Confident	18 Å²	18	61 Å²	61	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-61	-36.4	178.7	0	0	0	0	0	112.8	L728 T868 K869 E875 I876	L728-A872 HydrophobicContact CD1-CB 4.12Å; L728-A872 HydrophobicContact CD2-CB 4.03Å; L728-A872 HydrophobicContact CG-CB 4Å; T868-A872 PolarHBondContact O-N 3.34Å; K869-A872 PolarHBondContact O-N 3.47Å; A872-E875 PolarHBondContact O-N 3.21Å; A872-I876 WeakPolarHBondContact O-CG1 3.38Å; A872-I876 PolarHBondContact O-N 3.04Å
873	A	73.2	Confident	76.5	Confident	51 Å²	51	60.9 Å²	60.9	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-38.2	173.3	0	0	0	0	0	112.7	K869 A871 T877	K869-A873 WeakPolarHBondContact O-CB 3.18Å; K869-A873 PolarHBondContact O-N 3.06Å; A871-A873 VanDerWaalsContact C-N 3.29Å; A871-A873 PolarHBondContact O-N 2.86Å; A873-T877 WeakPolarHBondContact O-CB 3.22Å; A873-T877 PolarHBondContact O-N 3.32Å; A873-T877 VanDerWaalsContact O-N 3.11Å; A873-T877 PolarHBondContact O-OG1 2.93Å
874	R	79.1	Confident	76.1	Confident	96 Å²	96	57.8 Å²	57.8	36%	0.362	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-46.7	173.2	-70.2	171.5	-174.9	-149	-0.2	110.9	D395 T870 A871 I876 T877 E878	D395-R874 IonicContact OD1-NH2 2.68Å; T870-R874 VanDerWaalsContact O-CG 3.3Å; T870-R874 WeakPolarHBondContact O-CG 3.33Å; T870-R874 PolarHBondContact O-N 3.44Å; A871-R874 WeakPolarHBondContact O-CA 3.43Å; A871-R874 WeakPolarHBondContact O-CB 3.42Å; A871-R874 PolarHBondContact O-N 3.44Å; R874-I876 PolarHBondContact O-N 3.38Å; R874-T877 WeakPolarHBondContact O-CB 3.35Å; R874-T877 PolarHBondContact O-N 3.49Å; R874-T877 VanDerWaalsContact O-N 3.15Å; R874-E878 PolarHBondContact O-N 2.91Å
875	E	76.9	Confident	75.9	Confident	44 Å²	44	56.7 Å²	56.7	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-47.5	177.8	-173.5	-177.6	-158.8	0	0	112.2	K720 A871 A872 T877 E878 D879	K720-E875 VanDerWaalsContact CE-OE1 3.23Å; K720-E875 WeakPolarHBondContact CE-OE1 3.4Å; K720-E875 IonicContact NZ-OE1 3.63Å; K720-E875 PolarHBondContact NZ-OE1 2.94Å; A871-E875 PolarHBondContact O-N 2.91Å; A872-E875 PolarHBondContact O-N 3.21Å; E875-T877 VanDerWaalsContact C-N 3.28Å; E875-T877 PolarHBondContact O-N 2.95Å; E875-E878 PolarHBondContact O-N 3.36Å; E875-D879 PolarHBondContact O-N 3.37Å
