A0A077Z035_TRITR Loading...

FancD2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z035, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,091 aa.

						>A0A077Z035_TRITR|A0A077Z035
MYRRLPNSRLAITALHSPKFSPDQNGIEITSNGVSSEQKDAPEEYFTNEEPVDNASTLSLPPLNFTSSASADPKDLYELLDNCGLTLSICSEKPSQLRKLNSYFFFTKVERGFAGINHFKFTKNVVTATSNENVAEPSIAQRLFSIGHKLCMQSEDSKNELLETMLNQFRYLECVANSEVLVSCLLNFAMVAPRWLLEEIFYCIAEVVADEQHDCTGSKLWYVLVCGTTTELSCCSELMEEKPELTEFIADTFACLSLSDDVAIEKNIQLKEKLSNSIPSMDANQLTSALSFLLQCQSLSDAKTVILQLRGNVTTEKFFTGRVPDIFESAVRFRRYFDEAVAKVYDRKRFLSLIGNVPLQAFDLYLLLLLLKTRYQRSARLIIRVHVREGRVGLQLISEIFRYQEYLTSLLPDLLEFVGEIFEASEENLTQFASAMYAAIFMMCSDMQKEGLLDLVPRFNLAQIRLCLHIITTVAFFDTQGCASLMGHFAQVAKTTMESLECCQVESEQYPKVLTLCPLIRFLGNYLLSKEEQPSELLHLVGLERGDEDEGRQRIFARSFQIGCSFVNGKRLDNLSFERKKANDEQTAHSDLEEASGDDETEQSVDSKDSTGLKCASDKVVSVNPSLFREYDIAVFRLLNLDVTFKQTGDCSLKEISIDGLEHLVGDLDKKMESRVADANKQLWWLKNVDDCVSTRFKQLPNEELQQFLSFVVPLLYKHLEEVKENFCYEQLPFKALIDSYDGLLDHPNSSILKSDDLSDTFMNNEEASEENKVEVTALYLLQFTDLCRTFSAASRLLQLVRMLAESFPNKVMKEAIGGSCLGVLKRHWPVESSWLVFSRHVSYLLNICLWSQEENNTLKFLEDLTLKSIGEALESDCFESTTYQTFRKETLHTWYQFLLVTLCDDARKAERRLSALSTQEKFVVWALSVRLFRFLTCSVLPKVHKSTILRTAIKVAPTYVTAFTNSAIRLLDINFEELLDHVRPILQAMQQSTRTLQNMCTQLKANKDKTLIKFVPTCKRTLEEFVFRVKAMMAANKCLDAMQIANLKTRNLKGEDIVPSSTEEEEDNGSHDSGDAKSDEEAESTEDEEQ
					

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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	29.3	Very low	26.2	Very low	247 Å²	247	181.2 Å²	181.2	100%	1.217	89%	0.885	S	S	*	*				0	121.7	0	-80.8	-174.4	-169.8	0	0	108.6
2	Y	23.5	Very low	26	Very low	208 Å²	208	178.8 Å²	178.8	82%	0.816	88%	0.876	S	S	*	*			trans	-72.1	126.5	174.8	-85.3	-97.2	0	0	0	110.6
3	R	26.7	Very low	26	Very low	248 Å²	248	175.5 Å²	175.5	94%	0.936	87%	0.873	S	S	*	*			trans	-128.3	98.5	151.6	-85.2	-171.9	178.4	178.2	0.3	108.2
4	R	24.1	Very low	26	Very low	224 Å²	224	170.1 Å²	170.1	85%	0.845	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-80.5	121.6	162.4	-77.7	179.6	172	176.1	-2.6	107.2
5	L	26.9	Very low	25.9	Very low	168 Å²	168	170.6 Å²	170.6	88%	0.88	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-96.1	148.2	159.3	-89.4	149	0	0	0	108.9
6	P	27.5	Very low	26.1	Very low	110 Å²	110	171.9 Å²	171.9	71%	0.714	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-103.4	157.7	-156.2	16.5	4.3	0	0	0	114.1	S8	P6-S8 PolarHBondContact O-N 3.43Å
7	N	26.3	Very low	25.9	Very low	154 Å²	154	167.4 Å²	167.4	82%	0.824	86%	0.862	S	S	*	*			trans	-24.3	116.9	161.1	-64.5	-37	0	0	0	116.2
8	S	26.8	Very low	26.1	Very low	122 Å²	122	164.9 Å²	164.9	85%	0.853	86%	0.859	S	S	*	*			trans	-113.5	77.5	151	59	0	0	0	0	109	P6	P6-S8 PolarHBondContact O-N 3.43Å
9	R	24.5	Very low	26	Very low	233 Å²	233	166.2 Å²	166.2	88%	0.879	86%	0.857	S	S	*	*			trans	-93.8	96.5	162	-85.4	-176.1	173	-177.9	-2	107.4
10	L	26.9	Very low	25.9	Very low	177 Å²	177	168.1 Å²	168.1	93%	0.927	86%	0.859	S	S	*	*			trans	-162.2	83.2	167.4	-107.2	158.5	0	0	0	108.5
11	A	25.8	Very low	25.9	Very low	102 Å²	102	164.6 Å²	164.6	84%	0.843	85%	0.849	S	S	*	*			trans	-165.2	74.2	159.7	0	0	0	0	0	108
12	I	24.1	Very low	25.7	Very low	153 Å²	153	158.6 Å²	158.6	79%	0.785	83%	0.829	S	S	*	*			trans	-109.4	143.3	164.5	-67.1	176.1	0	0	0	105.8
13	T	25.8	Very low	25.9	Very low	135 Å²	135	156.6 Å²	156.6	83%	0.828	83%	0.832	S	S	*	*			trans	74.6	94.2	162.5	31.7	0	0	0	0	119.2
14	A	26.5	Very low	25.8	Very low	101 Å²	101	153.5 Å²	153.5	84%	0.835	83%	0.828	S	S	*	*			trans	-154.9	63.3	141.2	0	0	0	0	0	110
15	L	24.5	Very low	26	Very low	177 Å²	177	150.5 Å²	150.5	93%	0.927	83%	0.829	S	S	*	*			trans	-110.6	85.5	168.3	-89.4	161.1	0	0	0	107.3
16	H	28	Very low	25.8	Very low	191 Å²	191	145.7 Å²	145.7	88%	0.884	82%	0.82	S	S	*	*			trans	-98.8	105.1	168	-96.6	-68.6	0	0	0	109.1
17	S	24.1	Very low	25.7	Very low	95 Å²	95	147.8 Å²	147.8	66%	0.664	82%	0.824	S	S	*	*			trans	-71.6	128.1	164.3	54	0	0	0	0	110.8
18	P	28.9	Very low	25.5	Very low	123 Å²	123	149.4 Å²	149.4	80%	0.799	83%	0.826	S	S	*	*			trans	-90.1	113.3	155.4	18.3	-1.7	0	0	0	108.6
19	K	23.8	Very low	25.4	Very low	189 Å²	189	151.1 Å²	151.1	82%	0.822	82%	0.824	S	S	*	*			trans	-76.6	123.4	163.1	-71.7	174.5	174.4	178	0	107.7
20	F	24.5	Very low	25.4	Very low	205 Å²	205	145.6 Å²	145.6	90%	0.899	82%	0.817	S	S	*	*			trans	-139.2	129.3	149.9	-106.3	-83.7	0	0	0	108.9
21	S	25.4	Very low	25.2	Very low	94 Å²	94	142 Å²	142	66%	0.657	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.2	159.2	-169.6	40.1	0	0	0	0	113.2
22	P	24.1	Very low	25.2	Very low	122 Å²	122	144.9 Å²	144.9	79%	0.792	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-89	126.6	178	34.4	-28	0	0	0	110.6
23	D	28.3	Very low	25.1	Very low	165 Å²	165	141.2 Å²	141.2	88%	0.882	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-98.6	122.2	168	-91.5	-30.9	0	0	0	110.5
24	Q	24.8	Very low	25.1	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73	126.7	167.8	-66	172.1	-27.8	0	0	108.8
25	N	29.3	Very low	25	Very low	162 Å²	162	141.4 Å²	141.4	87%	0.866	80%	0.802	S	S	*	*			trans	-146.3	96.8	150.3	-96.2	-25.3	0	0	0	107.2
26	G	22.6	Very low	24.9	Very low	67 Å²	67	138 Å²	138	69%	0.691	79%	0.793	S	S	*	*			trans	-76.6	148.9	158	0	0	0	0	0	109.3
27	I	25.2	Very low	24.9	Very low	153 Å²	153	138.5 Å²	138.5	79%	0.785	80%	0.795	S	S	*	*			trans	-153.2	105.4	142.4	-86.4	136.8	0	0	0	104.9	I29	I27-I29 HydrophobicContact CG2-CD1 4.3Å; I27-I29 HydrophobicContact CG2-CG1 3.98Å
28	E	21.3	Very low	24.8	Very low	189 Å²	189	142.2 Å²	142.2	88%	0.883	80%	0.803	S	S	*	*			trans	-75.6	130.5	156.3	-69.9	173.4	139.3	0	0	107.7
29	I	24.4	Very low	24.5	Very low	157 Å²	157	144.9 Å²	144.9	81%	0.805	80%	0.802	S	S	*	*			trans	-138.3	125.4	150.9	-59.5	-176.9	0	0	0	108.6	I27	I27-I29 HydrophobicContact CG2-CD1 4.3Å; I27-I29 HydrophobicContact CG2-CG1 3.98Å
30	T	25.2	Very low	24.7	Very low	117 Å²	117	143 Å²	143	72%	0.718	80%	0.8	S	S	*	*			trans	-74.7	146.3	-176.2	47.5	0	0	0	0	114.1
31	S	21.8	Very low	24.5	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	80%	0.795	S	S	*	*			trans	32.5	121.4	142.4	66.8	0	0	0	0	119.9
32	N	27	Very low	24.6	Very low	163 Å²	163	138.3 Å²	138.3	87%	0.872	80%	0.796	S	S	*	*			trans	-158.2	119.2	133	-94.1	-25	0	0	0	109.8
33	G	22.4	Very low	24.6	Very low	76 Å²	76	140.3 Å²	140.3	78%	0.784	80%	0.795	S	S	*	*			trans	-80.5	138.8	166.5	0	0	0	0	0	110.2
34	V	26.1	Very low	24.3	Very low	144 Å²	144	140.4 Å²	140.4	87%	0.873	79%	0.79	S	S	*	*			trans	-138.7	123.4	158.1	178.5	0	0	0	0	107.5
35	S	23.4	Very low	24.3	Very low	97 Å²	97	143 Å²	143	68%	0.678	79%	0.794	S	S	*	*			trans	-78.2	148.1	177.4	47.7	0	0	0	0	112.6
36	S	22.4	Very low	23.9	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	79%	0.788	S	S	*	*			trans	54.6	100.1	143	64.7	0	0	0	0	118.8
37	E	27.3	Very low	23.9	Very low	201 Å²	201	145.4 Å²	145.4	94%	0.939	79%	0.787	S	S	*	*			trans	-125.4	122.1	147.6	-84.5	-177.2	158.1	0	0	109.6
38	Q	22	Very low	23.9	Very low	174 Å²	174	145.9 Å²	145.9	81%	0.813	79%	0.791	S	S	*	*			trans	-82.5	159.7	169.5	-68.2	176	-52.4	0	0	109.7
39	K	22.8	Very low	23.9	Very low	179 Å²	179	146 Å²	146	78%	0.778	79%	0.792	S	S	*	*			trans	78.6	131.8	168.7	-55.1	177.3	174.6	178	0	112.7
40	D	27.7	Very low	23.8	Very low	149 Å²	149	147.5 Å²	147.5	80%	0.797	80%	0.796	S	S	*	*			cis	-153.7	153.2	43.6	-85.6	-57.6	0	0	0	111.2
41	A	22.1	Very low	23.8	Very low	94 Å²	94	147.7 Å²	147.7	78%	0.777	80%	0.798	S	S	*	*			trans	-64.9	148.9	161.2	0	0	0	0	0	110.6
42	P	27.2	Very low	23.9	Very low	106 Å²	106	149.6 Å²	149.6	69%	0.688	81%	0.806	S	S	*	*				-145.4	143.5	117.9	28.1	-8.5	0	0	0	115.1
43	E	23.7	Very low	23.6	Very low	165 Å²	165	149 Å²	149	77%	0.771	80%	0.802	S	S	*	*			trans	74	95.8	132.6	-64.4	171.6	-176.8	0	0	119.8
44	E	21.2	Very low	23.6	Very low	167 Å²	167	153.5 Å²	153.5	78%	0.78	81%	0.808	S	S	*	*				37.3	96.2	114	-63.4	-175.9	175.6	0	0	117.4
45	Y	24.8	Very low	23.4	Very low	236 Å²	236	151 Å²	151	93%	0.925	80%	0.803	S	S	*	*			trans	-114.6	103.3	141.1	-84.2	-87.3	0	0	0	109.1
46	F	21.6	Very low	23.3	Very low	171 Å²	171	151.1 Å²	151.1	75%	0.75	80%	0.804	S	S	*	*			trans	-76.8	157.6	170.4	-119.1	-88.3	0	0	0	110.7
47	T	23.2	Very low	23.2	Very low	110 Å²	110	152.7 Å²	152.7	68%	0.675	81%	0.809	S	S	*	*			trans	74.1	100.2	161.3	61.1	0	0	0	0	118.4
48	N	25	Very low	22.8	Very low	162 Å²	162	150.8 Å²	150.8	87%	0.866	81%	0.805	S	S	*	*				-166.7	96.1	103	-87.6	-25.9	0	0	0	109.6
49	E	21.4	Very low	22.8	Very low	193 Å²	193	147.9 Å²	147.9	90%	0.902	80%	0.803	S	S	*	*			trans	-76.4	118.9	161.2	-69.1	177.9	155.6	0	0	108.2
50	E	22.2	Very low	22.8	Very low	188 Å²	188	145.7 Å²	145.7	88%	0.879	80%	0.8	S	S	*	*			trans	-114.1	126.5	147.7	-85	-170.8	165.6	0	0	107.7
51	P	24.7	Very low	22.5	Very low	120 Å²	120	143.4 Å²	143.4	78%	0.779	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-82.9	126.6	-173.1	32.7	-31.1	0	0	0	109.9
52	V	23.4	Very low	22.6	Very low	142 Å²	142	144.8 Å²	144.8	86%	0.861	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-99	126.9	160.7	179.2	0	0	0	0	107.4
53	D	22.1	Very low	22.4	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-48.1	136.9	-167.4	-74.2	-55.3	0	0	0	115.5	A55	D53-A55 VanDerWaalsContact C-N 3.32Å; D53-A55 PolarHBondContact O-N 3.01Å
54	N	21.9	Very low	22.3	Very low	170 Å²	170	144.4 Å²	144.4	91%	0.909	79%	0.791	S	S	*	*			trans	-57.3	88.9	163.9	-70.4	-45.5	0	0	0	110.5	S56	N54-S56 PolarHBondContact O-N 2.86Å
55	A	21.5	Very low	22.4	Very low	91 Å²	91	142.4 Å²	142.4	75%	0.752	78%	0.78	S	S	*	*			trans	-76.3	81	160.5	0	0	0	0	0	109.1	D53 T57	D53-A55 VanDerWaalsContact C-N 3.32Å; D53-A55 PolarHBondContact O-N 3.01Å; A55-T57 PolarHBondContact O-N 3.39Å
56	S	21.1	Very low	22.3	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	77%	0.773	S	S	*	*			trans	41	75.5	145.4	50.4	0	0	0	0	117.1	N54 L58	N54-S56 PolarHBondContact O-N 2.86Å; S56-L58 PolarHBondContact O-N 3.42Å; S56-L58 VanDerWaalsContact O-N 3.08Å
57	T	20.3	Very low	22.5	Very low	138 Å²	138	134.8 Å²	134.8	85%	0.847	78%	0.777	S	S	*	*			trans	-62.5	99.9	151.6	22.6	0	0	0	0	108.6	A55 S59	A55-T57 PolarHBondContact O-N 3.39Å; T57-S59 VanDerWaalsContact C-N 3.28Å; T57-S59 PolarHBondContact O-N 3.08Å
58	L	19.8	Very low	22.6	Very low	162 Å²	162	134.5 Å²	134.5	85%	0.848	78%	0.779	S	S	*	*			trans	-66.6	89.9	168.4	-82.8	161.5	0	0	0	108.7	S56 L60	S56-L58 PolarHBondContact O-N 3.42Å; S56-L58 VanDerWaalsContact O-N 3.08Å; L58-L60 PolarHBondContact O-N 3.4Å
59	S	21.5	Very low	22.8	Very low	112 Å²	112	131 Å²	131	78%	0.783	77%	0.773	S	S	*	*			trans	-68.4	103.2	169	57	0	0	0	0	109.2	T57	T57-S59 VanDerWaalsContact C-N 3.28Å; T57-S59 PolarHBondContact O-N 3.08Å
60	L	22.2	Very low	23.1	Very low	134 Å²	134	127.1 Å²	127.1	70%	0.702	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-72.8	140.7	169.3	-90.9	135.9	0	0	0	110.3	L58	L58-L60 PolarHBondContact O-N 3.4Å
61	P	22.5	Very low	23.6	Very low	100 Å²	100	121 Å²	121	65%	0.649	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-69.2	151.1	-178.7	8.2	0.6	0	0	0	112.1	L63	P61-L63 PolarHBondContact O-N 3.18Å
62	P	23.2	Very low	24	Very low	123 Å²	123	119.9 Å²	119.9	80%	0.799	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-69.6	116.3	178.5	27.8	-32.1	0	0	0	110.7
63	L	22.2	Very low	24.4	Very low	109 Å²	109	115.5 Å²	115.5	57%	0.571	71%	0.71	S	S	*	*			trans	-88	111.2	175.1	-74.9	167.7	0	0	0	110.1	P61 F65	P61-L63 PolarHBondContact O-N 3.18Å; L63-F65 HydrophobicContact CB-CD2 4.19Å; L63-F65 HydrophobicContact CB-CE2 3.82Å; L63-F65 HydrophobicContact CD1-CE2 4.21Å; L63-F65 PolarHBondContact O-N 2.88Å
64	N	21.9	Very low	25	Very low	154 Å²	154	115.8 Å²	115.8	82%	0.824	71%	0.705	S	S	*	*			trans	-81.7	98	171.7	-82.6	-24.6	0	0	0	109.5
65	F	23.8	Very low	25.7	Very low	126 Å²	126	110.5 Å²	110.5	55%	0.553	68%	0.676	S	S	*	*			trans	-88.4	105.9	166.5	-74.8	-79	0	0	0	109.1	L63 D75 L79	L63-F65 HydrophobicContact CB-CD2 4.19Å; L63-F65 HydrophobicContact CB-CE2 3.82Å; L63-F65 HydrophobicContact CD1-CE2 4.21Å; L63-F65 PolarHBondContact O-N 2.88Å; F65-D75 HydrophobicContact CE1-CB 4.47Å; F65-L79 HydrophobicContact CE2-CD1 4.47Å; F65-L79 HydrophobicContact CZ-CD1 4.4Å
66	T	23.5	Very low	26.4	Very low	129 Å²	129	108.9 Å²	108.9	79%	0.791	66%	0.655	S	S	*	*			trans	-71.1	127.4	173.7	49.1	0	0	0	0	110	S68	T66-S68 PolarHBondContact O-N 3.2Å; T66-S68 VanDerWaalsContact O-N 3.1Å
67	S	25	Very low	27.1	Very low	118 Å²	118	110.9 Å²	110.9	83%	0.825	65%	0.648	S	S	*	*	S	Bend	trans	-50	100.9	178.5	59	0	0	0	0	114.1
68	S	25.7	Very low	27.9	Very low	104 Å²	104	109.7 Å²	109.7	73%	0.727	63%	0.633	S	S	*	*			trans	174.4	127.3	148.4	52.6	0	0	0	0	111.3	T66	T66-S68 PolarHBondContact O-N 3.2Å; T66-S68 VanDerWaalsContact O-N 3.1Å
69	A	27.9	Very low	28.5	Very low	89 Å²	89	104.7 Å²	104.7	74%	0.736	61%	0.607	S	S	*	*	S	Bend	trans	60.5	117.6	145.9	0	0	0	0	0	118.4
70	S	29.3	Very low	29.1	Very low	111 Å²	111	101.2 Å²	101.2	78%	0.776	58%	0.579	S	S	*	*			trans	48.6	90.9	163.9	64.1	0	0	0	0	114.3	D72	S70-D72 PolarHBondContact O-N 2.87Å
71	A	31.8	Very low	29.7	Very low	60 Å²	60	99.1 Å²	99.1	50%	0.496	57%	0.569	S	S	.	*			trans	-54.1	108.6	169	0	0	0	0	0	108.4	L161	A71-L161 HydrophobicContact CB-CD1 4.33Å
72	D	33.5	Very low	30.3	Very low	96 Å²	96	98.2 Å²	98.2	51%	0.513	56%	0.558	S	S	.	*			trans	-60.8	135.9	179.7	-148.2	-3.4	0	0	0	105.3	S70 K74 D75	S70-D72 PolarHBondContact O-N 2.87Å; D72-K74 CarbonylContact O-C 3.57Å; D72-K74 PolarHBondContact O-N 3.04Å; D72-D75 WeakPolarHBondContact O-CB 3.44Å; D72-D75 PolarHBondContact O-N 2.85Å
73	P	32	Very low	30.8	Very low	49 Å²	49	94.4 Å²	94.4	32%	0.318	53%	0.534	S	S	.	.	H	α-helix	trans	-53.9	-14.3	-179.4	13.2	-28.4	0	0	0	114.2	L76 Y77	P73-L76 WeakPolarHBondContact O-CB 3.47Å; P73-L76 PolarHBondContact O-N 2.79Å; P73-Y77 WeakPolarHBondContact O-CD2 2.94Å; P73-Y77 PolarHBondContact O-N 2.66Å
74	K	34.9	Very low	31.1	Very low	157 Å²	157	90.8 Å²	90.8	68%	0.683	52%	0.523	S	S	*	.	H	α-helix	trans	-63.7	-41	166.8	-76.6	-176.9	176.1	177.1	0	114	D72 L76 Y77 E78	D72-K74 CarbonylContact O-C 3.57Å; D72-K74 PolarHBondContact O-N 3.04Å; K74-L76 VanDerWaalsContact C-N 3.25Å; K74-L76 PolarHBondContact O-N 2.73Å; K74-Y77 WeakPolarHBondContact O-CB 3.44Å; K74-Y77 PolarHBondContact O-N 2.89Å; K74-E78 WeakPolarHBondContact O-CB 3.44Å; K74-E78 PolarHBondContact O-N 2.71Å
75	D	37	Very low	31.4	Very low	58 Å²	58	85.7 Å²	85.7	31%	0.31	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-34.9	176.3	-62.7	-27	0	0	0	110.2	F65 D72 E78 L79	F65-D75 HydrophobicContact CE1-CB 4.47Å; D72-D75 WeakPolarHBondContact O-CB 3.44Å; D72-D75 PolarHBondContact O-N 2.85Å; D75-E78 PolarHBondContact O-N 3.01Å; D75-L79 WeakPolarHBondContact O-CB 3.29Å; D75-L79 PolarHBondContact O-N 3.01Å
76	L	35.5	Very low	31.5	Very low	57 Å²	57	83 Å²	83	30%	0.298	49%	0.489	S	S	.	.	H	α-helix	trans	-63.6	-45.8	171.6	-107.7	169.2	0	0	0	111.9	P73 K74 E78 L79 L80 L161	P73-L76 WeakPolarHBondContact O-CB 3.47Å; P73-L76 PolarHBondContact O-N 2.79Å; K74-L76 VanDerWaalsContact C-N 3.25Å; K74-L76 PolarHBondContact O-N 2.73Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-L79 PolarHBondContact O-N 2.85Å; L76-L80 HydrophobicContact CD2-CD1 4.33Å; L76-L80 VanDerWaalsContact O-CB 3.3Å; L76-L80 WeakPolarHBondContact O-CB 2.97Å; L76-L80 WeakPolarHBondContact O-CD1 3.4Å; L76-L80 VanDerWaalsContact O-CG 3.22Å; L76-L80 WeakPolarHBondContact O-CG 2.94Å; L76-L80 PolarHBondContact O-N 2.86Å; L76-L161 HydrophobicContact CD1-CD2 3.84Å; L76-L161 HydrophobicContact CD2-CD2 3.82Å; L76-L161 HydrophobicContact CG-CD2 3.94Å
77	Y	35.5	Very low	31.5	Very low	142 Å²	142	82.8 Å²	82.8	56%	0.557	48%	0.483	S	S	*	.	H	α-helix	trans	-59.2	-47	173.4	-100.6	-84	0	0	0	110.5	P73 K74 L79 L80 D81 F119	P73-Y77 WeakPolarHBondContact O-CD2 2.94Å; P73-Y77 PolarHBondContact O-N 2.66Å; K74-Y77 WeakPolarHBondContact O-CB 3.44Å; K74-Y77 PolarHBondContact O-N 2.89Å; Y77-L79 VanDerWaalsContact C-N 3.35Å; Y77-L79 PolarHBondContact O-N 3.35Å; Y77-L80 PolarHBondContact O-N 2.84Å; Y77-D81 WeakPolarHBondContact O-CB 3.09Å; Y77-D81 PolarHBondContact O-N 2.82Å; Y77-F119 HydrophobicContact CD2-CE2 4.36Å; Y77-F119 HydrophobicContact CD2-CZ 4.1Å; Y77-F119 AromaticContact CE2-CE2 3.91Å; Y77-F119 HydrophobicContact CE2-CE2 3.91Å; Y77-F119 AromaticContact CE2-CZ 3.63Å; Y77-F119 HydrophobicContact CE2-CZ 3.63Å
78	E	36.3	Very low	31.5	Very low	113 Å²	113	80.7 Å²	80.7	53%	0.528	47%	0.469	S	S	.	.	H	α-helix	trans	-68	-34.1	-178.7	-153.9	173.3	-160.4	0	0	111.9	K74 D75 L76 N82	K74-E78 WeakPolarHBondContact O-CB 3.44Å; K74-E78 PolarHBondContact O-N 2.71Å; D75-E78 PolarHBondContact O-N 3.01Å; L76-E78 VanDerWaalsContact C-N 3.34Å; E78-N82 WeakPolarHBondContact O-CB 3.23Å; E78-N82 PolarHBondContact O-N 2.86Å; E78-N82 PolarHBondContact O-ND2 3.16Å
79	L	34.4	Very low	31.4	Very low	57 Å²	57	84.3 Å²	84.3	30%	0.298	48%	0.478	S	S	.	.	H	α-helix	trans	-73.1	-37.4	176.1	-153.8	145.8	0	0	0	111.6	F65 D75 L76 Y77 C83 I146	F65-L79 HydrophobicContact CE2-CD1 4.47Å; F65-L79 HydrophobicContact CZ-CD1 4.4Å; D75-L79 WeakPolarHBondContact O-CB 3.29Å; D75-L79 PolarHBondContact O-N 3.01Å; L76-L79 PolarHBondContact O-N 2.85Å; Y77-L79 VanDerWaalsContact C-N 3.35Å; Y77-L79 PolarHBondContact O-N 3.35Å; L79-C83 VanDerWaalsContact O-CB 3.25Å; L79-C83 WeakPolarHBondContact O-CB 3.49Å; L79-C83 PolarHBondContact O-N 3.49Å; L79-C83 PolarHBondContact O-SG 2.75Å; L79-I146 HydrophobicContact CD2-CD1 4.14Å; L79-I146 HydrophobicContact CD2-CG2 4.32Å
80	L	33.3	Very low	31.1	Very low	39 Å²	39	84.4 Å²	84.4	20%	0.204	47%	0.472	C	S	.	.	H	α-helix	trans	-71.2	-37.6	172.3	-71.4	167.1	0	0	0	112	L76 Y77 C83 G84 L85 F119	L76-L80 HydrophobicContact CD2-CD1 4.33Å; L76-L80 VanDerWaalsContact O-CB 3.3Å; L76-L80 WeakPolarHBondContact O-CB 2.97Å; L76-L80 WeakPolarHBondContact O-CD1 3.4Å; L76-L80 VanDerWaalsContact O-CG 3.22Å; L76-L80 WeakPolarHBondContact O-CG 2.94Å; L76-L80 PolarHBondContact O-N 2.86Å; Y77-L80 PolarHBondContact O-N 2.84Å; L80-C83 PolarHBondContact O-N 2.67Å; L80-G84 PolarHBondContact O-N 3Å; L80-L85 HydrophobicContact CB-CB 4.49Å; L80-L85 HydrophobicContact CD2-CB 4.23Å; L80-L85 HydrophobicContact CD2-CD1 3.59Å; L80-L85 WeakPolarHBondContact O-CB 3.33Å; L80-L85 PolarHBondContact O-N 3.33Å; L80-F119 HydrophobicContact CD1-CE1 4.35Å
81	D	34	Very low	30.9	Very low	91 Å²	91	84.6 Å²	84.6	49%	0.487	47%	0.474	S	S	.	.	H	α-helix	trans	-69.7	-45.8	177.7	-157.7	33.5	0	0	0	110.3	Y77 C83 G84 T86	Y77-D81 WeakPolarHBondContact O-CB 3.09Å; Y77-D81 PolarHBondContact O-N 2.82Å; D81-C83 VanDerWaalsContact C-N 3.26Å; D81-C83 PolarHBondContact O-N 3.43Å; D81-G84 PolarHBondContact O-N 3.44Å; D81-T86 WeakPolarHBondContact CA-OG1 3.4Å; D81-T86 HydrophobicContact CB-CG2 4.26Å; D81-T86 VanDerWaalsContact OD1-CB 3.23Å; D81-T86 WeakPolarHBondContact OD1-CB 3.3Å; D81-T86 WeakPolarHBondContact OD1-CG2 3.5Å; D81-T86 PolarHBondContact OD1-OG1 2.74Å
82	N	34.6	Very low	30.5	Very low	80 Å²	80	89.4 Å²	89.4	43%	0.428	49%	0.486	S	S	.	.	H	α-helix	trans	-66.8	-24.4	174	-72.6	-32.5	0	0	0	113.3	E78 G84	E78-N82 WeakPolarHBondContact O-CB 3.23Å; E78-N82 PolarHBondContact O-N 2.86Å; E78-N82 PolarHBondContact O-ND2 3.16Å; N82-G84 VanDerWaalsContact C-N 3.3Å
83	C	34.1	Very low	30.2	Very low	44 Å²	44	92.5 Å²	92.5	30%	0.297	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.1	171.8	-68.9	0	0	0	0	113.6	L79 L80 D81 L85 R142	L79-C83 VanDerWaalsContact O-CB 3.25Å; L79-C83 WeakPolarHBondContact O-CB 3.49Å; L79-C83 PolarHBondContact O-N 3.49Å; L79-C83 PolarHBondContact O-SG 2.75Å; L80-C83 PolarHBondContact O-N 2.67Å; D81-C83 VanDerWaalsContact C-N 3.26Å; D81-C83 PolarHBondContact O-N 3.43Å; C83-L85 VanDerWaalsContact C-N 3.27Å; C83-L85 HydrophobicContact CB-CD1 4.41Å; C83-L85 PolarHBondContact O-N 3.05Å; C83-R142 PolarHBondContact O-NH1 3.44Å
84	G	28.9	Very low	29.9	Very low	33 Å²	33	95.5 Å²	95.5	34%	0.34	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	24.4	178.5	0	0	0	0	0	114	L80 D81 N82 T86	L80-G84 PolarHBondContact O-N 3Å; D81-G84 PolarHBondContact O-N 3.44Å; N82-G84 VanDerWaalsContact C-N 3.3Å; G84-T86 VanDerWaalsContact C-N 3.34Å
85	L	29.2	Very low	29.6	Very low	46 Å²	46	93 Å²	93	24%	0.241	52%	0.516	C	S	.	.			trans	-84.5	-11.1	174.2	-78.7	158.8	0	0	0	112.4	L80 C83 L87 I139	L80-L85 HydrophobicContact CB-CB 4.49Å; L80-L85 HydrophobicContact CD2-CB 4.23Å; L80-L85 HydrophobicContact CD2-CD1 3.59Å; L80-L85 WeakPolarHBondContact O-CB 3.33Å; L80-L85 PolarHBondContact O-N 3.33Å; C83-L85 VanDerWaalsContact C-N 3.27Å; C83-L85 HydrophobicContact CB-CD1 4.41Å; C83-L85 PolarHBondContact O-N 3.05Å; L85-L87 PolarHBondContact O-N 3.3Å; L85-I139 HydrophobicContact CD2-CD1 4.43Å; L85-I139 HydrophobicContact CD2-CG1 3.83Å; L85-I139 HydrophobicContact CD2-CG2 4.25Å
86	T	25.2	Very low	29.1	Very low	69 Å²	69	98.2 Å²	98.2	42%	0.423	54%	0.539	S	S	.	.	S	Bend	trans	-77.6	54.3	154.8	45.2	0	0	0	0	109.6	D81 G84 S88	D81-T86 WeakPolarHBondContact CA-OG1 3.4Å; D81-T86 HydrophobicContact CB-CG2 4.26Å; D81-T86 VanDerWaalsContact OD1-CB 3.23Å; D81-T86 WeakPolarHBondContact OD1-CB 3.3Å; D81-T86 WeakPolarHBondContact OD1-CG2 3.5Å; D81-T86 PolarHBondContact OD1-OG1 2.74Å; G84-T86 VanDerWaalsContact C-N 3.34Å; T86-S88 PolarHBondContact O-N 2.83Å
87	L	24	Very low	28.6	Very low	125 Å²	125	101.5 Å²	101.5	65%	0.654	56%	0.556	S	S	*	*			trans	-56.3	109.1	165.2	-89.8	162.3	0	0	0	106.9	L85 I89	L85-L87 PolarHBondContact O-N 3.3Å; L87-I89 PolarHBondContact O-N 3.2Å
88	S	23.7	Very low	28.2	Very low	75 Å²	75	105.7 Å²	105.7	52%	0.524	57%	0.571	S	S	.	*				55.5	71.1	127.9	-45.8	0	0	0	0	111.6	T86 C90	T86-S88 PolarHBondContact O-N 2.83Å; S88-C90 PolarHBondContact O-N 2.93Å
89	I	23.7	Very low	27.6	Very low	179 Å²	179	109.7 Å²	109.7	92%	0.918	59%	0.587	S	S	*	*			trans	-58.2	70.8	143.5	-56.8	171.9	0	0	0	105.5	L87 S91	L87-I89 PolarHBondContact O-N 3.2Å; I89-S91 PolarHBondContact O-N 3.11Å
90	C	22.5	Very low	27	Very low	91 Å²	91	113 Å²	113	62%	0.615	60%	0.604	S	S	*	*			trans	-80.1	98.5	-172.6	-114.4	0	0	0	0	105.9	S88 E92	S88-C90 PolarHBondContact O-N 2.93Å; C90-E92 PolarHBondContact O-N 2.48Å
91	S	24.4	Very low	26.6	Very low	116 Å²	116	117.8 Å²	117.8	81%	0.811	63%	0.629	S	S	*	*			trans	-31.2	74.3	146.7	38.9	0	0	0	0	114.2	I89	I89-S91 PolarHBondContact O-N 3.11Å
92	E	24.6	Very low	26.1	Very low	160 Å²	160	118 Å²	118	75%	0.748	64%	0.638	S	S	*	*			trans	-130.5	97.7	164.1	-71.7	-157	154.3	0	0	112.9	C90	C90-E92 PolarHBondContact O-N 2.48Å
93	K	26.3	Very low	25.4	Very low	161 Å²	161	124.3 Å²	124.3	70%	0.7	66%	0.658	S	S	*	*			trans	63	91.6	150	-63.2	177.4	-176.1	164.5	0	116.9	S95	K93-S95 PolarHBondContact O-N 2.94Å
94	P	25.7	Very low	24.8	Very low	113 Å²	113	129 Å²	129	73%	0.734	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	9.6	-179.5	27.7	-33.7	0	0	0	115.9	L97	P94-L97 HydrophobicContact CB-CD1 4.45Å
95	S	28.7	Very low	24.4	Very low	104 Å²	104	137 Å²	137	73%	0.727	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-13.4	-178.1	41.8	0	0	0	0	114.9	K93	K93-S95 PolarHBondContact O-N 2.94Å
96	Q	26.6	Very low	24	Very low	167 Å²	167	142.9 Å²	142.9	78%	0.78	72%	0.723	S	S	*	*	S	Bend	trans	-90	-10.4	175.3	-69.4	-83.8	6.4	0	0	113.3	R98	Q96-R98 VanDerWaalsContact C-N 3.29Å; Q96-R98 PolarHBondContact O-N 3.37Å
97	L	25.2	Very low	23.8	Very low	126 Å²	126	144.9 Å²	144.9	66%	0.66	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-72	-8.6	-174.4	-83.6	164.6	0	0	0	115.7	P94 K99	P94-L97 HydrophobicContact CB-CD1 4.45Å; L97-K99 PolarHBondContact O-N 3.29Å
98	R	26	Very low	23.7	Very low	230 Å²	230	146.8 Å²	146.8	87%	0.868	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-74.7	-18.7	-177.8	-85.8	-170.7	-163.4	170.9	6.8	115	Q96	Q96-R98 VanDerWaalsContact C-N 3.29Å; Q96-R98 PolarHBondContact O-N 3.37Å
99	K	24.7	Very low	23.6	Very low	198 Å²	198	149.9 Å²	149.9	86%	0.861	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-90.7	-6.3	-175.7	-82.1	-173.4	175.5	-178.4	0	115.4	L97	L97-K99 PolarHBondContact O-N 3.29Å
100	L	21.7	Very low	23.4	Very low	127 Å²	127	147.3 Å²	147.3	67%	0.665	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-106.4	15.4	176.2	-91.4	152.4	0	0	0	113.5	S102	L100-S102 PolarHBondContact O-N 3.41Å
101	N	24.5	Very low	23.4	Very low	138 Å²	138	154.4 Å²	154.4	74%	0.738	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	20.4	-176.1	-148.3	15.9	0	0	0	114.4
102	S	23.3	Very low	23.3	Very low	96 Å²	96	152.6 Å²	152.6	67%	0.671	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	1.6	179.7	66.1	0	0	0	0	115.3	L100	L100-S102 PolarHBondContact O-N 3.41Å
103	Y	20.5	Very low	23.1	Very low	212 Å²	212	155.2 Å²	155.2	83%	0.831	76%	0.761	S	S	*	*	S	Bend	trans	-131.5	14.3	177.7	-86	-79.7	0	0	0	115.8	F105	Y103-F105 PolarHBondContact O-N 2.99Å
104	F	21.7	Very low	22.9	Very low	144 Å²	144	152.7 Å²	152.7	63%	0.632	77%	0.77	S	S	*	*			trans	-96.9	89.5	175.2	-85.4	-75.8	0	0	0	112.3	F106	F104-F106 AromaticContact CD1-CD2 3.64Å; F104-F106 HydrophobicContact CD1-CD2 3.64Å; F104-F106 AromaticContact CD1-CE2 3.78Å; F104-F106 HydrophobicContact CD1-CE2 3.78Å; F104-F106 HydrophobicContact CE1-CD2 4.15Å; F104-F106 AromaticContact CE1-CE2 3.78Å; F104-F106 HydrophobicContact CE1-CE2 3.78Å
105	F	19.9	Very low	22.8	Very low	199 Å²	199	150.6 Å²	150.6	87%	0.873	77%	0.769	S	S	*	*			trans	-90.6	87	156.7	-109.8	-91.7	0	0	0	108.5	Y103 T107	Y103-F105 PolarHBondContact O-N 2.99Å; F105-T107 HydrophobicContact CD1-CG2 4.43Å
106	F	21.9	Very low	22.5	Very low	170 Å²	170	152.1 Å²	152.1	75%	0.746	77%	0.767	S	S	*	*			trans	-93.7	98.8	161.4	-100.6	-76.8	0	0	0	108.4	F104 K108	F104-F106 AromaticContact CD1-CD2 3.64Å; F104-F106 HydrophobicContact CD1-CD2 3.64Å; F104-F106 AromaticContact CD1-CE2 3.78Å; F104-F106 HydrophobicContact CD1-CE2 3.78Å; F104-F106 HydrophobicContact CE1-CD2 4.15Å; F104-F106 AromaticContact CE1-CE2 3.78Å; F104-F106 HydrophobicContact CE1-CE2 3.78Å; F106-K108 PolarHBondContact O-N 3.32Å
107	T	21.2	Very low	22.4	Very low	112 Å²	112	151.4 Å²	151.4	69%	0.687	77%	0.769	S	S	*	*			trans	-89.9	91.2	160.7	41.6	0	0	0	0	109.1	F105 V109	F105-T107 HydrophobicContact CD1-CG2 4.43Å; T107-V109 PolarHBondContact O-N 3.09Å
108	K	20.5	Very low	22.3	Very low	164 Å²	164	151.9 Å²	151.9	71%	0.713	77%	0.767	S	S	*	*			trans	3.6	98.6	140.2	-158.8	177.7	-171.7	-165.8	0	115.2	F106 E110	F106-K108 PolarHBondContact O-N 3.32Å; K108-E110 WeakPolarHBondContact CE-OE1 3.19Å; K108-E110 HydrophobicContact CG-CG 4.42Å; K108-E110 IonicContact NZ-OE1 3.87Å; K108-E110 PolarHBondContact NZ-OE1 3.32Å
109	V	21.7	Very low	22.2	Very low	140 Å²	140	145 Å²	145	85%	0.848	74%	0.744	S	S	*	*			trans	-112	94.9	160.3	178.5	0	0	0	0	107.5	T107	T107-V109 PolarHBondContact O-N 3.09Å
110	E	20	Very low	22.2	Very low	126 Å²	126	142.1 Å²	142.1	59%	0.589	73%	0.731	S	S	*	*			trans	-74.1	141.5	163.6	-75.8	174.3	-179.2	0	0	109.3	K108	K108-E110 WeakPolarHBondContact CE-OE1 3.19Å; K108-E110 HydrophobicContact CG-CG 4.42Å; K108-E110 IonicContact NZ-OE1 3.87Å; K108-E110 PolarHBondContact NZ-OE1 3.32Å
111	R	22.3	Very low	22.6	Very low	239 Å²	239	141.3 Å²	141.3	90%	0.902	72%	0.723	S	S	*	*			trans	70.7	104.1	159.4	-64.3	175.1	177.3	175.1	-0.3	117.8
112	G	21.6	Very low	22.6	Very low	78 Å²	78	138.9 Å²	138.9	80%	0.804	71%	0.713	S	S	*	*			trans	-178.8	96	160.8	0	0	0	0	0	111.4
113	F	20.7	Very low	22.7	Very low	215 Å²	215	141.5 Å²	141.5	94%	0.943	71%	0.712	S	S	*	*			trans	-54.6	155.4	163.7	-97.6	-109.3	0	0	0	111.1
114	A	23.1	Very low	23.1	Very low	109 Å²	109	136 Å²	136	90%	0.901	70%	0.697	S	S	*	*			trans	81.1	91.1	168.6	0	0	0	0	0	116.6
115	G	22.8	Very low	23.4	Very low	68 Å²	68	131.8 Å²	131.8	70%	0.701	68%	0.683	S	S	*	*			trans	163.9	43.2	170.8	0	0	0	0	0	113.8	N117	G115-N117 PolarHBondContact O-N 3.22Å
116	I	22.5	Very low	23.8	Very low	136 Å²	136	125.9 Å²	125.9	70%	0.697	66%	0.663	S	S	*	*			trans	-80.5	73	175.1	-54.7	172.5	0	0	0	107.6
117	N	24.3	Very low	24.1	Very low	152 Å²	152	122 Å²	122	81%	0.813	65%	0.653	S	S	*	*			trans	-128.1	17	167.8	-93	-1.2	0	0	0	111.2	G115	G115-N117 PolarHBondContact O-N 3.22Å
118	H	23.6	Very low	24.5	Very low	137 Å²	137	120.6 Å²	120.6	63%	0.634	65%	0.653	S	S	*	*			trans	-130.2	71.3	-178.8	-85.5	31.8	0	0	0	109.3	K120	H118-K120 PolarHBondContact O-N 3.25Å
119	F	23.8	Very low	25	Very low	84 Å²	84	115 Å²	115	37%	0.368	63%	0.633	S	S	.	*			trans	-69.8	68.4	142.4	-111.7	-85.8	0	0	0	106.6	Y77 L80 F121 Q168	Y77-F119 HydrophobicContact CD2-CE2 4.36Å; Y77-F119 HydrophobicContact CD2-CZ 4.1Å; Y77-F119 AromaticContact CE2-CE2 3.91Å; Y77-F119 HydrophobicContact CE2-CE2 3.91Å; Y77-F119 AromaticContact CE2-CZ 3.63Å; Y77-F119 HydrophobicContact CE2-CZ 3.63Å; L80-F119 HydrophobicContact CD1-CE1 4.35Å; F119-F121 PolarHBondContact O-N 3.33Å; F119-Q168 PolarHBondContact O-OE1 3.04Å
120	K	24.4	Very low	25.4	Very low	139 Å²	139	113.3 Å²	113.3	60%	0.604	63%	0.627	S	S	*	*			trans	-69.1	117.6	156.5	-87.4	-178.8	174	173.4	0	103.3	H118 T122	H118-K120 PolarHBondContact O-N 3.25Å; K120-T122 PolarHBondContact O-N 3.29Å
121	F	29.3	Very low	26.1	Very low	110 Å²	110	114.9 Å²	114.9	48%	0.482	64%	0.64	S	S	.	*			trans	-48.5	101.6	149	-106.8	-98.8	0	0	0	104.3	F119 K123 V125	F119-F121 PolarHBondContact O-N 3.33Å; F121-K123 PolarHBondContact O-N 3.42Å; F121-V125 HydrophobicContact CD1-CB 3.75Å; F121-V125 HydrophobicContact CD1-CG1 4.12Å; F121-V125 HydrophobicContact CD1-CG2 3.42Å; F121-V125 VanDerWaalsContact CD1-CG2 3.42Å; F121-V125 HydrophobicContact CE1-CB 4.19Å; F121-V125 HydrophobicContact CE1-CG1 4.17Å; F121-V125 HydrophobicContact CE1-CG2 3.66Å
122	T	25.3	Very low	26.5	Very low	87 Å²	87	109 Å²	109	53%	0.534	62%	0.622	S	S	.	*			trans	-55	144.6	-174.7	40.8	0	0	0	0	105.5	K120 N124 V125	K120-T122 PolarHBondContact O-N 3.29Å; T122-N124 PolarHBondContact O-N 2.93Å; T122-V125 PolarHBondContact O-N 3.28Å
123	K	25.9	Very low	27.2	Very low	150 Å²	150	112 Å²	112	65%	0.652	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.5	-9.5	171.3	-129.3	173.2	-179.4	175.6	0	114.8	F121 T127	F121-K123 PolarHBondContact O-N 3.42Å; K123-T127 PolarHBondContact O-N 3.02Å; K123-T127 PolarHBondContact O-OG1 2.8Å
124	N	28.6	Very low	28.1	Very low	96 Å²	96	107 Å²	107	51%	0.513	61%	0.607	S	S	.	*	H	α-helix	trans	-79.9	-19.6	176	-66.2	-2.7	0	0	0	115.5	T122 T127 A128	T122-N124 PolarHBondContact O-N 2.93Å; N124-T127 WeakPolarHBondContact CA-OG1 3.3Å; N124-A128 WeakPolarHBondContact O-CA 3.35Å; N124-A128 WeakPolarHBondContact O-CB 3.38Å; N124-A128 PolarHBondContact O-N 3.06Å
125	V	28.3	Very low	28.9	Very low	56 Å²	56	102.6 Å²	102.6	34%	0.339	57%	0.571	S	S	.	*	H	α-helix	trans	-70.9	-42	169.1	176.5	0	0	0	0	109.5	F121 T122 T127 A128 T129	F121-V125 HydrophobicContact CD1-CB 3.75Å; F121-V125 HydrophobicContact CD1-CG1 4.12Å; F121-V125 HydrophobicContact CD1-CG2 3.42Å; F121-V125 VanDerWaalsContact CD1-CG2 3.42Å; F121-V125 HydrophobicContact CE1-CB 4.19Å; F121-V125 HydrophobicContact CE1-CG1 4.17Å; F121-V125 HydrophobicContact CE1-CG2 3.66Å; T122-V125 PolarHBondContact O-N 3.28Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 PolarHBondContact O-N 3.2Å; V125-A128 PolarHBondContact O-N 3.06Å; V125-T129 HydrophobicContact CG1-CG2 4.41Å; V125-T129 PolarHBondContact O-N 3.03Å; V125-T129 VanDerWaalsContact O-N 3.16Å; V125-T129 PolarHBondContact O-OG1 2.81Å
126	V	27.8	Very low	29.9	Very low	75 Å²	75	102.2 Å²	102.2	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-64.5	-30.9	175.5	-176.7	0	0	0	0	112.7
127	T	28.4	Very low	31.1	Very low	88 Å²	88	96.9 Å²	96.9	54%	0.54	53%	0.525	S	S	.	.	H	α-helix	trans	-94.8	-26.2	178.2	48.4	0	0	0	0	114.9	K123 N124 V125 S130	K123-T127 PolarHBondContact O-N 3.02Å; K123-T127 PolarHBondContact O-OG1 2.8Å; N124-T127 WeakPolarHBondContact CA-OG1 3.3Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 PolarHBondContact O-N 3.2Å; T127-S130 PolarHBondContact O-OG 2.99Å
128	A	28.9	Very low	32.5	Very low	83 Å²	83	92.3 Å²	92.3	69%	0.686	51%	0.505	S	S	*	.	H	α-helix	trans	-76.8	-24.2	175.8	0	0	0	0	0	112.5	N124 V125	N124-A128 WeakPolarHBondContact O-CA 3.35Å; N124-A128 WeakPolarHBondContact O-CB 3.38Å; N124-A128 PolarHBondContact O-N 3.06Å; V125-A128 PolarHBondContact O-N 3.06Å
129	T	30.5	Very low	33.8	Very low	48 Å²	48	87.5 Å²	87.5	29%	0.294	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	25.6	177.5	63.1	0	0	0	0	113.5	V125 N131 E132	V125-T129 HydrophobicContact CG1-CG2 4.41Å; V125-T129 PolarHBondContact O-N 3.03Å; V125-T129 VanDerWaalsContact O-N 3.16Å; V125-T129 PolarHBondContact O-OG1 2.81Å; T129-N131 PolarHBondContact O-N 3.24Å; T129-E132 PolarHBondContact O-N 3.38Å
130	S	31.7	Very low	35.4	Very low	103 Å²	103	83.9 Å²	83.9	72%	0.72	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-1.6	172.3	54.9	0	0	0	0	114.8	T127	T127-S130 PolarHBondContact O-OG 2.99Å
131	N	33.8	Very low	37	Very low	159 Å²	159	82.4 Å²	82.4	85%	0.85	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	8.6	170.8	-111.9	-3.4	0	0	0	116.1	T129	T129-N131 PolarHBondContact O-N 3.24Å
132	E	31.6	Very low	38.3	Very low	115 Å²	115	83.4 Å²	83.4	54%	0.537	47%	0.465	S	S	.	.			trans	-136.8	78.1	-178.5	-68.5	-173.6	178.5	0	0	112.2	T129 V134 A135	T129-E132 PolarHBondContact O-N 3.38Å; E132-V134 PolarHBondContact O-N 2.9Å; E132-A135 PolarHBondContact O-N 3.45Å
133	N	35.8	Very low	39.9	Very low	141 Å²	141	80.6 Å²	80.6	75%	0.754	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	3.1	160.7	-70.7	-12.6	0	0	0	113.7
134	V	39.7	Very low	41.6	Very low	111 Å²	111	74.3 Å²	74.3	67%	0.673	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-22.2	-173.8	-174.5	0	0	0	0	111.8	E132 P137	E132-V134 PolarHBondContact O-N 2.9Å; V134-P137 WeakPolarHBondContact O-CD 3.44Å; V134-P137 WeakPolarHBondContact O-CG 3.46Å
135	A	38.9	Very low	43.3	Very low	16 Å²	16	72.7 Å²	72.7	13%	0.132	42%	0.415	C	S	.	.	H	α-helix	trans	-74	-40.9	-172.6	0	0	0	0	0	112.9	E132 S138 I139	E132-A135 PolarHBondContact O-N 3.45Å; A135-S138 PolarHBondContact O-N 3.43Å; A135-S138 VanDerWaalsContact O-N 3.11Å; A135-S138 PolarHBondContact O-OG 2.92Å; A135-I139 HydrophobicContact CB-CD1 4.26Å; A135-I139 VanDerWaalsContact O-CG1 3.3Å; A135-I139 WeakPolarHBondContact O-CG1 3.35Å; A135-I139 PolarHBondContact O-N 2.87Å
136	E	45.1	Very low	44.8	Very low	61 Å²	61	71.3 Å²	71.3	29%	0.285	41%	0.406	S	S	.	.	H	α-helix	trans	-52.7	-52.5	-178.4	-95.9	-172.3	-175.7	0	0	114.8	S138 I139 A140 A176	E136-S138 VanDerWaalsContact C-N 3.25Å; E136-S138 PolarHBondContact O-N 3.38Å; E136-I139 PolarHBondContact O-N 3.19Å; E136-A140 WeakPolarHBondContact O-CB 3.37Å; E136-A140 PolarHBondContact O-N 3.03Å; E136-A176 HydrophobicContact CB-CB 4.29Å; E136-A176 WeakPolarHBondContact OE2-CA 3.24Å; E136-A176 WeakPolarHBondContact OE2-CB 3.33Å; E136-A176 PolarHBondContact OE2-N 3.21Å
137	P	46.8	Very low	46.5	Very low	24 Å²	24	67.9 Å²	67.9	16%	0.156	39%	0.385	C	S	.	.	H	α-helix	trans	-62.8	-33.5	179.3	19.4	-29.2	0	0	0	112.3	V134 Q141 V180	V134-P137 WeakPolarHBondContact O-CD 3.44Å; V134-P137 WeakPolarHBondContact O-CG 3.46Å; P137-Q141 VanDerWaalsContact O-CB 3.3Å; P137-Q141 WeakPolarHBondContact O-CB 3.25Å; P137-Q141 WeakPolarHBondContact O-CG 3.1Å; P137-Q141 PolarHBondContact O-N 2.87Å; P137-V180 HydrophobicContact CB-CB 4.26Å; P137-V180 HydrophobicContact CB-CG1 3.85Å; P137-V180 HydrophobicContact CB-CG2 4.48Å
138	S	54.4	Low	48.1	Very low	56 Å²	56	67.6 Å²	67.6	39%	0.392	38%	0.378	S	S	.	.	H	α-helix	trans	-69.8	-38.4	176.8	80.6	0	0	0	0	112.6	A135 E136 R142	A135-S138 PolarHBondContact O-N 3.43Å; A135-S138 VanDerWaalsContact O-N 3.11Å; A135-S138 PolarHBondContact O-OG 2.92Å; E136-S138 VanDerWaalsContact C-N 3.25Å; E136-S138 PolarHBondContact O-N 3.38Å; S138-R142 WeakPolarHBondContact O-CB 3.43Å; S138-R142 WeakPolarHBondContact O-CG 3.4Å; S138-R142 PolarHBondContact O-N 3.4Å
139	I	51.5	Low	49.8	Very low	35 Å²	35	69.9 Å²	69.9	18%	0.179	37%	0.372	C	S	.	.	H	α-helix	trans	-70	-45.6	177.2	-64.5	167.4	0	0	0	109.3	L85 A135 E136 R142 L143	L85-I139 HydrophobicContact CD2-CD1 4.43Å; L85-I139 HydrophobicContact CD2-CG1 3.83Å; L85-I139 HydrophobicContact CD2-CG2 4.25Å; A135-I139 HydrophobicContact CB-CD1 4.26Å; A135-I139 VanDerWaalsContact O-CG1 3.3Å; A135-I139 WeakPolarHBondContact O-CG1 3.35Å; A135-I139 PolarHBondContact O-N 2.87Å; E136-I139 PolarHBondContact O-N 3.19Å; I139-R142 PolarHBondContact O-N 3.34Å; I139-L143 HydrophobicContact CG2-CD1 3.76Å; I139-L143 HydrophobicContact CG2-CG 4.19Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 WeakPolarHBondContact O-CG 3.34Å; I139-L143 PolarHBondContact O-N 3.15Å
140	A	57.1	Low	51.3	Low	8 Å²	8	69.5 Å²	69.5	7%	0.066	37%	0.368	C	S	.	.	H	α-helix	trans	-55.5	-57.9	174.8	0	0	0	0	0	110.1	E136 R142 L143 F144 F169 L181	E136-A140 WeakPolarHBondContact O-CB 3.37Å; E136-A140 PolarHBondContact O-N 3.03Å; A140-R142 VanDerWaalsContact C-N 3.26Å; A140-R142 PolarHBondContact O-N 3.38Å; A140-L143 PolarHBondContact O-N 3.2Å; A140-L143 VanDerWaalsContact O-N 3.14Å; A140-F144 VanDerWaalsContact C-CD2 3.4Å; A140-F144 HydrophobicContact CB-CD2 4.22Å; A140-F144 HydrophobicContact CB-CE2 4.02Å; A140-F144 WeakPolarHBondContact O-CB 3.32Å; A140-F144 WeakPolarHBondContact O-CD2 3.27Å; A140-F144 WeakPolarHBondContact O-CG 3.22Å; A140-F144 PolarHBondContact O-N 3.38Å; A140-F169 HydrophobicContact CB-CE1 4.06Å; A140-F169 HydrophobicContact CB-CZ 4.41Å; A140-L181 HydrophobicContact CB-CD1 4.43Å
141	Q	57.5	Low	52.8	Low	108 Å²	108	65.2 Å²	65.2	51%	0.505	34%	0.338	S	S	.	.	H	α-helix	trans	-55.2	-39	178.7	-74.7	174.1	-2	0	0	113	P137 S145 V180	P137-Q141 VanDerWaalsContact O-CB 3.3Å; P137-Q141 WeakPolarHBondContact O-CB 3.25Å; P137-Q141 WeakPolarHBondContact O-CG 3.1Å; P137-Q141 PolarHBondContact O-N 2.87Å; Q141-S145 WeakPolarHBondContact O-CB 3.41Å; Q141-S145 PolarHBondContact O-N 3.46Å; Q141-V180 HydrophobicContact CG-CG1 4.31Å
142	R	56.7	Low	54	Low	131 Å²	131	63.8 Å²	63.8	49%	0.494	33%	0.328	S	S	.	.	H	α-helix	trans	-69.6	-46.6	175.7	-84	-179.6	173.6	-178.4	-0.6	112.9	C83 S138 I139 A140 F144 S145 I146	C83-R142 PolarHBondContact O-NH1 3.44Å; S138-R142 WeakPolarHBondContact O-CB 3.43Å; S138-R142 WeakPolarHBondContact O-CG 3.4Å; S138-R142 PolarHBondContact O-N 3.4Å; I139-R142 PolarHBondContact O-N 3.34Å; A140-R142 VanDerWaalsContact C-N 3.26Å; A140-R142 PolarHBondContact O-N 3.38Å; R142-F144 PolarHBondContact O-N 3.29Å; R142-S145 WeakPolarHBondContact O-CB 3.44Å; R142-S145 PolarHBondContact O-N 2.7Å; R142-S145 VanDerWaalsContact O-N 3.15Å; R142-I146 WeakPolarHBondContact O-CG1 3.41Å; R142-I146 PolarHBondContact O-N 2.96Å
143	L	58.5	Low	55.1	Low	28 Å²	28	65.8 Å²	65.8	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-39.7	175.4	-75.7	172.2	0	0	0	110.6	I139 A140 I146 G147 M165 F169	I139-L143 HydrophobicContact CG2-CD1 3.76Å; I139-L143 HydrophobicContact CG2-CG 4.19Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 WeakPolarHBondContact O-CG 3.34Å; I139-L143 PolarHBondContact O-N 3.15Å; A140-L143 PolarHBondContact O-N 3.2Å; A140-L143 VanDerWaalsContact O-N 3.14Å; L143-I146 PolarHBondContact O-N 3.1Å; L143-G147 PolarHBondContact O-N 3.5Å; L143-M165 HydrophobicContact CD2-CE 3.6Å; L143-F169 HydrophobicContact CB-CZ 4.19Å; L143-F169 HydrophobicContact CD1-CE2 4.28Å; L143-F169 HydrophobicContact CD1-CZ 3.75Å
144	F	62.2	Low	55.7	Low	18 Å²	18	60.3 Å²	60.3	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-70.4	-36.5	174.8	-70.7	-62.3	0	0	0	113	A140 R142 I146 G147 H148 F169 L181 C184 L185 F188	A140-F144 VanDerWaalsContact C-CD2 3.4Å; A140-F144 HydrophobicContact CB-CD2 4.22Å; A140-F144 HydrophobicContact CB-CE2 4.02Å; A140-F144 WeakPolarHBondContact O-CB 3.32Å; A140-F144 WeakPolarHBondContact O-CD2 3.27Å; A140-F144 WeakPolarHBondContact O-CG 3.22Å; A140-F144 PolarHBondContact O-N 3.38Å; R142-F144 PolarHBondContact O-N 3.29Å; F144-I146 VanDerWaalsContact C-N 3.29Å; F144-I146 PolarHBondContact O-N 3.22Å; F144-G147 PolarHBondContact O-N 3.22Å; F144-H148 VanDerWaalsContact O-CB 3.23Å; F144-H148 WeakPolarHBondContact O-CB 3.34Å; F144-H148 PolarHBondContact O-N 2.88Å; F144-F169 HydrophobicContact CE1-CE2 4.3Å; F144-F169 HydrophobicContact CE2-CE1 4.26Å; F144-F169 HydrophobicContact CE2-CE2 4.27Å; F144-F169 AromaticContact CE2-CZ 3.86Å; F144-F169 HydrophobicContact CE2-CZ 3.86Å; F144-F169 HydrophobicContact CZ-CD2 4.32Å; F144-F169 HydrophobicContact CZ-CE1 4.41Å; F144-F169 AromaticContact CZ-CE2 3.85Å; F144-F169 HydrophobicContact CZ-CE2 3.85Å; F144-F169 AromaticContact CZ-CZ 3.91Å; F144-F169 HydrophobicContact CZ-CZ 3.91Å; F144-L181 HydrophobicContact CE2-CD1 3.87Å; F144-L181 HydrophobicContact CZ-CD1 4.06Å; F144-C184 HydrophobicContact CD2-CB 3.18Å; F144-C184 HydrophobicContact CE2-CB 3.38Å; F144-C184 HydrophobicContact CG-CB 3.86Å; F144-C184 HydrophobicContact CZ-CB 4.17Å; F144-L185 HydrophobicContact CE1-CD2 3.72Å; F144-L185 HydrophobicContact CE1-CG 4.34Å; F144-L185 HydrophobicContact CZ-CD2 3.57Å; F144-L185 HydrophobicContact CZ-CG 3.86Å; F144-F188 HydrophobicContact CD1-CB 3.85Å; F144-F188 HydrophobicContact CD1-CD1 4.11Å; F144-F188 HydrophobicContact CD1-CD2 4.39Å; F144-F188 AromaticContact CD1-CG 3.87Å; F144-F188 HydrophobicContact CD1-CG 3.87Å; F144-F188 HydrophobicContact CE1-CB 4.16Å; F144-F188 HydrophobicContact CE1-CD1 4.07Å; F144-F188 HydrophobicContact CE1-CG 4.23Å
145	S	63.7	Low	56.3	Low	62 Å²	62	63.5 Å²	63.5	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-38.6	171.9	-174.4	0	0	0	0	111.8	Q141 R142 K149	Q141-S145 WeakPolarHBondContact O-CB 3.41Å; Q141-S145 PolarHBondContact O-N 3.46Å; R142-S145 WeakPolarHBondContact O-CB 3.44Å; R142-S145 PolarHBondContact O-N 2.7Å; R142-S145 VanDerWaalsContact O-N 3.15Å; S145-K149 WeakPolarHBondContact O-CG 3.09Å; S145-K149 PolarHBondContact O-N 3.15Å
146	I	61.1	Low	56.9	Low	28 Å²	28	68.9 Å²	68.9	14%	0.144	34%	0.344	C	S	.	.	H	α-helix	trans	-68.3	-47.1	173.5	-64.6	165.3	0	0	0	110.2	L79 R142 L143 F144 H148 K149 L150 M165	L79-I146 HydrophobicContact CD2-CD1 4.14Å; L79-I146 HydrophobicContact CD2-CG2 4.32Å; R142-I146 WeakPolarHBondContact O-CG1 3.41Å; R142-I146 PolarHBondContact O-N 2.96Å; L143-I146 PolarHBondContact O-N 3.1Å; F144-I146 VanDerWaalsContact C-N 3.29Å; F144-I146 PolarHBondContact O-N 3.22Å; I146-H148 VanDerWaalsContact C-N 3.34Å; I146-H148 PolarHBondContact O-N 3.01Å; I146-K149 WeakPolarHBondContact O-CB 3.22Å; I146-K149 PolarHBondContact O-N 3.34Å; I146-K149 VanDerWaalsContact O-N 3.12Å; I146-L150 HydrophobicContact CG2-CD1 3.96Å; I146-L150 HydrophobicContact CG2-CG 4.38Å; I146-L150 WeakPolarHBondContact O-CG 3.37Å; I146-L150 PolarHBondContact O-N 2.97Å; I146-M165 HydrophobicContact CB-CE 4.24Å; I146-M165 HydrophobicContact CG2-CE 3.85Å
147	G	62.2	Low	57.5	Low	2 Å²	2	69.7 Å²	69.7	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-57.3	-45.1	177	0	0	0	0	0	112.2	L143 F144 K149 L150 C151	L143-G147 PolarHBondContact O-N 3.5Å; F144-G147 PolarHBondContact O-N 3.22Å; G147-K149 VanDerWaalsContact C-N 3.33Å; G147-K149 PolarHBondContact O-N 2.98Å; G147-L150 PolarHBondContact O-N 2.84Å; G147-L150 VanDerWaalsContact O-N 3.13Å; G147-C151 PolarHBondContact O-N 3.4Å; G147-C151 PolarHBondContact O-SG 3.18Å
148	H	63.2	Low	58	Low	83 Å²	83	75.9 Å²	75.9	38%	0.384	38%	0.381	S	S	.	.	H	α-helix	trans	-59.2	-42.1	175.2	-178.1	-74.8	0	0	0	111.8	F144 I146 M152	F144-H148 VanDerWaalsContact O-CB 3.23Å; F144-H148 WeakPolarHBondContact O-CB 3.34Å; F144-H148 PolarHBondContact O-N 2.88Å; I146-H148 VanDerWaalsContact C-N 3.34Å; I146-H148 PolarHBondContact O-N 3.01Å; H148-M152 VanDerWaalsContact O-CG 3.3Å; H148-M152 WeakPolarHBondContact O-CG 3.48Å; H148-M152 PolarHBondContact O-N 3.24Å; H148-M152 VanDerWaalsContact O-N 3.17Å
149	K	63.9	Low	58.5	Low	130 Å²	130	75.1 Å²	75.1	57%	0.565	37%	0.372	S	S	*	.	H	α-helix	trans	-66.7	-38.1	174.4	-72.8	176.3	-176.6	176.9	0	112.3	S145 I146 G147 M152 Q153	S145-K149 WeakPolarHBondContact O-CG 3.09Å; S145-K149 PolarHBondContact O-N 3.15Å; I146-K149 WeakPolarHBondContact O-CB 3.22Å; I146-K149 PolarHBondContact O-N 3.34Å; I146-K149 VanDerWaalsContact O-N 3.12Å; G147-K149 VanDerWaalsContact C-N 3.33Å; G147-K149 PolarHBondContact O-N 2.98Å; K149-M152 PolarHBondContact O-N 3.11Å; K149-Q153 WeakPolarHBondContact O-CG 3.3Å; K149-Q153 PolarHBondContact O-N 2.94Å
150	L	61.8	Low	59	Low	41 Å²	41	81 Å²	81	22%	0.215	40%	0.399	C	S	.	.	H	α-helix	trans	-67.5	-43.6	177.4	-74.1	170.3	0	0	0	111.6	I146 G147 M152 Q153 S154 L162 M165	I146-L150 HydrophobicContact CG2-CD1 3.96Å; I146-L150 HydrophobicContact CG2-CG 4.38Å; I146-L150 WeakPolarHBondContact O-CG 3.37Å; I146-L150 PolarHBondContact O-N 2.97Å; G147-L150 PolarHBondContact O-N 2.84Å; G147-L150 VanDerWaalsContact O-N 3.13Å; L150-M152 VanDerWaalsContact C-N 3.27Å; L150-M152 PolarHBondContact O-N 2.94Å; L150-Q153 PolarHBondContact O-N 3.3Å; L150-S154 PolarHBondContact O-N 3.29Å; L150-S154 PolarHBondContact O-OG 2.92Å; L150-L162 HydrophobicContact CB-CD2 4Å; L150-L162 HydrophobicContact CD1-CD2 4.06Å; L150-M165 HydrophobicContact CD1-SD 4.44Å
151	C	63.5	Low	59.3	Low	13 Å²	13	83 Å²	83	9%	0.088	41%	0.408	C	S	.	.	H	α-helix	trans	-60.2	-37.1	174.5	-72.4	0	0	0	0	112.2	G147 Q153 V191	G147-C151 PolarHBondContact O-N 3.4Å; G147-C151 PolarHBondContact O-SG 3.18Å; C151-Q153 PolarHBondContact O-N 3.05Å; C151-V191 HydrophobicContact CB-CG1 4.34Å
152	M	58.3	Low	59.8	Low	128 Å²	128	77.9 Å²	77.9	63%	0.631	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-18.1	174.4	-74.4	-74.1	129.7	0	0	113.8	H148 K149 L150 V191	H148-M152 VanDerWaalsContact O-CG 3.3Å; H148-M152 WeakPolarHBondContact O-CG 3.48Å; H148-M152 PolarHBondContact O-N 3.24Å; H148-M152 VanDerWaalsContact O-N 3.17Å; K149-M152 PolarHBondContact O-N 3.11Å; L150-M152 VanDerWaalsContact C-N 3.27Å; L150-M152 PolarHBondContact O-N 2.94Å; M152-V191 HydrophobicContact CE-CG1 3.21Å
153	Q	54.8	Low	60.2	Low	157 Å²	157	75.1 Å²	75.1	73%	0.734	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-27.7	-176.1	-71.8	179.2	-0.5	0	0	113.6	K149 L150 C151	K149-Q153 WeakPolarHBondContact O-CG 3.3Å; K149-Q153 PolarHBondContact O-N 2.94Å; L150-Q153 PolarHBondContact O-N 3.3Å; C151-Q153 PolarHBondContact O-N 3.05Å
154	S	49.1	Very low	60.4	Low	27 Å²	27	77.1 Å²	77.1	19%	0.189	39%	0.391	C	S	.	.			trans	-84.8	117.3	179.5	60.4	0	0	0	0	111.1	L150	L150-S154 PolarHBondContact O-N 3.29Å; L150-S154 PolarHBondContact O-OG 2.92Å
155	E	52.1	Low	60.5	Low	178 Å²	178	77.9 Å²	77.9	83%	0.832	40%	0.395	S	S	*	.			trans	-55.9	144	154.7	-63.7	178.8	169.7	0	0	108.4	S157	E155-S157 PolarHBondContact O-N 2.88Å; E155-S157 PolarHBondContact O-OG 2.76Å
156	D	52.3	Low	60.6	Low	128 Å²	128	75.2 Å²	75.2	68%	0.684	38%	0.376	S	S	*	.	S	Bend	trans	-38.6	-0	-167.9	-77	-46.9	0	0	0	120.1	W195	D156-W195 PolarHBondContact O-NE1 3.43Å
157	S	56.1	Low	60.9	Low	79 Å²	79	75.5 Å²	75.5	55%	0.552	38%	0.378	S	S	*	.	S	Bend	trans	-52.3	137.4	166.8	61.9	0	0	0	0	113.2	E155 N159	E155-S157 PolarHBondContact O-N 2.88Å; E155-S157 PolarHBondContact O-OG 2.76Å; S157-N159 PolarHBondContact O-N 3.47Å
158	K	57.6	Low	61	Low	154 Å²	154	78.4 Å²	78.4	67%	0.67	39%	0.391	S	S	*	.			trans	-58.8	120.1	171.9	-71.7	-170	173.4	-164.1	0	109.3	W195	K158-W195 HydrophobicContact CG-CD2 4.06Å; K158-W195 HydrophobicContact CG-CE3 4.26Å; K158-W195 HydrophobicContact CG-CG 4.27Å
159	N	65.3	Low	61	Low	39 Å²	39	75.3 Å²	75.3	21%	0.209	38%	0.376	C	S	.	.			trans	-103.6	107.1	179.5	-163.3	-14.6	0	0	0	108.6	S157 L161 L162 E163 W195	S157-N159 PolarHBondContact O-N 3.47Å; N159-L161 PolarHBondContact O-N 3.37Å; N159-L162 HydrophobicContact CB-CB 4.35Å; N159-L162 HydrophobicContact CB-CD1 4.01Å; N159-L162 HydrophobicContact CB-CG 4.13Å; N159-L162 PolarHBondContact O-N 3.36Å; N159-E163 PolarHBondContact O-N 2.53Å; N159-W195 HydrophobicContact CB-CZ2 4.33Å
160	E	62.5	Low	61.1	Low	158 Å²	158	72 Å²	72	74%	0.738	36%	0.36	S	S	*	.	H	α-helix	trans	-54.4	-28.9	-178.5	-65.7	179.7	174.3	0	0	112.2	T164	E160-T164 VanDerWaalsContact O-CB 3.25Å; E160-T164 WeakPolarHBondContact O-CB 3.2Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.12Å
161	L	63.5	Low	61	Low	50 Å²	50	78.5 Å²	78.5	26%	0.262	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-45.5	174.3	-92.3	158.2	0	0	0	112.7	A71 L76 N159 T164 M165	A71-L161 HydrophobicContact CB-CD1 4.33Å; L76-L161 HydrophobicContact CD1-CD2 3.84Å; L76-L161 HydrophobicContact CD2-CD2 3.82Å; L76-L161 HydrophobicContact CG-CD2 3.94Å; N159-L161 PolarHBondContact O-N 3.37Å; L161-T164 PolarHBondContact O-N 2.93Å; L161-M165 WeakPolarHBondContact O-CB 3.47Å; L161-M165 VanDerWaalsContact O-CG 3.27Å; L161-M165 WeakPolarHBondContact O-CG 3.48Å; L161-M165 PolarHBondContact O-N 3.12Å
162	L	66.7	Low	60.7	Low	2 Å²	2	80.9 Å²	80.9	1%	0.01	40%	0.395	C	S	.	.	H	α-helix	trans	-68.2	-40.8	179.4	-69.9	176.9	0	0	0	111	L150 N159 M165 L166 F188 W195 L196	L150-L162 HydrophobicContact CB-CD2 4Å; L150-L162 HydrophobicContact CD1-CD2 4.06Å; N159-L162 HydrophobicContact CB-CB 4.35Å; N159-L162 HydrophobicContact CB-CD1 4.01Å; N159-L162 HydrophobicContact CB-CG 4.13Å; N159-L162 PolarHBondContact O-N 3.36Å; L162-M165 HydrophobicContact CD2-SD 4.36Å; L162-M165 WeakPolarHBondContact O-CB 3.24Å; L162-M165 PolarHBondContact O-N 2.89Å; L162-L166 PolarHBondContact O-N 3.14Å; L162-F188 HydrophobicContact CD2-CZ 4.1Å; L162-W195 HydrophobicContact CB-CH2 4.04Å; L162-W195 HydrophobicContact CD1-CZ2 4.32Å; L162-L196 HydrophobicContact CB-CD1 4.17Å; L162-L196 HydrophobicContact CB-CD2 4.5Å; L162-L196 HydrophobicContact CD1-CD2 4.04Å
163	E	65.3	Low	60.2	Low	72 Å²	72	81.8 Å²	81.8	34%	0.336	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-42.3	175	-171.1	178.7	166.7	0	0	111.2	N159 L166 N167 W195	N159-E163 PolarHBondContact O-N 2.53Å; E163-L166 PolarHBondContact O-N 2.84Å; E163-N167 VanDerWaalsContact O-CB 3.27Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 PolarHBondContact O-N 2.9Å; E163-N167 PolarHBondContact O-ND2 2.7Å; E163-W195 HydrophobicContact CB-CZ3 4.45Å
164	T	62.6	Low	59.9	Low	70 Å²	70	78 Å²	78	43%	0.429	39%	0.387	S	S	.	.	H	α-helix	trans	-64.5	-42.4	175.7	-56.5	0	0	0	0	110.9	E160 L161 N167 Q168	E160-T164 VanDerWaalsContact O-CB 3.25Å; E160-T164 WeakPolarHBondContact O-CB 3.2Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.12Å; L161-T164 PolarHBondContact O-N 2.93Å; T164-N167 PolarHBondContact O-N 2.81Å; T164-Q168 VanDerWaalsContact O-CG 3.28Å; T164-Q168 WeakPolarHBondContact O-CG 3.18Å; T164-Q168 PolarHBondContact O-N 3.41Å
165	M	65	Low	60.2	Low	34 Å²	34	78.7 Å²	78.7	17%	0.167	39%	0.39	C	S	.	.	H	α-helix	trans	-57.8	-49	175.6	-81.1	174.1	146.2	0	0	111.7	L143 I146 L150 L161 L162 Q168 F169	L143-M165 HydrophobicContact CD2-CE 3.6Å; I146-M165 HydrophobicContact CB-CE 4.24Å; I146-M165 HydrophobicContact CG2-CE 3.85Å; L150-M165 HydrophobicContact CD1-SD 4.44Å; L161-M165 WeakPolarHBondContact O-CB 3.47Å; L161-M165 VanDerWaalsContact O-CG 3.27Å; L161-M165 WeakPolarHBondContact O-CG 3.48Å; L161-M165 PolarHBondContact O-N 3.12Å; L162-M165 HydrophobicContact CD2-SD 4.36Å; L162-M165 WeakPolarHBondContact O-CB 3.24Å; L162-M165 PolarHBondContact O-N 2.89Å; M165-Q168 WeakPolarHBondContact O-CB 3.45Å; M165-Q168 PolarHBondContact O-N 3.38Å; M165-F169 WeakPolarHBondContact O-CD2 3.16Å
166	L	66.2	Low	60.2	Low	7 Å²	7	72.6 Å²	72.6	4%	0.037	37%	0.37	C	S	.	.	H	α-helix	trans	-64.9	-45.1	176.8	-82.6	166.3	0	0	0	112.5	L162 E163 Q168 F169 R170 L185 F188 L196 E199 I200	L162-L166 PolarHBondContact O-N 3.14Å; E163-L166 PolarHBondContact O-N 2.84Å; L166-Q168 PolarHBondContact O-N 2.83Å; L166-F169 WeakPolarHBondContact O-CA 3.47Å; L166-F169 WeakPolarHBondContact O-CB 3.03Å; L166-F169 PolarHBondContact O-N 3.07Å; L166-R170 PolarHBondContact O-N 3.23Å; L166-R170 VanDerWaalsContact O-N 3.13Å; L166-L185 HydrophobicContact CD2-CD2 3.87Å; L166-F188 HydrophobicContact CD1-CE1 4.36Å; L166-F188 HydrophobicContact CG-CE1 4.47Å; L166-L196 HydrophobicContact CD1-CD1 3.22Å; L166-L196 HydrophobicContact CD1-CG 3.96Å; L166-E199 HydrophobicContact CD1-CB 4.1Å; L166-I200 HydrophobicContact CD1-CG1 3.9Å; L166-I200 HydrophobicContact CD2-CG1 3.92Å
167	N	67.3	Low	60.6	Low	34 Å²	34	69.4 Å²	69.4	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-30.8	177.1	-81.6	-38.1	0	0	0	111.8	E163 T164 F169 R170 Y171	E163-N167 VanDerWaalsContact O-CB 3.27Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 PolarHBondContact O-N 2.9Å; E163-N167 PolarHBondContact O-ND2 2.7Å; T164-N167 PolarHBondContact O-N 2.81Å; N167-F169 VanDerWaalsContact C-N 3.29Å; N167-F169 PolarHBondContact O-N 2.82Å; N167-R170 WeakPolarHBondContact O-CB 2.88Å; N167-R170 PolarHBondContact O-N 3.43Å; N167-R170 PolarHBondContact OD1-NH1 2.87Å; N167-Y171 HydrophobicContact CB-CE2 4.35Å; N167-Y171 WeakPolarHBondContact O-CD2 3.32Å; N167-Y171 PolarHBondContact O-N 3.04Å
168	Q	63.3	Low	61	Low	62 Å²	62	65.9 Å²	65.9	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-36.8	172.5	-66.4	-42.3	-66.4	0	0	112.3	F119 T164 M165 L166	F119-Q168 PolarHBondContact O-OE1 3.04Å; T164-Q168 VanDerWaalsContact O-CG 3.28Å; T164-Q168 WeakPolarHBondContact O-CG 3.18Å; T164-Q168 PolarHBondContact O-N 3.41Å; M165-Q168 WeakPolarHBondContact O-CB 3.45Å; M165-Q168 PolarHBondContact O-N 3.38Å; L166-Q168 PolarHBondContact O-N 2.83Å
169	F	64.2	Low	61.3	Low	18 Å²	18	63 Å²	63	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-36.4	175.4	-66.8	-75.1	0	0	0	111.9	A140 L143 F144 M165 L166 N167 Y171 L172 L181	A140-F169 HydrophobicContact CB-CE1 4.06Å; A140-F169 HydrophobicContact CB-CZ 4.41Å; L143-F169 HydrophobicContact CB-CZ 4.19Å; L143-F169 HydrophobicContact CD1-CE2 4.28Å; L143-F169 HydrophobicContact CD1-CZ 3.75Å; F144-F169 HydrophobicContact CE1-CE2 4.3Å; F144-F169 HydrophobicContact CE2-CE1 4.26Å; F144-F169 HydrophobicContact CE2-CE2 4.27Å; F144-F169 AromaticContact CE2-CZ 3.86Å; F144-F169 HydrophobicContact CE2-CZ 3.86Å; F144-F169 HydrophobicContact CZ-CD2 4.32Å; F144-F169 HydrophobicContact CZ-CE1 4.41Å; F144-F169 AromaticContact CZ-CE2 3.85Å; F144-F169 HydrophobicContact CZ-CE2 3.85Å; F144-F169 AromaticContact CZ-CZ 3.91Å; F144-F169 HydrophobicContact CZ-CZ 3.91Å; M165-F169 WeakPolarHBondContact O-CD2 3.16Å; L166-F169 WeakPolarHBondContact O-CA 3.47Å; L166-F169 WeakPolarHBondContact O-CB 3.03Å; L166-F169 PolarHBondContact O-N 3.07Å; N167-F169 VanDerWaalsContact C-N 3.29Å; N167-F169 PolarHBondContact O-N 2.82Å; F169-Y171 VanDerWaalsContact C-N 3.27Å; F169-Y171 PolarHBondContact O-N 2.81Å; F169-L172 HydrophobicContact CB-CD1 4.35Å; F169-L172 HydrophobicContact CD1-CD1 3.8Å; F169-L172 WeakPolarHBondContact O-CG 3.2Å; F169-L172 PolarHBondContact O-N 3.22Å; F169-L181 HydrophobicContact CD1-CD1 3.67Å; F169-L181 HydrophobicContact CE1-CD1 3.84Å; F169-L181 HydrophobicContact CG-CD1 4.41Å
170	R	65.4	Low	61.4	Low	62 Å²	62	62.7 Å²	62.7	23%	0.234	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-31.8	177.8	-173.7	178.6	-88.2	153.7	-8.3	113.3	L166 N167 E199 E206	L166-R170 PolarHBondContact O-N 3.23Å; L166-R170 VanDerWaalsContact O-N 3.13Å; N167-R170 WeakPolarHBondContact O-CB 2.88Å; N167-R170 PolarHBondContact O-N 3.43Å; N167-R170 PolarHBondContact OD1-NH1 2.87Å; R170-E199 IonicContact CZ-OE2 3.26Å; R170-E199 IonicContact NH1-OE2 3.65Å; R170-E199 PolarHBondContact NH1-OE2 3.33Å; R170-E199 IonicContact NH2-OE2 2.68Å; R170-E199 PolarHBondContact NH2-OE2 2.92Å; R170-E206 WeakPolarHBondContact CD-OE2 3.28Å; R170-E206 WeakPolarHBondContact CG-OE2 3.43Å; R170-E206 IonicContact CZ-OE2 2.77Å; R170-E206 IonicContact NE-OE2 3.52Å; R170-E206 PolarHBondContact NE-OE2 3.37Å; R170-E206 IonicContact NH2-OE2 3.63Å
171	Y	59.7	Low	61.6	Low	176 Å²	176	55.6 Å²	55.6	69%	0.69	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	16.3	-179.2	-60.8	-69.8	0	0	0	114.5	N167 F169 E173	N167-Y171 HydrophobicContact CB-CE2 4.35Å; N167-Y171 WeakPolarHBondContact O-CD2 3.32Å; N167-Y171 PolarHBondContact O-N 3.04Å; F169-Y171 VanDerWaalsContact C-N 3.27Å; F169-Y171 PolarHBondContact O-N 2.81Å; Y171-E173 PolarHBondContact O-N 2.85Å
172	L	58.1	Low	61.8	Low	64 Å²	64	53.4 Å²	53.4	34%	0.335	27%	0.273	S	S	.	.			trans	-64.3	121.1	173.8	-71.9	171	0	0	0	110	F169 C174	F169-L172 HydrophobicContact CB-CD1 4.35Å; F169-L172 HydrophobicContact CD1-CD1 3.8Å; F169-L172 WeakPolarHBondContact O-CG 3.2Å; F169-L172 PolarHBondContact O-N 3.22Å; L172-C174 PolarHBondContact O-N 3.34Å
173	E	47.3	Very low	61.8	Low	147 Å²	147	55.1 Å²	55.1	69%	0.687	29%	0.285	S	S	*	.	S	Bend	trans	-69.8	-23.8	175.8	-74.8	-176.7	173.4	0	0	112.2	Y171	Y171-E173 PolarHBondContact O-N 2.85Å
174	C	47.8	Very low	61.9	Low	76 Å²	76	52.3 Å²	52.3	51%	0.514	27%	0.273	S	S	.	.			trans	-143.2	141.7	179.8	-172.3	0	0	0	0	109.1	L172	L172-C174 PolarHBondContact O-N 3.34Å
175	V	56	Low	62.3	Low	43 Å²	43	49.1 Å²	49.1	26%	0.261	25%	0.253	S	S	.	.			trans	-117.9	106.2	174.2	-175.4	0	0	0	0	107.5	L181 V207	V175-L181 HydrophobicContact CG1-CD2 3.82Å; V175-V207 HydrophobicContact CG2-CG1 3.95Å
176	A	53	Low	62.5	Low	49 Å²	49	47.9 Å²	47.9	41%	0.405	25%	0.247	S	C	.	.	S	Bend	trans	-72	-33.9	-175.4	0	0	0	0	0	112.9	E136	E136-A176 HydrophobicContact CB-CB 4.29Å; E136-A176 WeakPolarHBondContact OE2-CA 3.24Å; E136-A176 WeakPolarHBondContact OE2-CB 3.33Å; E136-A176 PolarHBondContact OE2-N 3.21Å
177	N	60	Low	62.7	Low	61 Å²	61	51.2 Å²	51.2	33%	0.326	27%	0.265	S	S	.	.			trans	-142.5	83.7	176.6	-165.8	-24.6	0	0	0	110.7	E179 V180 L181	N177-E179 PolarHBondContact O-N 2.87Å; N177-E179 PolarHBondContact OD1-N 3.41Å; N177-V180 HydrophobicContact CB-CG2 4.49Å; N177-V180 WeakPolarHBondContact ND2-CG2 3.25Å; N177-V180 PolarHBondContact O-N 3.31Å; N177-V180 PolarHBondContact OD1-N 3.45Å; N177-L181 PolarHBondContact O-N 3.38Å
178	S	64.3	Low	62.8	Low	6 Å²	6	50 Å²	50	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-25.7	-179.2	172.2	0	0	0	0	111.9	L181 V182 Q212	S178-L181 PolarHBondContact O-N 3.45Å; S178-V182 WeakPolarHBondContact O-CB 3.42Å; S178-V182 VanDerWaalsContact O-CG2 3.24Å; S178-V182 WeakPolarHBondContact O-CG2 3.46Å; S178-V182 PolarHBondContact O-N 2.88Å; S178-Q212 VanDerWaalsContact CB-CD 3.42Å; S178-Q212 PolarHBondContact OG-OE1 3.15Å; S178-Q212 VanDerWaalsContact OG-OE1 3.09Å
179	E	64.6	Low	63.1	Low	92 Å²	92	47.6 Å²	47.6	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-69.8	-46.7	-177.4	-175.3	-175.9	175	0	0	111.3	N177 L181 S183 K219	N177-E179 PolarHBondContact O-N 2.87Å; N177-E179 PolarHBondContact OD1-N 3.41Å; E179-L181 VanDerWaalsContact C-N 3.3Å; E179-S183 WeakPolarHBondContact O-CB 3.28Å; E179-S183 PolarHBondContact O-N 2.77Å; E179-S183 PolarHBondContact O-OG 2.87Å; E179-K219 IonicContact OE1-NZ 2.65Å; E179-K219 PolarHBondContact OE1-NZ 3.35Å
180	V	66.8	Low	63.3	Low	33 Å²	33	49.9 Å²	49.9	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-40	176.6	175.7	0	0	0	0	109.8	P137 Q141 N177 S183 C184	P137-V180 HydrophobicContact CB-CB 4.26Å; P137-V180 HydrophobicContact CB-CG1 3.85Å; P137-V180 HydrophobicContact CB-CG2 4.48Å; Q141-V180 HydrophobicContact CG-CG1 4.31Å; N177-V180 HydrophobicContact CB-CG2 4.49Å; N177-V180 WeakPolarHBondContact ND2-CG2 3.25Å; N177-V180 PolarHBondContact O-N 3.31Å; N177-V180 PolarHBondContact OD1-N 3.45Å; V180-S183 PolarHBondContact O-N 3.28Å; V180-C184 WeakPolarHBondContact O-CB 3.39Å; V180-C184 PolarHBondContact O-N 2.78Å; V180-C184 PolarHBondContact O-SG 3.4Å
181	L	67.8	Low	63.5	Low	10 Å²	10	48.8 Å²	48.8	5%	0.052	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-47.5	179	-177.6	57.2	0	0	0	112	A140 F144 F169 V175 N177 S178 E179 C184 L185 V207	A140-L181 HydrophobicContact CB-CD1 4.43Å; F144-L181 HydrophobicContact CE2-CD1 3.87Å; F144-L181 HydrophobicContact CZ-CD1 4.06Å; F169-L181 HydrophobicContact CD1-CD1 3.67Å; F169-L181 HydrophobicContact CE1-CD1 3.84Å; F169-L181 HydrophobicContact CG-CD1 4.41Å; V175-L181 HydrophobicContact CG1-CD2 3.82Å; N177-L181 PolarHBondContact O-N 3.38Å; S178-L181 PolarHBondContact O-N 3.45Å; E179-L181 VanDerWaalsContact C-N 3.3Å; L181-C184 PolarHBondContact O-N 3.49Å; L181-L185 HydrophobicContact CD1-CD1 4.38Å; L181-L185 HydrophobicContact CD1-CG 4.4Å; L181-L185 HydrophobicContact CG-CD1 4.18Å; L181-L185 WeakPolarHBondContact O-CG 3.29Å; L181-L185 PolarHBondContact O-N 3.01Å; L181-V207 HydrophobicContact CD2-CG1 3.5Å; L181-V207 VanDerWaalsContact CD2-CG1 3.5Å
182	V	67.4	Low	64	Low	3 Å²	3	40.8 Å²	40.8	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-46.8	176	170	0	0	0	0	110.9	S178 C184 L185 L186 V208 T216	S178-V182 WeakPolarHBondContact O-CB 3.42Å; S178-V182 VanDerWaalsContact O-CG2 3.24Å; S178-V182 WeakPolarHBondContact O-CG2 3.46Å; S178-V182 PolarHBondContact O-N 2.88Å; V182-C184 VanDerWaalsContact C-N 3.27Å; V182-C184 PolarHBondContact O-N 2.87Å; V182-L185 PolarHBondContact O-N 3.21Å; V182-L186 HydrophobicContact CG1-CD1 3.89Å; V182-L186 HydrophobicContact CG1-CG 4.31Å; V182-L186 WeakPolarHBondContact O-CB 3.48Å; V182-L186 VanDerWaalsContact O-CG 3.29Å; V182-L186 WeakPolarHBondContact O-CG 3.39Å; V182-L186 PolarHBondContact O-N 2.84Å; V182-V208 HydrophobicContact CG2-CG2 3.63Å; V182-T216 HydrophobicContact CG1-CG2 3.89Å; V182-T216 HydrophobicContact CG2-CG2 4.38Å
183	S	66.7	Low	64.5	Low	38 Å²	38	38.6 Å²	38.6	27%	0.266	22%	0.221	S	C	.	.	H	α-helix	trans	-58.1	-41	175.6	-81.8	0	0	0	0	112	E179 V180 N187 K219	E179-S183 WeakPolarHBondContact O-CB 3.28Å; E179-S183 PolarHBondContact O-N 2.77Å; E179-S183 PolarHBondContact O-OG 2.87Å; V180-S183 PolarHBondContact O-N 3.28Å; S183-N187 WeakPolarHBondContact O-CB 3.41Å; S183-N187 PolarHBondContact O-N 3.42Å; S183-N187 PolarHBondContact O-ND2 3.31Å; S183-N187 PolarHBondContact O-OD1 3.42Å; S183-K219 PolarHBondContact OG-NZ 2.89Å
184	C	67.2	Low	65.5	Low	14 Å²	14	38.7 Å²	38.7	10%	0.095	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-39.8	176.6	-67.4	0	0	0	0	113.1	F144 V180 L181 V182 N187 F188	F144-C184 HydrophobicContact CD2-CB 3.18Å; F144-C184 HydrophobicContact CE2-CB 3.38Å; F144-C184 HydrophobicContact CG-CB 3.86Å; F144-C184 HydrophobicContact CZ-CB 4.17Å; V180-C184 WeakPolarHBondContact O-CB 3.39Å; V180-C184 PolarHBondContact O-N 2.78Å; V180-C184 PolarHBondContact O-SG 3.4Å; L181-C184 PolarHBondContact O-N 3.49Å; V182-C184 VanDerWaalsContact C-N 3.27Å; V182-C184 PolarHBondContact O-N 2.87Å; C184-N187 PolarHBondContact O-N 2.89Å; C184-F188 VanDerWaalsContact O-CB 3.28Å; C184-F188 WeakPolarHBondContact O-CB 3.21Å; C184-F188 PolarHBondContact O-N 3.2Å