876	I	72.9	Confident	75.9	Confident	50 Å²	50	60.1 Å²	60.1	26%	0.256	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-42.1	176.3	-71.4	170.4	0	0	0	111.1	V724 L728 A872 R874 E878 D879 I880	V724-I876 HydrophobicContact CG1-CD1 4.06Å; V724-I876 HydrophobicContact CG1-CG1 4.2Å; L728-I876 HydrophobicContact CD1-CD1 3.45Å; L728-I876 VanDerWaalsContact CD1-CD1 3.45Å; A872-I876 WeakPolarHBondContact O-CG1 3.38Å; A872-I876 PolarHBondContact O-N 3.04Å; R874-I876 PolarHBondContact O-N 3.38Å; I876-E878 PolarHBondContact O-N 2.96Å; I876-D879 PolarHBondContact O-N 3.05Å; I876-I880 HydrophobicContact CG2-CD1 3.84Å; I876-I880 WeakPolarHBondContact O-CB 3.45Å; I876-I880 VanDerWaalsContact O-CG1 3.26Å; I876-I880 WeakPolarHBondContact O-CG1 3.46Å; I876-I880 PolarHBondContact O-N 3.2Å
877	T	78.1	Confident	75.6	Confident	67 Å²	67	61 Å²	61	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-38.7	178.7	-58.2	0	0	0	0	112	A873 R874 E875 K881	A873-T877 WeakPolarHBondContact O-CB 3.22Å; A873-T877 PolarHBondContact O-N 3.32Å; A873-T877 VanDerWaalsContact O-N 3.11Å; A873-T877 PolarHBondContact O-OG1 2.93Å; R874-T877 WeakPolarHBondContact O-CB 3.35Å; R874-T877 PolarHBondContact O-N 3.49Å; R874-T877 VanDerWaalsContact O-N 3.15Å; E875-T877 VanDerWaalsContact C-N 3.28Å; E875-T877 PolarHBondContact O-N 2.95Å; T877-K881 WeakPolarHBondContact O-CG 3.39Å; T877-K881 PolarHBondContact O-N 3.43Å; T877-K881 VanDerWaalsContact O-N 3.13Å
878	E	77.4	Confident	75.4	Confident	47 Å²	47	64 Å²	64	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-73.9	-39.6	176.5	-67.3	-162.3	121.2	0	0	112.8	Q146 R874 E875 I876 I880 K881 R882	Q146-E878 PolarHBondContact NE2-OE1 3.14Å; Q146-E878 PolarHBondContact NE2-OE2 2.92Å; R874-E878 PolarHBondContact O-N 2.91Å; E875-E878 PolarHBondContact O-N 3.36Å; I876-E878 PolarHBondContact O-N 2.96Å; E878-I880 VanDerWaalsContact C-N 3.28Å; E878-I880 PolarHBondContact O-N 3.12Å; E878-K881 PolarHBondContact O-N 3.04Å; E878-R882 WeakPolarHBondContact O-CG 3.26Å; E878-R882 PolarHBondContact O-N 3.17Å
879	D	73.7	Confident	75.3	Confident	21 Å²	21	68.4 Å²	68.4	11%	0.112	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-32.6	173	-88.2	-14.1	0	0	0	111.7	K720 R721 E875 I876 R882 T883	K720-D879 IonicContact NZ-OD2 2.7Å; K720-D879 PolarHBondContact NZ-OD2 2.85Å; R721-D879 PolarHBondContact NH2-O 3.46Å; E875-D879 PolarHBondContact O-N 3.37Å; I876-D879 PolarHBondContact O-N 3.05Å; D879-R882 WeakPolarHBondContact OD1-CD 3.34Å; D879-R882 IonicContact OD1-CZ 2.69Å; D879-R882 IonicContact OD1-NH1 2.65Å; D879-R882 PolarHBondContact OD1-NH1 3.2Å; D879-T883 PolarHBondContact O-N 3.15Å; D879-T883 VanDerWaalsContact O-N 3.13Å; D879-T883 PolarHBondContact O-OG1 2.88Å