185	L	71.3	Confident	66.6	Low	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-40.9	175.6	-74.7	169.7	0	0	0	111.6	F144 L166 L181 V182 F188 A189 I200 I204	F144-L185 HydrophobicContact CE1-CD2 3.72Å; F144-L185 HydrophobicContact CE1-CG 4.34Å; F144-L185 HydrophobicContact CZ-CD2 3.57Å; F144-L185 HydrophobicContact CZ-CG 3.86Å; L166-L185 HydrophobicContact CD2-CD2 3.87Å; L181-L185 HydrophobicContact CD1-CD1 4.38Å; L181-L185 HydrophobicContact CD1-CG 4.4Å; L181-L185 HydrophobicContact CG-CD1 4.18Å; L181-L185 WeakPolarHBondContact O-CG 3.29Å; L181-L185 PolarHBondContact O-N 3.01Å; V182-L185 PolarHBondContact O-N 3.21Å; L185-F188 CarbonylContact O-C 3.57Å; L185-F188 WeakPolarHBondContact O-CB 3.2Å; L185-F188 PolarHBondContact O-N 3.12Å; L185-A189 WeakPolarHBondContact O-CB 3.29Å; L185-A189 PolarHBondContact O-N 3.14Å; L185-I200 HydrophobicContact CB-CG2 4.24Å; L185-I200 HydrophobicContact CD2-CG2 4.35Å; L185-I204 HydrophobicContact CB-CD1 4.16Å; L185-I204 HydrophobicContact CB-CG1 4.01Å; L185-I204 HydrophobicContact CD1-CG1 3.88Å
186	L	68.9	Low	67.5	Low	8 Å²	8	34.8 Å²	34.8	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-44	175.6	-68.5	174.7	0	0	0	112	V182 F188 A189 M190 I204 K219 L220 V223	V182-L186 HydrophobicContact CG1-CD1 3.89Å; V182-L186 HydrophobicContact CG1-CG 4.31Å; V182-L186 WeakPolarHBondContact O-CB 3.48Å; V182-L186 VanDerWaalsContact O-CG 3.29Å; V182-L186 WeakPolarHBondContact O-CG 3.39Å; V182-L186 PolarHBondContact O-N 2.84Å; L186-F188 PolarHBondContact O-N 3.33Å; L186-A189 WeakPolarHBondContact O-CB 3.07Å; L186-A189 PolarHBondContact O-N 3.24Å; L186-M190 PolarHBondContact O-N 2.77Å; L186-M190 VanDerWaalsContact O-N 3.14Å; L186-I204 HydrophobicContact CD2-CD1 3.86Å; L186-I204 HydrophobicContact CG-CD1 4.43Å; L186-K219 HydrophobicContact CD1-CB 3.78Å; L186-L220 HydrophobicContact CD2-CD2 3.44Å; L186-L220 VanDerWaalsContact CD2-CD2 3.44Å; L186-L220 HydrophobicContact CD2-CG 4.13Å; L186-V223 HydrophobicContact CD1-CG2 4.45Å
187	N	69.8	Low	68.4	Low	77 Å²	77	32.7 Å²	32.7	41%	0.412	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-33.4	173.6	-68.7	-8.1	0	0	0	111.5	S183 C184 L232	S183-N187 WeakPolarHBondContact O-CB 3.41Å; S183-N187 PolarHBondContact O-N 3.42Å; S183-N187 PolarHBondContact O-ND2 3.31Å; S183-N187 PolarHBondContact O-OD1 3.42Å; C184-N187 PolarHBondContact O-N 2.89Å; N187-L232 WeakPolarHBondContact OD1-CD2 3.34Å
188	F	69.7	Low	68.8	Low	9 Å²	9	33.3 Å²	33.3	4%	0.039	17%	0.168	C	C	.	.	H	α-helix	trans	-72.3	-40.4	175.8	-169.6	-130.6	0	0	0	111.8	F144 L162 L166 C184 L185 L186 M190 V191 A192 L196 I200	F144-F188 HydrophobicContact CD1-CB 3.85Å; F144-F188 HydrophobicContact CD1-CD1 4.11Å; F144-F188 HydrophobicContact CD1-CD2 4.39Å; F144-F188 AromaticContact CD1-CG 3.87Å; F144-F188 HydrophobicContact CD1-CG 3.87Å; F144-F188 HydrophobicContact CE1-CB 4.16Å; F144-F188 HydrophobicContact CE1-CD1 4.07Å; F144-F188 HydrophobicContact CE1-CG 4.23Å; L162-F188 HydrophobicContact CD2-CZ 4.1Å; L166-F188 HydrophobicContact CD1-CE1 4.36Å; L166-F188 HydrophobicContact CG-CE1 4.47Å; C184-F188 VanDerWaalsContact O-CB 3.28Å; C184-F188 WeakPolarHBondContact O-CB 3.21Å; C184-F188 PolarHBondContact O-N 3.2Å; L185-F188 CarbonylContact O-C 3.57Å; L185-F188 WeakPolarHBondContact O-CB 3.2Å; L185-F188 PolarHBondContact O-N 3.12Å; L186-F188 PolarHBondContact O-N 3.33Å; F188-M190 PolarHBondContact O-N 3.2Å; F188-V191 PolarHBondContact O-N 3.41Å; F188-V191 VanDerWaalsContact O-N 3.08Å; F188-A192 WeakPolarHBondContact O-CB 3.44Å; F188-A192 PolarHBondContact O-N 3.17Å; F188-L196 HydrophobicContact CE1-CD2 3.64Å; F188-L196 HydrophobicContact CE1-CG 4.22Å; F188-L196 HydrophobicContact CE2-CD2 4.44Å; F188-L196 HydrophobicContact CZ-CD2 3.5Å; F188-L196 VanDerWaalsContact CZ-CD2 3.5Å; F188-I200 HydrophobicContact CD1-CD1 3.42Å; F188-I200 VanDerWaalsContact CD1-CD1 3.42Å; F188-I200 HydrophobicContact CD1-CG1 3.94Å; F188-I200 HydrophobicContact CE1-CD1 3.86Å; F188-I200 HydrophobicContact CE1-CG1 4.32Å; F188-I200 HydrophobicContact CG-CD1 4.18Å
189	A	70.5	Confident	69.2	Low	11 Å²	11	35.5 Å²	35.5	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-37.4	174.3	0	0	0	0	0	111.5	L185 L186 V191 A192 L197 I200	L185-A189 WeakPolarHBondContact O-CB 3.29Å; L185-A189 PolarHBondContact O-N 3.14Å; L186-A189 WeakPolarHBondContact O-CB 3.07Å; L186-A189 PolarHBondContact O-N 3.24Å; A189-V191 PolarHBondContact O-N 3.39Å; A189-V191 VanDerWaalsContact O-N 3.07Å; A189-A192 PolarHBondContact O-N 3.08Å; A189-L197 HydrophobicContact CB-CD2 3.8Å; A189-L197 WeakPolarHBondContact O-CD2 3.49Å; A189-I200 HydrophobicContact CB-CD1 4.36Å; A189-I200 HydrophobicContact CB-CG2 4.03Å
190	M	67.1	Low	69.5	Low	66 Å²	66	31.1 Å²	31.1	33%	0.325	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.7	178.2	-73.7	-162.3	61.6	0	0	115.1	L186 F188 L232 C234 C235	L186-M190 PolarHBondContact O-N 2.77Å; L186-M190 VanDerWaalsContact O-N 3.14Å; F188-M190 PolarHBondContact O-N 3.2Å; M190-L232 HydrophobicContact SD-CD2 3.41Å; M190-L232 WeakPolarHBondContact SD-CD2 3.47Å; M190-C234 HydrophobicContact CE-CB 4.07Å; M190-C235 WeakPolarHBondContact CE-SG 3.46Å; M190-C235 PolarHBondContact SD-SG 2.88Å
191	V	69	Low	69.9	Low	40 Å²	40	30.2 Å²	30.2	24%	0.242	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-11.3	-174.5	-176.4	0	0	0	0	111.9	C151 M152 F188 A189	C151-V191 HydrophobicContact CB-CG1 4.34Å; M152-V191 HydrophobicContact CE-CG1 3.21Å; F188-V191 PolarHBondContact O-N 3.41Å; F188-V191 VanDerWaalsContact O-N 3.08Å; A189-V191 PolarHBondContact O-N 3.39Å; A189-V191 VanDerWaalsContact O-N 3.07Å
192	A	70.3	Confident	70.1	Confident	7 Å²	7	34.8 Å²	34.8	6%	0.058	17%	0.167	C	C	.	.			trans	-70.4	142	-174.4	0	0	0	0	0	112.6	F188 A189 L196 L197 I200	F188-A192 WeakPolarHBondContact O-CB 3.44Å; F188-A192 PolarHBondContact O-N 3.17Å; A189-A192 PolarHBondContact O-N 3.08Å; A192-L196 HydrophobicContact CB-CB 4.11Å; A192-L196 HydrophobicContact CB-CD2 3.88Å; A192-L196 HydrophobicContact CB-CG 4.16Å; A192-L197 HydrophobicContact CB-CD2 4.13Å; A192-L197 HydrophobicContact CB-CG 4.1Å; A192-I200 HydrophobicContact CB-CD1 3.56Å
193	P	69.4	Low	70.3	Confident	19 Å²	19	34.7 Å²	34.7	12%	0.123	17%	0.167	C	C	.	.			trans	-67.2	163.1	167.9	29.4	-34.8	0	0	0	111.1	W195 L196 L197	P193-W195 VanDerWaalsContact C-N 3.35Å; P193-W195 HydrophobicContact CG-CZ2 4.49Å; P193-W195 PolarHBondContact O-N 3.44Å; P193-L196 HydrophobicContact CG-CB 4Å; P193-L196 HydrophobicContact CG-CD2 4.46Å; P193-L196 WeakPolarHBondContact O-CB 3.4Å; P193-L196 PolarHBondContact O-N 3.24Å; P193-L197 PolarHBondContact O-N 3.38Å; P193-L197 VanDerWaalsContact O-N 3.1Å
194	R	67.4	Low	70.6	Confident	148 Å²	148	32.9 Å²	32.9	56%	0.558	15%	0.154	S	C	*	.	H	α-helix	trans	-52.1	-46.3	-172	-179.3	178.3	175.4	161	6.9	114.3	L196 L197 E244	R194-L196 PolarHBondContact O-N 2.96Å; R194-L197 PolarHBondContact O-N 2.76Å; R194-E244 VanDerWaalsContact CZ-CD 3.41Å; R194-E244 IonicContact CZ-OE1 3.28Å; R194-E244 IonicContact CZ-OE2 3.25Å; R194-E244 IonicContact NE-OE2 3.9Å; R194-E244 IonicContact NH1-OE1 2.7Å; R194-E244 PolarHBondContact NH1-OE1 3.37Å; R194-E244 IonicContact NH1-OE2 3.98Å; R194-E244 PolarHBondContact NH1-OE2 2.85Å; R194-E244 IonicContact NH2-OE1 3.81Å; R194-E244 PolarHBondContact NH2-OE1 3.13Å; R194-E244 IonicContact NH2-OE2 2.79Å
195	W	71.8	Confident	70.9	Confident	38 Å²	38	33.4 Å²	33.4	14%	0.144	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-25.7	-178.3	68.8	-97.1	0	0	0	112.8	D156 K158 N159 L162 E163 P193	D156-W195 PolarHBondContact O-NE1 3.43Å; K158-W195 HydrophobicContact CG-CD2 4.06Å; K158-W195 HydrophobicContact CG-CE3 4.26Å; K158-W195 HydrophobicContact CG-CG 4.27Å; N159-W195 HydrophobicContact CB-CZ2 4.33Å; L162-W195 HydrophobicContact CB-CH2 4.04Å; L162-W195 HydrophobicContact CD1-CZ2 4.32Å; E163-W195 HydrophobicContact CB-CZ3 4.45Å; P193-W195 VanDerWaalsContact C-N 3.35Å; P193-W195 HydrophobicContact CG-CZ2 4.49Å; P193-W195 PolarHBondContact O-N 3.44Å
196	L	74.3	Confident	70.8	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-88.8	-29.2	-177.8	-169	69.6	0	0	0	111.6	L162 L166 F188 A192 P193 R194 E198 E199 I200	L162-L196 HydrophobicContact CB-CD1 4.17Å; L162-L196 HydrophobicContact CB-CD2 4.5Å; L162-L196 HydrophobicContact CD1-CD2 4.04Å; L166-L196 HydrophobicContact CD1-CD1 3.22Å; L166-L196 HydrophobicContact CD1-CG 3.96Å; F188-L196 HydrophobicContact CE1-CD2 3.64Å; F188-L196 HydrophobicContact CE1-CG 4.22Å; F188-L196 HydrophobicContact CE2-CD2 4.44Å; F188-L196 HydrophobicContact CZ-CD2 3.5Å; F188-L196 VanDerWaalsContact CZ-CD2 3.5Å; A192-L196 HydrophobicContact CB-CB 4.11Å; A192-L196 HydrophobicContact CB-CD2 3.88Å; A192-L196 HydrophobicContact CB-CG 4.16Å; P193-L196 HydrophobicContact CG-CB 4Å; P193-L196 HydrophobicContact CG-CD2 4.46Å; P193-L196 WeakPolarHBondContact O-CB 3.4Å; P193-L196 PolarHBondContact O-N 3.24Å; R194-L196 PolarHBondContact O-N 2.96Å; L196-E198 VanDerWaalsContact C-N 3.31Å; L196-E198 PolarHBondContact O-N 3.13Å; L196-E199 PolarHBondContact O-N 3.48Å; L196-I200 HydrophobicContact CD2-CD1 4.49Å; L196-I200 HydrophobicContact CG-CD1 4.05Å; L196-I200 HydrophobicContact CG-CG1 4.43Å; L196-I200 WeakPolarHBondContact O-CD1 3.41Å; L196-I200 WeakPolarHBondContact O-CG1 3.23Å; L196-I200 PolarHBondContact O-N 2.9Å
197	L	71.9	Confident	70.8	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-45.6	174	-77.9	168.3	0	0	0	111.8	A189 A192 P193 R194 I200 F201 L245	A189-L197 HydrophobicContact CB-CD2 3.8Å; A189-L197 WeakPolarHBondContact O-CD2 3.49Å; A192-L197 HydrophobicContact CB-CD2 4.13Å; A192-L197 HydrophobicContact CB-CG 4.1Å; P193-L197 PolarHBondContact O-N 3.38Å; P193-L197 VanDerWaalsContact O-N 3.1Å; R194-L197 PolarHBondContact O-N 2.76Å; L197-I200 PolarHBondContact O-N 3.31Å; L197-F201 HydrophobicContact CD2-CE2 4.31Å; L197-F201 VanDerWaalsContact O-CD2 3.23Å; L197-F201 WeakPolarHBondContact O-CD2 3.34Å; L197-F201 PolarHBondContact O-N 3.09Å; L197-L245 HydrophobicContact CB-CD2 4.09Å; L197-L245 HydrophobicContact CD1-CD1 4.26Å; L197-L245 HydrophobicContact CD1-CD2 3.71Å; L197-L245 HydrophobicContact CG-CD2 4.37Å
198	E	69.2	Low	70.7	Confident	74 Å²	74	36.3 Å²	36.3	35%	0.346	17%	0.172	S	C	.	.	H	α-helix	trans	-56.4	-52	176.5	-179.4	173.9	-172.9	0	0	111.3	L196 I200 F201 Y202 F248	L196-E198 VanDerWaalsContact C-N 3.31Å; L196-E198 PolarHBondContact O-N 3.13Å; E198-I200 VanDerWaalsContact C-N 3.29Å; E198-I200 PolarHBondContact O-N 3.3Å; E198-F201 PolarHBondContact O-N 3.45Å; E198-Y202 HydrophobicContact CG-CD2 3.71Å; E198-Y202 HydrophobicContact CG-CE2 3.54Å; E198-Y202 WeakPolarHBondContact O-CD2 3.45Å; E198-Y202 PolarHBondContact O-N 3.3Å; E198-F248 HydrophobicContact CB-CD1 4.34Å; E198-F248 HydrophobicContact CB-CE1 4.02Å; E198-F248 HydrophobicContact CB-CZ 4.23Å; E198-F248 HydrophobicContact CG-CD1 3.98Å; E198-F248 HydrophobicContact CG-CE1 3.61Å; E198-F248 HydrophobicContact CG-CZ 4.24Å
199	E	71.8	Confident	70.5	Confident	52 Å²	52	38.1 Å²	38.1	24%	0.243	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-34.5	178.2	-68.5	-61.7	151.4	0	0	112.8	L166 R170 L196 C203	L166-E199 HydrophobicContact CD1-CB 4.1Å; R170-E199 IonicContact CZ-OE2 3.26Å; R170-E199 IonicContact NH1-OE2 3.65Å; R170-E199 PolarHBondContact NH1-OE2 3.33Å; R170-E199 IonicContact NH2-OE2 2.68Å; R170-E199 PolarHBondContact NH2-OE2 2.92Å; L196-E199 PolarHBondContact O-N 3.48Å; E199-C203 WeakPolarHBondContact O-CB 3.48Å; E199-C203 PolarHBondContact O-N 2.92Å
200	I	71.8	Confident	70.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-47.1	176.7	-67.9	162.6	0	0	0	110.8	L166 L185 F188 A189 A192 L196 L197 E198 C203 I204	L166-I200 HydrophobicContact CD1-CG1 3.9Å; L166-I200 HydrophobicContact CD2-CG1 3.92Å; L185-I200 HydrophobicContact CB-CG2 4.24Å; L185-I200 HydrophobicContact CD2-CG2 4.35Å; F188-I200 HydrophobicContact CD1-CD1 3.42Å; F188-I200 VanDerWaalsContact CD1-CD1 3.42Å; F188-I200 HydrophobicContact CD1-CG1 3.94Å; F188-I200 HydrophobicContact CE1-CD1 3.86Å; F188-I200 HydrophobicContact CE1-CG1 4.32Å; F188-I200 HydrophobicContact CG-CD1 4.18Å; A189-I200 HydrophobicContact CB-CD1 4.36Å; A189-I200 HydrophobicContact CB-CG2 4.03Å; A192-I200 HydrophobicContact CB-CD1 3.56Å; L196-I200 HydrophobicContact CD2-CD1 4.49Å; L196-I200 HydrophobicContact CG-CD1 4.05Å; L196-I200 HydrophobicContact CG-CG1 4.43Å; L196-I200 WeakPolarHBondContact O-CD1 3.41Å; L196-I200 WeakPolarHBondContact O-CG1 3.23Å; L196-I200 PolarHBondContact O-N 2.9Å; L197-I200 PolarHBondContact O-N 3.31Å; E198-I200 VanDerWaalsContact C-N 3.29Å; E198-I200 PolarHBondContact O-N 3.3Å; I200-C203 WeakPolarHBondContact O-CB 3.3Å; I200-C203 PolarHBondContact O-N 2.92Å; I200-I204 HydrophobicContact CG2-CD1 4.01Å; I200-I204 HydrophobicContact CG2-CG1 4.46Å; I200-I204 WeakPolarHBondContact O-CG1 3.45Å; I200-I204 PolarHBondContact O-N 3.32Å
201	F	74.2	Confident	70.2	Confident	14 Å²	14	49.3 Å²	49.3	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-40.2	-179.9	-81.8	-69.6	0	0	0	112.2	L197 E198 C203 I204 A205 L220 F248 I249 T252	L197-F201 HydrophobicContact CD2-CE2 4.31Å; L197-F201 VanDerWaalsContact O-CD2 3.23Å; L197-F201 WeakPolarHBondContact O-CD2 3.34Å; L197-F201 PolarHBondContact O-N 3.09Å; E198-F201 PolarHBondContact O-N 3.45Å; F201-C203 VanDerWaalsContact C-N 3.32Å; F201-C203 PolarHBondContact O-N 3.02Å; F201-I204 HydrophobicContact CD1-CD1 4.36Å; F201-I204 PolarHBondContact O-N 3.44Å; F201-A205 PolarHBondContact O-N 2.84Å; F201-L220 HydrophobicContact CD1-CD2 4.44Å; F201-L220 HydrophobicContact CE1-CD2 3.74Å; F201-F248 HydrophobicContact CB-CB 4.14Å; F201-F248 HydrophobicContact CD2-CB 4.2Å; F201-F248 HydrophobicContact CG-CB 4.28Å; F201-I249 HydrophobicContact CE1-CG1 4Å; F201-I249 HydrophobicContact CE2-CG1 4.41Å; F201-I249 HydrophobicContact CZ-CG1 3.88Å; F201-T252 WeakPolarHBondContact CB-OG1 3.36Å; F201-T252 HydrophobicContact CD1-CG2 4.44Å
202	Y	72.1	Confident	70.2	Confident	105 Å²	105	49.7 Å²	49.7	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-61	-40.9	170.1	-81.1	-64.3	0	0	0	112.1	E198 A205 E206	E198-Y202 HydrophobicContact CG-CD2 3.71Å; E198-Y202 HydrophobicContact CG-CE2 3.54Å; E198-Y202 WeakPolarHBondContact O-CD2 3.45Å; E198-Y202 PolarHBondContact O-N 3.3Å; Y202-A205 PolarHBondContact O-N 3.38Å; Y202-E206 WeakPolarHBondContact O-CG 3.32Å; Y202-E206 PolarHBondContact O-N 3.15Å; Y202-E206 VanDerWaalsContact O-N 3.08Å
203	C	72.5	Confident	70.1	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-39.3	175.8	-172.3	0	0	0	0	111.8	E199 I200 F201 E206 V207	E199-C203 WeakPolarHBondContact O-CB 3.48Å; E199-C203 PolarHBondContact O-N 2.92Å; I200-C203 WeakPolarHBondContact O-CB 3.3Å; I200-C203 PolarHBondContact O-N 2.92Å; F201-C203 VanDerWaalsContact C-N 3.32Å; F201-C203 PolarHBondContact O-N 3.02Å; C203-E206 PolarHBondContact O-N 3.3Å; C203-V207 VanDerWaalsContact O-CB 3.25Å; C203-V207 WeakPolarHBondContact O-CB 3.28Å; C203-V207 VanDerWaalsContact O-CG2 3.24Å; C203-V207 WeakPolarHBondContact O-CG2 3.32Å; C203-V207 PolarHBondContact O-N 2.96Å
204	I	72.9	Confident	70.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-45.9	173.5	-68.3	167.4	0	0	0	110.3	L185 L186 I200 F201 E206 V208 T216 T252	L185-I204 HydrophobicContact CB-CD1 4.16Å; L185-I204 HydrophobicContact CB-CG1 4.01Å; L185-I204 HydrophobicContact CD1-CG1 3.88Å; L186-I204 HydrophobicContact CD2-CD1 3.86Å; L186-I204 HydrophobicContact CG-CD1 4.43Å; I200-I204 HydrophobicContact CG2-CD1 4.01Å; I200-I204 HydrophobicContact CG2-CG1 4.46Å; I200-I204 WeakPolarHBondContact O-CG1 3.45Å; I200-I204 PolarHBondContact O-N 3.32Å; F201-I204 HydrophobicContact CD1-CD1 4.36Å; F201-I204 PolarHBondContact O-N 3.44Å; I204-E206 PolarHBondContact O-N 3.49Å; I204-V208 HydrophobicContact CG2-CG2 3.91Å; I204-V208 WeakPolarHBondContact O-CB 3.08Å; I204-V208 WeakPolarHBondContact O-CG2 3.5Å; I204-V208 PolarHBondContact O-N 3.5Å; I204-T216 HydrophobicContact CG2-CG2 3.88Å; I204-T252 HydrophobicContact CB-CG2 4.4Å; I204-T252 HydrophobicContact CG2-CG2 3.94Å
205	A	72	Confident	70.1	Confident	26 Å²	26	46.2 Å²	46.2	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-29.5	178.8	0	0	0	0	0	113.4	F201 Y202 T252 C255	F201-A205 PolarHBondContact O-N 2.84Å; Y202-A205 PolarHBondContact O-N 3.38Å; A205-T252 HydrophobicContact CB-CG2 4.36Å; A205-C255 HydrophobicContact CB-CB 3.98Å
206	E	70.1	Confident	69.9	Low	119 Å²	119	44.5 Å²	44.5	56%	0.556	23%	0.229	S	C	*	.	H	α-helix	trans	-91.6	-33.7	-178.5	-73.1	179.8	153.2	0	0	114.7	R170 Y202 C203 I204	R170-E206 WeakPolarHBondContact CD-OE2 3.28Å; R170-E206 WeakPolarHBondContact CG-OE2 3.43Å; R170-E206 IonicContact CZ-OE2 2.77Å; R170-E206 IonicContact NE-OE2 3.52Å; R170-E206 PolarHBondContact NE-OE2 3.37Å; R170-E206 IonicContact NH2-OE2 3.63Å; Y202-E206 WeakPolarHBondContact O-CG 3.32Å; Y202-E206 PolarHBondContact O-N 3.15Å; Y202-E206 VanDerWaalsContact O-N 3.08Å; C203-E206 PolarHBondContact O-N 3.3Å; I204-E206 PolarHBondContact O-N 3.49Å
207	V	68.5	Low	69.6	Low	18 Å²	18	44.7 Å²	44.7	11%	0.109	23%	0.231	C	C	.	.	H	α-helix	trans	-90.6	-24.7	-170.8	175.1	0	0	0	0	112.8	V175 L181 C203 A209	V175-V207 HydrophobicContact CG2-CG1 3.95Å; L181-V207 HydrophobicContact CD2-CG1 3.5Å; L181-V207 VanDerWaalsContact CD2-CG1 3.5Å; C203-V207 VanDerWaalsContact O-CB 3.25Å; C203-V207 WeakPolarHBondContact O-CB 3.28Å; C203-V207 VanDerWaalsContact O-CG2 3.24Å; C203-V207 WeakPolarHBondContact O-CG2 3.32Å; C203-V207 PolarHBondContact O-N 2.96Å; V207-A209 PolarHBondContact O-N 2.93Å
208	V	68.8	Low	69.3	Low	10 Å²	10	45.9 Å²	45.9	6%	0.061	24%	0.239	C	C	.	.			trans	-69.8	123.3	-177.1	-177.7	0	0	0	0	109.2	V182 I204 Q212 H213 T216 L256	V182-V208 HydrophobicContact CG2-CG2 3.63Å; I204-V208 HydrophobicContact CG2-CG2 3.91Å; I204-V208 WeakPolarHBondContact O-CB 3.08Å; I204-V208 WeakPolarHBondContact O-CG2 3.5Å; I204-V208 PolarHBondContact O-N 3.5Å; V208-Q212 HydrophobicContact CG1-CB 4.19Å; V208-H213 PolarHBondContact O-NE2 3.28Å; V208-T216 HydrophobicContact CG1-CG2 4.36Å; V208-T216 WeakPolarHBondContact CG1-OG1 2.88Å; V208-T216 HydrophobicContact CG2-CG2 3.89Å; V208-L256 HydrophobicContact CG1-CD2 4.45Å
209	A	65.5	Low	69.2	Low	48 Å²	48	44.4 Å²	44.4	40%	0.397	23%	0.232	S	C	.	.			trans	-74	150.7	174	0	0	0	0	0	111.1	V207 E211 Q212	V207-A209 PolarHBondContact O-N 2.93Å; A209-E211 PolarHBondContact O-N 3.44Å; A209-Q212 PolarHBondContact O-N 3.47Å
210	D	66.7	Low	68.9	Low	127 Å²	127	42.1 Å²	42.1	68%	0.679	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-49.6	-37.8	-178.4	-67.3	-18.3	0	0	0	113.6	Q212 H213	D210-Q212 PolarHBondContact O-N 2.9Å; D210-H213 PolarHBondContact O-N 2.62Å; D210-H213 IonicContact OD1-CE1 2.89Å; D210-H213 PolarHBondContact OD1-CE1 3.39Å; D210-H213 IonicContact OD1-ND1 3.98Å; D210-H213 IonicContact OD1-NE2 3.48Å
211	E	64.4	Low	68.5	Low	185 Å²	185	43.1 Å²	43.1	86%	0.864	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-63.3	-20.9	-180	-60.5	-176.7	177.2	0	0	113.8	A209	A209-E211 PolarHBondContact O-N 3.44Å
212	Q	68	Low	67.9	Low	48 Å²	48	45.6 Å²	45.6	22%	0.224	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-112.4	4.1	-174.7	-60.2	-153.7	-0.4	0	0	114	S178 V208 A209 D210 D214 C215 T216	S178-Q212 VanDerWaalsContact CB-CD 3.42Å; S178-Q212 PolarHBondContact OG-OE1 3.15Å; S178-Q212 VanDerWaalsContact OG-OE1 3.09Å; V208-Q212 HydrophobicContact CG1-CB 4.19Å; A209-Q212 PolarHBondContact O-N 3.47Å; D210-Q212 PolarHBondContact O-N 2.9Å; Q212-D214 PolarHBondContact O-N 3.3Å; Q212-D214 VanDerWaalsContact O-N 3.15Å; Q212-C215 PolarHBondContact O-N 3.27Å; Q212-C215 VanDerWaalsContact O-N 3.12Å; Q212-T216 WeakPolarHBondContact O-CB 3.3Å; Q212-T216 PolarHBondContact O-N 3.33Å; Q212-T216 PolarHBondContact O-OG1 2.71Å; Q212-T216 VanDerWaalsContact O-OG1 3.12Å
213	H	69.8	Low	67.3	Low	11 Å²	11	41.7 Å²	41.7	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-52.6	-37.6	177.3	-72.4	169	0	0	0	112.4	V208 D210 G217 L256 S257 L258	V208-H213 PolarHBondContact O-NE2 3.28Å; D210-H213 PolarHBondContact O-N 2.62Å; D210-H213 IonicContact OD1-CE1 2.89Å; D210-H213 PolarHBondContact OD1-CE1 3.39Å; D210-H213 IonicContact OD1-ND1 3.98Å; D210-H213 IonicContact OD1-NE2 3.48Å; H213-G217 PolarHBondContact O-N 2.81Å; H213-L256 HydrophobicContact CB-CD2 4.42Å; H213-S257 VanDerWaalsContact CB-O 3.24Å; H213-S257 WeakPolarHBondContact CB-O 3.48Å; H213-S257 PolarHBondContact ND1-N 3.34Å; H213-S257 VanDerWaalsContact ND1-N 3.18Å; H213-S257 PolarHBondContact ND1-OG 3.32Å; H213-L258 WeakPolarHBondContact O-CD2 3.34Å
214	D	68.1	Low	66.5	Low	47 Å²	47	42.2 Å²	42.2	25%	0.251	22%	0.224	S	C	.	.	H	α-helix	trans	-68.1	-43	178.3	-67.4	-33.8	0	0	0	114.4	Q212 S218 L258 S259	Q212-D214 PolarHBondContact O-N 3.3Å; Q212-D214 VanDerWaalsContact O-N 3.15Å; D214-S218 VanDerWaalsContact O-CB 3.25Å; D214-S218 WeakPolarHBondContact O-CB 3.45Å; D214-S218 PolarHBondContact O-N 3.32Å; D214-S218 PolarHBondContact O-OG 3.41Å; D214-L258 VanDerWaalsContact OD1-CA 3.24Å; D214-L258 WeakPolarHBondContact OD1-CA 3.41Å; D214-S259 PolarHBondContact OD1-N 3.1Å; D214-S259 PolarHBondContact OD1-OG 3.44Å; D214-S259 WeakPolarHBondContact OD2-CB 3.31Å; D214-S259 PolarHBondContact OD2-OG 2.98Å
215	C	68.6	Low	65.6	Low	43 Å²	43	43.2 Å²	43.2	29%	0.291	23%	0.23	S	C	.	.	H	α-helix	trans	-67.4	-45.5	178.6	-173.2	0	0	0	0	109.7	Q212 S218 K219	Q212-C215 PolarHBondContact O-N 3.27Å; Q212-C215 VanDerWaalsContact O-N 3.12Å; C215-S218 PolarHBondContact O-N 2.95Å; C215-K219 WeakPolarHBondContact O-CB 3.18Å; C215-K219 WeakPolarHBondContact O-CG 3.18Å; C215-K219 PolarHBondContact O-N 3.03Å
216	T	67.7	Low	64.4	Low	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-48.1	176.4	-60.1	0	0	0	0	111.6	V182 I204 V208 Q212 S218 K219 L220 L256	V182-T216 HydrophobicContact CG1-CG2 3.89Å; V182-T216 HydrophobicContact CG2-CG2 4.38Å; I204-T216 HydrophobicContact CG2-CG2 3.88Å; V208-T216 HydrophobicContact CG1-CG2 4.36Å; V208-T216 WeakPolarHBondContact CG1-OG1 2.88Å; V208-T216 HydrophobicContact CG2-CG2 3.89Å; Q212-T216 WeakPolarHBondContact O-CB 3.3Å; Q212-T216 PolarHBondContact O-N 3.33Å; Q212-T216 PolarHBondContact O-OG1 2.71Å; Q212-T216 VanDerWaalsContact O-OG1 3.12Å; T216-S218 VanDerWaalsContact C-N 3.33Å; T216-S218 PolarHBondContact O-N 3.18Å; T216-K219 PolarHBondContact O-N 2.79Å; T216-L220 HydrophobicContact CG2-CD1 3.87Å; T216-L220 HydrophobicContact CG2-CG 4.42Å; T216-L220 WeakPolarHBondContact O-CB 3.42Å; T216-L220 WeakPolarHBondContact O-CG 3.49Å; T216-L220 PolarHBondContact O-N 3.48Å; T216-L256 HydrophobicContact CG2-CD1 4.13Å; T216-L256 HydrophobicContact CG2-CD2 4.19Å
217	G	67.4	Low	63.3	Low	5 Å²	5	38.8 Å²	38.8	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-40.7	176.5	0	0	0	0	0	112.4	H213 W221	H213-G217 PolarHBondContact O-N 2.81Å; G217-W221 WeakPolarHBondContact O-CB 3.44Å; G217-W221 PolarHBondContact O-N 3.43Å
218	S	65.7	Low	61.9	Low	29 Å²	29	43 Å²	43	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-40.5	174.4	-74	0	0	0	0	112.9	D214 C215 T216 Y222 K266	D214-S218 VanDerWaalsContact O-CB 3.25Å; D214-S218 WeakPolarHBondContact O-CB 3.45Å; D214-S218 PolarHBondContact O-N 3.32Å; D214-S218 PolarHBondContact O-OG 3.41Å; C215-S218 PolarHBondContact O-N 2.95Å; T216-S218 VanDerWaalsContact C-N 3.33Å; T216-S218 PolarHBondContact O-N 3.18Å; S218-Y222 WeakPolarHBondContact O-CB 3.5Å; S218-Y222 PolarHBondContact O-N 3.18Å; S218-K266 PolarHBondContact OG-NZ 3.26Å
219	K	66.3	Low	60.3	Low	44 Å²	44	45.5 Å²	45.5	19%	0.191	26%	0.255	C	S	.	.	H	α-helix	trans	-71.8	-43.4	178.3	-76.3	-179.9	179.2	-178.9	0	111.9	E179 S183 L186 C215 T216 W221 Y222 V223	E179-K219 IonicContact OE1-NZ 2.65Å; E179-K219 PolarHBondContact OE1-NZ 3.35Å; S183-K219 PolarHBondContact OG-NZ 2.89Å; L186-K219 HydrophobicContact CD1-CB 3.78Å; C215-K219 WeakPolarHBondContact O-CB 3.18Å; C215-K219 WeakPolarHBondContact O-CG 3.18Å; C215-K219 PolarHBondContact O-N 3.03Å; T216-K219 PolarHBondContact O-N 2.79Å; K219-W221 VanDerWaalsContact C-N 3.32Å; K219-W221 PolarHBondContact O-N 2.76Å; K219-Y222 WeakPolarHBondContact O-CB 3.28Å; K219-Y222 PolarHBondContact O-N 3.47Å; K219-V223 WeakPolarHBondContact O-CB 3.49Å; K219-V223 VanDerWaalsContact O-CG2 3.29Å; K219-V223 WeakPolarHBondContact O-CG2 3.45Å; K219-V223 PolarHBondContact O-N 3.35Å
220	L	66.7	Low	59.3	Low	3 Å²	3	50 Å²	50	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-49.6	170.8	-81.3	166.9	0	0	0	110.1	L186 F201 T216 Y222 V223 L224 T252 F253 L256	L186-L220 HydrophobicContact CD2-CD2 3.44Å; L186-L220 VanDerWaalsContact CD2-CD2 3.44Å; L186-L220 HydrophobicContact CD2-CG 4.13Å; F201-L220 HydrophobicContact CD1-CD2 4.44Å; F201-L220 HydrophobicContact CE1-CD2 3.74Å; T216-L220 HydrophobicContact CG2-CD1 3.87Å; T216-L220 HydrophobicContact CG2-CG 4.42Å; T216-L220 WeakPolarHBondContact O-CB 3.42Å; T216-L220 WeakPolarHBondContact O-CG 3.49Å; T216-L220 PolarHBondContact O-N 3.48Å; L220-Y222 VanDerWaalsContact C-N 3.31Å; L220-Y222 PolarHBondContact O-N 2.85Å; L220-V223 PolarHBondContact O-N 3.3Å; L220-L224 HydrophobicContact CB-CD1 4.49Å; L220-L224 VanDerWaalsContact O-CB 3.32Å; L220-L224 WeakPolarHBondContact O-CB 3.42Å; L220-L224 VanDerWaalsContact O-CD1 3.28Å; L220-L224 WeakPolarHBondContact O-CD1 3.24Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.29Å; L220-T252 HydrophobicContact CD1-CG2 4.02Å; L220-F253 HydrophobicContact CB-CE1 4.24Å; L220-F253 HydrophobicContact CB-CE2 4.14Å; L220-F253 HydrophobicContact CB-CZ 3.6Å; L220-F253 HydrophobicContact CD1-CZ 4.46Å; L220-L256 HydrophobicContact CD1-CD1 3.7Å
221	W	62.8	Low	58.2	Low	22 Å²	22	52.4 Å²	52.4	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-45.3	175.6	-178.8	90.6	0	0	0	112.1	G217 K219 V223 L224 V225 C226 K266 L270	G217-W221 WeakPolarHBondContact O-CB 3.44Å; G217-W221 PolarHBondContact O-N 3.43Å; K219-W221 VanDerWaalsContact C-N 3.32Å; K219-W221 PolarHBondContact O-N 2.76Å; W221-V223 PolarHBondContact O-N 3.38Å; W221-L224 PolarHBondContact O-N 3.49Å; W221-L224 VanDerWaalsContact O-N 3.13Å; W221-V225 HydrophobicContact CD2-CB 4.07Å; W221-V225 HydrophobicContact CD2-CG2 4.37Å; W221-V225 HydrophobicContact CG-CB 4.35Å; W221-V225 HydrophobicContact CG-CG2 4.15Å; W221-V225 HydrophobicContact CH2-CG1 4.44Å; W221-V225 HydrophobicContact CZ2-CB 4.12Å; W221-V225 HydrophobicContact CZ2-CG1 3.67Å; W221-V225 VanDerWaalsContact O-CB 3.28Å; W221-V225 WeakPolarHBondContact O-CB 2.96Å; W221-V225 PolarHBondContact O-N 2.78Å; W221-C226 WeakPolarHBondContact CH2-SG 3.33Å; W221-C226 HydrophobicContact CZ3-CB 4.11Å; W221-C226 WeakPolarHBondContact CZ3-SG 3.48Å; W221-K266 HydrophobicContact CD2-CB 4.21Å; W221-K266 HydrophobicContact CD2-CD 4.34Å; W221-K266 HydrophobicContact CD2-CG 4.35Å; W221-K266 HydrophobicContact CE3-CD 4.08Å; W221-K266 HydrophobicContact CE3-CG 4.38Å; W221-K266 HydrophobicContact CG-CB 4.33Å; W221-K266 HydrophobicContact CZ3-CD 4.36Å; W221-K266 HydrophobicContact CZ3-CG 4.46Å; W221-K266 PolarHBondContact NE1-O 3.16Å; W221-L270 HydrophobicContact CG-CD1 4.47Å
222	Y	61.3	Low	56.9	Low	65 Å²	65	46.4 Å²	46.4	26%	0.255	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-49.5	179.9	-159.6	-85	0	0	0	111.4	S218 K219 L220 L224 C226 T228 T229	S218-Y222 WeakPolarHBondContact O-CB 3.5Å; S218-Y222 PolarHBondContact O-N 3.18Å; K219-Y222 WeakPolarHBondContact O-CB 3.28Å; K219-Y222 PolarHBondContact O-N 3.47Å; L220-Y222 VanDerWaalsContact C-N 3.31Å; L220-Y222 PolarHBondContact O-N 2.85Å; Y222-L224 PolarHBondContact O-N 3.14Å; Y222-C226 HydrophobicContact CD1-CB 4.47Å; Y222-C226 HydrophobicContact CD2-CB 3.91Å; Y222-C226 HydrophobicContact CE1-CB 4.31Å; Y222-C226 VanDerWaalsContact CE1-O 3.27Å; Y222-C226 WeakPolarHBondContact CE1-O 3.25Å; Y222-C226 HydrophobicContact CE2-CB 3.78Å; Y222-C226 HydrophobicContact CG-CB 4.26Å; Y222-C226 CarbonylContact O-C 3.22Å; Y222-C226 WeakPolarHBondContact O-CA 3.24Å; Y222-C226 PolarHBondContact O-N 3.25Å; Y222-C226 VanDerWaalsContact O-N 3.09Å; Y222-T228 PolarHBondContact OH-O 3.44Å; Y222-T229 HydrophobicContact CD1-CG2 4.45Å; Y222-T229 HydrophobicContact CE1-CG2 3.49Å; Y222-T229 VanDerWaalsContact CE1-CG2 3.49Å; Y222-T229 VanDerWaalsContact CE1-N 3.26Å; Y222-T229 WeakPolarHBondContact CE1-OG1 3.27Å; Y222-T229 HydrophobicContact CE2-CG2 4.1Å; Y222-T229 VanDerWaalsContact OH-CA 3.29Å; Y222-T229 WeakPolarHBondContact OH-CA 3.12Å; Y222-T229 WeakPolarHBondContact OH-CB 3.42Å; Y222-T229 WeakPolarHBondContact OH-CG2 3.48Å; Y222-T229 PolarHBondContact OH-N 3.27Å
223	V	59.9	Low	55.4	Low	24 Å²	24	49.2 Å²	49.2	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-34	176.4	173.2	0	0	0	0	110.9	L186 K219 L220 W221 C235 L238	L186-V223 HydrophobicContact CD1-CG2 4.45Å; K219-V223 WeakPolarHBondContact O-CB 3.49Å; K219-V223 VanDerWaalsContact O-CG2 3.29Å; K219-V223 WeakPolarHBondContact O-CG2 3.45Å; K219-V223 PolarHBondContact O-N 3.35Å; L220-V223 PolarHBondContact O-N 3.3Å; W221-V223 PolarHBondContact O-N 3.38Å; V223-C235 HydrophobicContact CG1-CB 4.15Å; V223-C235 CarbonylContact O-C 3.37Å; V223-C235 WeakPolarHBondContact O-CB 3.4Å; V223-L238 HydrophobicContact CG1-CD1 3.92Å
224	L	55.9	Low	53.6	Low	11 Å²	11	52.6 Å²	52.6	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-88.9	-36.3	-174.8	-67.5	166.1	0	0	0	114.8	L220 W221 Y222 L238 M239 I249 F253	L220-L224 HydrophobicContact CB-CD1 4.49Å; L220-L224 VanDerWaalsContact O-CB 3.32Å; L220-L224 WeakPolarHBondContact O-CB 3.42Å; L220-L224 VanDerWaalsContact O-CD1 3.28Å; L220-L224 WeakPolarHBondContact O-CD1 3.24Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.29Å; W221-L224 PolarHBondContact O-N 3.49Å; W221-L224 VanDerWaalsContact O-N 3.13Å; Y222-L224 PolarHBondContact O-N 3.14Å; L224-L238 HydrophobicContact CD2-CB 4.3Å; L224-M239 HydrophobicContact CD2-CG 4.24Å; L224-I249 HydrophobicContact CD1-CD1 4.37Å; L224-I249 HydrophobicContact CD1-CG1 4.41Å; L224-I249 HydrophobicContact CD1-CG2 3.43Å; L224-I249 VanDerWaalsContact CD1-CG2 3.43Å; L224-I249 HydrophobicContact CD2-CD1 3.39Å; L224-I249 HydrophobicContact CD2-CG1 4.17Å; L224-I249 HydrophobicContact CD2-CG2 4.47Å; L224-F253 HydrophobicContact CD1-CE2 3.6Å; L224-F253 HydrophobicContact CD1-CZ 4.19Å
225	V	52.7	Low	52	Low	21 Å²	21	50.5 Å²	50.5	13%	0.127	30%	0.296	C	S	.	.	H	α-helix	trans	-111.4	-43.2	-165.8	-179.5	0	0	0	0	111.5	W221 K273	W221-V225 HydrophobicContact CD2-CB 4.07Å; W221-V225 HydrophobicContact CD2-CG2 4.37Å; W221-V225 HydrophobicContact CG-CB 4.35Å; W221-V225 HydrophobicContact CG-CG2 4.15Å; W221-V225 HydrophobicContact CH2-CG1 4.44Å; W221-V225 HydrophobicContact CZ2-CB 4.12Å; W221-V225 HydrophobicContact CZ2-CG1 3.67Å; W221-V225 VanDerWaalsContact O-CB 3.28Å; W221-V225 WeakPolarHBondContact O-CB 2.96Å; W221-V225 PolarHBondContact O-N 2.78Å; V225-K273 HydrophobicContact CG1-CD 3.95Å
226	C	47.9	Very low	50.7	Low	31 Å²	31	51.5 Å²	51.5	21%	0.209	30%	0.304	C	S	.	.			trans	-104.8	87.2	-176.9	-79.5	0	0	0	0	109.6	W221 Y222 T228	W221-C226 WeakPolarHBondContact CH2-SG 3.33Å; W221-C226 HydrophobicContact CZ3-CB 4.11Å; W221-C226 WeakPolarHBondContact CZ3-SG 3.48Å; Y222-C226 HydrophobicContact CD1-CB 4.47Å; Y222-C226 HydrophobicContact CD2-CB 3.91Å; Y222-C226 HydrophobicContact CE1-CB 4.31Å; Y222-C226 VanDerWaalsContact CE1-O 3.27Å; Y222-C226 WeakPolarHBondContact CE1-O 3.25Å; Y222-C226 HydrophobicContact CE2-CB 3.78Å; Y222-C226 HydrophobicContact CG-CB 4.26Å; Y222-C226 CarbonylContact O-C 3.22Å; Y222-C226 WeakPolarHBondContact O-CA 3.24Å; Y222-C226 PolarHBondContact O-N 3.25Å; Y222-C226 VanDerWaalsContact O-N 3.09Å; C226-T228 PolarHBondContact O-N 3.02Å
227	G	47.1	Very low	49.7	Very low	21 Å²	21	55.7 Å²	55.7	22%	0.216	32%	0.323	C	S	.	.			trans	-64	27.4	171.2	0	0	0	0	0	115.1
228	T	39.4	Very low	48.6	Very low	107 Å²	107	57.1 Å²	57.1	66%	0.656	33%	0.33	S	S	*	.			trans	-133.3	38.1	-160.5	50.4	0	0	0	0	115.2	Y222 C226	Y222-T228 PolarHBondContact OH-O 3.44Å; C226-T228 PolarHBondContact O-N 3.02Å
229	T	34.4	Very low	47.9	Very low	63 Å²	63	57.6 Å²	57.6	39%	0.387	33%	0.329	S	S	.	.			trans	-103.5	131.6	152.9	42.3	0	0	0	0	107.3	Y222 E231 L232	Y222-T229 HydrophobicContact CD1-CG2 4.45Å; Y222-T229 HydrophobicContact CE1-CG2 3.49Å; Y222-T229 VanDerWaalsContact CE1-CG2 3.49Å; Y222-T229 VanDerWaalsContact CE1-N 3.26Å; Y222-T229 WeakPolarHBondContact CE1-OG1 3.27Å; Y222-T229 HydrophobicContact CE2-CG2 4.1Å; Y222-T229 VanDerWaalsContact OH-CA 3.29Å; Y222-T229 WeakPolarHBondContact OH-CA 3.12Å; Y222-T229 WeakPolarHBondContact OH-CB 3.42Å; Y222-T229 WeakPolarHBondContact OH-CG2 3.48Å; Y222-T229 PolarHBondContact OH-N 3.27Å; T229-E231 PolarHBondContact O-N 2.73Å; T229-L232 PolarHBondContact O-N 3.31Å
230	T	45	Very low	47.1	Very low	143 Å²	143	63.4 Å²	63.4	88%	0.877	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-3.3	-175.7	43.1	0	0	0	0	116.3
231	E	43.5	Very low	46.2	Very low	177 Å²	177	69.9 Å²	69.9	83%	0.827	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-7.9	177.5	-66.3	179.3	173.1	0	0	113.8	T229	T229-E231 PolarHBondContact O-N 2.73Å
232	L	36.2	Very low	46	Very low	59 Å²	59	73.5 Å²	73.5	31%	0.309	40%	0.404	S	S	.	.			trans	-145.6	66	177.4	-75.4	104.5	0	0	0	111.8	N187 M190 T229 C234 C235	N187-L232 WeakPolarHBondContact OD1-CD2 3.34Å; M190-L232 HydrophobicContact SD-CD2 3.41Å; M190-L232 WeakPolarHBondContact SD-CD2 3.47Å; T229-L232 PolarHBondContact O-N 3.31Å; L232-C234 PolarHBondContact O-N 3.01Å; L232-C235 PolarHBondContact O-SG 2.81Å
233	S	36.6	Very low	45.9	Very low	107 Å²	107	73.3 Å²	73.3	75%	0.748	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	33.3	-169.7	85.4	0	0	0	0	116.5
234	C	33.1	Very low	45.8	Very low	81 Å²	81	76.1 Å²	76.1	55%	0.547	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	9	-173.3	-142.3	0	0	0	0	115.8	M190 L232	M190-C234 HydrophobicContact CE-CB 4.07Å; L232-C234 PolarHBondContact O-N 3.01Å
235	C	34.7	Very low	46.1	Very low	3 Å²	3	75.9 Å²	75.9	2%	0.02	42%	0.421	C	S	.	.			trans	-108.2	-9.8	-153.1	-44.8	0	0	0	0	118.3	M190 V223 L232 E237 L238	M190-C235 WeakPolarHBondContact CE-SG 3.46Å; M190-C235 PolarHBondContact SD-SG 2.88Å; V223-C235 HydrophobicContact CG1-CB 4.15Å; V223-C235 CarbonylContact O-C 3.37Å; V223-C235 WeakPolarHBondContact O-CB 3.4Å; L232-C235 PolarHBondContact O-SG 2.81Å; C235-E237 PolarHBondContact O-N 3.27Å; C235-L238 PolarHBondContact O-N 3.08Å
236	S	40.4	Very low	46.6	Very low	64 Å²	64	75.1 Å²	75.1	45%	0.448	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-8.3	173.1	72.8	0	0	0	0	113.3
237	E	46.2	Very low	47.4	Very low	89 Å²	89	76.5 Å²	76.5	42%	0.416	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.1	-178.3	-82.6	169.4	-170.5	0	0	113.3	C235 M239 E240 E241	C235-E237 PolarHBondContact O-N 3.27Å; E237-M239 PolarHBondContact O-N 3.15Å; E237-E240 PolarHBondContact O-N 2.86Å; E237-E241 HydrophobicContact CB-CB 4.49Å; E237-E241 HydrophobicContact CB-CG 3.8Å; E237-E241 HydrophobicContact CG-CG 4.05Å; E237-E241 WeakPolarHBondContact O-CA 3.22Å; E237-E241 WeakPolarHBondContact O-CB 3.43Å; E237-E241 PolarHBondContact O-N 3.45Å
238	L	45.8	Very low	48.3	Very low	35 Å²	35	76.8 Å²	76.8	18%	0.183	42%	0.415	C	S	.	.	H	α-helix	trans	-65.9	-44.5	-173.2	-91.4	156.6	0	0	0	114.1	V223 L224 C235 K242 L245	V223-L238 HydrophobicContact CG1-CD1 3.92Å; L224-L238 HydrophobicContact CD2-CB 4.3Å; C235-L238 PolarHBondContact O-N 3.08Å; L238-K242 CarbonylContact O-C 3.6Å; L238-K242 WeakPolarHBondContact O-CA 3.33Å; L238-K242 WeakPolarHBondContact O-CB 3.23Å; L238-K242 PolarHBondContact O-N 2.84Å; L238-K242 VanDerWaalsContact O-N 3.12Å; L238-L245 HydrophobicContact CD2-CD1 3.45Å; L238-L245 VanDerWaalsContact CD2-CD1 3.45Å
239	M	49.8	Very low	49.6	Very low	39 Å²	39	71.9 Å²	71.9	19%	0.192	39%	0.385	C	S	.	.	H	α-helix	trans	-78	-35.5	176.4	-80.3	-177.8	69.1	0	0	113	L224 E237 T246 I249 L274	L224-M239 HydrophobicContact CD2-CG 4.24Å; E237-M239 PolarHBondContact O-N 3.15Å; M239-T246 HydrophobicContact CE-CG2 3.83Å; M239-I249 HydrophobicContact CG-CD1 4.17Å; M239-L274 HydrophobicContact CE-CD2 3.4Å; M239-L274 HydrophobicContact CE-CG 4.38Å
240	E	49.4	Very low	51.1	Low	167 Å²	167	69 Å²	69	78%	0.78	37%	0.367	S	S	*	.	H	α-helix	trans	-75.6	-42.7	179.7	-76	-171.2	170.1	0	0	112.4	E237	E237-E240 PolarHBondContact O-N 2.86Å
241	E	48.4	Very low	52.2	Low	139 Å²	139	64.3 Å²	64.3	65%	0.65	34%	0.336	S	S	*	.	H	α-helix	trans	-81.2	-32.6	179	-68.6	-145.2	152.1	0	0	113.5	E237 P243	E237-E241 HydrophobicContact CB-CB 4.49Å; E237-E241 HydrophobicContact CB-CG 3.8Å; E237-E241 HydrophobicContact CG-CG 4.05Å; E237-E241 WeakPolarHBondContact O-CA 3.22Å; E237-E241 WeakPolarHBondContact O-CB 3.43Å; E237-E241 PolarHBondContact O-N 3.45Å; E241-P243 VanDerWaalsContact C-CD 3.49Å; E241-P243 WeakPolarHBondContact O-CD 3.07Å
242	K	59.4	Low	53.5	Low	97 Å²	97	56 Å²	56	42%	0.422	30%	0.298	S	S	.	.			trans	-124.5	73.3	179.3	-64.7	-175.2	-179.4	174.9	0	110.4	L238 E244 L245	L238-K242 CarbonylContact O-C 3.6Å; L238-K242 WeakPolarHBondContact O-CA 3.33Å; L238-K242 WeakPolarHBondContact O-CB 3.23Å; L238-K242 PolarHBondContact O-N 2.84Å; L238-K242 VanDerWaalsContact O-N 3.12Å; K242-E244 PolarHBondContact O-N 2.99Å; K242-L245 HydrophobicContact CB-CD1 3.78Å; K242-L245 HydrophobicContact CB-CG 3.93Å; K242-L245 HydrophobicContact CD-CD1 3.99Å; K242-L245 WeakPolarHBondContact O-CB 3.27Å; K242-L245 PolarHBondContact O-N 3.44Å
243	P	58.2	Low	55.1	Low	62 Å²	62	53.5 Å²	53.5	40%	0.403	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-54.7	-26.2	176.1	22.4	-34	0	0	0	112.6	E241 L245 T246 Q285	E241-P243 VanDerWaalsContact C-CD 3.49Å; E241-P243 WeakPolarHBondContact O-CD 3.07Å; P243-L245 PolarHBondContact O-N 3.32Å; P243-L245 VanDerWaalsContact O-N 3.14Å; P243-T246 VanDerWaalsContact O-CB 3.3Å; P243-T246 WeakPolarHBondContact O-CB 3.5Å; P243-T246 PolarHBondContact O-N 3.4Å; P243-T246 PolarHBondContact O-OG1 3.19Å; P243-Q285 PolarHBondContact O-NE2 2.95Å
244	E	57.2	Low	56.6	Low	83 Å²	83	49.5 Å²	49.5	39%	0.388	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-54	-26.1	172.4	-53	-175.9	145.3	0	0	113.9	R194 K242 F248	R194-E244 VanDerWaalsContact CZ-CD 3.41Å; R194-E244 IonicContact CZ-OE1 3.28Å; R194-E244 IonicContact CZ-OE2 3.25Å; R194-E244 IonicContact NE-OE2 3.9Å; R194-E244 IonicContact NH1-OE1 2.7Å; R194-E244 PolarHBondContact NH1-OE1 3.37Å; R194-E244 IonicContact NH1-OE2 3.98Å; R194-E244 PolarHBondContact NH1-OE2 2.85Å; R194-E244 IonicContact NH2-OE1 3.81Å; R194-E244 PolarHBondContact NH2-OE1 3.13Å; R194-E244 IonicContact NH2-OE2 2.79Å; K242-E244 PolarHBondContact O-N 2.99Å; E244-F248 WeakPolarHBondContact O-CE2 3.31Å
245	L	62.1	Low	58.3	Low	5 Å²	5	49.5 Å²	49.5	3%	0.026	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-81.5	-16	179.9	-64.4	176.6	0	0	0	113.6	L197 L238 K242 P243 E247 F248 I249	L197-L245 HydrophobicContact CB-CD2 4.09Å; L197-L245 HydrophobicContact CD1-CD1 4.26Å; L197-L245 HydrophobicContact CD1-CD2 3.71Å; L197-L245 HydrophobicContact CG-CD2 4.37Å; L238-L245 HydrophobicContact CD2-CD1 3.45Å; L238-L245 VanDerWaalsContact CD2-CD1 3.45Å; K242-L245 HydrophobicContact CB-CD1 3.78Å; K242-L245 HydrophobicContact CB-CG 3.93Å; K242-L245 HydrophobicContact CD-CD1 3.99Å; K242-L245 WeakPolarHBondContact O-CB 3.27Å; K242-L245 PolarHBondContact O-N 3.44Å; P243-L245 PolarHBondContact O-N 3.32Å; P243-L245 VanDerWaalsContact O-N 3.14Å; L245-E247 PolarHBondContact O-N 2.82Å; L245-F248 HydrophobicContact CD2-CD2 4.1Å; L245-F248 PolarHBondContact O-N 2.83Å; L245-I249 HydrophobicContact CB-CD1 3.83Å; L245-I249 WeakPolarHBondContact O-CB 3.47Å; L245-I249 VanDerWaalsContact O-CD1 3.32Å; L245-I249 WeakPolarHBondContact O-CD1 3.34Å; L245-I249 VanDerWaalsContact O-CG1 3.25Å; L245-I249 WeakPolarHBondContact O-CG1 3.21Å; L245-I249 PolarHBondContact O-N 3.33Å
246	T	64.4	Low	60	Low	5 Å²	5	49.6 Å²	49.6	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-34.5	-175.5	-48	0	0	0	0	112.1	M239 P243 A250 L274 M281	M239-T246 HydrophobicContact CE-CG2 3.83Å; P243-T246 VanDerWaalsContact O-CB 3.3Å; P243-T246 WeakPolarHBondContact O-CB 3.5Å; P243-T246 PolarHBondContact O-N 3.4Å; P243-T246 PolarHBondContact O-OG1 3.19Å; T246-A250 WeakPolarHBondContact O-CB 3.47Å; T246-A250 PolarHBondContact O-N 3.33Å; T246-L274 HydrophobicContact CG2-CD2 3.9Å; T246-M281 HydrophobicContact CG2-CE 3.53Å
247	E	63.5	Low	61.3	Low	60 Å²	60	49.7 Å²	49.7	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-58.7	-57	176.4	-168.7	176.9	173.9	0	0	110.7	L245 I249 A250 D251 S288	L245-E247 PolarHBondContact O-N 2.82Å; E247-I249 PolarHBondContact O-N 3.33Å; E247-A250 PolarHBondContact O-N 2.92Å; E247-D251 PolarHBondContact O-N 3.39Å; E247-S288 VanDerWaalsContact CG-OG 3.3Å; E247-S288 WeakPolarHBondContact CG-OG 3.46Å; E247-S288 WeakPolarHBondContact O-CB 3.41Å
248	F	66.8	Low	62.3	Low	27 Å²	27	46.3 Å²	46.3	12%	0.118	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-37.7	-178.1	-48.5	-62.8	0	0	0	113	E198 F201 E244 L245 T252	E198-F248 HydrophobicContact CB-CD1 4.34Å; E198-F248 HydrophobicContact CB-CE1 4.02Å; E198-F248 HydrophobicContact CB-CZ 4.23Å; E198-F248 HydrophobicContact CG-CD1 3.98Å; E198-F248 HydrophobicContact CG-CE1 3.61Å; E198-F248 HydrophobicContact CG-CZ 4.24Å; F201-F248 HydrophobicContact CB-CB 4.14Å; F201-F248 HydrophobicContact CD2-CB 4.2Å; F201-F248 HydrophobicContact CG-CB 4.28Å; E244-F248 WeakPolarHBondContact O-CE2 3.31Å; L245-F248 HydrophobicContact CD2-CD2 4.1Å; L245-F248 PolarHBondContact O-N 2.83Å; F248-T252 WeakPolarHBondContact O-CB 3.35Å; F248-T252 PolarHBondContact O-N 3.45Å; F248-T252 PolarHBondContact O-OG1 3.36Å
249	I	66.7	Low	63.2	Low	5 Å²	5	47 Å²	47	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-49.1	178	-70.7	160.2	0	0	0	110.1	F201 L224 M239 L245 E247 D251 T252 F253	F201-I249 HydrophobicContact CE1-CG1 4Å; F201-I249 HydrophobicContact CE2-CG1 4.41Å; F201-I249 HydrophobicContact CZ-CG1 3.88Å; L224-I249 HydrophobicContact CD1-CD1 4.37Å; L224-I249 HydrophobicContact CD1-CG1 4.41Å; L224-I249 HydrophobicContact CD1-CG2 3.43Å; L224-I249 VanDerWaalsContact CD1-CG2 3.43Å; L224-I249 HydrophobicContact CD2-CD1 3.39Å; L224-I249 HydrophobicContact CD2-CG1 4.17Å; L224-I249 HydrophobicContact CD2-CG2 4.47Å; M239-I249 HydrophobicContact CG-CD1 4.17Å; L245-I249 HydrophobicContact CB-CD1 3.83Å; L245-I249 WeakPolarHBondContact O-CB 3.47Å; L245-I249 VanDerWaalsContact O-CD1 3.32Å; L245-I249 WeakPolarHBondContact O-CD1 3.34Å; L245-I249 VanDerWaalsContact O-CG1 3.25Å; L245-I249 WeakPolarHBondContact O-CG1 3.21Å; L245-I249 PolarHBondContact O-N 3.33Å; E247-I249 PolarHBondContact O-N 3.33Å; I249-D251 VanDerWaalsContact C-N 3.3Å; I249-D251 PolarHBondContact O-N 3.07Å; I249-T252 PolarHBondContact O-N 3.05Å; I249-F253 HydrophobicContact CG2-CD2 3.63Å; I249-F253 HydrophobicContact CG2-CE2 3.67Å; I249-F253 VanDerWaalsContact O-CD2 3.27Å; I249-F253 WeakPolarHBondContact O-CD2 3.36Å; I249-F253 PolarHBondContact O-N 2.95Å
250	A	66.7	Low	63.6	Low	1 Å²	1	49.8 Å²	49.8	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-39.6	-179.8	0	0	0	0	0	111.3	T246 E247 F253 A254 S288 F292	T246-A250 WeakPolarHBondContact O-CB 3.47Å; T246-A250 PolarHBondContact O-N 3.33Å; E247-A250 PolarHBondContact O-N 2.92Å; A250-F253 PolarHBondContact O-N 3.46Å; A250-A254 WeakPolarHBondContact O-CB 3.06Å; A250-A254 PolarHBondContact O-N 3.4Å; A250-S288 WeakPolarHBondContact CB-O 3.31Å; A250-F292 HydrophobicContact CB-CB 4.48Å
251	D	68.1	Low	64	Low	45 Å²	45	49.1 Å²	49.1	24%	0.241	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-39.5	175.1	-72.4	-25	0	0	0	112.2	E247 I249 F253 A254 C255 S288	E247-D251 PolarHBondContact O-N 3.39Å; I249-D251 VanDerWaalsContact C-N 3.3Å; I249-D251 PolarHBondContact O-N 3.07Å; D251-F253 PolarHBondContact O-N 3.47Å; D251-A254 PolarHBondContact O-N 2.94Å; D251-C255 PolarHBondContact O-N 3.23Å; D251-C255 PolarHBondContact O-SG 2.72Å; D251-C255 VanDerWaalsContact O-SG 3.34Å; D251-S288 VanDerWaalsContact CG-OG 3.31Å; D251-S288 WeakPolarHBondContact OD1-CB 3.22Å; D251-S288 PolarHBondContact OD1-OG 2.89Å; D251-S288 VanDerWaalsContact OD1-OG 3.09Å; D251-S288 PolarHBondContact OD2-OG 3.33Å
252	T	69.9	Low	64.3	Low	4 Å²	4	47.5 Å²	47.5	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-46.1	173.1	-54.1	0	0	0	0	110.6	F201 I204 A205 L220 F248 I249 A254 C255 L256	F201-T252 WeakPolarHBondContact CB-OG1 3.36Å; F201-T252 HydrophobicContact CD1-CG2 4.44Å; I204-T252 HydrophobicContact CB-CG2 4.4Å; I204-T252 HydrophobicContact CG2-CG2 3.94Å; A205-T252 HydrophobicContact CB-CG2 4.36Å; L220-T252 HydrophobicContact CD1-CG2 4.02Å; F248-T252 WeakPolarHBondContact O-CB 3.35Å; F248-T252 PolarHBondContact O-N 3.45Å; F248-T252 PolarHBondContact O-OG1 3.36Å; I249-T252 PolarHBondContact O-N 3.05Å; T252-A254 VanDerWaalsContact C-N 3.32Å; T252-A254 PolarHBondContact O-N 3.05Å; T252-C255 WeakPolarHBondContact O-CB 3.4Å; T252-C255 PolarHBondContact O-N 3.48Å; T252-C255 VanDerWaalsContact O-N 3.13Å; T252-L256 WeakPolarHBondContact O-CG 3.47Å; T252-L256 PolarHBondContact O-N 3.01Å
253	F	69.6	Low	64.1	Low	5 Å²	5	43.2 Å²	43.2	2%	0.022	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-33.8	177.1	-87.6	-69.7	0	0	0	113.2	L220 L224 I249 A250 D251 C255 L256 L270 F292	L220-F253 HydrophobicContact CB-CE1 4.24Å; L220-F253 HydrophobicContact CB-CE2 4.14Å; L220-F253 HydrophobicContact CB-CZ 3.6Å; L220-F253 HydrophobicContact CD1-CZ 4.46Å; L224-F253 HydrophobicContact CD1-CE2 3.6Å; L224-F253 HydrophobicContact CD1-CZ 4.19Å; I249-F253 HydrophobicContact CG2-CD2 3.63Å; I249-F253 HydrophobicContact CG2-CE2 3.67Å; I249-F253 VanDerWaalsContact O-CD2 3.27Å; I249-F253 WeakPolarHBondContact O-CD2 3.36Å; I249-F253 PolarHBondContact O-N 2.95Å; A250-F253 PolarHBondContact O-N 3.46Å; D251-F253 PolarHBondContact O-N 3.47Å; F253-C255 PolarHBondContact O-N 3.24Å; F253-L256 HydrophobicContact CD1-CD1 4.24Å; F253-L256 PolarHBondContact O-N 2.99Å; F253-L270 HydrophobicContact CD2-CD1 4.38Å; F253-L270 HydrophobicContact CE1-CD1 4.13Å; F253-L270 HydrophobicContact CE2-CD1 3.64Å; F253-L270 HydrophobicContact CZ-CD1 3.5Å; F253-L270 VanDerWaalsContact CZ-CD1 3.5Å; F253-F292 HydrophobicContact CB-CD2 3.52Å; F253-F292 HydrophobicContact CB-CE2 3.62Å; F253-F292 HydrophobicContact CB-CG 3.99Å; F253-F292 HydrophobicContact CB-CZ 4.19Å; F253-F292 HydrophobicContact CD1-CE2 4.34Å; F253-F292 HydrophobicContact CD1-CZ 4.46Å; F253-F292 HydrophobicContact CG-CE2 4.28Å; F253-F292 HydrophobicContact CG-CZ 4.46Å
254	A	67.7	Low	64.2	Low	24 Å²	24	43.5 Å²	43.5	20%	0.198	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-27.1	174.5	0	0	0	0	0	112.2	A250 D251 T252 F292 Q295	A250-A254 WeakPolarHBondContact O-CB 3.06Å; A250-A254 PolarHBondContact O-N 3.4Å; D251-A254 PolarHBondContact O-N 2.94Å; T252-A254 VanDerWaalsContact C-N 3.32Å; T252-A254 PolarHBondContact O-N 3.05Å; A254-F292 HydrophobicContact CB-CB 4.32Å; A254-Q295 PolarHBondContact O-NE2 3.19Å; A254-Q295 PolarHBondContact O-OE1 2.95Å; A254-Q295 VanDerWaalsContact O-OE1 3.06Å
255	C	70	Confident	64.5	Low	80 Å²	80	46.1 Å²	46.1	54%	0.541	26%	0.261	S	S	.	.	H	α-helix	trans	-81	-19.5	175.3	-65.9	0	0	0	0	114	A205 D251 T252 F253	A205-C255 HydrophobicContact CB-CB 3.98Å; D251-C255 PolarHBondContact O-N 3.23Å; D251-C255 PolarHBondContact O-SG 2.72Å; D251-C255 VanDerWaalsContact O-SG 3.34Å; T252-C255 WeakPolarHBondContact O-CB 3.4Å; T252-C255 PolarHBondContact O-N 3.48Å; T252-C255 VanDerWaalsContact O-N 3.13Å; F253-C255 PolarHBondContact O-N 3.24Å
256	L	69.7	Low	64.5	Low	5 Å²	5	49 Å²	49	3%	0.026	27%	0.273	C	S	.	.			trans	-86.3	131.2	-177	-63.2	173.3	0	0	0	112.2	V208 H213 T216 L220 T252 F253 L258	V208-L256 HydrophobicContact CG1-CD2 4.45Å; H213-L256 HydrophobicContact CB-CD2 4.42Å; T216-L256 HydrophobicContact CG2-CD1 4.13Å; T216-L256 HydrophobicContact CG2-CD2 4.19Å; L220-L256 HydrophobicContact CD1-CD1 3.7Å; T252-L256 WeakPolarHBondContact O-CG 3.47Å; T252-L256 PolarHBondContact O-N 3.01Å; F253-L256 HydrophobicContact CD1-CD1 4.24Å; F253-L256 PolarHBondContact O-N 2.99Å; L256-L258 HydrophobicContact CB-CD2 4.46Å
257	S	67.9	Low	64.6	Low	67 Å²	67	49.4 Å²	49.4	47%	0.469	28%	0.275	S	S	.	.			trans	-94.9	94.5	172.9	73.5	0	0	0	0	111.5	H213	H213-S257 VanDerWaalsContact CB-O 3.24Å; H213-S257 WeakPolarHBondContact CB-O 3.48Å; H213-S257 PolarHBondContact ND1-N 3.34Å; H213-S257 VanDerWaalsContact ND1-N 3.18Å; H213-S257 PolarHBondContact ND1-OG 3.32Å
258	L	67.8	Low	64.9	Low	17 Å²	17	49.9 Å²	49.9	9%	0.089	28%	0.279	C	S	.	.			trans	-83.4	136.3	-177.6	-56.8	167.7	0	0	0	111.5	H213 D214 L256 A263 N267 Q297	H213-L258 WeakPolarHBondContact O-CD2 3.34Å; D214-L258 VanDerWaalsContact OD1-CA 3.24Å; D214-L258 WeakPolarHBondContact OD1-CA 3.41Å; L256-L258 HydrophobicContact CB-CD2 4.46Å; L258-A263 HydrophobicContact CB-CB 3.94Å; L258-N267 WeakPolarHBondContact CD1-ND2 3.08Å; L258-Q297 PolarHBondContact O-NE2 3.27Å; L258-Q297 PolarHBondContact O-OE1 3.15Å
259	S	65	Low	64.9	Low	50 Å²	50	52.1 Å²	52.1	35%	0.35	29%	0.289	S	S	.	.			trans	-85.4	161.5	177.9	75.5	0	0	0	0	113.4	D214 D261 A263	D214-S259 PolarHBondContact OD1-N 3.1Å; D214-S259 PolarHBondContact OD1-OG 3.44Å; D214-S259 WeakPolarHBondContact OD2-CB 3.31Å; D214-S259 PolarHBondContact OD2-OG 2.98Å; S259-D261 PolarHBondContact O-N 2.91Å; S259-A263 VanDerWaalsContact O-CB 3.32Å; S259-A263 WeakPolarHBondContact O-CB 3.38Å
260	D	57.9	Low	65	Low	98 Å²	98	52.2 Å²	52.2	52%	0.524	29%	0.29	S	S	.	.	H	α-helix	trans	-72.1	-26.5	-167.6	-71.6	-33.2	0	0	0	114.5	V262 I264	D260-V262 PolarHBondContact O-N 3.48Å; D260-I264 HydrophobicContact CB-CD1 3.85Å; D260-I264 WeakPolarHBondContact O-CD1 3.32Å; D260-I264 WeakPolarHBondContact O-CG1 3.34Å
261	D	57.4	Low	65.3	Low	153 Å²	153	52.2 Å²	52.2	82%	0.818	29%	0.29	S	S	*	.	H	α-helix	trans	-77.4	-25.8	-157	-72.6	-29.6	0	0	0	115.8	S259	S259-D261 PolarHBondContact O-N 2.91Å
262	V	53.9	Low	65.5	Low	104 Å²	104	54.4 Å²	54.4	63%	0.63	30%	0.299	S	S	*	.	H	α-helix	trans	-144.6	-23	179.9	-178	0	0	0	0	112.1	D260 I264	D260-V262 PolarHBondContact O-N 3.48Å; V262-I264 VanDerWaalsContact C-N 3.31Å; V262-I264 PolarHBondContact O-N 3.09Å
263	A	55.6	Low	65.5	Low	7 Å²	7	59.5 Å²	59.5	6%	0.058	32%	0.32	C	S	.	.	H	α-helix	trans	-73.7	-22.4	-178.9	0	0	0	0	0	112.5	L258 S259 E265 K266 N267	L258-A263 HydrophobicContact CB-CB 3.94Å; S259-A263 VanDerWaalsContact O-CB 3.32Å; S259-A263 WeakPolarHBondContact O-CB 3.38Å; A263-E265 PolarHBondContact O-N 3.36Å; A263-K266 PolarHBondContact O-N 3.46Å; A263-N267 WeakPolarHBondContact O-CB 3.1Å; A263-N267 PolarHBondContact O-N 3.25Å
264	I	59.2	Low	65.6	Low	68 Å²	68	59.5 Å²	59.5	35%	0.349	32%	0.321	S	S	.	.	H	α-helix	trans	-56.6	-52.3	-178.3	-69.6	177.8	0	0	0	112	D260 V262 K266 N267 I268	D260-I264 HydrophobicContact CB-CD1 3.85Å; D260-I264 WeakPolarHBondContact O-CD1 3.32Å; D260-I264 WeakPolarHBondContact O-CG1 3.34Å; V262-I264 VanDerWaalsContact C-N 3.31Å; V262-I264 PolarHBondContact O-N 3.09Å; I264-K266 VanDerWaalsContact C-N 3.34Å; I264-K266 PolarHBondContact O-N 2.87Å; I264-N267 PolarHBondContact O-N 3.01Å; I264-I268 HydrophobicContact CG2-CD1 3.46Å; I264-I268 VanDerWaalsContact CG2-CD1 3.46Å; I264-I268 HydrophobicContact CG2-CG1 4.17Å; I264-I268 WeakPolarHBondContact O-CB 3.44Å; I264-I268 WeakPolarHBondContact O-CG1 3.49Å; I264-I268 PolarHBondContact O-N 3.23Å
265	E	63.9	Low	66.1	Low	139 Å²	139	58.4 Å²	58.4	65%	0.65	31%	0.311	S	S	*	.	H	α-helix	trans	-62.7	-43.2	-175.7	-173.2	174.7	-178.1	0	0	111.3	A263 Q269	A263-E265 PolarHBondContact O-N 3.36Å; E265-Q269 VanDerWaalsContact O-CG 3.32Å; E265-Q269 WeakPolarHBondContact O-CG 3.29Å; E265-Q269 PolarHBondContact O-N 3.25Å; E265-Q269 VanDerWaalsContact O-N 3.08Å
266	K	63.4	Low	66.3	Low	65 Å²	65	59 Å²	59	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-68.3	-39.4	177.6	-63.3	-179.4	-174.3	174.3	0	112.2	S218 W221 A263 I264 Q269 L270	S218-K266 PolarHBondContact OG-NZ 3.26Å; W221-K266 HydrophobicContact CD2-CB 4.21Å; W221-K266 HydrophobicContact CD2-CD 4.34Å; W221-K266 HydrophobicContact CD2-CG 4.35Å; W221-K266 HydrophobicContact CE3-CD 4.08Å; W221-K266 HydrophobicContact CE3-CG 4.38Å; W221-K266 HydrophobicContact CG-CB 4.33Å; W221-K266 HydrophobicContact CZ3-CD 4.36Å; W221-K266 HydrophobicContact CZ3-CG 4.46Å; W221-K266 PolarHBondContact NE1-O 3.16Å; A263-K266 PolarHBondContact O-N 3.46Å; I264-K266 VanDerWaalsContact C-N 3.34Å; I264-K266 PolarHBondContact O-N 2.87Å; K266-Q269 PolarHBondContact O-N 3.28Å; K266-L270 WeakPolarHBondContact O-CB 3.28Å; K266-L270 PolarHBondContact O-N 3.4Å
267	N	65.8	Low	66.4	Low	14 Å²	14	61 Å²	61	8%	0.075	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-45.1	177.7	-171.8	-65.9	0	0	0	110.7	L258 A263 I264 Q269 L270 K271	L258-N267 WeakPolarHBondContact CD1-ND2 3.08Å; A263-N267 WeakPolarHBondContact O-CB 3.1Å; A263-N267 PolarHBondContact O-N 3.25Å; I264-N267 PolarHBondContact O-N 3.01Å; N267-Q269 VanDerWaalsContact C-N 3.35Å; N267-Q269 PolarHBondContact O-N 3.24Å; N267-L270 PolarHBondContact O-N 2.93Å; N267-K271 WeakPolarHBondContact O-CB 3.46Å; N267-K271 WeakPolarHBondContact O-CG 3.38Å; N267-K271 PolarHBondContact O-N 2.94Å; N267-K271 VanDerWaalsContact OD1-CD 3.31Å; N267-K271 WeakPolarHBondContact OD1-CD 3.02Å; N267-K271 WeakPolarHBondContact OD1-CE 3.04Å
268	I	69.1	Low	66.9	Low	69 Å²	69	57.8 Å²	57.8	35%	0.354	30%	0.301	S	S	.	.	H	α-helix	trans	-57.7	-47.9	174.5	-70	169	0	0	0	110.4	I264 L270 K271 E272	I264-I268 HydrophobicContact CG2-CD1 3.46Å; I264-I268 VanDerWaalsContact CG2-CD1 3.46Å; I264-I268 HydrophobicContact CG2-CG1 4.17Å; I264-I268 WeakPolarHBondContact O-CB 3.44Å; I264-I268 WeakPolarHBondContact O-CG1 3.49Å; I264-I268 PolarHBondContact O-N 3.23Å; I268-L270 VanDerWaalsContact C-N 3.32Å; I268-L270 PolarHBondContact O-N 2.79Å; I268-K271 PolarHBondContact O-N 3.32Å; I268-E272 WeakPolarHBondContact O-CB 3.47Å; I268-E272 PolarHBondContact O-N 3.49Å
269	Q	67.3	Low	67.2	Low	74 Å²	74	60.6 Å²	60.6	35%	0.346	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-37	178.4	-72.3	177.6	17.1	0	0	112.6	E265 K266 N267 K273	E265-Q269 VanDerWaalsContact O-CG 3.32Å; E265-Q269 WeakPolarHBondContact O-CG 3.29Å; E265-Q269 PolarHBondContact O-N 3.25Å; E265-Q269 VanDerWaalsContact O-N 3.08Å; K266-Q269 PolarHBondContact O-N 3.28Å; N267-Q269 VanDerWaalsContact C-N 3.35Å; N267-Q269 PolarHBondContact O-N 3.24Å; Q269-K273 PolarHBondContact O-N 3.08Å
270	L	68	Low	67.5	Low	7 Å²	7	63 Å²	63	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-69.9	-43.8	176.3	-172.3	146.1	0	0	0	111.7	W221 F253 K266 N267 I268 E272 K273 L274 F292	W221-L270 HydrophobicContact CG-CD1 4.47Å; F253-L270 HydrophobicContact CD2-CD1 4.38Å; F253-L270 HydrophobicContact CE1-CD1 4.13Å; F253-L270 HydrophobicContact CE2-CD1 3.64Å; F253-L270 HydrophobicContact CZ-CD1 3.5Å; F253-L270 VanDerWaalsContact CZ-CD1 3.5Å; K266-L270 WeakPolarHBondContact O-CB 3.28Å; K266-L270 PolarHBondContact O-N 3.4Å; N267-L270 PolarHBondContact O-N 2.93Å; I268-L270 VanDerWaalsContact C-N 3.32Å; I268-L270 PolarHBondContact O-N 2.79Å; L270-E272 VanDerWaalsContact C-N 3.28Å; L270-E272 PolarHBondContact O-N 3.04Å; L270-K273 PolarHBondContact O-N 3.13Å; L270-L274 HydrophobicContact CD2-CD1 3.42Å; L270-L274 VanDerWaalsContact CD2-CD1 3.42Å; L270-L274 HydrophobicContact CD2-CG 4.06Å; L270-L274 HydrophobicContact CG-CD1 4.46Å; L270-L274 WeakPolarHBondContact O-CB 3.01Å; L270-L274 PolarHBondContact O-N 3.47Å; L270-F292 HydrophobicContact CD2-CD1 4.09Å; L270-F292 HydrophobicContact CD2-CE1 3.27Å; L270-F292 HydrophobicContact CD2-CZ 3.86Å
271	K	74.5	Confident	68.2	Low	2 Å²	2	58.9 Å²	58.9	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-40.4	173.9	-72.9	-174.5	170.9	-179.2	0	111.2	N267 I268 S275 F292 L293 Q295 D301 V305	N267-K271 WeakPolarHBondContact O-CB 3.46Å; N267-K271 WeakPolarHBondContact O-CG 3.38Å; N267-K271 PolarHBondContact O-N 2.94Å; N267-K271 VanDerWaalsContact OD1-CD 3.31Å; N267-K271 WeakPolarHBondContact OD1-CD 3.02Å; N267-K271 WeakPolarHBondContact OD1-CE 3.04Å; I268-K271 PolarHBondContact O-N 3.32Å; K271-S275 WeakPolarHBondContact O-CB 3.16Å; K271-S275 PolarHBondContact O-N 3.25Å; K271-F292 HydrophobicContact CG-CE1 3.79Å; K271-F292 HydrophobicContact CG-CZ 4.29Å; K271-L293 HydrophobicContact CB-CD2 3.74Å; K271-L293 HydrophobicContact CG-CD2 3.93Å; K271-L293 WeakPolarHBondContact O-CD2 3.41Å; K271-Q295 PolarHBondContact NZ-O 3.3Å; K271-D301 IonicContact NZ-OD1 3.2Å; K271-D301 PolarHBondContact NZ-OD1 3.32Å; K271-D301 IonicContact NZ-OD2 3.08Å; K271-D301 PolarHBondContact NZ-OD2 2.89Å; K271-V305 HydrophobicContact CD-CG2 4.12Å
272	E	72	Confident	69	Low	90 Å²	90	55.4 Å²	55.4	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-47.9	175.8	-174.3	177.7	-177.6	0	0	111.8	I268 L270 S275 N276	I268-E272 WeakPolarHBondContact O-CB 3.47Å; I268-E272 PolarHBondContact O-N 3.49Å; L270-E272 VanDerWaalsContact C-N 3.28Å; L270-E272 PolarHBondContact O-N 3.04Å; E272-S275 PolarHBondContact O-N 3.38Å; E272-N276 WeakPolarHBondContact O-CB 3.2Å; E272-N276 PolarHBondContact O-N 2.85Å; E272-N276 PolarHBondContact O-ND2 2.87Å
273	K	69.2	Low	69.8	Low	111 Å²	111	52.5 Å²	52.5	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-47.5	175.5	-78.1	-166.5	177.8	-164.4	0	112.3	V225 Q269 L270 S275 N276 S277	V225-K273 HydrophobicContact CG1-CD 3.95Å; Q269-K273 PolarHBondContact O-N 3.08Å; L270-K273 PolarHBondContact O-N 3.13Å; K273-S275 VanDerWaalsContact C-N 3.3Å; K273-S275 PolarHBondContact O-N 3.43Å; K273-N276 PolarHBondContact O-N 3.23Å; K273-S277 PolarHBondContact O-N 2.68Å; K273-S277 PolarHBondContact O-OG 3.29Å
274	L	73	Confident	70.5	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-43.8	175.8	-83.1	177	0	0	0	111.2	M239 T246 L270 N276 S277 I278 M281 F292 L293	M239-L274 HydrophobicContact CE-CD2 3.4Å; M239-L274 HydrophobicContact CE-CG 4.38Å; T246-L274 HydrophobicContact CG2-CD2 3.9Å; L270-L274 HydrophobicContact CD2-CD1 3.42Å; L270-L274 VanDerWaalsContact CD2-CD1 3.42Å; L270-L274 HydrophobicContact CD2-CG 4.06Å; L270-L274 HydrophobicContact CG-CD1 4.46Å; L270-L274 WeakPolarHBondContact O-CB 3.01Å; L270-L274 PolarHBondContact O-N 3.47Å; L274-N276 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 2.66Å; L274-S277 PolarHBondContact O-N 3.41Å; L274-S277 VanDerWaalsContact O-N 3.16Å; L274-I278 PolarHBondContact O-N 2.87Å; L274-M281 HydrophobicContact CD2-CE 3.99Å; L274-F292 HydrophobicContact CD1-CD1 3.64Å; L274-F292 HydrophobicContact CD1-CE1 3.98Å; L274-L293 HydrophobicContact CB-CD2 4.16Å
275	S	77.5	Confident	71.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-41.4	178.2	-165.6	0	0	0	0	111.7	K271 E272 K273 S277 I278 Q308 N312	K271-S275 WeakPolarHBondContact O-CB 3.16Å; K271-S275 PolarHBondContact O-N 3.25Å; E272-S275 PolarHBondContact O-N 3.38Å; K273-S275 VanDerWaalsContact C-N 3.3Å; K273-S275 PolarHBondContact O-N 3.43Å; S275-S277 PolarHBondContact O-N 2.98Å; S275-I278 VanDerWaalsContact O-CB 3.26Å; S275-I278 WeakPolarHBondContact O-CB 3.43Å; S275-I278 WeakPolarHBondContact O-CG1 3.13Å; S275-I278 PolarHBondContact O-N 3.34Å; S275-Q308 WeakPolarHBondContact OG-CB 3.49Å; S275-N312 VanDerWaalsContact C-ND2 3.26Å; S275-N312 WeakPolarHBondContact O-CB 3.27Å; S275-N312 PolarHBondContact O-ND2 2.87Å; S275-N312 PolarHBondContact OG-ND2 3.42Å
276	N	73.1	Confident	71.7	Confident	94 Å²	94	47.2 Å²	47.2	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-24.9	177	-67.4	-22.8	0	0	0	112.9	E272 K273 L274 P279	E272-N276 WeakPolarHBondContact O-CB 3.2Å; E272-N276 PolarHBondContact O-N 2.85Å; E272-N276 PolarHBondContact O-ND2 2.87Å; K273-N276 PolarHBondContact O-N 3.23Å; L274-N276 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 2.66Å; N276-P279 WeakPolarHBondContact O-CD 3.25Å
277	S	72.6	Confident	72.4	Confident	45 Å²	45	45.2 Å²	45.2	32%	0.315	25%	0.252	S	S	.	.	H	α-helix	trans	-84.8	-9.3	175	-61.2	0	0	0	0	114.2	K273 L274 S275 P279 S280 M281	K273-S277 PolarHBondContact O-N 2.68Å; K273-S277 PolarHBondContact O-OG 3.29Å; L274-S277 PolarHBondContact O-N 3.41Å; L274-S277 VanDerWaalsContact O-N 3.16Å; S275-S277 PolarHBondContact O-N 2.98Å; S277-P279 VanDerWaalsContact C-N 3.35Å; S277-S280 PolarHBondContact O-N 2.95Å; S277-S280 VanDerWaalsContact O-N 3.14Å; S277-S280 PolarHBondContact O-OG 2.87Å; S277-M281 WeakPolarHBondContact O-CG 3.24Å
278	I	77.9	Confident	72.7	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-50.7	-42.9	178.4	-73	172.3	0	0	0	113.8	L274 S275 S280 M281 L286 L293 L309 N312 V313	L274-I278 PolarHBondContact O-N 2.87Å; S275-I278 VanDerWaalsContact O-CB 3.26Å; S275-I278 WeakPolarHBondContact O-CB 3.43Å; S275-I278 WeakPolarHBondContact O-CG1 3.13Å; S275-I278 PolarHBondContact O-N 3.34Å; I278-S280 PolarHBondContact O-N 2.98Å; I278-S280 VanDerWaalsContact O-N 3.14Å; I278-M281 HydrophobicContact CG1-SD 4.48Å; I278-M281 PolarHBondContact O-N 3.04Å; I278-M281 VanDerWaalsContact O-N 3.13Å; I278-L286 HydrophobicContact CB-CD1 4.5Å; I278-L286 HydrophobicContact CG1-CD1 4.16Å; I278-L286 HydrophobicContact CG2-CD1 3.85Å; I278-L293 HydrophobicContact CD1-CD1 3.89Å; I278-L309 HydrophobicContact CD1-CD2 3.47Å; I278-L309 VanDerWaalsContact CD1-CD2 3.47Å; I278-N312 HydrophobicContact CB-CB 4.3Å; I278-N312 HydrophobicContact CD1-CB 4.44Å; I278-N312 HydrophobicContact CG2-CB 4.46Å; I278-V313 HydrophobicContact CD1-CG2 4.23Å; I278-V313 HydrophobicContact CG2-CG2 3.9Å
279	P	74.2	Confident	73	Confident	75 Å²	75	41.5 Å²	41.5	49%	0.487	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.2	-26.8	-178	-26.2	36.6	0	0	0	114	N276 S277 K317	N276-P279 WeakPolarHBondContact O-CD 3.25Å; S277-P279 VanDerWaalsContact C-N 3.35Å; P279-K317 PolarHBondContact O-NZ 3.37Å
280	S	71.5	Confident	73.7	Confident	102 Å²	102	38 Å²	38	71%	0.713	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-93.7	-8	178.6	55.8	0	0	0	0	114.6	S277 I278	S277-S280 PolarHBondContact O-N 2.95Å; S277-S280 VanDerWaalsContact O-N 3.14Å; S277-S280 PolarHBondContact O-OG 2.87Å; I278-S280 PolarHBondContact O-N 2.98Å; I278-S280 VanDerWaalsContact O-N 3.14Å