880	I	75.1	Confident	75.1	Confident	92 Å²	92	72 Å²	72	47%	0.472	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-47.1	170.8	-72.8	165.8	0	0	0	110.8	I876 E878 R882 T883 A884	I876-I880 HydrophobicContact CG2-CD1 3.84Å; I876-I880 WeakPolarHBondContact O-CB 3.45Å; I876-I880 VanDerWaalsContact O-CG1 3.26Å; I876-I880 WeakPolarHBondContact O-CG1 3.46Å; I876-I880 PolarHBondContact O-N 3.2Å; E878-I880 VanDerWaalsContact C-N 3.28Å; E878-I880 PolarHBondContact O-N 3.12Å; I880-R882 PolarHBondContact O-N 3.12Å; I880-T883 PolarHBondContact O-N 3.46Å; I880-A884 PolarHBondContact O-N 3.46Å
881	K	80.2	Confident	74.5	Confident	126 Å²	126	78.4 Å²	78.4	55%	0.548	38%	0.384	S	S	.	.	H	α-helix	trans	-59	-45.2	176.6	-71.9	170.1	-178.3	175.6	0	111.9	T877 E878 T883 A884 D885	T877-K881 WeakPolarHBondContact O-CG 3.39Å; T877-K881 PolarHBondContact O-N 3.43Å; T877-K881 VanDerWaalsContact O-N 3.13Å; E878-K881 PolarHBondContact O-N 3.04Å; K881-T883 VanDerWaalsContact C-N 3.35Å; K881-T883 PolarHBondContact O-N 3.01Å; K881-A884 PolarHBondContact O-N 3.44Å; K881-D885 PolarHBondContact O-N 3.04Å
882	R	78.4	Confident	73.5	Confident	95 Å²	95	84 Å²	84	36%	0.358	41%	0.406	S	S	.	.	H	α-helix	trans	-55.9	-45.8	174.3	-72.2	172.6	178.2	155.6	-4.1	112.1	E878 D879 I880 D885 L886	E878-R882 WeakPolarHBondContact O-CG 3.26Å; E878-R882 PolarHBondContact O-N 3.17Å; D879-R882 WeakPolarHBondContact OD1-CD 3.34Å; D879-R882 IonicContact OD1-CZ 2.69Å; D879-R882 IonicContact OD1-NH1 2.65Å; D879-R882 PolarHBondContact OD1-NH1 3.2Å; I880-R882 PolarHBondContact O-N 3.12Å; R882-D885 PolarHBondContact O-N 3.33Å; R882-L886 WeakPolarHBondContact O-CG 3.31Å; R882-L886 PolarHBondContact O-N 2.64Å
883	T	74	Confident	72.1	Confident	30 Å²	30	91.3 Å²	91.3	18%	0.184	44%	0.435	C	S	.	.	H	α-helix	trans	-64.4	-41.8	175.9	-63.9	0	0	0	0	112.4	R721 D879 I880 K881 D885 L886 F887	R721-T883 PolarHBondContact NH2-OG1 3.23Å; D879-T883 PolarHBondContact O-N 3.15Å; D879-T883 VanDerWaalsContact O-N 3.13Å; D879-T883 PolarHBondContact O-OG1 2.88Å; I880-T883 PolarHBondContact O-N 3.46Å; K881-T883 VanDerWaalsContact C-N 3.35Å; K881-T883 PolarHBondContact O-N 3.01Å; T883-D885 VanDerWaalsContact C-N 3.33Å; T883-D885 PolarHBondContact O-N 3.11Å; T883-L886 PolarHBondContact O-N 3.39Å; T883-F887 HydrophobicContact CG2-CD2 3.71Å; T883-F887 HydrophobicContact CG2-CE2 3.49Å; T883-F887 VanDerWaalsContact CG2-CE2 3.49Å; T883-F887 VanDerWaalsContact O-CD2 3.3Å; T883-F887 WeakPolarHBondContact O-CD2 3.5Å; T883-F887 PolarHBondContact O-N 3Å