281	M	73	Confident	74.1	Confident	11 Å²	11	38.8 Å²	38.8	5%	0.054	22%	0.223	C	C	.	.			trans	-75.9	148.5	-177.2	-70.2	178	175	0	0	113.6	T246 L274 S277 I278 Q285 L286 A289 K317	T246-M281 HydrophobicContact CG2-CE 3.53Å; L274-M281 HydrophobicContact CD2-CE 3.99Å; S277-M281 WeakPolarHBondContact O-CG 3.24Å; I278-M281 HydrophobicContact CG1-SD 4.48Å; I278-M281 PolarHBondContact O-N 3.04Å; I278-M281 VanDerWaalsContact O-N 3.13Å; M281-Q285 HydrophobicContact CB-CB 4.03Å; M281-Q285 HydrophobicContact CG-CB 4.21Å; M281-L286 HydrophobicContact CB-CB 4.49Å; M281-A289 HydrophobicContact CE-CB 4.14Å; M281-A289 HydrophobicContact SD-CB 3.79Å; M281-K317 PolarHBondContact O-NZ 3.45Å
282	D	74.7	Confident	74.2	Confident	79 Å²	79	38.9 Å²	38.9	42%	0.422	22%	0.224	S	C	.	.			trans	-78.4	175.6	165.3	74.2	38.4	0	0	0	112.3	N284 Q285 L286	D282-N284 PolarHBondContact O-N 2.61Å; D282-N284 PolarHBondContact OD1-N 3.42Å; D282-Q285 VanDerWaalsContact CG-CD 3.42Å; D282-Q285 WeakPolarHBondContact OD1-CB 3.32Å; D282-Q285 VanDerWaalsContact OD1-CG 3.28Å; D282-Q285 WeakPolarHBondContact OD1-CG 3.41Å; D282-Q285 PolarHBondContact OD1-N 3.48Å; D282-Q285 VanDerWaalsContact OD2-CD 3.25Å; D282-Q285 PolarHBondContact OD2-NE2 2.84Å; D282-L286 WeakPolarHBondContact O-CB 3.24Å; D282-L286 PolarHBondContact O-N 3.06Å
283	A	69.8	Low	74.5	Confident	43 Å²	43	34.7 Å²	34.7	36%	0.355	20%	0.204	S	C	.	.	H	α-helix	trans	-68.1	-30.4	-174.5	0	0	0	0	0	114.3	T287	A283-T287 WeakPolarHBondContact O-CB 3.49Å; A283-T287 PolarHBondContact O-N 3.21Å; A283-T287 VanDerWaalsContact O-N 3.12Å; A283-T287 PolarHBondContact O-OG1 3.34Å
284	N	71.5	Confident	75	Confident	84 Å²	84	29.4 Å²	29.4	45%	0.449	18%	0.181	S	C	.	.	H	α-helix	trans	-80	-45	179.1	-69.7	-19.9	0	0	0	110.1	D282 L286 T287 S288	D282-N284 PolarHBondContact O-N 2.61Å; D282-N284 PolarHBondContact OD1-N 3.42Å; N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 3.47Å; N284-T287 WeakPolarHBondContact O-CA 3.18Å; N284-T287 VanDerWaalsContact O-CB 3.31Å; N284-T287 WeakPolarHBondContact O-CB 3.43Å; N284-T287 PolarHBondContact O-N 3.36Å; N284-S288 PolarHBondContact O-N 3.13Å
285	Q	70.6	Confident	75.3	Confident	18 Å²	18	31.9 Å²	31.9	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-56.3	-43.2	171.8	-68.8	168.3	-0.5	0	0	111.4	P243 M281 D282 T287 S288 A289	P243-Q285 PolarHBondContact O-NE2 2.95Å; M281-Q285 HydrophobicContact CB-CB 4.03Å; M281-Q285 HydrophobicContact CG-CB 4.21Å; D282-Q285 VanDerWaalsContact CG-CD 3.42Å; D282-Q285 WeakPolarHBondContact OD1-CB 3.32Å; D282-Q285 VanDerWaalsContact OD1-CG 3.28Å; D282-Q285 WeakPolarHBondContact OD1-CG 3.41Å; D282-Q285 PolarHBondContact OD1-N 3.48Å; D282-Q285 VanDerWaalsContact OD2-CD 3.25Å; D282-Q285 PolarHBondContact OD2-NE2 2.84Å; Q285-T287 VanDerWaalsContact C-N 3.33Å; Q285-T287 PolarHBondContact O-N 3.04Å; Q285-S288 PolarHBondContact O-N 3.19Å; Q285-A289 WeakPolarHBondContact O-CB 3.25Å; Q285-A289 PolarHBondContact O-N 3.44Å
286	L	77.2	Confident	75.3	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-38.2	176.4	-176.3	59.6	0	0	0	111.7	I278 M281 D282 N284 L290 V323	I278-L286 HydrophobicContact CB-CD1 4.5Å; I278-L286 HydrophobicContact CG1-CD1 4.16Å; I278-L286 HydrophobicContact CG2-CD1 3.85Å; M281-L286 HydrophobicContact CB-CB 4.49Å; D282-L286 WeakPolarHBondContact O-CB 3.24Å; D282-L286 PolarHBondContact O-N 3.06Å; N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 3.47Å; L286-L290 HydrophobicContact CD1-CD1 3.88Å; L286-L290 HydrophobicContact CD1-CD2 4.48Å; L286-L290 HydrophobicContact CD1-CG 3.9Å; L286-L290 HydrophobicContact CD2-CD1 4.5Å; L286-L290 HydrophobicContact CG-CD1 3.75Å; L286-L290 HydrophobicContact CG-CG 4.24Å; L286-L290 VanDerWaalsContact O-CB 3.23Å; L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 WeakPolarHBondContact O-CD1 3.23Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.26Å; L286-V323 HydrophobicContact CD2-CG2 3.98Å; L286-V323 HydrophobicContact CG-CG2 4.17Å
287	T	78.3	Confident	75.4	Confident	22 Å²	22	30.7 Å²	30.7	14%	0.135	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-51.8	176.8	-66.7	0	0	0	0	110.9	A283 N284 Q285 L290 S291 I326	A283-T287 WeakPolarHBondContact O-CB 3.49Å; A283-T287 PolarHBondContact O-N 3.21Å; A283-T287 VanDerWaalsContact O-N 3.12Å; A283-T287 PolarHBondContact O-OG1 3.34Å; N284-T287 WeakPolarHBondContact O-CA 3.18Å; N284-T287 VanDerWaalsContact O-CB 3.31Å; N284-T287 WeakPolarHBondContact O-CB 3.43Å; N284-T287 PolarHBondContact O-N 3.36Å; Q285-T287 VanDerWaalsContact C-N 3.33Å; Q285-T287 PolarHBondContact O-N 3.04Å; T287-L290 PolarHBondContact O-N 3.36Å; T287-S291 PolarHBondContact O-N 2.98Å; T287-I326 HydrophobicContact CG2-CD1 3.35Å; T287-I326 HydrophobicContact CG2-CG1 4.36Å
288	S	71.4	Confident	75.7	Confident	5 Å²	5	30.6 Å²	30.6	4%	0.035	19%	0.185	C	C	.	.	H	α-helix	trans	-68.7	-40.2	178.3	-60.2	0	0	0	0	112.1	E247 A250 D251 N284 Q285 L290 S291 F292	E247-S288 VanDerWaalsContact CG-OG 3.3Å; E247-S288 WeakPolarHBondContact CG-OG 3.46Å; E247-S288 WeakPolarHBondContact O-CB 3.41Å; A250-S288 WeakPolarHBondContact CB-O 3.31Å; D251-S288 VanDerWaalsContact CG-OG 3.31Å; D251-S288 WeakPolarHBondContact OD1-CB 3.22Å; D251-S288 PolarHBondContact OD1-OG 2.89Å; D251-S288 VanDerWaalsContact OD1-OG 3.09Å; D251-S288 PolarHBondContact OD2-OG 3.33Å; N284-S288 PolarHBondContact O-N 3.13Å; Q285-S288 PolarHBondContact O-N 3.19Å; S288-L290 VanDerWaalsContact C-N 3.32Å; S288-L290 PolarHBondContact O-N 3.19Å; S288-S291 WeakPolarHBondContact O-CB 3.43Å; S288-S291 PolarHBondContact O-N 3.46Å; S288-S291 PolarHBondContact O-OG 3.21Å; S288-F292 PolarHBondContact O-N 2.91Å
289	A	75.8	Confident	75.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-42	175.2	0	0	0	0	0	112	M281 Q285 F292 L293	M281-A289 HydrophobicContact CE-CB 4.14Å; M281-A289 HydrophobicContact SD-CB 3.79Å; Q285-A289 WeakPolarHBondContact O-CB 3.25Å; Q285-A289 PolarHBondContact O-N 3.44Å; A289-F292 PolarHBondContact O-N 3Å; A289-L293 WeakPolarHBondContact O-CB 3.22Å; A289-L293 WeakPolarHBondContact O-CG 3.42Å; A289-L293 PolarHBondContact O-N 3.33Å
290	L	81.3	Confident	76.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.3	-33.6	177.3	-72	170.8	0	0	0	112.7	L286 T287 S288 F292 L293 L294 L309 V323 I326 F327	L286-L290 HydrophobicContact CD1-CD1 3.88Å; L286-L290 HydrophobicContact CD1-CD2 4.48Å; L286-L290 HydrophobicContact CD1-CG 3.9Å; L286-L290 HydrophobicContact CD2-CD1 4.5Å; L286-L290 HydrophobicContact CG-CD1 3.75Å; L286-L290 HydrophobicContact CG-CG 4.24Å; L286-L290 VanDerWaalsContact O-CB 3.23Å; L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 WeakPolarHBondContact O-CD1 3.23Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.26Å; T287-L290 PolarHBondContact O-N 3.36Å; S288-L290 VanDerWaalsContact C-N 3.32Å; S288-L290 PolarHBondContact O-N 3.19Å; L290-F292 PolarHBondContact O-N 2.85Å; L290-L293 HydrophobicContact CD2-CD1 4.43Å; L290-L293 PolarHBondContact O-N 3.49Å; L290-L294 HydrophobicContact CB-CD1 4.21Å; L290-L294 VanDerWaalsContact O-CB 3.25Å; L290-L294 WeakPolarHBondContact O-CB 3.15Å; L290-L294 WeakPolarHBondContact O-CD1 3.38Å; L290-L294 WeakPolarHBondContact O-CG 3.39Å; L290-L294 PolarHBondContact O-N 2.94Å; L290-L309 HydrophobicContact CD2-CD1 4.15Å; L290-L309 HydrophobicContact CD2-CD2 3.53Å; L290-V323 HydrophobicContact CD1-CG1 3.59Å; L290-V323 HydrophobicContact CD1-CG2 4.41Å; L290-I326 HydrophobicContact CB-CG2 4.32Å; L290-F327 HydrophobicContact CD1-CD2 4.4Å; L290-F327 HydrophobicContact CD1-CE2 3.59Å; L290-F327 HydrophobicContact CD1-CZ 4.33Å; L290-F327 HydrophobicContact CD2-CE2 3.96Å; L290-F327 HydrophobicContact CD2-CZ 3.86Å; L290-F327 HydrophobicContact CG-CE2 4.36Å
291	S	77.2	Confident	76.7	Confident	25 Å²	25	28.4 Å²	28.4	18%	0.175	17%	0.167	C	C	.	.	H	α-helix	trans	-57.2	-39.3	175.8	87.4	0	0	0	0	110.7	T287 S288 R334	T287-S291 PolarHBondContact O-N 2.98Å; S288-S291 WeakPolarHBondContact O-CB 3.43Å; S288-S291 PolarHBondContact O-N 3.46Å; S288-S291 PolarHBondContact O-OG 3.21Å; S291-R334 PolarHBondContact O-NH2 3Å
292	F	76.6	Confident	77.2	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.018	16%	0.164	C	C	.	.	H	α-helix	trans	-79.2	-49.9	173.7	174.9	-108	0	0	0	113.7	A250 F253 A254 L270 K271 L274 S288 A289 L290 L294 Q295	A250-F292 HydrophobicContact CB-CB 4.48Å; F253-F292 HydrophobicContact CB-CD2 3.52Å; F253-F292 HydrophobicContact CB-CE2 3.62Å; F253-F292 HydrophobicContact CB-CG 3.99Å; F253-F292 HydrophobicContact CB-CZ 4.19Å; F253-F292 HydrophobicContact CD1-CE2 4.34Å; F253-F292 HydrophobicContact CD1-CZ 4.46Å; F253-F292 HydrophobicContact CG-CE2 4.28Å; F253-F292 HydrophobicContact CG-CZ 4.46Å; A254-F292 HydrophobicContact CB-CB 4.32Å; L270-F292 HydrophobicContact CD2-CD1 4.09Å; L270-F292 HydrophobicContact CD2-CE1 3.27Å; L270-F292 HydrophobicContact CD2-CZ 3.86Å; K271-F292 HydrophobicContact CG-CE1 3.79Å; K271-F292 HydrophobicContact CG-CZ 4.29Å; L274-F292 HydrophobicContact CD1-CD1 3.64Å; L274-F292 HydrophobicContact CD1-CE1 3.98Å; S288-F292 PolarHBondContact O-N 2.91Å; A289-F292 PolarHBondContact O-N 3Å; L290-F292 PolarHBondContact O-N 2.85Å; F292-L294 PolarHBondContact O-N 3.28Å; F292-Q295 WeakPolarHBondContact O-CA 3.34Å; F292-Q295 WeakPolarHBondContact O-CB 3.37Å; F292-Q295 PolarHBondContact O-N 2.99Å
293	L	77	Confident	77.7	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-56.7	-39.7	-176.9	-74.9	170.3	0	0	0	112.1	K271 L274 I278 A289 L290 Q295 V305 L309	K271-L293 HydrophobicContact CB-CD2 3.74Å; K271-L293 HydrophobicContact CG-CD2 3.93Å; K271-L293 WeakPolarHBondContact O-CD2 3.41Å; L274-L293 HydrophobicContact CB-CD2 4.16Å; I278-L293 HydrophobicContact CD1-CD1 3.89Å; A289-L293 WeakPolarHBondContact O-CB 3.22Å; A289-L293 WeakPolarHBondContact O-CG 3.42Å; A289-L293 PolarHBondContact O-N 3.33Å; L290-L293 HydrophobicContact CD2-CD1 4.43Å; L290-L293 PolarHBondContact O-N 3.49Å; L293-Q295 PolarHBondContact O-N 3.22Å; L293-V305 HydrophobicContact CB-CG1 4.43Å; L293-L309 HydrophobicContact CD1-CD2 4.13Å
294	L	80.6	Confident	78.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.5	-179.9	-62	169.5	0	0	0	112.8	L290 F292 C296 V305 L309 I326 F327 A330 R334 F337	L290-L294 HydrophobicContact CB-CD1 4.21Å; L290-L294 VanDerWaalsContact O-CB 3.25Å; L290-L294 WeakPolarHBondContact O-CB 3.15Å; L290-L294 WeakPolarHBondContact O-CD1 3.38Å; L290-L294 WeakPolarHBondContact O-CG 3.39Å; L290-L294 PolarHBondContact O-N 2.94Å; F292-L294 PolarHBondContact O-N 3.28Å; L294-C296 VanDerWaalsContact C-N 3.27Å; L294-C296 PolarHBondContact O-N 3.06Å; L294-V305 HydrophobicContact CD2-CG1 4.48Å; L294-L309 HydrophobicContact CD2-CD1 3.76Å; L294-I326 HydrophobicContact CD1-CG2 3.8Å; L294-F327 HydrophobicContact CD1-CD1 4.28Å; L294-F327 HydrophobicContact CD1-CE1 4.33Å; L294-F327 HydrophobicContact CD1-CG 4.42Å; L294-F327 HydrophobicContact CD1-CZ 4.5Å; L294-F327 HydrophobicContact CD2-CD1 4.33Å; L294-F327 HydrophobicContact CD2-CE1 3.96Å; L294-A330 HydrophobicContact CB-CB 4.03Å; L294-A330 HydrophobicContact CD1-CB 3.8Å; L294-A330 HydrophobicContact CG-CB 4.34Å; L294-R334 WeakPolarHBondContact O-CD 3.29Å; L294-F337 HydrophobicContact CD2-CD2 4.06Å; L294-F337 HydrophobicContact CD2-CE1 4.24Å; L294-F337 HydrophobicContact CD2-CE2 3.3Å; L294-F337 HydrophobicContact CD2-CZ 3.41Å; L294-F337 VanDerWaalsContact CD2-CZ 3.41Å
295	Q	78.4	Confident	78.9	Confident	57 Å²	57	23.7 Å²	23.7	27%	0.266	14%	0.136	S	C	.	.			trans	-77.7	76.7	171.9	-164.8	164.8	-10.4	0	0	111	A254 K271 F292 L293	A254-Q295 PolarHBondContact O-NE2 3.19Å; A254-Q295 PolarHBondContact O-OE1 2.95Å; A254-Q295 VanDerWaalsContact O-OE1 3.06Å; K271-Q295 PolarHBondContact NZ-O 3.3Å; F292-Q295 WeakPolarHBondContact O-CA 3.34Å; F292-Q295 WeakPolarHBondContact O-CB 3.37Å; F292-Q295 PolarHBondContact O-N 2.99Å; L293-Q295 PolarHBondContact O-N 3.22Å
296	C	78.2	Confident	79.7	Confident	18 Å²	18	22.9 Å²	22.9	12%	0.122	13%	0.132	C	C	.	.			trans	-88.3	131.1	-178.7	-54	0	0	0	0	110.6	L294 D301 A302 Y336	L294-C296 VanDerWaalsContact C-N 3.27Å; L294-C296 PolarHBondContact O-N 3.06Å; C296-D301 VanDerWaalsContact CA-OD2 3.24Å; C296-D301 WeakPolarHBondContact CA-OD2 3.22Å; C296-A302 HydrophobicContact CB-CB 3.62Å; C296-A302 WeakPolarHBondContact SG-CA 3.25Å; C296-Y336 WeakPolarHBondContact O-CD2 3.37Å
297	Q	76	Confident	79.9	Confident	53 Å²	53	25.5 Å²	25.5	25%	0.248	15%	0.146	C	C	.	.	S	Bend	trans	-91.7	-22.4	-178.7	-64.5	-176.5	-9.7	0	0	112.7	L258 D301 Y336	L258-Q297 PolarHBondContact O-NE2 3.27Å; L258-Q297 PolarHBondContact O-OE1 3.15Å; Q297-D301 PolarHBondContact N-OD2 3.45Å; Q297-Y336 WeakPolarHBondContact O-CE2 3.42Å
298	S	78.9	Confident	80.1	Confident	42 Å²	42	26.2 Å²	26.2	29%	0.294	15%	0.148	S	C	.	.	S	Bend	trans	-134.5	162.9	178	67.6	0	0	0	0	111.5	S300 D301 A302	S298-S300 VanDerWaalsContact C-N 3.3Å; S298-S300 PolarHBondContact O-N 3.26Å; S298-S300 PolarHBondContact OG-OG 3.11Å; S298-D301 PolarHBondContact O-N 3.06Å; S298-D301 VanDerWaalsContact OG-CB 3.23Å; S298-D301 WeakPolarHBondContact OG-CB 3.18Å; S298-D301 PolarHBondContact OG-N 3.28Å; S298-D301 VanDerWaalsContact OG-N 3.14Å; S298-A302 PolarHBondContact O-N 3.08Å
299	L	82	Confident	80.7	Confident	37 Å²	37	26 Å²	26	19%	0.194	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-34.8	174.2	179.8	67.1	0	0	0	112.1	K303 E339 A340 K343	L299-K303 VanDerWaalsContact O-CG 3.31Å; L299-K303 WeakPolarHBondContact O-CG 3.5Å; L299-K303 PolarHBondContact O-N 2.9Å; L299-K303 VanDerWaalsContact O-N 3.15Å; L299-E339 HydrophobicContact CD1-CB 4.12Å; L299-E339 HydrophobicContact CD1-CG 3.87Å; L299-A340 HydrophobicContact CD1-CB 3.98Å; L299-K343 HydrophobicContact CD1-CD 4.3Å; L299-K343 HydrophobicContact CD2-CD 3.78Å; L299-K343 VanDerWaalsContact CD2-NZ 3.28Å
300	S	80.8	Confident	81	Confident	78 Å²	78	27.5 Å²	27.5	55%	0.545	15%	0.152	S	C	.	.	H	α-helix	trans	-65.9	-44.7	176	38.4	0	0	0	0	111.4	S298 K303 T304	S298-S300 VanDerWaalsContact C-N 3.3Å; S298-S300 PolarHBondContact O-N 3.26Å; S298-S300 PolarHBondContact OG-OG 3.11Å; S300-K303 PolarHBondContact O-N 2.93Å; S300-T304 PolarHBondContact O-N 3.06Å; S300-T304 VanDerWaalsContact O-N 3.08Å; S300-T304 PolarHBondContact O-OG1 2.91Å; S300-T304 VanDerWaalsContact O-OG1 3.06Å
301	D	80.3	Confident	80.9	Confident	18 Å²	18	30.6 Å²	30.6	10%	0.096	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-48.1	175.5	178.9	30.9	0	0	0	110.9	K271 C296 Q297 S298 K303 T304 V305	K271-D301 IonicContact NZ-OD1 3.2Å; K271-D301 PolarHBondContact NZ-OD1 3.32Å; K271-D301 IonicContact NZ-OD2 3.08Å; K271-D301 PolarHBondContact NZ-OD2 2.89Å; C296-D301 VanDerWaalsContact CA-OD2 3.24Å; C296-D301 WeakPolarHBondContact CA-OD2 3.22Å; Q297-D301 PolarHBondContact N-OD2 3.45Å; S298-D301 PolarHBondContact O-N 3.06Å; S298-D301 VanDerWaalsContact OG-CB 3.23Å; S298-D301 WeakPolarHBondContact OG-CB 3.18Å; S298-D301 PolarHBondContact OG-N 3.28Å; S298-D301 VanDerWaalsContact OG-N 3.14Å; D301-K303 VanDerWaalsContact C-N 3.31Å; D301-K303 PolarHBondContact O-N 3.33Å; D301-T304 PolarHBondContact O-N 2.91Å; D301-T304 VanDerWaalsContact O-N 3.11Å; D301-V305 WeakPolarHBondContact O-CG2 3.32Å; D301-V305 PolarHBondContact O-N 3.21Å
302	A	84.3	Confident	81	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-39.5	177.2	0	0	0	0	0	113.7	C296 S298 I306 A340	C296-A302 HydrophobicContact CB-CB 3.62Å; C296-A302 WeakPolarHBondContact SG-CA 3.25Å; S298-A302 PolarHBondContact O-N 3.08Å; A302-I306 WeakPolarHBondContact O-CD1 3.46Å; A302-I306 VanDerWaalsContact O-CG1 3.25Å; A302-I306 WeakPolarHBondContact O-CG1 3.46Å; A302-I306 PolarHBondContact O-N 3.23Å; A302-A340 HydrophobicContact CB-CB 3.48Å; A302-A340 VanDerWaalsContact CB-CB 3.48Å
303	K	86	Confident	81.1	Confident	53 Å²	53	31.5 Å²	31.5	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-43.9	175.9	-71.4	173.7	178.9	176.3	0	112	L299 S300 D301 V305 I306 L307 A340 V344	L299-K303 VanDerWaalsContact O-CG 3.31Å; L299-K303 WeakPolarHBondContact O-CG 3.5Å; L299-K303 PolarHBondContact O-N 2.9Å; L299-K303 VanDerWaalsContact O-N 3.15Å; S300-K303 PolarHBondContact O-N 2.93Å; D301-K303 VanDerWaalsContact C-N 3.31Å; D301-K303 PolarHBondContact O-N 3.33Å; K303-V305 VanDerWaalsContact C-N 3.35Å; K303-I306 PolarHBondContact O-N 3.45Å; K303-L307 WeakPolarHBondContact O-CG 3.35Å; K303-L307 PolarHBondContact O-N 2.72Å; K303-L307 VanDerWaalsContact O-N 3.13Å; K303-A340 HydrophobicContact CG-CB 4.13Å; K303-V344 HydrophobicContact CB-CG2 4.15Å; K303-V344 HydrophobicContact CG-CG2 3.83Å
304	T	82.5	Confident	81.1	Confident	62 Å²	62	35.2 Å²	35.2	38%	0.38	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-45.7	178.2	-54.9	0	0	0	0	110.5	S300 D301 I306 L307 Q308	S300-T304 PolarHBondContact O-N 3.06Å; S300-T304 VanDerWaalsContact O-N 3.08Å; S300-T304 PolarHBondContact O-OG1 2.91Å; S300-T304 VanDerWaalsContact O-OG1 3.06Å; D301-T304 PolarHBondContact O-N 2.91Å; D301-T304 VanDerWaalsContact O-N 3.11Å; T304-I306 PolarHBondContact O-N 3.4Å; T304-L307 PolarHBondContact O-N 3Å; T304-Q308 HydrophobicContact CG2-CG 4.41Å; T304-Q308 WeakPolarHBondContact O-CG 3.45Å; T304-Q308 PolarHBondContact O-N 3.44Å
305	V	84.4	Confident	80.9	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-45.3	177	171.4	0	0	0	0	111.4	K271 L293 L294 D301 K303 L307 Q308 L309	K271-V305 HydrophobicContact CD-CG2 4.12Å; L293-V305 HydrophobicContact CB-CG1 4.43Å; L294-V305 HydrophobicContact CD2-CG1 4.48Å; D301-V305 WeakPolarHBondContact O-CG2 3.32Å; D301-V305 PolarHBondContact O-N 3.21Å; K303-V305 VanDerWaalsContact C-N 3.35Å; V305-L307 VanDerWaalsContact C-N 3.33Å; V305-L307 PolarHBondContact O-N 3.27Å; V305-Q308 PolarHBondContact O-N 3.35Å; V305-L309 HydrophobicContact CG1-CD1 3.63Å; V305-L309 HydrophobicContact CG1-CG 4.1Å; V305-L309 WeakPolarHBondContact O-CB 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.31Å; V305-L309 PolarHBondContact O-N 3.1Å
306	I	85.6	Confident	80.8	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-44	177.6	-70.4	164.3	0	0	0	111.4	A302 K303 T304 L309 R310 F337 A340 V341 V344	A302-I306 WeakPolarHBondContact O-CD1 3.46Å; A302-I306 VanDerWaalsContact O-CG1 3.25Å; A302-I306 WeakPolarHBondContact O-CG1 3.46Å; A302-I306 PolarHBondContact O-N 3.23Å; K303-I306 PolarHBondContact O-N 3.45Å; T304-I306 PolarHBondContact O-N 3.4Å; I306-L309 PolarHBondContact O-N 2.93Å; I306-R310 WeakPolarHBondContact O-CB 3.47Å; I306-R310 PolarHBondContact O-N 3.36Å; I306-F337 HydrophobicContact CD1-CD2 4.45Å; I306-F337 HydrophobicContact CD1-CE2 4.05Å; I306-F337 HydrophobicContact CD1-CZ 4.21Å; I306-F337 HydrophobicContact CG1-CD2 4.4Å; I306-F337 HydrophobicContact CG1-CE2 3.58Å; I306-F337 HydrophobicContact CG1-CZ 3.71Å; I306-A340 HydrophobicContact CD1-CB 3.59Å; I306-V341 HydrophobicContact CD1-CB 4.4Å; I306-V341 HydrophobicContact CD1-CG2 3.63Å; I306-V341 HydrophobicContact CG1-CG2 4.48Å; I306-V344 HydrophobicContact CG2-CG1 4.35Å
307	L	83.3	Confident	80.8	Confident	57 Å²	57	42.8 Å²	42.8	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-67.5	-41	-179.9	-68.1	172.1	0	0	0	112	K303 T304 V305 R310 G311 V344 L353 I354	K303-L307 WeakPolarHBondContact O-CG 3.35Å; K303-L307 PolarHBondContact O-N 2.72Å; K303-L307 VanDerWaalsContact O-N 3.13Å; T304-L307 PolarHBondContact O-N 3Å; V305-L307 VanDerWaalsContact C-N 3.33Å; V305-L307 PolarHBondContact O-N 3.27Å; L307-R310 PolarHBondContact O-N 3.47Å; L307-G311 PolarHBondContact O-N 2.95Å; L307-V344 HydrophobicContact CD2-CG1 4.24Å; L307-L353 HydrophobicContact CD1-CD2 4.34Å; L307-L353 HydrophobicContact CD2-CB 4.41Å; L307-I354 HydrophobicContact CD2-CD1 4.06Å; L307-I354 HydrophobicContact CD2-CG1 3.66Å
308	Q	82	Confident	81	Confident	38 Å²	38	40.3 Å²	40.3	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-44.8	175.6	-71.6	177.3	-16.3	0	0	111.4	S275 T304 V305 R310 G311 N312	S275-Q308 WeakPolarHBondContact OG-CB 3.49Å; T304-Q308 HydrophobicContact CG2-CG 4.41Å; T304-Q308 WeakPolarHBondContact O-CG 3.45Å; T304-Q308 PolarHBondContact O-N 3.44Å; V305-Q308 PolarHBondContact O-N 3.35Å; Q308-R310 PolarHBondContact O-N 2.9Å; Q308-G311 PolarHBondContact O-N 3.1Å; Q308-N312 WeakPolarHBondContact O-CB 3.4Å; Q308-N312 PolarHBondContact O-N 3.46Å; Q308-N312 PolarHBondContact O-ND2 3.49Å
309	L	83.7	Confident	81.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-40.3	177.4	-70.5	175.3	0	0	0	112.3	I278 L290 L293 L294 V305 I306 G311 N312 V313 F327 F362	I278-L309 HydrophobicContact CD1-CD2 3.47Å; I278-L309 VanDerWaalsContact CD1-CD2 3.47Å; L290-L309 HydrophobicContact CD2-CD1 4.15Å; L290-L309 HydrophobicContact CD2-CD2 3.53Å; L293-L309 HydrophobicContact CD1-CD2 4.13Å; L294-L309 HydrophobicContact CD2-CD1 3.76Å; V305-L309 HydrophobicContact CG1-CD1 3.63Å; V305-L309 HydrophobicContact CG1-CG 4.1Å; V305-L309 WeakPolarHBondContact O-CB 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.31Å; V305-L309 PolarHBondContact O-N 3.1Å; I306-L309 PolarHBondContact O-N 2.93Å; L309-G311 VanDerWaalsContact C-N 3.26Å; L309-G311 PolarHBondContact O-N 2.89Å; L309-N312 PolarHBondContact O-N 3.32Å; L309-V313 HydrophobicContact CB-CG2 4.31Å; L309-V313 HydrophobicContact CD2-CG2 3.94Å; L309-V313 VanDerWaalsContact O-CB 3.25Å; L309-V313 WeakPolarHBondContact O-CB 3.26Å; L309-V313 VanDerWaalsContact O-CG2 3.31Å; L309-V313 WeakPolarHBondContact O-CG2 3.42Å; L309-V313 PolarHBondContact O-N 3.09Å; L309-F327 HydrophobicContact CD1-CE1 3.98Å; L309-F327 HydrophobicContact CD1-CZ 3.93Å; L309-F362 HydrophobicContact CB-CZ 4.45Å
310	R	82.1	Confident	80.9	Confident	32 Å²	32	39.7 Å²	39.7	12%	0.121	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-35.5	175	-170.6	-177.4	-172.3	-89.3	-3.5	112.5	I306 L307 Q308 I354 P358 F362 D363	I306-R310 WeakPolarHBondContact O-CB 3.47Å; I306-R310 PolarHBondContact O-N 3.36Å; L307-R310 PolarHBondContact O-N 3.47Å; Q308-R310 PolarHBondContact O-N 2.9Å; R310-I354 VanDerWaalsContact NH1-CG2 3.29Å; R310-P358 PolarHBondContact NH2-O 2.85Å; R310-P358 VanDerWaalsContact NH2-O 3.13Å; R310-F362 HydrophobicContact CB-CD1 4.46Å; R310-F362 HydrophobicContact CB-CE1 4.04Å; R310-F362 HydrophobicContact CG-CD1 4.32Å; R310-F362 HydrophobicContact CG-CE1 4.34Å; R310-D363 WeakPolarHBondContact CD-OD1 3.41Å; R310-D363 IonicContact CZ-OD1 2.78Å; R310-D363 IonicContact CZ-OD2 3.94Å; R310-D363 VanDerWaalsContact NE-CG 3.35Å; R310-D363 IonicContact NE-OD1 3.36Å; R310-D363 PolarHBondContact NE-OD1 3.02Å; R310-D363 IonicContact NE-OD2 3.65Å; R310-D363 PolarHBondContact NE-OD2 3Å; R310-D363 VanDerWaalsContact NE-OD2 3.08Å; R310-D363 IonicContact NH2-OD1 3.68Å; R310-D363 IonicContact NH2-OD2 3.04Å; R310-D363 PolarHBondContact NH2-OD2 2.91Å
311	G	79.4	Confident	80.7	Confident	65 Å²	65	38.6 Å²	38.6	67%	0.67	23%	0.229	S	C	*	.	H	α-helix	trans	-76.2	-33.2	178.1	0	0	0	0	0	113.9	L307 Q308 L309	L307-G311 PolarHBondContact O-N 2.95Å; Q308-G311 PolarHBondContact O-N 3.1Å; L309-G311 VanDerWaalsContact C-N 3.26Å; L309-G311 PolarHBondContact O-N 2.89Å
312	N	78.9	Confident	80.6	Confident	38 Å²	38	45.6 Å²	45.6	20%	0.203	25%	0.254	C	S	.	.	H	α-helix	trans	-104.9	-23.4	-168	-66.1	-22.7	0	0	0	114.2	S275 I278 Q308 L309	S275-N312 VanDerWaalsContact C-ND2 3.26Å; S275-N312 WeakPolarHBondContact O-CB 3.27Å; S275-N312 PolarHBondContact O-ND2 2.87Å; S275-N312 PolarHBondContact OG-ND2 3.42Å; I278-N312 HydrophobicContact CB-CB 4.3Å; I278-N312 HydrophobicContact CD1-CB 4.44Å; I278-N312 HydrophobicContact CG2-CB 4.46Å; Q308-N312 WeakPolarHBondContact O-CB 3.4Å; Q308-N312 PolarHBondContact O-N 3.46Å; Q308-N312 PolarHBondContact O-ND2 3.49Å; L309-N312 PolarHBondContact O-N 3.32Å
313	V	78.6	Confident	80.6	Confident	10 Å²	10	45.6 Å²	45.6	6%	0.061	25%	0.254	C	S	.	.			trans	-93.7	116.5	-179.2	-175.8	0	0	0	0	110.3	I278 L309 F318	I278-V313 HydrophobicContact CD1-CG2 4.23Å; I278-V313 HydrophobicContact CG2-CG2 3.9Å; L309-V313 HydrophobicContact CB-CG2 4.31Å; L309-V313 HydrophobicContact CD2-CG2 3.94Å; L309-V313 VanDerWaalsContact O-CB 3.25Å; L309-V313 WeakPolarHBondContact O-CB 3.26Å; L309-V313 VanDerWaalsContact O-CG2 3.31Å; L309-V313 WeakPolarHBondContact O-CG2 3.42Å; L309-V313 PolarHBondContact O-N 3.09Å; V313-F318 HydrophobicContact CG1-CB 3.79Å; V313-F318 HydrophobicContact CG1-CD2 4.16Å; V313-F318 HydrophobicContact CG1-CG 4.48Å
314	T	77.4	Confident	80.4	Confident	78 Å²	78	43.1 Å²	43.1	48%	0.479	24%	0.243	S	C	.	.			trans	-74.1	148	171.4	58.2	0	0	0	0	111	E316 K317 F318	T314-E316 PolarHBondContact O-N 3.42Å; T314-K317 PolarHBondContact O-N 3.44Å; T314-K317 VanDerWaalsContact O-N 3.11Å; T314-K317 WeakPolarHBondContact OG1-CG 3.34Å; T314-F318 PolarHBondContact O-N 2.94Å
315	T	75.6	Confident	80.4	Confident	27 Å²	27	43.9 Å²	43.9	17%	0.166	25%	0.245	C	C	.	.	H	α-helix	trans	-56.3	-39.7	179.4	47.5	0	0	0	0	111.9	F318 F319 Q360 A361	T315-F318 PolarHBondContact O-N 3.23Å; T315-F319 VanDerWaalsContact O-CD2 3.27Å; T315-F319 WeakPolarHBondContact O-CD2 3.26Å; T315-F319 PolarHBondContact O-N 3.05Å; T315-Q360 HydrophobicContact CG2-CB 4.39Å; T315-A361 HydrophobicContact CG2-CB 4.1Å
316	E	76.5	Confident	80.3	Confident	147 Å²	147	45 Å²	45	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-63	-41.3	176.9	-63.9	-175.3	170.4	0	0	113.2	T314 T320	T314-E316 PolarHBondContact O-N 3.42Å; E316-T320 WeakPolarHBondContact O-CG2 3.45Å
317	K	77.8	Confident	80.3	Confident	61 Å²	61	45 Å²	45	27%	0.265	25%	0.25	S	S	.	.	H	α-helix	trans	-72.7	-34.9	177	-76.8	-167.6	173.9	-161.2	0	112.2	P279 M281 T314 F319 T320	P279-K317 PolarHBondContact O-NZ 3.37Å; M281-K317 PolarHBondContact O-NZ 3.45Å; T314-K317 PolarHBondContact O-N 3.44Å; T314-K317 VanDerWaalsContact O-N 3.11Å; T314-K317 WeakPolarHBondContact OG1-CG 3.34Å; K317-F319 PolarHBondContact O-N 3.24Å; K317-T320 PolarHBondContact O-N 3.13Å; K317-T320 PolarHBondContact O-OG1 3.14Å
318	F	81	Confident	80.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-44.4	-179.4	-177.6	-95.6	0	0	0	112.4	V313 T314 T315 T320 V323 P324 F327 F362 Y365	V313-F318 HydrophobicContact CG1-CB 3.79Å; V313-F318 HydrophobicContact CG1-CD2 4.16Å; V313-F318 HydrophobicContact CG1-CG 4.48Å; T314-F318 PolarHBondContact O-N 2.94Å; T315-F318 PolarHBondContact O-N 3.23Å; F318-T320 PolarHBondContact O-N 2.83Å; F318-V323 HydrophobicContact CD2-CG1 4.26Å; F318-V323 WeakPolarHBondContact O-CB 3.42Å; F318-V323 WeakPolarHBondContact O-CG1 3.3Å; F318-P324 WeakPolarHBondContact O-CD 3.34Å; F318-P324 WeakPolarHBondContact O-CG 3.46Å; F318-F327 HydrophobicContact CD2-CD2 4.08Å; F318-F327 AromaticContact CD2-CE2 3.77Å; F318-F327 HydrophobicContact CD2-CE2 3.77Å; F318-F327 HydrophobicContact CD2-CZ 4.22Å; F318-F327 HydrophobicContact CE2-CB 4.32Å; F318-F327 HydrophobicContact CE2-CD1 4.01Å; F318-F327 AromaticContact CE2-CD2 3.24Å; F318-F327 HydrophobicContact CE2-CD2 3.24Å; F318-F327 HydrophobicContact CE2-CE1 4.06Å; F318-F327 AromaticContact CE2-CE2 3.3Å; F318-F327 HydrophobicContact CE2-CE2 3.3Å; F318-F327 AromaticContact CE2-CG 3.6Å; F318-F327 HydrophobicContact CE2-CG 3.6Å; F318-F327 AromaticContact CE2-CZ 3.71Å; F318-F327 HydrophobicContact CE2-CZ 3.71Å; F318-F327 HydrophobicContact CZ-CB 4.17Å; F318-F327 HydrophobicContact CZ-CD1 4.49Å; F318-F327 AromaticContact CZ-CD2 3.89Å; F318-F327 HydrophobicContact CZ-CD2 3.89Å; F318-F327 HydrophobicContact CZ-CE2 4.35Å; F318-F327 AromaticContact CZ-CG 3.94Å; F318-F327 HydrophobicContact CZ-CG 3.94Å; F318-F362 HydrophobicContact CD1-CD2 4.38Å; F318-F362 AromaticContact CD2-CD2 3.45Å; F318-F362 HydrophobicContact CD2-CD2 3.45Å; F318-F362 VanDerWaalsContact CD2-CD2 3.45Å; F318-F362 AromaticContact CD2-CE2 3.72Å; F318-F362 HydrophobicContact CD2-CE2 3.72Å; F318-F362 HydrophobicContact CE1-CD2 4.36Å; F318-F362 AromaticContact CE2-CD2 3.37Å; F318-F362 HydrophobicContact CE2-CD2 3.37Å; F318-F362 AromaticContact CE2-CE2 3.4Å; F318-F362 HydrophobicContact CE2-CE2 3.4Å; F318-F362 VanDerWaalsContact CE2-CE2 3.4Å; F318-F362 AromaticContact CG-CD2 3.96Å; F318-F362 HydrophobicContact CG-CD2 3.96Å; F318-F362 AromaticContact CZ-CD2 3.88Å; F318-F362 HydrophobicContact CZ-CD2 3.88Å; F318-F362 HydrophobicContact CZ-CE2 4.15Å; F318-Y365 AromaticContact CE1-CD1 3.46Å; F318-Y365 HydrophobicContact CE1-CD1 3.46Å; F318-Y365 VanDerWaalsContact CE1-CD1 3.46Å; F318-Y365 AromaticContact CE1-CE1 3.84Å; F318-Y365 HydrophobicContact CE1-CE1 3.84Å; F318-Y365 HydrophobicContact CE1-CG 4.19Å; F318-Y365 AromaticContact CZ-CD1 3.59Å; F318-Y365 HydrophobicContact CZ-CD1 3.59Å; F318-Y365 AromaticContact CZ-CE1 3.89Å; F318-Y365 HydrophobicContact CZ-CE1 3.89Å
319	F	80.7	Confident	80.5	Confident	11 Å²	11	44.7 Å²	44.7	5%	0.048	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	35.8	-177.9	-64.9	-70.7	0	0	0	113.3	T315 K317 P324 A361 Y365 Y403 Y406	T315-F319 VanDerWaalsContact O-CD2 3.27Å; T315-F319 WeakPolarHBondContact O-CD2 3.26Å; T315-F319 PolarHBondContact O-N 3.05Å; K317-F319 PolarHBondContact O-N 3.24Å; F319-P324 HydrophobicContact CD1-CG 4.31Å; F319-A361 HydrophobicContact CE2-CB 3.92Å; F319-A361 HydrophobicContact CZ-CB 4.41Å; F319-Y365 HydrophobicContact CE1-CD1 4.46Å; F319-Y365 HydrophobicContact CE1-CD2 4.11Å; F319-Y365 HydrophobicContact CE1-CG 4.08Å; F319-Y365 HydrophobicContact CZ-CG 4.29Å; F319-Y403 HydrophobicContact CB-CD1 3.42Å; F319-Y403 VanDerWaalsContact CB-CD1 3.42Å; F319-Y403 HydrophobicContact CB-CD2 4.32Å; F319-Y403 HydrophobicContact CB-CE1 3.63Å; F319-Y403 HydrophobicContact CB-CG 3.79Å; F319-Y403 HydrophobicContact CD1-CD2 4.39Å; F319-Y403 HydrophobicContact CD1-CG 4.06Å; F319-Y403 HydrophobicContact CD2-CD1 4.19Å; F319-Y403 AromaticContact CD2-CD2 3.52Å; F319-Y403 HydrophobicContact CD2-CD2 3.52Å; F319-Y403 HydrophobicContact CD2-CE1 4.22Å; F319-Y403 AromaticContact CD2-CE2 3.56Å; F319-Y403 HydrophobicContact CD2-CE2 3.56Å; F319-Y403 AromaticContact CD2-CG 3.84Å; F319-Y403 HydrophobicContact CD2-CG 3.84Å; F319-Y403 AromaticContact CD2-CZ 3.91Å; F319-Y403 AromaticContact CE2-CD2 3.86Å; F319-Y403 HydrophobicContact CE2-CD2 3.86Å; F319-Y403 HydrophobicContact CE2-CE2 4.05Å; F319-Y403 HydrophobicContact CE2-CG 4.46Å; F319-Y403 AromaticContact CG-CD1 3.83Å; F319-Y403 HydrophobicContact CG-CD1 3.83Å; F319-Y403 AromaticContact CG-CD2 3.83Å; F319-Y403 HydrophobicContact CG-CD2 3.83Å; F319-Y403 HydrophobicContact CG-CE1 4.18Å; F319-Y403 HydrophobicContact CG-CE2 4.19Å; F319-Y403 AromaticContact CG-CG 3.63Å; F319-Y403 HydrophobicContact CG-CG 3.63Å; F319-Y403 HydrophobicContact CZ-CD2 4.42Å; F319-Y406 HydrophobicContact CB-CE2 4.01Å; F319-Y406 AromaticContact CD1-CD2 3.83Å; F319-Y406 HydrophobicContact CD1-CD2 3.83Å; F319-Y406 HydrophobicContact CD1-CE2 4.14Å; F319-Y406 PolarHBondContact O-OH 3.48Å
320	T	77.5	Confident	80.6	Confident	56 Å²	56	44.8 Å²	44.8	34%	0.344	25%	0.254	S	S	.	.	S	Bend	trans	-117.3	137.4	177.4	61.9	0	0	0	0	112.4	E316 K317 F318 R322 V323	E316-T320 WeakPolarHBondContact O-CG2 3.45Å; K317-T320 PolarHBondContact O-N 3.13Å; K317-T320 PolarHBondContact O-OG1 3.14Å; F318-T320 PolarHBondContact O-N 2.83Å; T320-R322 PolarHBondContact O-N 2.88Å; T320-V323 WeakPolarHBondContact O-CB 3.49Å; T320-V323 PolarHBondContact O-N 3.21Å
321	G	77	Confident	80.7	Confident	54 Å²	54	43.2 Å²	43.2	56%	0.557	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	-129.6	172.6	0	0	0	0	0	113.3
322	R	79	Confident	80.9	Confident	166 Å²	166	44 Å²	44	63%	0.626	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	3.5	-177.6	-68.1	-170.7	-76.8	-177.9	-1.9	113.9	T320 D325 I326	T320-R322 PolarHBondContact O-N 2.88Å; R322-D325 PolarHBondContact O-N 2.87Å; R322-I326 WeakPolarHBondContact O-CG1 3.33Å; R322-I326 PolarHBondContact O-N 2.97Å
323	V	82.9	Confident	81.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-48.6	-175.1	173.7	0	0	0	0	112.4	L286 L290 F318 T320 D325 I326 F327	L286-V323 HydrophobicContact CD2-CG2 3.98Å; L286-V323 HydrophobicContact CG-CG2 4.17Å; L290-V323 HydrophobicContact CD1-CG1 3.59Å; L290-V323 HydrophobicContact CD1-CG2 4.41Å; F318-V323 HydrophobicContact CD2-CG1 4.26Å; F318-V323 WeakPolarHBondContact O-CB 3.42Å; F318-V323 WeakPolarHBondContact O-CG1 3.3Å; T320-V323 WeakPolarHBondContact O-CB 3.49Å; T320-V323 PolarHBondContact O-N 3.21Å; V323-D325 VanDerWaalsContact C-N 3.29Å; V323-D325 PolarHBondContact O-N 2.59Å; V323-I326 WeakPolarHBondContact O-CB 3.43Å; V323-I326 PolarHBondContact O-N 3.41Å; V323-F327 HydrophobicContact CG1-CD2 4.08Å; V323-F327 HydrophobicContact CG1-CE2 3.94Å; V323-F327 WeakPolarHBondContact O-CD2 3.04Å; V323-F327 PolarHBondContact O-N 3.31Å
324	P	82.8	Confident	81.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-35.7	178.8	-26.1	38	0	0	0	113.5	F318 F319 I326 F327 E328 Y365 Y406	F318-P324 WeakPolarHBondContact O-CD 3.34Å; F318-P324 WeakPolarHBondContact O-CG 3.46Å; F319-P324 HydrophobicContact CD1-CG 4.31Å; P324-I326 VanDerWaalsContact C-N 3.28Å; P324-I326 PolarHBondContact O-N 3.38Å; P324-F327 PolarHBondContact O-N 3.08Å; P324-F327 VanDerWaalsContact O-N 3.15Å; P324-E328 PolarHBondContact O-N 3.22Å; P324-Y365 HydrophobicContact CB-CE1 4.28Å; P324-Y406 HydrophobicContact CB-CD1 3.78Å; P324-Y406 HydrophobicContact CB-CE1 4.12Å; P324-Y406 HydrophobicContact CB-CG 4.16Å; P324-Y406 HydrophobicContact CG-CD1 3.81Å; P324-Y406 HydrophobicContact CG-CD2 4.4Å; P324-Y406 HydrophobicContact CG-CE1 3.7Å; P324-Y406 HydrophobicContact CG-CE2 4.3Å; P324-Y406 HydrophobicContact CG-CG 4.16Å
325	D	82.2	Confident	81.3	Confident	79 Å²	79	58 Å²	58	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-33.9	179.2	-60	-32	0	0	0	112.2	R322 V323 E328 S329	R322-D325 PolarHBondContact O-N 2.87Å; V323-D325 VanDerWaalsContact C-N 3.29Å; V323-D325 PolarHBondContact O-N 2.59Å; D325-E328 PolarHBondContact O-N 2.84Å; D325-S329 VanDerWaalsContact O-CB 3.32Å; D325-S329 WeakPolarHBondContact O-CB 3.49Å; D325-S329 PolarHBondContact O-N 3.48Å; D325-S329 PolarHBondContact O-OG 3.1Å
326	I	83	Confident	81.7	Confident	26 Å²	26	59.7 Å²	59.7	13%	0.133	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-42.1	175.5	-57.9	161.1	0	0	0	109.8	T287 L290 L294 R322 V323 P324 S329 A330	T287-I326 HydrophobicContact CG2-CD1 3.35Å; T287-I326 HydrophobicContact CG2-CG1 4.36Å; L290-I326 HydrophobicContact CB-CG2 4.32Å; L294-I326 HydrophobicContact CD1-CG2 3.8Å; R322-I326 WeakPolarHBondContact O-CG1 3.33Å; R322-I326 PolarHBondContact O-N 2.97Å; V323-I326 WeakPolarHBondContact O-CB 3.43Å; V323-I326 PolarHBondContact O-N 3.41Å; P324-I326 VanDerWaalsContact C-N 3.28Å; P324-I326 PolarHBondContact O-N 3.38Å; I326-S329 PolarHBondContact O-N 3.15Å; I326-A330 VanDerWaalsContact O-CB 3.27Å; I326-A330 WeakPolarHBondContact O-CB 3.48Å; I326-A330 PolarHBondContact O-N 2.87Å
327	F	86	Confident	82.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-41.6	175	-82.6	-88.4	0	0	0	111.9	L290 L294 L309 F318 V323 P324 S329 A330 V331 F337 F362 L366	L290-F327 HydrophobicContact CD1-CD2 4.4Å; L290-F327 HydrophobicContact CD1-CE2 3.59Å; L290-F327 HydrophobicContact CD1-CZ 4.33Å; L290-F327 HydrophobicContact CD2-CE2 3.96Å; L290-F327 HydrophobicContact CD2-CZ 3.86Å; L290-F327 HydrophobicContact CG-CE2 4.36Å; L294-F327 HydrophobicContact CD1-CD1 4.28Å; L294-F327 HydrophobicContact CD1-CE1 4.33Å; L294-F327 HydrophobicContact CD1-CG 4.42Å; L294-F327 HydrophobicContact CD1-CZ 4.5Å; L294-F327 HydrophobicContact CD2-CD1 4.33Å; L294-F327 HydrophobicContact CD2-CE1 3.96Å; L309-F327 HydrophobicContact CD1-CE1 3.98Å; L309-F327 HydrophobicContact CD1-CZ 3.93Å; F318-F327 HydrophobicContact CD2-CD2 4.08Å; F318-F327 AromaticContact CD2-CE2 3.77Å; F318-F327 HydrophobicContact CD2-CE2 3.77Å; F318-F327 HydrophobicContact CD2-CZ 4.22Å; F318-F327 HydrophobicContact CE2-CB 4.32Å; F318-F327 HydrophobicContact CE2-CD1 4.01Å; F318-F327 AromaticContact CE2-CD2 3.24Å; F318-F327 HydrophobicContact CE2-CD2 3.24Å; F318-F327 HydrophobicContact CE2-CE1 4.06Å; F318-F327 AromaticContact CE2-CE2 3.3Å; F318-F327 HydrophobicContact CE2-CE2 3.3Å; F318-F327 AromaticContact CE2-CG 3.6Å; F318-F327 HydrophobicContact CE2-CG 3.6Å; F318-F327 AromaticContact CE2-CZ 3.71Å; F318-F327 HydrophobicContact CE2-CZ 3.71Å; F318-F327 HydrophobicContact CZ-CB 4.17Å; F318-F327 HydrophobicContact CZ-CD1 4.49Å; F318-F327 AromaticContact CZ-CD2 3.89Å; F318-F327 HydrophobicContact CZ-CD2 3.89Å; F318-F327 HydrophobicContact CZ-CE2 4.35Å; F318-F327 AromaticContact CZ-CG 3.94Å; F318-F327 HydrophobicContact CZ-CG 3.94Å; V323-F327 HydrophobicContact CG1-CD2 4.08Å; V323-F327 HydrophobicContact CG1-CE2 3.94Å; V323-F327 WeakPolarHBondContact O-CD2 3.04Å; V323-F327 PolarHBondContact O-N 3.31Å; P324-F327 PolarHBondContact O-N 3.08Å; P324-F327 VanDerWaalsContact O-N 3.15Å; F327-S329 VanDerWaalsContact C-N 3.31Å; F327-S329 PolarHBondContact O-N 3.49Å; F327-A330 PolarHBondContact O-N 3.41Å; F327-V331 WeakPolarHBondContact O-CB 3.36Å; F327-V331 VanDerWaalsContact O-CG2 3.26Å; F327-V331 WeakPolarHBondContact O-CG2 3.44Å; F327-V331 PolarHBondContact O-N 2.83Å; F327-F337 HydrophobicContact CD1-CE1 4.48Å; F327-F337 HydrophobicContact CD1-CZ 4.43Å; F327-F337 HydrophobicContact CE1-CZ 4.41Å; F327-F362 AromaticContact CE1-CE2 3.88Å; F327-F362 HydrophobicContact CE1-CE2 3.88Å; F327-F362 HydrophobicContact CE1-CZ 4.24Å; F327-F362 HydrophobicContact CZ-CE2 4.02Å; F327-L366 HydrophobicContact CD1-CD2 3.91Å
328	E	86.4	Confident	82.5	Confident	30 Å²	30	50.3 Å²	50.3	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-46.2	173.1	178.6	169.7	152.7	0	0	110.6	P324 D325 R332 L369 S409	P324-E328 PolarHBondContact O-N 3.22Å; D325-E328 PolarHBondContact O-N 2.84Å; E328-R332 VanDerWaalsContact O-CB 3.32Å; E328-R332 WeakPolarHBondContact O-CB 3.4Å; E328-R332 VanDerWaalsContact O-CG 3.3Å; E328-R332 WeakPolarHBondContact O-CG 3.48Å; E328-R332 PolarHBondContact O-N 2.87Å; E328-R332 IonicContact OE1-CZ 3.48Å; E328-R332 IonicContact OE1-NE 3.3Å; E328-R332 IonicContact OE1-NH1 3.87Å; E328-R332 PolarHBondContact OE1-NH1 3.2Å; E328-R332 IonicContact OE1-NH2 2.75Å; E328-R332 PolarHBondContact OE1-NH2 2.92Å; E328-R332 IonicContact OE2-NH2 2.79Å; E328-L369 HydrophobicContact CB-CD1 4.43Å; E328-L369 HydrophobicContact CB-CD2 3.86Å; E328-L369 HydrophobicContact CG-CD2 3.83Å; E328-S409 PolarHBondContact OE2-OG 3.17Å
329	S	83.1	Confident	82.8	Confident	59 Å²	59	52.2 Å²	52.2	41%	0.413	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-40.7	177.1	-60	0	0	0	0	112.2	D325 I326 F327 R332 F333	D325-S329 VanDerWaalsContact O-CB 3.32Å; D325-S329 WeakPolarHBondContact O-CB 3.49Å; D325-S329 PolarHBondContact O-N 3.48Å; D325-S329 PolarHBondContact O-OG 3.1Å; I326-S329 PolarHBondContact O-N 3.15Å; F327-S329 VanDerWaalsContact C-N 3.31Å; F327-S329 PolarHBondContact O-N 3.49Å; S329-R332 PolarHBondContact O-N 3.45Å; S329-F333 WeakPolarHBondContact O-CB 3.39Å; S329-F333 WeakPolarHBondContact O-CD2 3.5Å; S329-F333 PolarHBondContact O-N 3.46Å
330	A	83.9	Confident	83.1	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-46.6	178.3	0	0	0	0	0	111.9	L294 I326 F327 R332 R334 F337	L294-A330 HydrophobicContact CB-CB 4.03Å; L294-A330 HydrophobicContact CD1-CB 3.8Å; L294-A330 HydrophobicContact CG-CB 4.34Å; I326-A330 VanDerWaalsContact O-CB 3.27Å; I326-A330 WeakPolarHBondContact O-CB 3.48Å; I326-A330 PolarHBondContact O-N 2.87Å; F327-A330 PolarHBondContact O-N 3.41Å; A330-R332 VanDerWaalsContact C-N 3.32Å; A330-R332 PolarHBondContact O-N 3.39Å; A330-R334 HydrophobicContact CB-CG 4.45Å; A330-R334 VanDerWaalsContact O-CB 3.24Å; A330-R334 WeakPolarHBondContact O-CB 3.37Å; A330-R334 PolarHBondContact O-N 3.2Å; A330-F337 HydrophobicContact CB-CD1 4.31Å
331	V	86	Confident	83.6	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-35.7	177.4	174.4	0	0	0	0	111.2	F327 F337 D338 L366 L369 L370 T373	F327-V331 WeakPolarHBondContact O-CB 3.36Å; F327-V331 VanDerWaalsContact O-CG2 3.26Å; F327-V331 WeakPolarHBondContact O-CG2 3.44Å; F327-V331 PolarHBondContact O-N 2.83Å; V331-F337 HydrophobicContact CB-CD1 4.47Å; V331-F337 HydrophobicContact CG2-CD1 3.63Å; V331-F337 HydrophobicContact CG2-CE1 3.66Å; V331-D338 WeakPolarHBondContact O-CB 3.48Å; V331-L366 HydrophobicContact CG2-CD2 4.11Å; V331-L369 HydrophobicContact CB-CB 4.37Å; V331-L369 HydrophobicContact CG1-CB 3.96Å; V331-L369 HydrophobicContact CG2-CB 4.49Å; V331-L369 HydrophobicContact CG2-CD1 4.19Å; V331-L370 HydrophobicContact CG1-CD2 3.92Å; V331-T373 HydrophobicContact CG1-CG2 3.73Å
332	R	83.2	Confident	84	Confident	82 Å²	82	47 Å²	47	31%	0.309	21%	0.205	S	C	.	.	H	α-helix	trans	-80.1	-40.5	-178.9	-75.2	-174.4	-179.2	158.6	17.2	114.5	E328 S329 A330	E328-R332 VanDerWaalsContact O-CB 3.32Å; E328-R332 WeakPolarHBondContact O-CB 3.4Å; E328-R332 VanDerWaalsContact O-CG 3.3Å; E328-R332 WeakPolarHBondContact O-CG 3.48Å; E328-R332 PolarHBondContact O-N 2.87Å; E328-R332 IonicContact OE1-CZ 3.48Å; E328-R332 IonicContact OE1-NE 3.3Å; E328-R332 IonicContact OE1-NH1 3.87Å; E328-R332 PolarHBondContact OE1-NH1 3.2Å; E328-R332 IonicContact OE1-NH2 2.75Å; E328-R332 PolarHBondContact OE1-NH2 2.92Å; E328-R332 IonicContact OE2-NH2 2.79Å; S329-R332 PolarHBondContact O-N 3.45Å; A330-R332 VanDerWaalsContact C-N 3.32Å; A330-R332 PolarHBondContact O-N 3.39Å
333	F	82	Confident	84.4	Confident	166 Å²	166	42.1 Å²	42.1	73%	0.728	19%	0.189	S	C	*	.	H	α-helix	trans	-113.3	-14.4	-165.3	-57.1	-64.3	0	0	0	114.3	S329	S329-F333 WeakPolarHBondContact O-CB 3.39Å; S329-F333 WeakPolarHBondContact O-CD2 3.5Å; S329-F333 PolarHBondContact O-N 3.46Å
334	R	82.1	Confident	84.5	Confident	74 Å²	74	42.1 Å²	42.1	28%	0.279	19%	0.189	S	C	.	.			trans	-92.8	128.2	-179.1	-60.1	-174.9	-173.3	-110.5	15	112.1	S291 L294 A330 Y336 F337	S291-R334 PolarHBondContact O-NH2 3Å; L294-R334 WeakPolarHBondContact O-CD 3.29Å; A330-R334 HydrophobicContact CB-CG 4.45Å; A330-R334 VanDerWaalsContact O-CB 3.24Å; A330-R334 WeakPolarHBondContact O-CB 3.37Å; A330-R334 PolarHBondContact O-N 3.2Å; R334-Y336 VanDerWaalsContact C-N 3.32Å; R334-Y336 PolarHBondContact O-N 2.96Å; R334-Y336 VanDerWaalsContact O-N 3.15Å; R334-F337 HydrophobicContact CB-CB 4.2Å; R334-F337 PolarHBondContact O-N 3.36Å
335	R	79.2	Confident	84.6	Confident	178 Å²	178	42.1 Å²	42.1	67%	0.672	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-35	-169.4	-176.9	178	177.1	-176.8	-1.2	115.9	R374	R335-R374 PolarHBondContact O-NH2 2.93Å
336	Y	82.8	Confident	84.8	Confident	64 Å²	64	41.8 Å²	41.8	25%	0.251	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-15.4	-172.4	-57.8	-66.9	0	0	0	113.9	C296 Q297 R334 A340	C296-Y336 WeakPolarHBondContact O-CD2 3.37Å; Q297-Y336 WeakPolarHBondContact O-CE2 3.42Å; R334-Y336 VanDerWaalsContact C-N 3.32Å; R334-Y336 PolarHBondContact O-N 2.96Å; R334-Y336 VanDerWaalsContact O-N 3.15Å; Y336-A340 VanDerWaalsContact O-CB 3.25Å; Y336-A340 WeakPolarHBondContact O-CB 3.39Å; Y336-A340 PolarHBondContact O-N 3.2Å
337	F	85	Confident	84.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-76	-44.2	-169.7	-162.2	-98.3	0	0	0	111.5	L294 I306 F327 A330 V331 R334 E339 A340 V341	L294-F337 HydrophobicContact CD2-CD2 4.06Å; L294-F337 HydrophobicContact CD2-CE1 4.24Å; L294-F337 HydrophobicContact CD2-CE2 3.3Å; L294-F337 HydrophobicContact CD2-CZ 3.41Å; L294-F337 VanDerWaalsContact CD2-CZ 3.41Å; I306-F337 HydrophobicContact CD1-CD2 4.45Å; I306-F337 HydrophobicContact CD1-CE2 4.05Å; I306-F337 HydrophobicContact CD1-CZ 4.21Å; I306-F337 HydrophobicContact CG1-CD2 4.4Å; I306-F337 HydrophobicContact CG1-CE2 3.58Å; I306-F337 HydrophobicContact CG1-CZ 3.71Å; F327-F337 HydrophobicContact CD1-CE1 4.48Å; F327-F337 HydrophobicContact CD1-CZ 4.43Å; F327-F337 HydrophobicContact CE1-CZ 4.41Å; A330-F337 HydrophobicContact CB-CD1 4.31Å; V331-F337 HydrophobicContact CB-CD1 4.47Å; V331-F337 HydrophobicContact CG2-CD1 3.63Å; V331-F337 HydrophobicContact CG2-CE1 3.66Å; R334-F337 HydrophobicContact CB-CB 4.2Å; R334-F337 PolarHBondContact O-N 3.36Å; F337-E339 VanDerWaalsContact C-N 3.33Å; F337-E339 PolarHBondContact O-N 3.41Å; F337-A340 PolarHBondContact O-N 3.16Å; F337-V341 HydrophobicContact CD1-CG2 4.08Å; F337-V341 HydrophobicContact CE1-CG2 3.87Å; F337-V341 HydrophobicContact CZ-CG2 4.45Å; F337-V341 WeakPolarHBondContact O-CG2 3.37Å; F337-V341 PolarHBondContact O-N 2.84Å
338	D	86.9	Confident	83.6	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.043	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-44.6	174.9	64.1	-18.1	0	0	0	112.5	V331 V341 A342 L370 T373 R374 Y375	V331-D338 WeakPolarHBondContact O-CB 3.48Å; D338-V341 PolarHBondContact O-N 3.21Å; D338-A342 PolarHBondContact O-N 3.32Å; D338-A342 VanDerWaalsContact O-N 3.1Å; D338-L370 HydrophobicContact CB-CD2 3.98Å; D338-L370 WeakPolarHBondContact O-CD2 3.47Å; D338-T373 HydrophobicContact CB-CG2 4.41Å; D338-R374 IonicContact OD1-CZ 3.97Å; D338-R374 IonicContact OD1-NE 3.04Å; D338-R374 IonicContact OD1-NH2 3.31Å; D338-R374 PolarHBondContact OD1-NH2 2.89Å; D338-R374 IonicContact OD2-CZ 3.9Å; D338-R374 IonicContact OD2-NE 3.95Å; D338-R374 PolarHBondContact OD2-NE 3.21Å; D338-R374 IonicContact OD2-NH2 2.73Å; D338-R374 PolarHBondContact OD2-NH2 2.94Å; D338-Y375 HydrophobicContact CB-CD2 3.9Å; D338-Y375 HydrophobicContact CB-CE2 4.2Å; D338-Y375 VanDerWaalsContact CG-CE2 3.47Å; D338-Y375 WeakPolarHBondContact OD2-CD2 3.36Å; D338-Y375 VanDerWaalsContact OD2-CE2 3.26Å; D338-Y375 WeakPolarHBondContact OD2-CE2 3.22Å
339	E	87.2	Confident	83	Confident	41 Å²	41	59 Å²	59	19%	0.192	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-40	175.9	-172.4	178	161.7	0	0	112.2	L299 F337 A342 K343 Y375	L299-E339 HydrophobicContact CD1-CB 4.12Å; L299-E339 HydrophobicContact CD1-CG 3.87Å; F337-E339 VanDerWaalsContact C-N 3.33Å; F337-E339 PolarHBondContact O-N 3.41Å; E339-A342 PolarHBondContact O-N 3.22Å; E339-K343 HydrophobicContact CG-CD 4.11Å; E339-K343 WeakPolarHBondContact O-CB 3.24Å; E339-K343 WeakPolarHBondContact O-CG 3.07Å; E339-K343 PolarHBondContact O-N 3.31Å; E339-K343 VanDerWaalsContact OE1-CE 3.32Å; E339-K343 WeakPolarHBondContact OE1-CE 3.41Å; E339-K343 IonicContact OE1-NZ 3.15Å; E339-K343 PolarHBondContact OE1-NZ 3.49Å; E339-Y375 HydrophobicContact CB-CE2 3.74Å; E339-Y375 WeakPolarHBondContact CB-OH 3.4Å; E339-Y375 HydrophobicContact CG-CE1 4.47Å; E339-Y375 HydrophobicContact CG-CE2 4.38Å; E339-Y375 VanDerWaalsContact CG-OH 3.26Å; E339-Y375 WeakPolarHBondContact CG-OH 3.19Å; E339-Y375 PolarHBondContact OE2-OH 2.94Å
340	A	86.7	Confident	82.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-46	177.9	0	0	0	0	0	111.4	L299 A302 K303 I306 Y336 F337 A342 K343 V344	L299-A340 HydrophobicContact CD1-CB 3.98Å; A302-A340 HydrophobicContact CB-CB 3.48Å; A302-A340 VanDerWaalsContact CB-CB 3.48Å; K303-A340 HydrophobicContact CG-CB 4.13Å; I306-A340 HydrophobicContact CD1-CB 3.59Å; Y336-A340 VanDerWaalsContact O-CB 3.25Å; Y336-A340 WeakPolarHBondContact O-CB 3.39Å; Y336-A340 PolarHBondContact O-N 3.2Å; F337-A340 PolarHBondContact O-N 3.16Å; A340-A342 PolarHBondContact O-N 3.21Å; A340-K343 PolarHBondContact O-N 3.47Å; A340-K343 VanDerWaalsContact O-N 3.16Å; A340-V344 WeakPolarHBondContact O-CB 3.26Å; A340-V344 VanDerWaalsContact O-CG2 3.26Å; A340-V344 WeakPolarHBondContact O-CG2 3.36Å; A340-V344 PolarHBondContact O-N 3.04Å
341	V	87.8	Confident	82.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-50.4	175.5	178.7	0	0	0	0	109.6	I306 F337 D338 K343 V344 Y345 L366 L370	I306-V341 HydrophobicContact CD1-CB 4.4Å; I306-V341 HydrophobicContact CD1-CG2 3.63Å; I306-V341 HydrophobicContact CG1-CG2 4.48Å; F337-V341 HydrophobicContact CD1-CG2 4.08Å; F337-V341 HydrophobicContact CE1-CG2 3.87Å; F337-V341 HydrophobicContact CZ-CG2 4.45Å; F337-V341 WeakPolarHBondContact O-CG2 3.37Å; F337-V341 PolarHBondContact O-N 2.84Å; D338-V341 PolarHBondContact O-N 3.21Å; V341-K343 VanDerWaalsContact C-N 3.28Å; V341-K343 PolarHBondContact O-N 2.94Å; V341-V344 PolarHBondContact O-N 3Å; V341-Y345 HydrophobicContact CG1-CD2 3.69Å; V341-Y345 HydrophobicContact CG1-CE2 3.88Å; V341-Y345 VanDerWaalsContact O-CD2 3.27Å; V341-Y345 WeakPolarHBondContact O-CD2 3.25Å; V341-Y345 PolarHBondContact O-N 3.12Å; V341-Y345 VanDerWaalsContact O-N 3.12Å; V341-L366 HydrophobicContact CG1-CB 4.01Å; V341-L366 HydrophobicContact CG2-CD1 4.46Å; V341-L370 HydrophobicContact CB-CD1 3.93Å; V341-L370 HydrophobicContact CB-CD2 4.28Å; V341-L370 HydrophobicContact CB-CG 4.3Å; V341-L370 HydrophobicContact CG1-CD1 3.43Å; V341-L370 VanDerWaalsContact CG1-CD1 3.43Å; V341-L370 HydrophobicContact CG1-CD2 4.41Å; V341-L370 HydrophobicContact CG1-CG 3.88Å
342	A	86.2	Confident	81.1	Confident	10 Å²	10	64 Å²	64	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-39.1	178.6	0	0	0	0	0	112.6	D338 E339 A340 D346 L370 Y375 I382	D338-A342 PolarHBondContact O-N 3.32Å; D338-A342 VanDerWaalsContact O-N 3.1Å; E339-A342 PolarHBondContact O-N 3.22Å; A340-A342 PolarHBondContact O-N 3.21Å; A342-D346 PolarHBondContact O-N 2.92Å; A342-L370 HydrophobicContact CB-CD1 4.23Å; A342-Y375 HydrophobicContact CB-CD1 4.31Å; A342-Y375 HydrophobicContact CB-CG 4.27Å; A342-I382 HydrophobicContact CB-CD1 4.43Å; A342-I382 VanDerWaalsContact O-CD1 3.27Å; A342-I382 WeakPolarHBondContact O-CD1 3.4Å
343	K	86.2	Confident	80.5	Confident	64 Å²	64	64.1 Å²	64.1	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-78.1	-28.7	-179.5	-76.1	-179.3	174.2	174.6	0	114.4	L299 E339 A340 V341 R349	L299-K343 HydrophobicContact CD1-CD 4.3Å; L299-K343 HydrophobicContact CD2-CD 3.78Å; L299-K343 VanDerWaalsContact CD2-NZ 3.28Å; E339-K343 HydrophobicContact CG-CD 4.11Å; E339-K343 WeakPolarHBondContact O-CB 3.24Å; E339-K343 WeakPolarHBondContact O-CG 3.07Å; E339-K343 PolarHBondContact O-N 3.31Å; E339-K343 VanDerWaalsContact OE1-CE 3.32Å; E339-K343 WeakPolarHBondContact OE1-CE 3.41Å; E339-K343 IonicContact OE1-NZ 3.15Å; E339-K343 PolarHBondContact OE1-NZ 3.49Å; A340-K343 PolarHBondContact O-N 3.47Å; A340-K343 VanDerWaalsContact O-N 3.16Å; V341-K343 VanDerWaalsContact C-N 3.28Å; V341-K343 PolarHBondContact O-N 2.94Å; K343-R349 WeakPolarHBondContact O-CB 3.37Å; K343-R349 WeakPolarHBondContact O-CD 3.38Å
344	V	85.9	Confident	79.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-76.2	-43.2	178.7	170.3	0	0	0	0	110.6	K303 I306 L307 A340 V341 D346 F350 I354	K303-V344 HydrophobicContact CB-CG2 4.15Å; K303-V344 HydrophobicContact CG-CG2 3.83Å; I306-V344 HydrophobicContact CG2-CG1 4.35Å; L307-V344 HydrophobicContact CD2-CG1 4.24Å; A340-V344 WeakPolarHBondContact O-CB 3.26Å; A340-V344 VanDerWaalsContact O-CG2 3.26Å; A340-V344 WeakPolarHBondContact O-CG2 3.36Å; A340-V344 PolarHBondContact O-N 3.04Å; V341-V344 PolarHBondContact O-N 3Å; V344-D346 VanDerWaalsContact C-N 3.32Å; V344-D346 PolarHBondContact O-N 3.36Å; V344-F350 WeakPolarHBondContact O-CA 3.4Å; V344-F350 PolarHBondContact O-N 3.3Å; V344-I354 HydrophobicContact CG1-CD1 3.95Å
345	Y	85.5	Confident	79.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-85.1	-1.5	-178	-67.3	-77.5	0	0	0	114.2	V341 F350 D363 L366 L367 I382 H386	V341-Y345 HydrophobicContact CG1-CD2 3.69Å; V341-Y345 HydrophobicContact CG1-CE2 3.88Å; V341-Y345 VanDerWaalsContact O-CD2 3.27Å; V341-Y345 WeakPolarHBondContact O-CD2 3.25Å; V341-Y345 PolarHBondContact O-N 3.12Å; V341-Y345 VanDerWaalsContact O-N 3.12Å; Y345-F350 AromaticContact CD1-CD2 3.7Å; Y345-F350 HydrophobicContact CD1-CD2 3.7Å; Y345-F350 AromaticContact CD1-CE2 3.69Å; Y345-F350 HydrophobicContact CD1-CE2 3.69Å; Y345-F350 HydrophobicContact CE1-CD2 4.28Å; Y345-F350 AromaticContact CE1-CE2 3.9Å; Y345-F350 HydrophobicContact CE1-CE2 3.9Å; Y345-D363 HydrophobicContact CE1-CB 3.62Å; Y345-D363 WeakPolarHBondContact CE1-OD1 3.38Å; Y345-D363 PolarHBondContact OH-OD1 3.4Å; Y345-L366 HydrophobicContact CE2-CD1 4.31Å; Y345-L367 HydrophobicContact CD2-CD2 4.25Å; Y345-L367 HydrophobicContact CG-CD2 4.06Å; Y345-L367 HydrophobicContact CG-CG 4.39Å; Y345-I382 VanDerWaalsContact O-CG2 3.3Å; Y345-I382 WeakPolarHBondContact O-CG2 3.43Å; Y345-H386 PolarHBondContact O-NE2 3.3Å
346	D	85.1	Confident	78.9	Confident	72 Å²	72	53.4 Å²	53.4	39%	0.385	26%	0.264	S	S	.	.	S	Bend	trans	-64.6	140.1	170.9	-175	21.5	0	0	0	111.5	A342 V344 K348 R349 F350	A342-D346 PolarHBondContact O-N 2.92Å; V344-D346 VanDerWaalsContact C-N 3.32Å; V344-D346 PolarHBondContact O-N 3.36Å; D346-K348 PolarHBondContact O-N 3.27Å; D346-R349 CarbonylContact O-C 3.59Å; D346-R349 PolarHBondContact O-N 3.17Å; D346-F350 WeakPolarHBondContact O-CB 3.48Å; D346-F350 PolarHBondContact O-N 3.04Å
347	R	72	Confident	78.4	Confident	133 Å²	133	53.5 Å²	53.5	50%	0.502	27%	0.271	S	S	.	.	H	α-helix	trans	-49.5	-55.8	-164.7	-174	-168.1	-177	-160.9	-1	114	R349 L351 V385 E389	R347-R349 PolarHBondContact O-N 3.2Å; R347-L351 PolarHBondContact O-N 3.46Å; R347-V385 HydrophobicContact CB-CG1 3.97Å; R347-V385 HydrophobicContact CG-CG1 3.92Å; R347-E389 IonicContact CZ-OE1 2.61Å; R347-E389 VanDerWaalsContact CZ-OE1 3.3Å; R347-E389 IonicContact NE-OE1 2.61Å; R347-E389 PolarHBondContact NE-OE1 3.25Å; R347-E389 IonicContact NH2-OE1 3.5Å; R347-E389 PolarHBondContact NH2-OE1 2.94Å; R347-E389 VanDerWaalsContact NH2-OE1 3.09Å
348	K	72.1	Confident	78	Confident	183 Å²	183	57.8 Å²	57.8	80%	0.796	30%	0.299	S	S	*	.	H	α-helix	trans	-62.7	-34.1	-175.3	-69.7	-175.4	179.9	180	0	111.1	D346 S352	D346-K348 PolarHBondContact O-N 3.27Å; K348-S352 PolarHBondContact O-OG 2.78Å
349	R	74.2	Confident	77.8	Confident	103 Å²	103	57.8 Å²	57.8	39%	0.389	30%	0.299	S	S	.	.	H	α-helix	trans	-87.3	-36.2	-175.8	-69.1	-179.7	176	166.2	4	112.6	K343 D346 R347 L351 S352 L353	K343-R349 WeakPolarHBondContact O-CB 3.37Å; K343-R349 WeakPolarHBondContact O-CD 3.38Å; D346-R349 CarbonylContact O-C 3.59Å; D346-R349 PolarHBondContact O-N 3.17Å; R347-R349 PolarHBondContact O-N 3.2Å; R349-L351 VanDerWaalsContact C-N 3.35Å; R349-L351 PolarHBondContact O-N 3.41Å; R349-S352 WeakPolarHBondContact CA-OG 3.46Å; R349-S352 PolarHBondContact O-N 3.24Å; R349-S352 PolarHBondContact O-OG 3.17Å; R349-L353 HydrophobicContact CB-CD1 4.21Å; R349-L353 VanDerWaalsContact O-CB 3.26Å; R349-L353 WeakPolarHBondContact O-CB 3.48Å; R349-L353 VanDerWaalsContact O-CG 3.26Å; R349-L353 WeakPolarHBondContact O-CG 3.34Å; R349-L353 PolarHBondContact O-N 3.01Å
350	F	77.5	Confident	77.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-48.5	176.1	-176.4	-92.8	0	0	0	110.7	V344 Y345 D346 S352 L353 I354 G355 L359 H386	V344-F350 WeakPolarHBondContact O-CA 3.4Å; V344-F350 PolarHBondContact O-N 3.3Å; Y345-F350 AromaticContact CD1-CD2 3.7Å; Y345-F350 HydrophobicContact CD1-CD2 3.7Å; Y345-F350 AromaticContact CD1-CE2 3.69Å; Y345-F350 HydrophobicContact CD1-CE2 3.69Å; Y345-F350 HydrophobicContact CE1-CD2 4.28Å; Y345-F350 AromaticContact CE1-CE2 3.9Å; Y345-F350 HydrophobicContact CE1-CE2 3.9Å; D346-F350 WeakPolarHBondContact O-CB 3.48Å; D346-F350 PolarHBondContact O-N 3.04Å; F350-S352 VanDerWaalsContact C-N 3.33Å; F350-S352 PolarHBondContact O-N 2.99Å; F350-L353 PolarHBondContact O-N 3.33Å; F350-I354 HydrophobicContact CD2-CB 4.42Å; F350-I354 HydrophobicContact CD2-CD1 3.54Å; F350-I354 HydrophobicContact CD2-CG1 4.49Å; F350-I354 HydrophobicContact CE1-CG2 4.47Å; F350-I354 HydrophobicContact CE2-CB 4.24Å; F350-I354 HydrophobicContact CE2-CD1 3.44Å; F350-I354 VanDerWaalsContact CE2-CD1 3.44Å; F350-I354 HydrophobicContact CE2-CG1 4.42Å; F350-I354 HydrophobicContact CE2-CG2 4.15Å; F350-I354 HydrophobicContact CZ-CB 4.37Å; F350-I354 HydrophobicContact CZ-CD1 4.34Å; F350-I354 HydrophobicContact CZ-CG2 3.97Å; F350-I354 WeakPolarHBondContact O-CB 3.26Å; F350-I354 PolarHBondContact O-N 2.99Å; F350-G355 PolarHBondContact O-N 2.83Å; F350-L359 HydrophobicContact CZ-CD1 4.12Å; F350-L359 HydrophobicContact CZ-CG 4.3Å; F350-H386 AromaticContact CD1-CE1 3.84Å; F350-H386 AromaticContact CG-CE1 3.79Å
351	L	70.2	Confident	77.6	Confident	73 Å²	73	59.4 Å²	59.4	38%	0.382	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-37.4	176.8	-81.7	155.4	0	0	0	112.9	R347 R349 G355	R347-L351 PolarHBondContact O-N 3.46Å; R349-L351 VanDerWaalsContact C-N 3.35Å; R349-L351 PolarHBondContact O-N 3.41Å; L351-G355 VanDerWaalsContact O-CA 3.3Å; L351-G355 WeakPolarHBondContact O-CA 3.18Å; L351-G355 PolarHBondContact O-N 2.99Å
352	S	66.3	Low	77.5	Confident	91 Å²	91	59.6 Å²	59.6	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-77.5	-34.5	179.3	62.1	0	0	0	0	113.7	K348 R349 F350	K348-S352 PolarHBondContact O-OG 2.78Å; R349-S352 WeakPolarHBondContact CA-OG 3.46Å; R349-S352 PolarHBondContact O-N 3.24Å; R349-S352 PolarHBondContact O-OG 3.17Å; F350-S352 VanDerWaalsContact C-N 3.33Å; F350-S352 PolarHBondContact O-N 2.99Å
353	L	70.4	Confident	77.7	Confident	84 Å²	84	59.1 Å²	59.1	44%	0.44	30%	0.304	S	S	.	.	H	α-helix	trans	-89.8	-41.2	-173.6	-68.7	169.4	0	0	0	112.4	L307 R349 F350	L307-L353 HydrophobicContact CD1-CD2 4.34Å; L307-L353 HydrophobicContact CD2-CB 4.41Å; R349-L353 HydrophobicContact CB-CD1 4.21Å; R349-L353 VanDerWaalsContact O-CB 3.26Å; R349-L353 WeakPolarHBondContact O-CB 3.48Å; R349-L353 VanDerWaalsContact O-CG 3.26Å; R349-L353 WeakPolarHBondContact O-CG 3.34Å; R349-L353 PolarHBondContact O-N 3.01Å; F350-L353 PolarHBondContact O-N 3.33Å
354	I	67.9	Low	77.8	Confident	26 Å²	26	56.2 Å²	56.2	13%	0.133	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-23.8	-171.6	-66.4	167.2	0	0	0	111.2	L307 R310 V344 F350 V357	L307-I354 HydrophobicContact CD2-CD1 4.06Å; L307-I354 HydrophobicContact CD2-CG1 3.66Å; R310-I354 VanDerWaalsContact NH1-CG2 3.29Å; V344-I354 HydrophobicContact CG1-CD1 3.95Å; F350-I354 HydrophobicContact CD2-CB 4.42Å; F350-I354 HydrophobicContact CD2-CD1 3.54Å; F350-I354 HydrophobicContact CD2-CG1 4.49Å; F350-I354 HydrophobicContact CE1-CG2 4.47Å; F350-I354 HydrophobicContact CE2-CB 4.24Å; F350-I354 HydrophobicContact CE2-CD1 3.44Å; F350-I354 VanDerWaalsContact CE2-CD1 3.44Å; F350-I354 HydrophobicContact CE2-CG1 4.42Å; F350-I354 HydrophobicContact CE2-CG2 4.15Å; F350-I354 HydrophobicContact CZ-CB 4.37Å; F350-I354 HydrophobicContact CZ-CD1 4.34Å; F350-I354 HydrophobicContact CZ-CG2 3.97Å; F350-I354 WeakPolarHBondContact O-CB 3.26Å; F350-I354 PolarHBondContact O-N 2.99Å; I354-V357 HydrophobicContact CG2-CB 4.28Å
355	G	70.5	Confident	78	Confident	26 Å²	26	56.3 Å²	56.3	27%	0.268	29%	0.291	S	S	.	.			trans	79.7	-163	-175.8	0	0	0	0	0	112.7	F350 L351 V357	F350-G355 PolarHBondContact O-N 2.83Å; L351-G355 VanDerWaalsContact O-CA 3.3Å; L351-G355 WeakPolarHBondContact O-CA 3.18Å; L351-G355 PolarHBondContact O-N 2.99Å; G355-V357 PolarHBondContact O-N 3.47Å; G355-V357 VanDerWaalsContact O-N 3.14Å
356	N	71.3	Confident	78.1	Confident	141 Å²	141	56.3 Å²	56.3	75%	0.754	29%	0.291	S	S	*	.	S	Bend	trans	-90.1	51.4	-176.7	-160	27.6	0	0	0	112.1
357	V	72.4	Confident	78.3	Confident	66 Å²	66	52.9 Å²	52.9	40%	0.4	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-96.4	140.1	178.7	-177.1	0	0	0	0	108.9	I354 G355	I354-V357 HydrophobicContact CG2-CB 4.28Å; G355-V357 PolarHBondContact O-N 3.47Å; G355-V357 VanDerWaalsContact O-N 3.14Å
358	P	76.8	Confident	79.1	Confident	92 Å²	92	46.8 Å²	46.8	60%	0.597	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-61	150.9	175.8	25.7	-35	0	0	0	111.7	R310	R310-P358 PolarHBondContact NH2-O 2.85Å; R310-P358 VanDerWaalsContact NH2-O 3.13Å
359	L	82.7	Confident	79.9	Confident	9 Å²	9	38.1 Å²	38.1	5%	0.047	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-67.9	138.4	170.7	-81.5	90.9	0	0	0	109.4	F350 D363 L367 H386 R391 L396	F350-L359 HydrophobicContact CZ-CD1 4.12Å; F350-L359 HydrophobicContact CZ-CG 4.3Å; L359-D363 WeakPolarHBondContact CA-OD2 3.5Å; L359-D363 HydrophobicContact CB-CB 4.18Å; L359-D363 HydrophobicContact CD2-CB 3.93Å; L359-D363 HydrophobicContact CG-CB 4.14Å; L359-L367 HydrophobicContact CD2-CD1 3.96Å; L359-H386 HydrophobicContact CD1-CB 4.36Å; L359-R391 HydrophobicContact CD1-CB 3.41Å; L359-R391 VanDerWaalsContact CD1-CB 3.41Å; L359-R391 HydrophobicContact CD1-CG 4.17Å; L359-L396 HydrophobicContact CB-CD2 3.84Å
360	Q	84.8	Confident	80.6	Confident	75 Å²	75	33.2 Å²	33.2	35%	0.35	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-96.6	166.1	173.9	-64.5	174.5	-62	0	0	110.7	T315 F362 D363 L364	T315-Q360 HydrophobicContact CG2-CB 4.39Å; Q360-F362 PolarHBondContact O-N 3.32Å; Q360-D363 PolarHBondContact N-OD2 3.06Å; Q360-D363 WeakPolarHBondContact O-CB 3.25Å; Q360-D363 PolarHBondContact O-N 3Å; Q360-L364 PolarHBondContact O-N 2.98Å
361	A	84.8	Confident	81.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.9	-36.2	177.7	0	0	0	0	0	112.6	T315 F319 Y365 L396 E399 I400	T315-A361 HydrophobicContact CG2-CB 4.1Å; F319-A361 HydrophobicContact CE2-CB 3.92Å; F319-A361 HydrophobicContact CZ-CB 4.41Å; A361-Y365 WeakPolarHBondContact O-CB 3.2Å; A361-Y365 PolarHBondContact O-N 3.04Å; A361-L396 HydrophobicContact CB-CD1 4.35Å; A361-L396 VanDerWaalsContact N-CD1 3.3Å; A361-E399 HydrophobicContact CB-CG 4.11Å; A361-I400 HydrophobicContact CB-CD1 4.36Å; A361-I400 HydrophobicContact CB-CG1 3.58Å
362	F	85.9	Confident	81.8	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-56	-49.8	171.5	171.1	-101.4	0	0	0	113.1	L309 R310 F318 F327 Q360 L364 Y365 L366	L309-F362 HydrophobicContact CB-CZ 4.45Å; R310-F362 HydrophobicContact CB-CD1 4.46Å; R310-F362 HydrophobicContact CB-CE1 4.04Å; R310-F362 HydrophobicContact CG-CD1 4.32Å; R310-F362 HydrophobicContact CG-CE1 4.34Å; F318-F362 HydrophobicContact CD1-CD2 4.38Å; F318-F362 AromaticContact CD2-CD2 3.45Å; F318-F362 HydrophobicContact CD2-CD2 3.45Å; F318-F362 VanDerWaalsContact CD2-CD2 3.45Å; F318-F362 AromaticContact CD2-CE2 3.72Å; F318-F362 HydrophobicContact CD2-CE2 3.72Å; F318-F362 HydrophobicContact CE1-CD2 4.36Å; F318-F362 AromaticContact CE2-CD2 3.37Å; F318-F362 HydrophobicContact CE2-CD2 3.37Å; F318-F362 AromaticContact CE2-CE2 3.4Å; F318-F362 HydrophobicContact CE2-CE2 3.4Å; F318-F362 VanDerWaalsContact CE2-CE2 3.4Å; F318-F362 AromaticContact CG-CD2 3.96Å; F318-F362 HydrophobicContact CG-CD2 3.96Å; F318-F362 AromaticContact CZ-CD2 3.88Å; F318-F362 HydrophobicContact CZ-CD2 3.88Å; F318-F362 HydrophobicContact CZ-CE2 4.15Å; F327-F362 AromaticContact CE1-CE2 3.88Å; F327-F362 HydrophobicContact CE1-CE2 3.88Å; F327-F362 HydrophobicContact CE1-CZ 4.24Å; F327-F362 HydrophobicContact CZ-CE2 4.02Å; Q360-F362 PolarHBondContact O-N 3.32Å; F362-L364 PolarHBondContact O-N 2.95Å; F362-Y365 PolarHBondContact O-N 3.24Å; F362-L366 HydrophobicContact CD1-CD1 4.38Å; F362-L366 HydrophobicContact CE1-CD1 3.69Å; F362-L366 HydrophobicContact CE2-CD1 4.07Å; F362-L366 HydrophobicContact CE2-CG 4.37Å; F362-L366 HydrophobicContact CZ-CD1 3.53Å; F362-L366 HydrophobicContact CZ-CG 4.3Å; F362-L366 PolarHBondContact O-N 2.91Å; F362-L366 VanDerWaalsContact O-N 3.08Å