884	A	74.3	Confident	70.7	Confident	46 Å²	46	94.1 Å²	94.1	38%	0.38	45%	0.449	S	S	.	.	H	α-helix	trans	-62.7	-39.4	177.1	0	0	0	0	0	112.2	I880 K881 F887 R888	I880-A884 PolarHBondContact O-N 3.46Å; K881-A884 PolarHBondContact O-N 3.44Å; A884-F887 PolarHBondContact O-N 2.96Å; A884-R888 PolarHBondContact O-N 3.16Å
885	D	75.3	Confident	68.9	Low	67 Å²	67	99.2 Å²	99.2	36%	0.358	47%	0.474	S	S	.	.	H	α-helix	trans	-69.9	-34.5	175.6	-72.5	-17.6	0	0	0	112.7	K881 R882 T883 R888 K889	K881-D885 PolarHBondContact O-N 3.04Å; R882-D885 PolarHBondContact O-N 3.33Å; T883-D885 VanDerWaalsContact C-N 3.33Å; T883-D885 PolarHBondContact O-N 3.11Å; D885-R888 PolarHBondContact O-N 3.04Å; D885-R888 IonicContact OD1-CZ 2.66Å; D885-R888 VanDerWaalsContact OD1-CZ 3.25Å; D885-R888 IonicContact OD1-NH1 3.95Å; D885-R888 PolarHBondContact OD1-NH1 3.38Å; D885-R888 IonicContact OD1-NH2 2.75Å; D885-R888 PolarHBondContact OD1-NH2 3.15Å; D885-R888 VanDerWaalsContact OD1-NH2 3.1Å; D885-K889 WeakPolarHBondContact O-CG 3.21Å; D885-K889 PolarHBondContact O-N 3.06Å
886	L	73.6	Confident	66.9	Low	78 Å²	78	109.2 Å²	109.2	41%	0.408	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-45.7	170.2	-74.9	169.3	0	0	0	111.4	R882 T883 R888 K889 L890	R882-L886 WeakPolarHBondContact O-CG 3.31Å; R882-L886 PolarHBondContact O-N 2.64Å; T883-L886 PolarHBondContact O-N 3.39Å; L886-R888 VanDerWaalsContact C-N 3.33Å; L886-R888 PolarHBondContact O-N 3.44Å; L886-K889 PolarHBondContact O-N 3.02Å; L886-L890 WeakPolarHBondContact O-CG 3.44Å; L886-L890 PolarHBondContact O-N 3.17Å
887	F	70.7	Confident	66.6	Low	119 Å²	119	112.2 Å²	112.2	52%	0.522	53%	0.533	S	S	.	.	H	α-helix	trans	-61.5	-38.7	173.1	-79.6	-59.6	0	0	0	112.4	M714 T883 A884 L890 K891	M714-F887 HydrophobicContact SD-CZ 4.26Å; T883-F887 HydrophobicContact CG2-CD2 3.71Å; T883-F887 HydrophobicContact CG2-CE2 3.49Å; T883-F887 VanDerWaalsContact CG2-CE2 3.49Å; T883-F887 VanDerWaalsContact O-CD2 3.3Å; T883-F887 WeakPolarHBondContact O-CD2 3.5Å; T883-F887 PolarHBondContact O-N 3Å; A884-F887 PolarHBondContact O-N 2.96Å; F887-L890 HydrophobicContact CD1-CD1 4.45Å; F887-L890 PolarHBondContact O-N 3.38Å; F887-K891 WeakPolarHBondContact O-CB 3.5Å; F887-K891 PolarHBondContact O-N 2.95Å
888	R	75.2	Confident	66	Low	136 Å²	136	114.6 Å²	114.6	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-62.7	-44	174.9	-157.4	-175.7	-57.9	112.9	12.9	111.2	A884 D885 L886 L890 K891 H892	A884-R888 PolarHBondContact O-N 3.16Å; D885-R888 PolarHBondContact O-N 3.04Å; D885-R888 IonicContact OD1-CZ 2.66Å; D885-R888 VanDerWaalsContact OD1-CZ 3.25Å; D885-R888 IonicContact OD1-NH1 3.95Å; D885-R888 