363	D	88.7	Confident	82.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-46.8	-177.1	-63.6	-44.4	0	0	0	111	R310 Y345 L359 Q360 L366 L367	R310-D363 WeakPolarHBondContact CD-OD1 3.41Å; R310-D363 IonicContact CZ-OD1 2.78Å; R310-D363 IonicContact CZ-OD2 3.94Å; R310-D363 VanDerWaalsContact NE-CG 3.35Å; R310-D363 IonicContact NE-OD1 3.36Å; R310-D363 PolarHBondContact NE-OD1 3.02Å; R310-D363 IonicContact NE-OD2 3.65Å; R310-D363 PolarHBondContact NE-OD2 3Å; R310-D363 VanDerWaalsContact NE-OD2 3.08Å; R310-D363 IonicContact NH2-OD1 3.68Å; R310-D363 IonicContact NH2-OD2 3.04Å; R310-D363 PolarHBondContact NH2-OD2 2.91Å; Y345-D363 HydrophobicContact CE1-CB 3.62Å; Y345-D363 WeakPolarHBondContact CE1-OD1 3.38Å; Y345-D363 PolarHBondContact OH-OD1 3.4Å; L359-D363 WeakPolarHBondContact CA-OD2 3.5Å; L359-D363 HydrophobicContact CB-CB 4.18Å; L359-D363 HydrophobicContact CD2-CB 3.93Å; L359-D363 HydrophobicContact CG-CB 4.14Å; Q360-D363 PolarHBondContact N-OD2 3.06Å; Q360-D363 WeakPolarHBondContact O-CB 3.25Å; Q360-D363 PolarHBondContact O-N 3Å; D363-L366 PolarHBondContact O-N 3.26Å; D363-L367 WeakPolarHBondContact O-CG 3.47Å; D363-L367 PolarHBondContact O-N 3.22Å; D363-L367 VanDerWaalsContact O-N 3.14Å
364	L	88.3	Confident	83.5	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-71.7	-33.6	-179.1	176.5	56.9	0	0	0	111.2	Q360 F362 L367 L368 V392 L396 I400	Q360-L364 PolarHBondContact O-N 2.98Å; F362-L364 PolarHBondContact O-N 2.95Å; L364-L367 PolarHBondContact O-N 3.3Å; L364-L368 HydrophobicContact CD1-CG 4.24Å; L364-L368 VanDerWaalsContact O-CG 3.27Å; L364-L368 WeakPolarHBondContact O-CG 3.39Å; L364-L368 PolarHBondContact O-N 3.14Å; L364-V392 HydrophobicContact CD2-CG1 3.92Å; L364-L396 HydrophobicContact CB-CD2 4.34Å; L364-L396 HydrophobicContact CD2-CD2 3.97Å; L364-L396 HydrophobicContact CD2-CG 4.07Å; L364-I400 HydrophobicContact CB-CD1 3.39Å; L364-I400 HydrophobicContact CD2-CD1 3.31Å; L364-I400 HydrophobicContact CG-CD1 3.33Å
365	Y	89.8	Confident	84.4	Confident	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-43.5	172.6	-176.4	-105.1	0	0	0	112.6	F318 F319 P324 A361 F362 L367 L368 L369 L407 L410	F318-Y365 AromaticContact CE1-CD1 3.46Å; F318-Y365 HydrophobicContact CE1-CD1 3.46Å; F318-Y365 VanDerWaalsContact CE1-CD1 3.46Å; F318-Y365 AromaticContact CE1-CE1 3.84Å; F318-Y365 HydrophobicContact CE1-CE1 3.84Å; F318-Y365 HydrophobicContact CE1-CG 4.19Å; F318-Y365 AromaticContact CZ-CD1 3.59Å; F318-Y365 HydrophobicContact CZ-CD1 3.59Å; F318-Y365 AromaticContact CZ-CE1 3.89Å; F318-Y365 HydrophobicContact CZ-CE1 3.89Å; F319-Y365 HydrophobicContact CE1-CD1 4.46Å; F319-Y365 HydrophobicContact CE1-CD2 4.11Å; F319-Y365 HydrophobicContact CE1-CG 4.08Å; F319-Y365 HydrophobicContact CZ-CG 4.29Å; P324-Y365 HydrophobicContact CB-CE1 4.28Å; A361-Y365 WeakPolarHBondContact O-CB 3.2Å; A361-Y365 PolarHBondContact O-N 3.04Å; F362-Y365 PolarHBondContact O-N 3.24Å; Y365-L367 VanDerWaalsContact C-N 3.34Å; Y365-L367 PolarHBondContact O-N 3.38Å; Y365-L368 PolarHBondContact O-N 3.48Å; Y365-L369 HydrophobicContact CD1-CD1 3.84Å; Y365-L369 HydrophobicContact CD1-CG 4.29Å; Y365-L369 HydrophobicContact CE1-CD1 3.42Å; Y365-L369 VanDerWaalsContact CE1-CD1 3.42Å; Y365-L369 HydrophobicContact CE1-CD2 4.43Å; Y365-L369 HydrophobicContact CE1-CG 3.94Å; Y365-L369 WeakPolarHBondContact O-CG 3.19Å; Y365-L369 PolarHBondContact O-N 3.42Å; Y365-L407 HydrophobicContact CD2-CD2 4.11Å; Y365-L407 HydrophobicContact CE2-CD2 4.3Å; Y365-L410 HydrophobicContact CE2-CD1 4.12Å
366	L	88.4	Confident	85.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-41.6	174.2	-69.7	-178.4	0	0	0	112.3	F327 V331 V341 Y345 F362 D363 L368 L369 L370	F327-L366 HydrophobicContact CD1-CD2 3.91Å; V331-L366 HydrophobicContact CG2-CD2 4.11Å; V341-L366 HydrophobicContact CG1-CB 4.01Å; V341-L366 HydrophobicContact CG2-CD1 4.46Å; Y345-L366 HydrophobicContact CE2-CD1 4.31Å; F362-L366 HydrophobicContact CD1-CD1 4.38Å; F362-L366 HydrophobicContact CE1-CD1 3.69Å; F362-L366 HydrophobicContact CE2-CD1 4.07Å; F362-L366 HydrophobicContact CE2-CG 4.37Å; F362-L366 HydrophobicContact CZ-CD1 3.53Å; F362-L366 HydrophobicContact CZ-CG 4.3Å; F362-L366 PolarHBondContact O-N 2.91Å; F362-L366 VanDerWaalsContact O-N 3.08Å; D363-L366 PolarHBondContact O-N 3.26Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-L368 PolarHBondContact O-N 3.39Å; L366-L369 HydrophobicContact CD2-CD1 4.43Å; L366-L369 PolarHBondContact O-N 3.4Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L370 VanDerWaalsContact O-N 3.1Å
367	L	88.7	Confident	85.9	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-36.7	175.4	-71.5	174	0	0	0	112.4	Y345 L359 D363 L364 Y365 L370 I382 I383	Y345-L367 HydrophobicContact CD2-CD2 4.25Å; Y345-L367 HydrophobicContact CG-CD2 4.06Å; Y345-L367 HydrophobicContact CG-CG 4.39Å; L359-L367 HydrophobicContact CD2-CD1 3.96Å; D363-L367 WeakPolarHBondContact O-CG 3.47Å; D363-L367 PolarHBondContact O-N 3.22Å; D363-L367 VanDerWaalsContact O-N 3.14Å; L364-L367 PolarHBondContact O-N 3.3Å; Y365-L367 VanDerWaalsContact C-N 3.34Å; Y365-L367 PolarHBondContact O-N 3.38Å; L367-L370 HydrophobicContact CD2-CD1 4.43Å; L367-L370 PolarHBondContact O-N 3Å; L367-I382 HydrophobicContact CD1-CG2 4.4Å; L367-I382 HydrophobicContact CD2-CB 4.5Å; L367-I382 HydrophobicContact CD2-CG2 3.7Å; L367-I383 HydrophobicContact CB-CD1 4.12Å; L367-I383 HydrophobicContact CB-CG1 3.94Å; L367-I383 HydrophobicContact CD1-CG1 4.22Å
368	L	88.6	Confident	86.6	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-69.6	-40.4	175	-69	-179.5	0	0	0	111.9	L364 Y365 L366 L370 L371 I383 L407 L410 L414	L364-L368 HydrophobicContact CD1-CG 4.24Å; L364-L368 VanDerWaalsContact O-CG 3.27Å; L364-L368 WeakPolarHBondContact O-CG 3.39Å; L364-L368 PolarHBondContact O-N 3.14Å; Y365-L368 PolarHBondContact O-N 3.48Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-L368 PolarHBondContact O-N 3.39Å; L368-L370 VanDerWaalsContact C-N 3.25Å; L368-L370 PolarHBondContact O-N 2.76Å; L368-L371 HydrophobicContact CD2-CD1 3.88Å; L368-L371 VanDerWaalsContact O-CB 3.24Å; L368-L371 WeakPolarHBondContact O-CB 3.37Å; L368-L371 WeakPolarHBondContact O-CG 3.35Å; L368-L371 PolarHBondContact O-N 3.3Å; L368-L371 VanDerWaalsContact O-N 3.08Å; L368-I383 HydrophobicContact CD2-CD1 4.44Å; L368-L407 HydrophobicContact CD1-CD2 4.13Å; L368-L410 HydrophobicContact CB-CD1 4.17Å; L368-L414 HydrophobicContact CD2-CD1 3.77Å
369	L	89.3	Confident	87.1	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-36.2	173.8	-76.1	175.3	0	0	0	112.2	E328 V331 Y365 L366 L371 K372 L410	E328-L369 HydrophobicContact CB-CD1 4.43Å; E328-L369 HydrophobicContact CB-CD2 3.86Å; E328-L369 HydrophobicContact CG-CD2 3.83Å; V331-L369 HydrophobicContact CB-CB 4.37Å; V331-L369 HydrophobicContact CG1-CB 3.96Å; V331-L369 HydrophobicContact CG2-CB 4.49Å; V331-L369 HydrophobicContact CG2-CD1 4.19Å; Y365-L369 HydrophobicContact CD1-CD1 3.84Å; Y365-L369 HydrophobicContact CD1-CG 4.29Å; Y365-L369 HydrophobicContact CE1-CD1 3.42Å; Y365-L369 VanDerWaalsContact CE1-CD1 3.42Å; Y365-L369 HydrophobicContact CE1-CD2 4.43Å; Y365-L369 HydrophobicContact CE1-CG 3.94Å; Y365-L369 WeakPolarHBondContact O-CG 3.19Å; Y365-L369 PolarHBondContact O-N 3.42Å; L366-L369 HydrophobicContact CD2-CD1 4.43Å; L366-L369 PolarHBondContact O-N 3.4Å; L369-L371 PolarHBondContact O-N 2.99Å; L369-K372 PolarHBondContact O-N 2.96Å; L369-K372 VanDerWaalsContact O-N 3.16Å; L369-L410 HydrophobicContact CD2-CD1 4.01Å; L369-L410 HydrophobicContact CD2-CD2 4.12Å; L369-L410 HydrophobicContact CD2-CG 4.46Å; L369-L410 HydrophobicContact CG-CD1 4.42Å
370	L	89	Confident	87.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62	-21.6	176.6	-75.7	-177.9	0	0	0	113.7	V331 D338 V341 A342 L366 L367 L368 K372 T373 A379	V331-L370 HydrophobicContact CG1-CD2 3.92Å; D338-L370 HydrophobicContact CB-CD2 3.98Å; D338-L370 WeakPolarHBondContact O-CD2 3.47Å; V341-L370 HydrophobicContact CB-CD1 3.93Å; V341-L370 HydrophobicContact CB-CD2 4.28Å; V341-L370 HydrophobicContact CB-CG 4.3Å; V341-L370 HydrophobicContact CG1-CD1 3.43Å; V341-L370 VanDerWaalsContact CG1-CD1 3.43Å; V341-L370 HydrophobicContact CG1-CD2 4.41Å; V341-L370 HydrophobicContact CG1-CG 3.88Å; A342-L370 HydrophobicContact CB-CD1 4.23Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L370 VanDerWaalsContact O-N 3.1Å; L367-L370 HydrophobicContact CD2-CD1 4.43Å; L367-L370 PolarHBondContact O-N 3Å; L368-L370 VanDerWaalsContact C-N 3.25Å; L368-L370 PolarHBondContact O-N 2.76Å; L370-K372 PolarHBondContact O-N 2.89Å; L370-T373 HydrophobicContact CD2-CG2 4.28Å; L370-T373 PolarHBondContact O-N 3.46Å; L370-T373 PolarHBondContact O-OG1 3.35Å; L370-A379 HydrophobicContact CB-CB 3.62Å; L370-A379 HydrophobicContact CD1-CB 4.36Å
371	L	88.4	Confident	87.6	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.037	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-60.3	-25.4	176.3	-63.3	174.6	0	0	0	112.2	L368 L369 Q376 A379 R380 I383 D413 F417	L368-L371 HydrophobicContact CD2-CD1 3.88Å; L368-L371 VanDerWaalsContact O-CB 3.24Å; L368-L371 WeakPolarHBondContact O-CB 3.37Å; L368-L371 WeakPolarHBondContact O-CG 3.35Å; L368-L371 PolarHBondContact O-N 3.3Å; L368-L371 VanDerWaalsContact O-N 3.08Å; L369-L371 PolarHBondContact O-N 2.99Å; L371-Q376 WeakPolarHBondContact O-CB 3.3Å; L371-A379 HydrophobicContact CD2-CB 4.09Å; L371-R380 HydrophobicContact CD2-CG 3.79Å; L371-I383 HydrophobicContact CD2-CD1 4.31Å; L371-D413 HydrophobicContact CB-CB 4.32Å; L371-F417 HydrophobicContact CD1-CB 4.39Å; L371-F417 HydrophobicContact CD1-CD1 4.16Å; L371-F417 HydrophobicContact CD1-CG 4.45Å; L371-F417 HydrophobicContact CD2-CG 4.38Å
372	K	85	Confident	87.7	Confident	71 Å²	71	38.1 Å²	38.1	31%	0.309	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-91.1	4.9	176.6	-75.2	-170.9	168.2	-172.4	0	115	L369 L370 S409 L410 D413	L369-K372 PolarHBondContact O-N 2.96Å; L369-K372 VanDerWaalsContact O-N 3.16Å; L370-K372 PolarHBondContact O-N 2.89Å; K372-S409 WeakPolarHBondContact CE-O 3.39Å; K372-S409 PolarHBondContact NZ-O 3.5Å; K372-L410 HydrophobicContact CD-CD2 3.75Å; K372-L410 HydrophobicContact CG-CD2 4.05Å; K372-D413 WeakPolarHBondContact CE-OD2 3.42Å; K372-D413 VanDerWaalsContact CG-OD2 3.29Å; K372-D413 WeakPolarHBondContact CG-OD2 3.45Å
373	T	87.5	Confident	87.8	Confident	14 Å²	14	38 Å²	38	9%	0.086	17%	0.168	C	C	.	.	S	Bend	trans	-108.2	174.8	-175.5	71.6	0	0	0	0	111.7	V331 D338 L370 Y375 Q376	V331-T373 HydrophobicContact CG1-CG2 3.73Å; D338-T373 HydrophobicContact CB-CG2 4.41Å; L370-T373 HydrophobicContact CD2-CG2 4.28Å; L370-T373 PolarHBondContact O-N 3.46Å; L370-T373 PolarHBondContact O-OG1 3.35Å; T373-Y375 PolarHBondContact O-N 3.27Å; T373-Y375 VanDerWaalsContact O-N 3.07Å; T373-Y375 PolarHBondContact OG1-N 3.32Å; T373-Q376 WeakPolarHBondContact O-CB 3.38Å; T373-Q376 PolarHBondContact O-N 3.26Å; T373-Q376 VanDerWaalsContact O-N 3.08Å
374	R	85.5	Confident	87.8	Confident	154 Å²	154	41.3 Å²	41.3	58%	0.581	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.2	170.9	63.3	-175.2	170.1	164	4.8	113.8	R335 D338	R335-R374 PolarHBondContact O-NH2 2.93Å; D338-R374 IonicContact OD1-CZ 3.97Å; D338-R374 IonicContact OD1-NE 3.04Å; D338-R374 IonicContact OD1-NH2 3.31Å; D338-R374 PolarHBondContact OD1-NH2 2.89Å; D338-R374 IonicContact OD2-CZ 3.9Å; D338-R374 IonicContact OD2-NE 3.95Å; D338-R374 PolarHBondContact OD2-NE 3.21Å; D338-R374 IonicContact OD2-NH2 2.73Å; D338-R374 PolarHBondContact OD2-NH2 2.94Å
375	Y	85.8	Confident	87.7	Confident	49 Å²	49	42.5 Å²	42.5	19%	0.192	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	15.4	177.4	-66	-75.4	0	0	0	113.9	D338 E339 A342 T373 R377 S378 A379	D338-Y375 HydrophobicContact CB-CD2 3.9Å; D338-Y375 HydrophobicContact CB-CE2 4.2Å; D338-Y375 VanDerWaalsContact CG-CE2 3.47Å; D338-Y375 WeakPolarHBondContact OD2-CD2 3.36Å; D338-Y375 VanDerWaalsContact OD2-CE2 3.26Å; D338-Y375 WeakPolarHBondContact OD2-CE2 3.22Å; E339-Y375 HydrophobicContact CB-CE2 3.74Å; E339-Y375 WeakPolarHBondContact CB-OH 3.4Å; E339-Y375 HydrophobicContact CG-CE1 4.47Å; E339-Y375 HydrophobicContact CG-CE2 4.38Å; E339-Y375 VanDerWaalsContact CG-OH 3.26Å; E339-Y375 WeakPolarHBondContact CG-OH 3.19Å; E339-Y375 PolarHBondContact OE2-OH 2.94Å; A342-Y375 HydrophobicContact CB-CD1 4.31Å; A342-Y375 HydrophobicContact CB-CG 4.27Å; T373-Y375 PolarHBondContact O-N 3.27Å; T373-Y375 VanDerWaalsContact O-N 3.07Å; T373-Y375 PolarHBondContact OG1-N 3.32Å; Y375-R377 VanDerWaalsContact C-N 3.27Å; Y375-R377 PolarHBondContact O-N 3.16Å; Y375-R377 VanDerWaalsContact O-N 3.15Å; Y375-S378 CarbonylContact O-C 3.47Å; Y375-S378 WeakPolarHBondContact O-CA 3.3Å; Y375-S378 WeakPolarHBondContact O-CB 3.43Å; Y375-S378 PolarHBondContact O-N 3.25Å; Y375-A379 PolarHBondContact O-N 3.45Å
376	Q	86.9	Confident	87.5	Confident	80 Å²	80	42.5 Å²	42.5	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-48	-44.4	179	56.1	169	-36.8	0	0	113.9	L371 T373 S378 A379 R380	L371-Q376 WeakPolarHBondContact O-CB 3.3Å; T373-Q376 WeakPolarHBondContact O-CB 3.38Å; T373-Q376 PolarHBondContact O-N 3.26Å; T373-Q376 VanDerWaalsContact O-N 3.08Å; Q376-S378 PolarHBondContact O-N 3.45Å; Q376-A379 PolarHBondContact O-N 3.32Å; Q376-R380 VanDerWaalsContact O-CG 3.24Å; Q376-R380 WeakPolarHBondContact O-CG 3.46Å; Q376-R380 PolarHBondContact O-N 3.47Å
377	R	87.6	Confident	87.4	Confident	213 Å²	213	42.7 Å²	42.7	80%	0.804	19%	0.188	S	C	*	.	H	α-helix	trans	-64.2	-42.2	179.8	-68.9	-177.8	-178.1	169.6	0.1	111.6	Y375 L381	Y375-R377 VanDerWaalsContact C-N 3.27Å; Y375-R377 PolarHBondContact O-N 3.16Å; Y375-R377 VanDerWaalsContact O-N 3.15Å; R377-L381 PolarHBondContact O-N 2.98Å; R377-L381 VanDerWaalsContact O-N 3.08Å
378	S	86.6	Confident	87.1	Confident	51 Å²	51	47 Å²	47	36%	0.357	21%	0.205	S	C	.	.	H	α-helix	trans	-65.6	-43.9	175.6	-56.2	0	0	0	0	110.9	Y375 Q376 R380 L381 I382	Y375-S378 CarbonylContact O-C 3.47Å; Y375-S378 WeakPolarHBondContact O-CA 3.3Å; Y375-S378 WeakPolarHBondContact O-CB 3.43Å; Y375-S378 PolarHBondContact O-N 3.25Å; Q376-S378 PolarHBondContact O-N 3.45Å; S378-R380 PolarHBondContact O-N 3.48Å; S378-L381 PolarHBondContact O-N 3.41Å; S378-I382 WeakPolarHBondContact O-CB 3.24Å; S378-I382 WeakPolarHBondContact O-CD1 3.31Å; S378-I382 WeakPolarHBondContact O-CG1 3.48Å; S378-I382 PolarHBondContact O-N 3.3Å
379	A	87.4	Confident	86.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-47.3	176.9	0	0	0	0	0	111.9	L370 L371 Y375 Q376 L381 I382 I383	L370-A379 HydrophobicContact CB-CB 3.62Å; L370-A379 HydrophobicContact CD1-CB 4.36Å; L371-A379 HydrophobicContact CD2-CB 4.09Å; Y375-A379 PolarHBondContact O-N 3.45Å; Q376-A379 PolarHBondContact O-N 3.32Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 3.31Å; A379-I382 PolarHBondContact O-N 3.42Å; A379-I383 VanDerWaalsContact O-CG1 3.29Å; A379-I383 WeakPolarHBondContact O-CG1 3.36Å; A379-I383 PolarHBondContact O-N 2.86Å
380	R	88.7	Confident	86.2	Confident	34 Å²	34	52.3 Å²	52.3	13%	0.128	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-43.8	175	-68.5	-178.1	-173	-168.6	2.4	111.5	L371 Q376 S378 R384 E416 F417 E420	L371-R380 HydrophobicContact CD2-CG 3.79Å; Q376-R380 VanDerWaalsContact O-CG 3.24Å; Q376-R380 WeakPolarHBondContact O-CG 3.46Å; Q376-R380 PolarHBondContact O-N 3.47Å; S378-R380 PolarHBondContact O-N 3.48Å; R380-R384 WeakPolarHBondContact O-CB 3.4Å; R380-R384 VanDerWaalsContact O-CG 3.26Å; R380-R384 WeakPolarHBondContact O-CG 3.28Å; R380-R384 PolarHBondContact O-N 2.95Å; R380-R384 VanDerWaalsContact O-N 3.15Å; R380-E416 IonicContact CZ-OE1 3.17Å; R380-E416 IonicContact NH1-OE1 2.75Å; R380-E416 IonicContact NH2-OE1 2.7Å; R380-E416 PolarHBondContact NH2-OE1 3.14Å; R380-E416 IonicContact NH2-OE2 3.94Å; R380-F417 HydrophobicContact CB-CD2 4Å; R380-F417 HydrophobicContact CB-CE2 3.67Å; R380-F417 HydrophobicContact CG-CD2 3.52Å; R380-F417 HydrophobicContact CG-CE2 3.72Å; R380-F417 HydrophobicContact CG-CG 4.38Å; R380-E420 IonicContact CZ-OE1 3.66Å; R380-E420 IonicContact CZ-OE2 3.13Å; R380-E420 IonicContact NH1-OE1 3.39Å; R380-E420 PolarHBondContact NH1-OE1 3.18Å; R380-E420 IonicContact NH1-OE2 2.92Å; R380-E420 PolarHBondContact NH1-OE2 3Å
381	L	88.3	Confident	85.7	Confident	104 Å²	104	54 Å²	54	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-66.1	-46.8	177.2	-177.6	63.9	0	0	0	112.1	R377 S378 A379 R384 V385	R377-L381 PolarHBondContact O-N 2.98Å; R377-L381 VanDerWaalsContact O-N 3.08Å; S378-L381 PolarHBondContact O-N 3.41Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 3.31Å; L381-R384 PolarHBondContact O-N 2.85Å; L381-V385 WeakPolarHBondContact O-CG2 3.32Å; L381-V385 PolarHBondContact O-N 3.09Å
382	I	87.4	Confident	85.3	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.046	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-48.2	-179	-71	163.7	0	0	0	110.6	A342 Y345 L367 S378 A379 R384 V385 H386	A342-I382 HydrophobicContact CB-CD1 4.43Å; A342-I382 VanDerWaalsContact O-CD1 3.27Å; A342-I382 WeakPolarHBondContact O-CD1 3.4Å; Y345-I382 VanDerWaalsContact O-CG2 3.3Å; Y345-I382 WeakPolarHBondContact O-CG2 3.43Å; L367-I382 HydrophobicContact CD1-CG2 4.4Å; L367-I382 HydrophobicContact CD2-CB 4.5Å; L367-I382 HydrophobicContact CD2-CG2 3.7Å; S378-I382 WeakPolarHBondContact O-CB 3.24Å; S378-I382 WeakPolarHBondContact O-CD1 3.31Å; S378-I382 WeakPolarHBondContact O-CG1 3.48Å; S378-I382 PolarHBondContact O-N 3.3Å; A379-I382 PolarHBondContact O-N 3.42Å; I382-R384 PolarHBondContact O-N 2.8Å; I382-V385 PolarHBondContact O-N 2.99Å; I382-V385 VanDerWaalsContact O-N 3.16Å; I382-H386 PolarHBondContact O-CD2 2.97Å; I382-H386 PolarHBondContact O-N 3.21Å
383	I	88.1	Confident	85	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-45.5	177.9	-64	163.7	0	0	0	110.2	L367 L368 L371 A379 V385 H386 V387 F417 F432	L367-I383 HydrophobicContact CB-CD1 4.12Å; L367-I383 HydrophobicContact CB-CG1 3.94Å; L367-I383 HydrophobicContact CD1-CG1 4.22Å; L368-I383 HydrophobicContact CD2-CD1 4.44Å; L371-I383 HydrophobicContact CD2-CD1 4.31Å; A379-I383 VanDerWaalsContact O-CG1 3.29Å; A379-I383 WeakPolarHBondContact O-CG1 3.36Å; A379-I383 PolarHBondContact O-N 2.86Å; I383-V385 VanDerWaalsContact C-N 3.27Å; I383-V385 PolarHBondContact O-N 3.25Å; I383-H386 PolarHBondContact O-N 2.99Å; I383-V387 HydrophobicContact CG2-CG2 4.07Å; I383-V387 WeakPolarHBondContact O-CB 3.25Å; I383-V387 VanDerWaalsContact O-CG2 3.24Å; I383-V387 WeakPolarHBondContact O-CG2 3.4Å; I383-V387 PolarHBondContact O-N 3.37Å; I383-F417 HydrophobicContact CB-CE1 4.08Å; I383-F417 HydrophobicContact CB-CZ 3.7Å; I383-F417 HydrophobicContact CD1-CE1 3.81Å; I383-F417 HydrophobicContact CD1-CZ 4.03Å; I383-F417 HydrophobicContact CG1-CZ 4.49Å; I383-F417 HydrophobicContact CG2-CE1 3.67Å; I383-F417 HydrophobicContact CG2-CZ 3.63Å; I383-F432 HydrophobicContact CG2-CZ 4.38Å
384	R	87.9	Confident	84.3	Confident	69 Å²	69	57.4 Å²	57.4	26%	0.26	28%	0.279	S	S	.	.	H	α-helix	trans	-56.7	-40.3	175.9	-74.8	177.2	-169.4	-173.4	6.7	112.1	R380 L381 I382 R388 F417 E420 I421 L429	R380-R384 WeakPolarHBondContact O-CB 3.4Å; R380-R384 VanDerWaalsContact O-CG 3.26Å; R380-R384 WeakPolarHBondContact O-CG 3.28Å; R380-R384 PolarHBondContact O-N 2.95Å; R380-R384 VanDerWaalsContact O-N 3.15Å; L381-R384 PolarHBondContact O-N 2.85Å; I382-R384 PolarHBondContact O-N 2.8Å; R384-R388 WeakPolarHBondContact O-CB 3.38Å; R384-R388 WeakPolarHBondContact O-CD 3.44Å; R384-R388 WeakPolarHBondContact O-CG 3.46Å; R384-R388 PolarHBondContact O-N 2.92Å; R384-F417 HydrophobicContact CG-CE2 4.5Å; R384-E420 IonicContact NH2-OE2 2.93Å; R384-E420 PolarHBondContact NH2-OE2 3.41Å; R384-I421 HydrophobicContact CG-CG1 4.25Å; R384-L429 HydrophobicContact CB-CD2 4.21Å; R384-L429 HydrophobicContact CG-CD2 4.17Å
385	V	87.4	Confident	84	Confident	28 Å²	28	58.4 Å²	58.4	17%	0.17	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-46.7	177.7	173.4	0	0	0	0	111.7	R347 L381 I382 I383 V387 R388 E389	R347-V385 HydrophobicContact CB-CG1 3.97Å; R347-V385 HydrophobicContact CG-CG1 3.92Å; L381-V385 WeakPolarHBondContact O-CG2 3.32Å; L381-V385 PolarHBondContact O-N 3.09Å; I382-V385 PolarHBondContact O-N 2.99Å; I382-V385 VanDerWaalsContact O-N 3.16Å; I383-V385 VanDerWaalsContact C-N 3.27Å; I383-V385 PolarHBondContact O-N 3.25Å; V385-V387 VanDerWaalsContact C-N 3.34Å; V385-V387 PolarHBondContact O-N 3.43Å; V385-R388 WeakPolarHBondContact O-CB 3.4Å; V385-R388 PolarHBondContact O-N 3.21Å; V385-E389 WeakPolarHBondContact O-CG 3.44Å; V385-E389 PolarHBondContact O-N 3.21Å
386	H	86.1	Confident	84	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-34.4	179.2	-73.6	-65.2	0	0	0	113.1	Y345 F350 L359 I382 I383 G390 R391 V392	Y345-H386 PolarHBondContact O-NE2 3.3Å; F350-H386 AromaticContact CD1-CE1 3.84Å; F350-H386 AromaticContact CG-CE1 3.79Å; L359-H386 HydrophobicContact CD1-CB 4.36Å; I382-H386 PolarHBondContact O-CD2 2.97Å; I382-H386 PolarHBondContact O-N 3.21Å; I383-H386 PolarHBondContact O-N 2.99Å; H386-G390 PolarHBondContact O-N 3.44Å; H386-R391 PolarHBondContact CE1-NH1 3.49Å; H386-R391 PolarHBondContact ND1-NH1 2.78Å; H386-R391 PolarHBondContact O-N 2.85Å; H386-V392 HydrophobicContact CB-CG2 4.12Å
387	V	84.5	Confident	83.8	Confident	4 Å²	4	53 Å²	53	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-45.1	173.2	173.5	0	0	0	0	110.9	I383 V385 E389 G390 V392 L429 F432	I383-V387 HydrophobicContact CG2-CG2 4.07Å; I383-V387 WeakPolarHBondContact O-CB 3.25Å; I383-V387 VanDerWaalsContact O-CG2 3.24Å; I383-V387 WeakPolarHBondContact O-CG2 3.4Å; I383-V387 PolarHBondContact O-N 3.37Å; V385-V387 VanDerWaalsContact C-N 3.34Å; V385-V387 PolarHBondContact O-N 3.43Å; V387-E389 VanDerWaalsContact C-N 3.29Å; V387-E389 PolarHBondContact O-N 3.11Å; V387-G390 PolarHBondContact O-N 3.21Å; V387-V392 HydrophobicContact CG2-CB 3.99Å; V387-V392 HydrophobicContact CG2-CG1 4.37Å; V387-V392 HydrophobicContact CG2-CG2 4.21Å; V387-L429 HydrophobicContact CB-CD2 3.99Å; V387-L429 HydrophobicContact CG1-CD2 3.75Å; V387-F432 HydrophobicContact CB-CG 4.42Å; V387-F432 HydrophobicContact CG1-CB 3.42Å; V387-F432 VanDerWaalsContact CG1-CB 3.42Å; V387-F432 HydrophobicContact CG1-CD1 4.34Å; V387-F432 HydrophobicContact CG1-CD2 4.34Å; V387-F432 HydrophobicContact CG1-CG 3.78Å; V387-F432 HydrophobicContact CG2-CB 4.27Å; V387-F432 HydrophobicContact CG2-CD1 3.94Å; V387-F432 HydrophobicContact CG2-CD2 3.69Å; V387-F432 HydrophobicContact CG2-CE1 4.22Å; V387-F432 HydrophobicContact CG2-CE2 4.02Å; V387-F432 HydrophobicContact CG2-CG 3.67Å; V387-F432 HydrophobicContact CG2-CZ 4.26Å
388	R	83.4	Confident	83.4	Confident	92 Å²	92	46.3 Å²	46.3	35%	0.347	25%	0.253	S	S	.	.	H	α-helix	trans	-58	-41.9	176.3	-78.7	169.8	-178.1	143	-7	112.8	R384 V385 G390 E426 N428 L429	R384-R388 WeakPolarHBondContact O-CB 3.38Å; R384-R388 WeakPolarHBondContact O-CD 3.44Å; R384-R388 WeakPolarHBondContact O-CG 3.46Å; R384-R388 PolarHBondContact O-N 2.92Å; V385-R388 WeakPolarHBondContact O-CB 3.4Å; V385-R388 PolarHBondContact O-N 3.21Å; R388-G390 PolarHBondContact O-N 2.99Å; R388-E426 WeakPolarHBondContact CD-OE2 3.26Å; R388-E426 WeakPolarHBondContact CG-OE2 3.3Å; R388-E426 IonicContact CZ-OE1 3.74Å; R388-E426 IonicContact CZ-OE2 3.18Å; R388-E426 VanDerWaalsContact NE-CD 3.31Å; R388-E426 IonicContact NE-OE1 3.27Å; R388-E426 PolarHBondContact NE-OE1 3.08Å; R388-E426 IonicContact NE-OE2 2.7Å; R388-E426 PolarHBondContact NE-OE2 3.5Å; R388-E426 IonicContact NH2-OE1 3.97Å; R388-E426 PolarHBondContact NH2-OE1 3.43Å; R388-E426 IonicContact NH2-OE2 3.87Å; R388-N428 PolarHBondContact O-ND2 3.05Å; R388-N428 VanDerWaalsContact O-ND2 3.08Å; R388-L429 HydrophobicContact CG-CD2 4.34Å; R388-L429 HydrophobicContact CG-CG 4.33Å
389	E	81.1	Confident	83.2	Confident	66 Å²	66	47.2 Å²	47.2	31%	0.308	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.5	177.9	-67.3	-175	154.5	0	0	112.9	R347 V385 V387 R391	R347-E389 IonicContact CZ-OE1 2.61Å; R347-E389 VanDerWaalsContact CZ-OE1 3.3Å; R347-E389 IonicContact NE-OE1 2.61Å; R347-E389 PolarHBondContact NE-OE1 3.25Å; R347-E389 IonicContact NH2-OE1 3.5Å; R347-E389 PolarHBondContact NH2-OE1 2.94Å; R347-E389 VanDerWaalsContact NH2-OE1 3.09Å; V385-E389 WeakPolarHBondContact O-CG 3.44Å; V385-E389 PolarHBondContact O-N 3.21Å; V387-E389 VanDerWaalsContact C-N 3.29Å; V387-E389 PolarHBondContact O-N 3.11Å; E389-R391 VanDerWaalsContact C-N 3.27Å; E389-R391 HydrophobicContact CB-CG 4.41Å; E389-R391 PolarHBondContact O-N 3.12Å; E389-R391 IonicContact OE2-CZ 3.19Å; E389-R391 IonicContact OE2-NE 2.78Å; E389-R391 IonicContact OE2-NH1 3.6Å; E389-R391 PolarHBondContact OE2-NH1 3.01Å; E389-R391 IonicContact OE2-NH2 3.43Å; E389-R391 PolarHBondContact OE2-NH2 3.32Å
390	G	77.3	Confident	83.1	Confident	51 Å²	51	47.4 Å²	47.4	53%	0.526	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	14	177.3	0	0	0	0	0	114.3	H386 V387 R388 V392	H386-G390 PolarHBondContact O-N 3.44Å; V387-G390 PolarHBondContact O-N 3.21Å; R388-G390 PolarHBondContact O-N 2.99Å; G390-V392 VanDerWaalsContact C-N 3.3Å
391	R	79.1	Confident	82.8	Confident	36 Å²	36	46.7 Å²	46.7	14%	0.136	25%	0.25	C	C	.	.			trans	-74.5	-22.4	178.3	-60.8	-164.3	-175.7	104.6	14.4	112.9	L359 H386 E389	L359-R391 HydrophobicContact CD1-CB 3.41Å; L359-R391 VanDerWaalsContact CD1-CB 3.41Å; L359-R391 HydrophobicContact CD1-CG 4.17Å; H386-R391 PolarHBondContact CE1-NH1 3.49Å; H386-R391 PolarHBondContact ND1-NH1 2.78Å; H386-R391 PolarHBondContact O-N 2.85Å; E389-R391 VanDerWaalsContact C-N 3.27Å; E389-R391 HydrophobicContact CB-CG 4.41Å; E389-R391 PolarHBondContact O-N 3.12Å; E389-R391 IonicContact OE2-CZ 3.19Å; E389-R391 IonicContact OE2-NE 2.78Å; E389-R391 IonicContact OE2-NH1 3.6Å; E389-R391 PolarHBondContact OE2-NH1 3.01Å; E389-R391 IonicContact OE2-NH2 3.43Å; E389-R391 PolarHBondContact OE2-NH2 3.32Å
392	V	81	Confident	82.5	Confident	12 Å²	12	51.4 Å²	51.4	7%	0.073	26%	0.261	C	S	.	.	S	Bend	trans	-102.5	89.8	176.5	-176.7	0	0	0	0	108.6	L364 H386 V387 G390 L396 I397 F432	L364-V392 HydrophobicContact CD2-CG1 3.92Å; H386-V392 HydrophobicContact CB-CG2 4.12Å; V387-V392 HydrophobicContact CG2-CB 3.99Å; V387-V392 HydrophobicContact CG2-CG1 4.37Å; V387-V392 HydrophobicContact CG2-CG2 4.21Å; G390-V392 VanDerWaalsContact C-N 3.3Å; V392-L396 HydrophobicContact CG1-CD2 4.26Å; V392-L396 HydrophobicContact CG2-CD2 4.46Å; V392-I397 HydrophobicContact CG1-CG1 4.44Å; V392-F432 HydrophobicContact CG1-CD2 3.71Å; V392-F432 HydrophobicContact CG1-CE2 3.49Å; V392-F432 VanDerWaalsContact CG1-CE2 3.49Å
393	G	76.9	Confident	82.1	Confident	34 Å²	34	53.3 Å²	53.3	35%	0.351	27%	0.267	S	S	.	.			trans	-91.4	170	178.4	0	0	0	0	0	113.3	Q395 L396 I397	G393-Q395 PolarHBondContact O-N 2.86Å; G393-L396 PolarHBondContact O-N 3.33Å; G393-L396 VanDerWaalsContact O-N 3.13Å; G393-I397 WeakPolarHBondContact O-CG1 3.24Å; G393-I397 PolarHBondContact O-N 3.49Å
394	L	74.4	Confident	81.7	Confident	118 Å²	118	57.4 Å²	57.4	62%	0.618	29%	0.287	S	S	*	.	H	α-helix	trans	-55.9	-34.1	178.1	-175.4	65.3	0	0	0	113	I397 S398 A435	L394-I397 WeakPolarHBondContact O-CB 3.3Å; L394-I397 PolarHBondContact O-N 3.5Å; L394-S398 PolarHBondContact O-N 3.34Å; L394-S398 PolarHBondContact O-OG 3.39Å; L394-S398 VanDerWaalsContact O-OG 3.12Å; L394-A435 HydrophobicContact CD1-CB 3.66Å
395	Q	79.4	Confident	81.2	Confident	174 Å²	174	61.6 Å²	61.6	81%	0.813	31%	0.309	S	S	*	.	H	α-helix	trans	-62.8	-43.5	178.3	-67.2	-179.5	-7.1	0	0	112.4	G393 I397 S398 E399	G393-Q395 PolarHBondContact O-N 2.86Å; Q395-I397 VanDerWaalsContact C-N 3.31Å; Q395-I397 PolarHBondContact O-N 2.82Å; Q395-S398 PolarHBondContact O-N 2.85Å; Q395-E399 WeakPolarHBondContact O-CB 3.14Å; Q395-E399 PolarHBondContact O-N 3.35Å
396	L	84.2	Confident	80.8	Confident	12 Å²	12	62.2 Å²	62.2	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-37.1	179.4	179.4	61.6	0	0	0	111.4	L359 A361 L364 V392 G393 E399 I400	L359-L396 HydrophobicContact CB-CD2 3.84Å; A361-L396 HydrophobicContact CB-CD1 4.35Å; A361-L396 VanDerWaalsContact N-CD1 3.3Å; L364-L396 HydrophobicContact CB-CD2 4.34Å; L364-L396 HydrophobicContact CD2-CD2 3.97Å; L364-L396 HydrophobicContact CD2-CG 4.07Å; V392-L396 HydrophobicContact CG1-CD2 4.26Å; V392-L396 HydrophobicContact CG2-CD2 4.46Å; G393-L396 PolarHBondContact O-N 3.33Å; G393-L396 VanDerWaalsContact O-N 3.13Å; L396-E399 PolarHBondContact O-N 2.88Å; L396-I400 HydrophobicContact CD1-CD1 4.34Å; L396-I400 HydrophobicContact CG-CD1 4.4Å; L396-I400 PolarHBondContact O-N 2.85Å; L396-I400 VanDerWaalsContact O-N 3.08Å
397	I	82.6	Confident	80.5	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-52.8	172.9	-62.2	-178	0	0	0	110	V392 G393 L394 Q395 E399 I400 F401 F432 A435 M436 A439	V392-I397 HydrophobicContact CG1-CG1 4.44Å; G393-I397 WeakPolarHBondContact O-CG1 3.24Å; G393-I397 PolarHBondContact O-N 3.49Å; L394-I397 WeakPolarHBondContact O-CB 3.3Å; L394-I397 PolarHBondContact O-N 3.5Å; Q395-I397 VanDerWaalsContact C-N 3.31Å; Q395-I397 PolarHBondContact O-N 2.82Å; I397-E399 VanDerWaalsContact C-N 3.25Å; I397-E399 PolarHBondContact O-N 3.12Å; I397-I400 PolarHBondContact O-N 3.11Å; I397-F401 HydrophobicContact CG2-CD2 4.09Å; I397-F401 HydrophobicContact CG2-CE2 4.38Å; I397-F401 WeakPolarHBondContact O-CD2 3.3Å; I397-F401 PolarHBondContact O-N 3.2Å; I397-F401 VanDerWaalsContact O-N 3.08Å; I397-F432 HydrophobicContact CD1-CD2 3.72Å; I397-F432 HydrophobicContact CD1-CE2 3.98Å; I397-F432 HydrophobicContact CG1-CD2 4.48Å; I397-F432 HydrophobicContact CG1-CE2 4.34Å; I397-A435 HydrophobicContact CD1-CB 3.66Å; I397-M436 HydrophobicContact CB-CE 3.61Å; I397-M436 HydrophobicContact CD1-CE 3.5Å; I397-M436 HydrophobicContact CG1-CE 3.27Å; I397-M436 HydrophobicContact CG2-CE 3.17Å; I397-A439 HydrophobicContact CG2-CB 4.19Å
398	S	80.3	Confident	80.1	Confident	73 Å²	73	65.8 Å²	65.8	51%	0.51	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-35.8	178.8	-59.6	0	0	0	0	112.5	L394 Q395 R402	L394-S398 PolarHBondContact O-N 3.34Å; L394-S398 PolarHBondContact O-OG 3.39Å; L394-S398 VanDerWaalsContact O-OG 3.12Å; Q395-S398 PolarHBondContact O-N 2.85Å; S398-R402 PolarHBondContact O-N 3.46Å
399	E	82.2	Confident	79.9	Confident	69 Å²	69	63.7 Å²	63.7	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-64.9	-45.5	177	-168.5	-178.1	173.2	0	0	112.1	A361 Q395 L396 I397 R402 Y403	A361-E399 HydrophobicContact CB-CG 4.11Å; Q395-E399 WeakPolarHBondContact O-CB 3.14Å; Q395-E399 PolarHBondContact O-N 3.35Å; L396-E399 PolarHBondContact O-N 2.88Å; I397-E399 VanDerWaalsContact C-N 3.25Å; I397-E399 PolarHBondContact O-N 3.12Å; E399-R402 WeakPolarHBondContact O-CB 3.34Å; E399-R402 PolarHBondContact O-N 3.36Å; E399-Y403 VanDerWaalsContact O-CD2 3.3Å; E399-Y403 WeakPolarHBondContact O-CD2 3.44Å