PolarHBondContact OD1-NH1 3.38Å; D885-R888 IonicContact OD1-NH2 2.75Å; D885-R888 PolarHBondContact OD1-NH2 3.15Å; D885-R888 VanDerWaalsContact OD1-NH2 3.1Å; L886-R888 VanDerWaalsContact C-N 3.33Å; L886-R888 PolarHBondContact O-N 3.44Å; R888-L890 PolarHBondContact O-N 3.37Å; R888-K891 PolarHBondContact O-N 3.37Å; R888-H892 PolarHBondContact O-CD2 3.23Å; R888-H892 VanDerWaalsContact O-CD2 3.23Å; R888-H892 PolarHBondContact O-N 3.46Å; R888-H892 VanDerWaalsContact O-N 3.11Å
889	K	73.9	Confident	65.4	Low	155 Å²	155	118.3 Å²	118.3	67%	0.674	56%	0.557	S	S	*	*	H	α-helix	trans	-62	-39.4	174.6	-73.3	170	-178.5	176	0	112.8	D885 L886	D885-K889 WeakPolarHBondContact O-CG 3.21Å; D885-K889 PolarHBondContact O-N 3.06Å; L886-K889 PolarHBondContact O-N 3.02Å
890	L	68.1	Low	64.9	Low	96 Å²	96	124.1 Å²	124.1	50%	0.503	58%	0.583	S	S	.	*	H	α-helix	trans	-68.1	-35.2	175.5	-72.6	169.1	0	0	0	112.7	L886 F887 R888	L886-L890 WeakPolarHBondContact O-CG 3.44Å; L886-L890 PolarHBondContact O-N 3.17Å; F887-L890 HydrophobicContact CD1-CD1 4.45Å; F887-L890 PolarHBondContact O-N 3.38Å; R888-L890 PolarHBondContact O-N 3.37Å
891	K	66.6	Low	64.3	Low	190 Å²	190	126.1 Å²	126.1	83%	0.826	59%	0.59	S	S	*	*	H	α-helix	trans	-73	-30.8	179.3	-153.5	172.5	-173.5	179.8	0	112.3	F887 R888 K893	F887-K891 WeakPolarHBondContact O-CB 3.5Å; F887-K891 PolarHBondContact O-N 2.95Å; R888-K891 PolarHBondContact O-N 3.37Å; K891-K893 PolarHBondContact O-N 3.4Å
892	H	55.5	Low	63.2	Low	139 Å²	139	126.1 Å²	126.1	64%	0.644	59%	0.593	S	S	*	*			trans	-91	70.4	173.4	-67.8	-72.5	0	0	0	112.9	R888	R888-H892 PolarHBondContact O-CD2 3.23Å; R888-H892 VanDerWaalsContact O-CD2 3.23Å; R888-H892 PolarHBondContact O-N 3.46Å; R888-H892 VanDerWaalsContact O-N 3.11Å
893	K	42.5	Very low	62.1	Low	173 Å²	173	128.3 Å²	128.3	75%	0.752	61%	0.61	S	S	*	*			trans	-65.6	130.6	152.6	-83.1	-166.8	174.1	-172.5	0	108.6	K891	K891-K893 PolarHBondContact O-N 3.4Å
894	P	43.1	Very low	61.2	Low	110 Å²	110	135.8 Å²	135.8	71%	0.714	64%	0.643	S	S	*	*			trans	-63.7	139.1	170.9	27.6	-33.4	0	0	0	109.6	H896	P894-H896 PolarHBondContact O-N 3.07Å
895	K	41.5	Very low	60.1	Low	203 Å²	203	143.3 Å²	143.3	88%	0.883	66%	0.664	S	S	*	*			trans	-86.7	97.8	168	-72	-178.6	178.1	178.2	0	108.4
896	H	35.7	Very low	58.8	Low	254 Å²	254	150.3 Å²	150.3	100%	1.176	69%	0.692	S	S	*	*			trans	-139.7	0	167.1	-89.3	-56.9	0	0	0	108.9	P894	P894-H896 PolarHBondContact O-N 3.07Å

Retrieved 896 of 896 residues in 609.8 ms (Link to these results)

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