400	I	84.2	Confident	79.9	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-41.9	-179.6	-74.4	171.6	0	0	0	112.1	A361 L364 L396 I397 R402 Y403 L407	A361-I400 HydrophobicContact CB-CD1 4.36Å; A361-I400 HydrophobicContact CB-CG1 3.58Å; L364-I400 HydrophobicContact CB-CD1 3.39Å; L364-I400 HydrophobicContact CD2-CD1 3.31Å; L364-I400 HydrophobicContact CG-CD1 3.33Å; L396-I400 HydrophobicContact CD1-CD1 4.34Å; L396-I400 HydrophobicContact CG-CD1 4.4Å; L396-I400 PolarHBondContact O-N 2.85Å; L396-I400 VanDerWaalsContact O-N 3.08Å; I397-I400 PolarHBondContact O-N 3.11Å; I400-R402 PolarHBondContact O-N 3.38Å; I400-Y403 PolarHBondContact O-N 2.87Å; I400-L407 HydrophobicContact CG2-CD1 3.64Å; I400-L407 HydrophobicContact CG2-CD2 3.91Å; I400-L407 HydrophobicContact CG2-CG 4.29Å
401	F	83.3	Confident	80.1	Confident	19 Å²	19	59.2 Å²	59.2	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-13.9	178.1	-84	-92.3	0	0	0	113.4	I397 Y403 Q404 L407 L414 M436 A439 I440 M443	I397-F401 HydrophobicContact CG2-CD2 4.09Å; I397-F401 HydrophobicContact CG2-CE2 4.38Å; I397-F401 WeakPolarHBondContact O-CD2 3.3Å; I397-F401 PolarHBondContact O-N 3.2Å; I397-F401 VanDerWaalsContact O-N 3.08Å; F401-Y403 PolarHBondContact O-N 3.46Å; F401-Q404 WeakPolarHBondContact O-CB 3.45Å; F401-Q404 PolarHBondContact O-N 3.31Å; F401-L407 HydrophobicContact CD1-CD1 4.03Å; F401-L407 HydrophobicContact CD2-CD1 4.29Å; F401-L407 HydrophobicContact CE1-CD1 4.13Å; F401-L407 HydrophobicContact CE2-CD1 4.38Å; F401-L407 HydrophobicContact CG-CD1 4.12Å; F401-L407 HydrophobicContact CZ-CD1 4.31Å; F401-L414 HydrophobicContact CZ-CD2 4.14Å; F401-M436 HydrophobicContact CD2-CE 4.31Å; F401-M436 HydrophobicContact CE2-CE 3.63Å; F401-M436 HydrophobicContact CE2-SD 3.74Å; F401-M436 HydrophobicContact CZ-SD 4.24Å; F401-A439 HydrophobicContact CB-CB 4.22Å; F401-A439 HydrophobicContact CD1-CB 3.71Å; F401-A439 HydrophobicContact CD2-CB 3.62Å; F401-A439 HydrophobicContact CE1-CB 3.9Å; F401-A439 HydrophobicContact CE2-CB 3.82Å; F401-A439 HydrophobicContact CG-CB 3.55Å; F401-A439 HydrophobicContact CZ-CB 3.96Å; F401-I440 HydrophobicContact CE1-CB 4.4Å; F401-I440 HydrophobicContact CE1-CG1 3.71Å; F401-I440 HydrophobicContact CZ-CD1 4.5Å; F401-I440 HydrophobicContact CZ-CG1 3.59Å; F401-M443 HydrophobicContact CD1-CB 4.36Å; F401-M443 HydrophobicContact CD1-SD 4.11Å; F401-M443 HydrophobicContact CE1-SD 4.06Å
402	R	81.5	Confident	80	Confident	204 Å²	204	61.6 Å²	61.6	77%	0.77	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.8	166.9	-163.1	178.2	-177.4	172	-0.7	112	S398 E399 I400	S398-R402 PolarHBondContact O-N 3.46Å; E399-R402 WeakPolarHBondContact O-CB 3.34Å; E399-R402 PolarHBondContact O-N 3.36Å; I400-R402 PolarHBondContact O-N 3.38Å
403	Y	80.4	Confident	80	Confident	49 Å²	49	63.1 Å²	63.1	19%	0.192	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	40.3	178.3	-52.5	-76.6	0	0	0	111.9	F319 E399 I400 F401 E405 Y406	F319-Y403 HydrophobicContact CB-CD1 3.42Å; F319-Y403 VanDerWaalsContact CB-CD1 3.42Å; F319-Y403 HydrophobicContact CB-CD2 4.32Å; F319-Y403 HydrophobicContact CB-CE1 3.63Å; F319-Y403 HydrophobicContact CB-CG 3.79Å; F319-Y403 HydrophobicContact CD1-CD2 4.39Å; F319-Y403 HydrophobicContact CD1-CG 4.06Å; F319-Y403 HydrophobicContact CD2-CD1 4.19Å; F319-Y403 AromaticContact CD2-CD2 3.52Å; F319-Y403 HydrophobicContact CD2-CD2 3.52Å; F319-Y403 HydrophobicContact CD2-CE1 4.22Å; F319-Y403 AromaticContact CD2-CE2 3.56Å; F319-Y403 HydrophobicContact CD2-CE2 3.56Å; F319-Y403 AromaticContact CD2-CG 3.84Å; F319-Y403 HydrophobicContact CD2-CG 3.84Å; F319-Y403 AromaticContact CD2-CZ 3.91Å; F319-Y403 AromaticContact CE2-CD2 3.86Å; F319-Y403 HydrophobicContact CE2-CD2 3.86Å; F319-Y403 HydrophobicContact CE2-CE2 4.05Å; F319-Y403 HydrophobicContact CE2-CG 4.46Å; F319-Y403 AromaticContact CG-CD1 3.83Å; F319-Y403 HydrophobicContact CG-CD1 3.83Å; F319-Y403 AromaticContact CG-CD2 3.83Å; F319-Y403 HydrophobicContact CG-CD2 3.83Å; F319-Y403 HydrophobicContact CG-CE1 4.18Å; F319-Y403 HydrophobicContact CG-CE2 4.19Å; F319-Y403 AromaticContact CG-CG 3.63Å; F319-Y403 HydrophobicContact CG-CG 3.63Å; F319-Y403 HydrophobicContact CZ-CD2 4.42Å; E399-Y403 VanDerWaalsContact O-CD2 3.3Å; E399-Y403 WeakPolarHBondContact O-CD2 3.44Å; I400-Y403 PolarHBondContact O-N 2.87Å; F401-Y403 PolarHBondContact O-N 3.46Å; Y403-E405 PolarHBondContact O-N 3.49Å; Y403-Y406 PolarHBondContact O-N 2.96Å
404	Q	78.4	Confident	80.2	Confident	87 Å²	87	61.7 Å²	61.7	41%	0.407	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-51.3	-28.9	-175.4	53.6	-177.7	7.8	0	0	116	F401 Y406 L407 T408 M443	F401-Q404 WeakPolarHBondContact O-CB 3.45Å; F401-Q404 PolarHBondContact O-N 3.31Å; Q404-Y406 PolarHBondContact O-N 3.36Å; Q404-L407 PolarHBondContact O-N 3.01Å; Q404-T408 PolarHBondContact O-N 3.17Å; Q404-T408 PolarHBondContact O-OG1 3.2Å; Q404-M443 HydrophobicContact CB-CG 3.65Å; Q404-M443 HydrophobicContact CB-SD 3.56Å; Q404-M443 VanDerWaalsContact CB-SD 3.56Å; Q404-M443 HydrophobicContact CG-CG 4.46Å
405	E	78.5	Confident	80.2	Confident	156 Å²	156	58.3 Å²	58.3	73%	0.729	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-54.1	-40.4	180	-63.3	-178.7	177.8	0	0	111.7	Y403 T408	Y403-E405 PolarHBondContact O-N 3.49Å; E405-T408 PolarHBondContact O-OG1 2.87Å
406	Y	78	Confident	80.1	Confident	42 Å²	42	55 Å²	55	17%	0.165	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-83.4	-14.5	-178.6	-48.8	-73.4	0	0	0	114.1	F319 P324 Y403 Q404	F319-Y406 HydrophobicContact CB-CE2 4.01Å; F319-Y406 AromaticContact CD1-CD2 3.83Å; F319-Y406 HydrophobicContact CD1-CD2 3.83Å; F319-Y406 HydrophobicContact CD1-CE2 4.14Å; F319-Y406 PolarHBondContact O-OH 3.48Å; P324-Y406 HydrophobicContact CB-CD1 3.78Å; P324-Y406 HydrophobicContact CB-CE1 4.12Å; P324-Y406 HydrophobicContact CB-CG 4.16Å; P324-Y406 HydrophobicContact CG-CD1 3.81Å; P324-Y406 HydrophobicContact CG-CD2 4.4Å; P324-Y406 HydrophobicContact CG-CE1 3.7Å; P324-Y406 HydrophobicContact CG-CE2 4.3Å; P324-Y406 HydrophobicContact CG-CG 4.16Å; Y403-Y406 PolarHBondContact O-N 2.96Å; Q404-Y406 PolarHBondContact O-N 3.36Å
407	L	79.7	Confident	79.9	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-18.7	177.9	-61.5	175.8	0	0	0	112.4	Y365 L368 I400 F401 Q404 S409 L410 L411 M443	Y365-L407 HydrophobicContact CD2-CD2 4.11Å; Y365-L407 HydrophobicContact CE2-CD2 4.3Å; L368-L407 HydrophobicContact CD1-CD2 4.13Å; I400-L407 HydrophobicContact CG2-CD1 3.64Å; I400-L407 HydrophobicContact CG2-CD2 3.91Å; I400-L407 HydrophobicContact CG2-CG 4.29Å; F401-L407 HydrophobicContact CD1-CD1 4.03Å; F401-L407 HydrophobicContact CD2-CD1 4.29Å; F401-L407 HydrophobicContact CE1-CD1 4.13Å; F401-L407 HydrophobicContact CE2-CD1 4.38Å; F401-L407 HydrophobicContact CG-CD1 4.12Å; F401-L407 HydrophobicContact CZ-CD1 4.31Å; Q404-L407 PolarHBondContact O-N 3.01Å; L407-S409 PolarHBondContact O-N 3.33Å; L407-L410 HydrophobicContact CD2-CD1 4.48Å; L407-L410 WeakPolarHBondContact O-CA 3.37Å; L407-L410 PolarHBondContact O-N 2.92Å; L407-L411 PolarHBondContact O-N 3.48Å; L407-L411 VanDerWaalsContact O-N 3.13Å; L407-M443 HydrophobicContact CB-SD 4.27Å
408	T	76.8	Confident	79.6	Confident	77 Å²	77	54.2 Å²	54.2	47%	0.472	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.1	-36.9	-177.9	-53.8	0	0	0	0	111.8	Q404 E405 L410 L411	Q404-T408 PolarHBondContact O-N 3.17Å; Q404-T408 PolarHBondContact O-OG1 3.2Å; E405-T408 PolarHBondContact O-OG1 2.87Å; T408-L410 VanDerWaalsContact C-N 3.3Å; T408-L410 PolarHBondContact O-N 3.39Å; T408-L411 WeakPolarHBondContact O-CB 3.47Å
409	S	78.4	Confident	79	Confident	47 Å²	47	51.5 Å²	51.5	33%	0.329	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-65.6	-33.5	177	83.6	0	0	0	0	112	E328 K372 L407	E328-S409 PolarHBondContact OE2-OG 3.17Å; K372-S409 WeakPolarHBondContact CE-O 3.39Å; K372-S409 PolarHBondContact NZ-O 3.5Å; L407-S409 PolarHBondContact O-N 3.33Å
410	L	81.9	Confident	78.6	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-90.1	-6.7	-174.8	-65.3	164.4	0	0	0	113.9	Y365 L368 L369 K372 L407 T408 P412 D413 L414	Y365-L410 HydrophobicContact CE2-CD1 4.12Å; L368-L410 HydrophobicContact CB-CD1 4.17Å; L369-L410 HydrophobicContact CD2-CD1 4.01Å; L369-L410 HydrophobicContact CD2-CD2 4.12Å; L369-L410 HydrophobicContact CD2-CG 4.46Å; L369-L410 HydrophobicContact CG-CD1 4.42Å; K372-L410 HydrophobicContact CD-CD2 3.75Å; K372-L410 HydrophobicContact CG-CD2 4.05Å; L407-L410 HydrophobicContact CD2-CD1 4.48Å; L407-L410 WeakPolarHBondContact O-CA 3.37Å; L407-L410 PolarHBondContact O-N 2.92Å; T408-L410 VanDerWaalsContact C-N 3.3Å; T408-L410 PolarHBondContact O-N 3.39Å; L410-P412 VanDerWaalsContact C-CD 3.47Å; L410-D413 PolarHBondContact O-N 3.46Å; L410-L414 WeakPolarHBondContact O-CB 3.11Å; L410-L414 PolarHBondContact O-N 2.85Å
411	L	80.8	Confident	78.1	Confident	19 Å²	19	51.1 Å²	51.1	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-53.5	-43.4	-172	-178.8	63.1	0	0	0	114.6	L407 T408 L414 L415 I440 M443	L407-L411 PolarHBondContact O-N 3.48Å; L407-L411 VanDerWaalsContact O-N 3.13Å; T408-L411 WeakPolarHBondContact O-CB 3.47Å; L411-L414 PolarHBondContact O-N 2.75Å; L411-L415 HydrophobicContact CD1-CD1 4.05Å; L411-L415 HydrophobicContact CD1-CG 4.03Å; L411-L415 HydrophobicContact CG-CD1 4.03Å; L411-L415 HydrophobicContact CG-CG 4.44Å; L411-L415 WeakPolarHBondContact O-CB 3.21Å; L411-L415 VanDerWaalsContact O-CG 3.31Å; L411-L415 WeakPolarHBondContact O-CG 3.34Å; L411-L415 PolarHBondContact O-N 2.66Å; L411-I440 HydrophobicContact CD1-CB 4.5Å; L411-I440 HydrophobicContact CD1-CG1 4.29Å; L411-I440 HydrophobicContact CD1-CG2 3.48Å; L411-I440 VanDerWaalsContact CD1-CG2 3.48Å; L411-M443 HydrophobicContact CD1-CE 3.9Å; L411-M443 HydrophobicContact CD2-CE 4.15Å; L411-M443 HydrophobicContact CG-CE 4.42Å
412	P	76.8	Confident	77.3	Confident	87 Å²	87	51.4 Å²	51.4	57%	0.565	25%	0.254	S	S	*	.	H	α-helix	trans	-62.7	-49.6	-179.8	-22.3	34.5	0	0	0	113.2	L410 L414 L415 E416	L410-P412 VanDerWaalsContact C-CD 3.47Å; P412-L414 VanDerWaalsContact C-N 3.31Å; P412-L414 PolarHBondContact O-N 3.2Å; P412-L415 PolarHBondContact O-N 2.84Å; P412-E416 PolarHBondContact O-N 3.47Å; P412-E416 VanDerWaalsContact O-N 3.13Å
413	D	81.4	Confident	76.4	Confident	44 Å²	44	47.2 Å²	47.2	24%	0.235	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-34.3	-180	-52.3	-84.3	0	0	0	111.5	L371 K372 L410 F417	L371-D413 HydrophobicContact CB-CB 4.32Å; K372-D413 WeakPolarHBondContact CE-OD2 3.42Å; K372-D413 VanDerWaalsContact CG-OD2 3.29Å; K372-D413 WeakPolarHBondContact CG-OD2 3.45Å; L410-D413 PolarHBondContact O-N 3.46Å; D413-F417 WeakPolarHBondContact O-CB 2.79Å; D413-F417 PolarHBondContact O-N 3.27Å
414	L	81.5	Confident	75.7	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-45.3	174.3	-178.6	63.3	0	0	0	111	L368 F401 L410 L411 P412 E416 F417 V418 M436 I440	L368-L414 HydrophobicContact CD2-CD1 3.77Å; F401-L414 HydrophobicContact CZ-CD2 4.14Å; L410-L414 WeakPolarHBondContact O-CB 3.11Å; L410-L414 PolarHBondContact O-N 2.85Å; L411-L414 PolarHBondContact O-N 2.75Å; P412-L414 VanDerWaalsContact C-N 3.31Å; P412-L414 PolarHBondContact O-N 3.2Å; L414-E416 VanDerWaalsContact C-N 3.35Å; L414-E416 PolarHBondContact O-N 2.92Å; L414-F417 PolarHBondContact O-N 3.14Å; L414-V418 HydrophobicContact CD1-CG2 3.74Å; L414-V418 HydrophobicContact CG-CG2 4.06Å; L414-V418 WeakPolarHBondContact O-CB 3.33Å; L414-V418 WeakPolarHBondContact O-CG2 3.49Å; L414-V418 PolarHBondContact O-N 3.13Å; L414-M436 HydrophobicContact CD1-SD 4.38Å; L414-I440 HydrophobicContact CD2-CD1 3.74Å; L414-I440 HydrophobicContact CD2-CG1 4.08Å; L414-I440 HydrophobicContact CG-CD1 3.91Å
415	L	73.4	Confident	74.7	Confident	47 Å²	47	47.9 Å²	47.9	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-40.9	178.1	-78.6	170.9	0	0	0	112.3	L411 P412 G419 Y437 I440 L452	L411-L415 HydrophobicContact CD1-CD1 4.05Å; L411-L415 HydrophobicContact CD1-CG 4.03Å; L411-L415 HydrophobicContact CG-CD1 4.03Å; L411-L415 HydrophobicContact CG-CG 4.44Å; L411-L415 WeakPolarHBondContact O-CB 3.21Å; L411-L415 VanDerWaalsContact O-CG 3.31Å; L411-L415 WeakPolarHBondContact O-CG 3.34Å; L411-L415 PolarHBondContact O-N 2.66Å; P412-L415 PolarHBondContact O-N 2.84Å; L415-G419 PolarHBondContact O-N 2.94Å; L415-Y437 HydrophobicContact CD2-CD1 4.16Å; L415-Y437 HydrophobicContact CD2-CE1 3.72Å; L415-Y437 PolarHBondContact O-OH 3.43Å; L415-I440 HydrophobicContact CD2-CD1 4.07Å; L415-I440 HydrophobicContact CD2-CG2 3.97Å; L415-L452 HydrophobicContact CD2-CD2 4.26Å
416	E	77.1	Confident	74.2	Confident	103 Å²	103	43.8 Å²	43.8	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-50.6	174.4	-171.7	-171.7	141.2	0	0	110.7	R380 P412 L414 G419 E420	R380-E416 IonicContact CZ-OE1 3.17Å; R380-E416 IonicContact NH1-OE1 2.75Å; R380-E416 IonicContact NH2-OE1 2.7Å; R380-E416 PolarHBondContact NH2-OE1 3.14Å; R380-E416 IonicContact NH2-OE2 3.94Å; P412-E416 PolarHBondContact O-N 3.47Å; P412-E416 VanDerWaalsContact O-N 3.13Å; L414-E416 VanDerWaalsContact C-N 3.35Å; L414-E416 PolarHBondContact O-N 2.92Å; E416-G419 PolarHBondContact O-N 3.48Å; E416-E420 PolarHBondContact O-N 3.42Å; E416-E420 VanDerWaalsContact O-N 3.09Å
417	F	81.2	Confident	73.7	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-44.7	-178.7	173.2	-122.5	0	0	0	113.4	L371 R380 I383 R384 D413 L414 G419 E420 I421	L371-F417 HydrophobicContact CD1-CB 4.39Å; L371-F417 HydrophobicContact CD1-CD1 4.16Å; L371-F417 HydrophobicContact CD1-CG 4.45Å; L371-F417 HydrophobicContact CD2-CG 4.38Å; R380-F417 HydrophobicContact CB-CD2 4Å; R380-F417 HydrophobicContact CB-CE2 3.67Å; R380-F417 HydrophobicContact CG-CD2 3.52Å; R380-F417 HydrophobicContact CG-CE2 3.72Å; R380-F417 HydrophobicContact CG-CG 4.38Å; I383-F417 HydrophobicContact CB-CE1 4.08Å; I383-F417 HydrophobicContact CB-CZ 3.7Å; I383-F417 HydrophobicContact CD1-CE1 3.81Å; I383-F417 HydrophobicContact CD1-CZ 4.03Å; I383-F417 HydrophobicContact CG1-CZ 4.49Å; I383-F417 HydrophobicContact CG2-CE1 3.67Å; I383-F417 HydrophobicContact CG2-CZ 3.63Å; R384-F417 HydrophobicContact CG-CE2 4.5Å; D413-F417 WeakPolarHBondContact O-CB 2.79Å; D413-F417 PolarHBondContact O-N 3.27Å; L414-F417 PolarHBondContact O-N 3.14Å; F417-G419 PolarHBondContact O-N 3.14Å; F417-E420 PolarHBondContact O-N 2.83Å; F417-I421 HydrophobicContact CD1-CD1 3.81Å; F417-I421 HydrophobicContact CD2-CD1 3.95Å; F417-I421 HydrophobicContact CD2-CG1 4.16Å; F417-I421 HydrophobicContact CE1-CD1 3.26Å; F417-I421 HydrophobicContact CE1-CG1 4.41Å; F417-I421 HydrophobicContact CE2-CD1 3.43Å; F417-I421 VanDerWaalsContact CE2-CD1 3.43Å; F417-I421 HydrophobicContact CE2-CG1 3.76Å; F417-I421 HydrophobicContact CG-CD1 4.15Å; F417-I421 HydrophobicContact CZ-CD1 3.07Å; F417-I421 HydrophobicContact CZ-CG1 3.92Å; F417-I421 WeakPolarHBondContact O-CG1 3.43Å; F417-I421 PolarHBondContact O-N 2.86Å
418	V	76.4	Confident	73.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-34.6	178.6	-179.8	0	0	0	0	109.9	L414 I421 F422 A433 M436 Y437	L414-V418 HydrophobicContact CD1-CG2 3.74Å; L414-V418 HydrophobicContact CG-CG2 4.06Å; L414-V418 WeakPolarHBondContact O-CB 3.33Å; L414-V418 WeakPolarHBondContact O-CG2 3.49Å; L414-V418 PolarHBondContact O-N 3.13Å; V418-I421 PolarHBondContact O-N 3.4Å; V418-F422 WeakPolarHBondContact O-CB 3.4Å; V418-F422 PolarHBondContact O-N 3.04Å; V418-A433 HydrophobicContact CG1-CB 3.87Å; V418-A433 VanDerWaalsContact CG1-O 3.31Å; V418-A433 WeakPolarHBondContact CG1-O 3.29Å; V418-M436 HydrophobicContact CG1-CB 3.77Å; V418-M436 HydrophobicContact CG2-CB 3.77Å; V418-M436 HydrophobicContact CG2-CG 4.01Å; V418-Y437 HydrophobicContact CB-CD2 4.47Å; V418-Y437 HydrophobicContact CB-CE1 4.49Å; V418-Y437 HydrophobicContact CB-CE2 4.1Å; V418-Y437 HydrophobicContact CG1-CD1 4.23Å; V418-Y437 HydrophobicContact CG1-CD2 3.3Å; V418-Y437 HydrophobicContact CG1-CE1 4.18Å; V418-Y437 HydrophobicContact CG1-CE2 3.29Å; V418-Y437 HydrophobicContact CG1-CG 3.81Å
419	G	67.4	Low	73.3	Confident	15 Å²	15	46.6 Å²	46.6	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-48.9	172.7	0	0	0	0	0	112.7	L415 E416 F417 I421 F422 E423 Y437	L415-G419 PolarHBondContact O-N 2.94Å; E416-G419 PolarHBondContact O-N 3.48Å; F417-G419 PolarHBondContact O-N 3.14Å; G419-I421 VanDerWaalsContact C-N 3.31Å; G419-I421 PolarHBondContact O-N 2.99Å; G419-F422 PolarHBondContact O-N 3.27Å; G419-E423 PolarHBondContact O-N 3.44Å; G419-Y437 WeakPolarHBondContact CA-OH 3.47Å; G419-Y437 PolarHBondContact N-OH 2.86Å
420	E	72.6	Confident	72.7	Confident	66 Å²	66	46.3 Å²	46.3	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-37.7	176.1	-67.1	-176.9	168.5	0	0	113	R380 R384 E416 F417	R380-E420 IonicContact CZ-OE1 3.66Å; R380-E420 IonicContact CZ-OE2 3.13Å; R380-E420 IonicContact NH1-OE1 3.39Å; R380-E420 PolarHBondContact NH1-OE1 3.18Å; R380-E420 IonicContact NH1-OE2 2.92Å; R380-E420 PolarHBondContact NH1-OE2 3Å; R384-E420 IonicContact NH2-OE2 2.93Å; R384-E420 PolarHBondContact NH2-OE2 3.41Å; E416-E420 PolarHBondContact O-N 3.42Å; E416-E420 VanDerWaalsContact O-N 3.09Å; F417-E420 PolarHBondContact O-N 2.83Å
421	I	74.9	Confident	72.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-38.2	177.4	-65.6	167.7	0	0	0	110.8	R384 F417 V418 G419 E423 A424 L429 F432 A433	R384-I421 HydrophobicContact CG-CG1 4.25Å; F417-I421 HydrophobicContact CD1-CD1 3.81Å; F417-I421 HydrophobicContact CD2-CD1 3.95Å; F417-I421 HydrophobicContact CD2-CG1 4.16Å; F417-I421 HydrophobicContact CE1-CD1 3.26Å; F417-I421 HydrophobicContact CE1-CG1 4.41Å; F417-I421 HydrophobicContact CE2-CD1 3.43Å; F417-I421 VanDerWaalsContact CE2-CD1 3.43Å; F417-I421 HydrophobicContact CE2-CG1 3.76Å; F417-I421 HydrophobicContact CG-CD1 4.15Å; F417-I421 HydrophobicContact CZ-CD1 3.07Å; F417-I421 HydrophobicContact CZ-CG1 3.92Å; F417-I421 WeakPolarHBondContact O-CG1 3.43Å; F417-I421 PolarHBondContact O-N 2.86Å; V418-I421 PolarHBondContact O-N 3.4Å; G419-I421 VanDerWaalsContact C-N 3.31Å; G419-I421 PolarHBondContact O-N 2.99Å; I421-E423 PolarHBondContact O-N 3.1Å; I421-A424 WeakPolarHBondContact O-CB 3.38Å; I421-A424 PolarHBondContact O-N 3.38Å; I421-L429 HydrophobicContact CG2-CB 3.61Å; I421-L429 HydrophobicContact CG2-CD2 3.92Å; I421-L429 HydrophobicContact CG2-CG 4.22Å; I421-L429 VanDerWaalsContact CG2-O 3.3Å; I421-L429 WeakPolarHBondContact CG2-O 3.49Å; I421-F432 HydrophobicContact CD1-CD1 4.04Å; I421-F432 HydrophobicContact CD1-CE1 3.8Å; I421-F432 HydrophobicContact CG2-CD1 4.46Å; I421-A433 HydrophobicContact CB-CB 4.16Å; I421-A433 HydrophobicContact CG2-CB 3.93Å
422	F	66.1	Low	72.1	Confident	25 Å²	25	50.3 Å²	50.3	11%	0.11	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-28.3	-179.8	-163.5	-91	0	0	0	112.4	V418 G419 A424 A433 Y437 A462 R465 L466	V418-F422 WeakPolarHBondContact O-CB 3.4Å; V418-F422 PolarHBondContact O-N 3.04Å; G419-F422 PolarHBondContact O-N 3.27Å; F422-A424 PolarHBondContact O-N 3.46Å; F422-A433 HydrophobicContact CB-CB 3.91Å; F422-A433 HydrophobicContact CD2-CB 3.85Å; F422-A433 HydrophobicContact CG-CB 4.39Å; F422-Y437 HydrophobicContact CB-CE2 4.2Å; F422-Y437 HydrophobicContact CG-CE2 4.48Å; F422-A462 HydrophobicContact CD1-CB 4.37Å; F422-A462 WeakPolarHBondContact CE1-O 3.48Å; F422-R465 HydrophobicContact CE1-CB 4.04Å; F422-R465 HydrophobicContact CZ-CB 4.3Å; F422-L466 HydrophobicContact CD1-CB 4.16Å; F422-L466 HydrophobicContact CD2-CD1 4Å; F422-L466 HydrophobicContact CE1-CB 3.73Å; F422-L466 HydrophobicContact CE2-CB 4.26Å; F422-L466 HydrophobicContact CE2-CD1 3.76Å; F422-L466 VanDerWaalsContact CZ-CA 3.49Å; F422-L466 HydrophobicContact CZ-CB 3.78Å; F422-L466 HydrophobicContact CZ-CD1 4.13Å
423	E	62.9	Low	71.9	Confident	115 Å²	115	46.1 Å²	46.1	54%	0.537	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.6	172.1	-69.5	-176.5	175.8	0	0	113.7	G419 I421 N460 A462	G419-E423 PolarHBondContact O-N 3.44Å; I421-E423 PolarHBondContact O-N 3.1Å; E423-N460 PolarHBondContact OE1-ND2 3.2Å; E423-A462 HydrophobicContact CG-CB 3.79Å
424	A	65.9	Low	70.9	Confident	26 Å²	26	44.5 Å²	44.5	22%	0.215	24%	0.237	C	C	.	.	S	Bend	trans	-67.4	146.1	175.9	0	0	0	0	0	111.4	I421 F422 E426 L429 T430	I421-A424 WeakPolarHBondContact O-CB 3.38Å; I421-A424 PolarHBondContact O-N 3.38Å; F422-A424 PolarHBondContact O-N 3.46Å; A424-E426 VanDerWaalsContact C-N 3.25Å; A424-E426 PolarHBondContact O-N 3.38Å; A424-L429 HydrophobicContact CB-CB 4.31Å; A424-L429 HydrophobicContact CB-CD1 3.74Å; A424-T430 VanDerWaalsContact O-CG2 3.25Å; A424-T430 WeakPolarHBondContact O-CG2 3.41Å
425	S	56.8	Low	70.4	Confident	125 Å²	125	45 Å²	45	87%	0.874	24%	0.242	S	C	*	.	S	Bend	trans	-77.8	-5.5	179.7	57	0	0	0	0	114.5
426	E	68.3	Low	70.6	Confident	70 Å²	70	43 Å²	43	33%	0.327	23%	0.231	S	C	.	.			trans	-88.3	134.9	-171.4	-61.5	175.9	-157.1	0	0	112.6	R388 A424 L429 T430	R388-E426 WeakPolarHBondContact CD-OE2 3.26Å; R388-E426 WeakPolarHBondContact CG-OE2 3.3Å; R388-E426 IonicContact CZ-OE1 3.74Å; R388-E426 IonicContact CZ-OE2 3.18Å; R388-E426 VanDerWaalsContact NE-CD 3.31Å; R388-E426 IonicContact NE-OE1 3.27Å; R388-E426 PolarHBondContact NE-OE1 3.08Å; R388-E426 IonicContact NE-OE2 2.7Å; R388-E426 PolarHBondContact NE-OE2 3.5Å; R388-E426 IonicContact NH2-OE1 3.97Å; R388-E426 PolarHBondContact NH2-OE1 3.43Å; R388-E426 IonicContact NH2-OE2 3.87Å; A424-E426 VanDerWaalsContact C-N 3.25Å; A424-E426 PolarHBondContact O-N 3.38Å; E426-L429 HydrophobicContact CB-CB 4.14Å; E426-L429 HydrophobicContact CB-CD1 4.04Å; E426-L429 HydrophobicContact CB-CG 4.12Å; E426-L429 HydrophobicContact CG-CD1 4.29Å; E426-L429 PolarHBondContact O-N 3.1Å; E426-L429 WeakPolarHBondContact OE2-CD1 3.42Å; E426-T430 WeakPolarHBondContact O-CG2 3.32Å; E426-T430 PolarHBondContact O-N 3.43Å; E426-T430 PolarHBondContact O-OG1 3.25Å
427	E	67.4	Low	70.3	Confident	103 Å²	103	39 Å²	39	48%	0.481	21%	0.212	S	C	.	.	H	α-helix	trans	-60.5	-51.7	-175.6	-174.1	173.2	-176.3	0	0	113.2	L429 T430 Q431	E427-L429 VanDerWaalsContact C-N 3.26Å; E427-L429 PolarHBondContact O-N 3.35Å; E427-T430 WeakPolarHBondContact CA-OG1 3.48Å; E427-T430 PolarHBondContact O-N 3.33Å; E427-T430 VanDerWaalsContact O-N 3.13Å; E427-T430 PolarHBondContact O-OG1 3.22Å; E427-Q431 HydrophobicContact CG-CG 4.33Å; E427-Q431 WeakPolarHBondContact O-CG 3.26Å; E427-Q431 PolarHBondContact O-N 3.06Å; E427-Q431 PolarHBondContact OE1-NE2 3.44Å; E427-Q431 VanDerWaalsContact OE1-NE2 3.09Å
428	N	74	Confident	69.5	Low	76 Å²	76	39.4 Å²	39.4	41%	0.406	22%	0.216	S	C	.	.	H	α-helix	trans	-58.3	-39.2	-179.6	-66.1	-7.7	0	0	0	112.4	R388 F432	R388-N428 PolarHBondContact O-ND2 3.05Å; R388-N428 VanDerWaalsContact O-ND2 3.08Å; N428-F432 WeakPolarHBondContact O-CB 3.33Å; N428-F432 PolarHBondContact O-N 3.22Å
429	L	73.4	Confident	69.3	Low	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-46.7	177	-74	-174.5	0	0	0	111.1	R384 V387 R388 I421 A424 E426 E427 Q431 F432 A433	R384-L429 HydrophobicContact CB-CD2 4.21Å; R384-L429 HydrophobicContact CG-CD2 4.17Å; V387-L429 HydrophobicContact CB-CD2 3.99Å; V387-L429 HydrophobicContact CG1-CD2 3.75Å; R388-L429 HydrophobicContact CG-CD2 4.34Å; R388-L429 HydrophobicContact CG-CG 4.33Å; I421-L429 HydrophobicContact CG2-CB 3.61Å; I421-L429 HydrophobicContact CG2-CD2 3.92Å; I421-L429 HydrophobicContact CG2-CG 4.22Å; I421-L429 VanDerWaalsContact CG2-O 3.3Å; I421-L429 WeakPolarHBondContact CG2-O 3.49Å; A424-L429 HydrophobicContact CB-CB 4.31Å; A424-L429 HydrophobicContact CB-CD1 3.74Å; E426-L429 HydrophobicContact CB-CB 4.14Å; E426-L429 HydrophobicContact CB-CD1 4.04Å; E426-L429 HydrophobicContact CB-CG 4.12Å; E426-L429 HydrophobicContact CG-CD1 4.29Å; E426-L429 PolarHBondContact O-N 3.1Å; E426-L429 WeakPolarHBondContact OE2-CD1 3.42Å; E427-L429 VanDerWaalsContact C-N 3.26Å; E427-L429 PolarHBondContact O-N 3.35Å; L429-Q431 PolarHBondContact O-N 3.3Å; L429-F432 PolarHBondContact O-N 3.15Å; L429-A433 WeakPolarHBondContact O-CB 3.46Å; L429-A433 PolarHBondContact O-N 2.68Å
430	T	66.9	Low	69.5	Low	41 Å²	41	39.6 Å²	39.6	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-39.3	177.7	58.4	0	0	0	0	112.5	A424 E426 E427 A433 S434	A424-T430 VanDerWaalsContact O-CG2 3.25Å; A424-T430 WeakPolarHBondContact O-CG2 3.41Å; E426-T430 WeakPolarHBondContact O-CG2 3.32Å; E426-T430 PolarHBondContact O-N 3.43Å; E426-T430 PolarHBondContact O-OG1 3.25Å; E427-T430 WeakPolarHBondContact CA-OG1 3.48Å; E427-T430 PolarHBondContact O-N 3.33Å; E427-T430 VanDerWaalsContact O-N 3.13Å; E427-T430 PolarHBondContact O-OG1 3.22Å; T430-A433 PolarHBondContact O-N 3.43Å; T430-S434 WeakPolarHBondContact O-CB 3.41Å; T430-S434 PolarHBondContact O-N 2.9Å; T430-S434 PolarHBondContact O-OG 3.49Å
431	Q	69.1	Low	69.2	Low	98 Å²	98	37.2 Å²	37.2	46%	0.458	21%	0.205	S	C	.	.	H	α-helix	trans	-65.2	-42.5	175.1	-70.6	-178.7	8.4	0	0	112.1	E427 L429 S434 A435	E427-Q431 HydrophobicContact CG-CG 4.33Å; E427-Q431 WeakPolarHBondContact O-CG 3.26Å; E427-Q431 PolarHBondContact O-N 3.06Å; E427-Q431 PolarHBondContact OE1-NE2 3.44Å; E427-Q431 VanDerWaalsContact OE1-NE2 3.09Å; L429-Q431 PolarHBondContact O-N 3.3Å; Q431-S434 PolarHBondContact O-N 3.36Å; Q431-S434 PolarHBondContact O-OG 2.88Å; Q431-A435 WeakPolarHBondContact O-CB 3.39Å; Q431-A435 PolarHBondContact O-N 3.18Å
432	F	79.8	Confident	68.9	Low	9 Å²	9	42 Å²	42	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-48.2	173.6	168.5	-95.9	0	0	0	111.4	I383 V387 V392 I397 I421 N428 L429 S434 A435 M436	I383-F432 HydrophobicContact CG2-CZ 4.38Å; V387-F432 HydrophobicContact CB-CG 4.42Å; V387-F432 HydrophobicContact CG1-CB 3.42Å; V387-F432 VanDerWaalsContact CG1-CB 3.42Å; V387-F432 HydrophobicContact CG1-CD1 4.34Å; V387-F432 HydrophobicContact CG1-CD2 4.34Å; V387-F432 HydrophobicContact CG1-CG 3.78Å; V387-F432 HydrophobicContact CG2-CB 4.27Å; V387-F432 HydrophobicContact CG2-CD1 3.94Å; V387-F432 HydrophobicContact CG2-CD2 3.69Å; V387-F432 HydrophobicContact CG2-CE1 4.22Å; V387-F432 HydrophobicContact CG2-CE2 4.02Å; V387-F432 HydrophobicContact CG2-CG 3.67Å; V387-F432 HydrophobicContact CG2-CZ 4.26Å; V392-F432 HydrophobicContact CG1-CD2 3.71Å; V392-F432 HydrophobicContact CG1-CE2 3.49Å; V392-F432 VanDerWaalsContact CG1-CE2 3.49Å; I397-F432 HydrophobicContact CD1-CD2 3.72Å; I397-F432 HydrophobicContact CD1-CE2 3.98Å; I397-F432 HydrophobicContact CG1-CD2 4.48Å; I397-F432 HydrophobicContact CG1-CE2 4.34Å; I421-F432 HydrophobicContact CD1-CD1 4.04Å; I421-F432 HydrophobicContact CD1-CE1 3.8Å; I421-F432 HydrophobicContact CG2-CD1 4.46Å; N428-F432 WeakPolarHBondContact O-CB 3.33Å; N428-F432 PolarHBondContact O-N 3.22Å; L429-F432 PolarHBondContact O-N 3.15Å; F432-S434 VanDerWaalsContact C-N 3.27Å; F432-S434 PolarHBondContact O-N 2.99Å; F432-A435 PolarHBondContact O-N 3.11Å; F432-M436 HydrophobicContact CD1-CG 4.21Å; F432-M436 HydrophobicContact CD2-CG 4.37Å; F432-M436 HydrophobicContact CE1-CG 3.68Å; F432-M436 HydrophobicContact CE2-CE 3.96Å; F432-M436 HydrophobicContact CE2-CG 3.82Å; F432-M436 HydrophobicContact CE2-SD 4.23Å; F432-M436 HydrophobicContact CZ-CE 4.25Å; F432-M436 HydrophobicContact CZ-CG 3.45Å; F432-M436 VanDerWaalsContact CZ-CG 3.45Å; F432-M436 HydrophobicContact CZ-SD 3.91Å; F432-M436 WeakPolarHBondContact O-CB 3.26Å; F432-M436 WeakPolarHBondContact O-CG 3.46Å; F432-M436 PolarHBondContact O-N 2.86Å
433	A	72.7	Confident	69	Low	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-38.4	-179.4	0	0	0	0	0	111.4	V418 I421 F422 L429 T430 M436 Y437	V418-A433 HydrophobicContact CG1-CB 3.87Å; V418-A433 VanDerWaalsContact CG1-O 3.31Å; V418-A433 WeakPolarHBondContact CG1-O 3.29Å; I421-A433 HydrophobicContact CB-CB 4.16Å; I421-A433 HydrophobicContact CG2-CB 3.93Å; F422-A433 HydrophobicContact CB-CB 3.91Å; F422-A433 HydrophobicContact CD2-CB 3.85Å; F422-A433 HydrophobicContact CG-CB 4.39Å; L429-A433 WeakPolarHBondContact O-CB 3.46Å; L429-A433 PolarHBondContact O-N 2.68Å; T430-A433 PolarHBondContact O-N 3.43Å; A433-M436 PolarHBondContact O-N 2.79Å; A433-Y437 WeakPolarHBondContact O-CB 3.23Å; A433-Y437 WeakPolarHBondContact O-CD2 3.23Å; A433-Y437 PolarHBondContact O-N 3.07Å
434	S	62	Low	69.1	Low	9 Å²	9	37 Å²	37	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-68.7	-40.5	178.4	86	0	0	0	0	112.4	T430 Q431 F432 Y437 A438 H469	T430-S434 WeakPolarHBondContact O-CB 3.41Å; T430-S434 PolarHBondContact O-N 2.9Å; T430-S434 PolarHBondContact O-OG 3.49Å; Q431-S434 PolarHBondContact O-N 3.36Å; Q431-S434 PolarHBondContact O-OG 2.88Å; F432-S434 VanDerWaalsContact C-N 3.27Å; F432-S434 PolarHBondContact O-N 2.99Å; S434-Y437 PolarHBondContact O-N 3.49Å; S434-A438 WeakPolarHBondContact O-CB 3.17Å; S434-A438 PolarHBondContact O-N 2.8Å; S434-H469 WeakPolarHBondContact CB-CD2 3.43Å; S434-H469 WeakPolarHBondContact CB-NE2 3.27Å; S434-H469 PolarHBondContact OG-CD2 3.07Å; S434-H469 PolarHBondContact OG-NE2 3.2Å
435	A	70.3	Confident	68.7	Low	15 Å²	15	38.7 Å²	38.7	12%	0.124	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-42.2	173.2	0	0	0	0	0	112.4	L394 I397 Q431 F432 A438 A439	L394-A435 HydrophobicContact CD1-CB 3.66Å; I397-A435 HydrophobicContact CD1-CB 3.66Å; Q431-A435 WeakPolarHBondContact O-CB 3.39Å; Q431-A435 PolarHBondContact O-N 3.18Å; F432-A435 PolarHBondContact O-N 3.11Å; A435-A438 PolarHBondContact O-N 3.26Å; A435-A439 WeakPolarHBondContact O-CB 3.27Å; A435-A439 PolarHBondContact O-N 3.14Å
436	M	77	Confident	68.5	Low	4 Å²	4	38.1 Å²	38.1	2%	0.02	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-51	172.4	-79.6	-69.1	106.1	0	0	111.3	I397 F401 L414 V418 F432 A433 A438 A439 I440	I397-M436 HydrophobicContact CB-CE 3.61Å; I397-M436 HydrophobicContact CD1-CE 3.5Å; I397-M436 HydrophobicContact CG1-CE 3.27Å; I397-M436 HydrophobicContact CG2-CE 3.17Å; F401-M436 HydrophobicContact CD2-CE 4.31Å; F401-M436 HydrophobicContact CE2-CE 3.63Å; F401-M436 HydrophobicContact CE2-SD 3.74Å; F401-M436 HydrophobicContact CZ-SD 4.24Å; L414-M436 HydrophobicContact CD1-SD 4.38Å; V418-M436 HydrophobicContact CG1-CB 3.77Å; V418-M436 HydrophobicContact CG2-CB 3.77Å; V418-M436 HydrophobicContact CG2-CG 4.01Å; F432-M436 HydrophobicContact CD1-CG 4.21Å; F432-M436 HydrophobicContact CD2-CG 4.37Å; F432-M436 HydrophobicContact CE1-CG 3.68Å; F432-M436 HydrophobicContact CE2-CE 3.96Å; F432-M436 HydrophobicContact CE2-CG 3.82Å; F432-M436 HydrophobicContact CE2-SD 4.23Å; F432-M436 HydrophobicContact CZ-CE 4.25Å; F432-M436 HydrophobicContact CZ-CG 3.45Å; F432-M436 VanDerWaalsContact CZ-CG 3.45Å; F432-M436 HydrophobicContact CZ-SD 3.91Å; F432-M436 WeakPolarHBondContact O-CB 3.26Å; F432-M436 WeakPolarHBondContact O-CG 3.46Å; F432-M436 PolarHBondContact O-N 2.86Å; A433-M436 PolarHBondContact O-N 2.79Å; M436-A438 PolarHBondContact O-N 3.04Å; M436-A439 PolarHBondContact O-N 3.21Å; M436-I440 WeakPolarHBondContact O-CB 3.27Å; M436-I440 WeakPolarHBondContact O-CG1 3.35Å; M436-I440 PolarHBondContact O-N 3.1Å
437	Y	70.3	Confident	67.4	Low	19 Å²	19	42.1 Å²	42.1	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-42.5	179.4	-87.1	-58.2	0	0	0	112.7	L415 V418 G419 F422 A433 S434 A439 I440 F441 L466	L415-Y437 HydrophobicContact CD2-CD1 4.16Å; L415-Y437 HydrophobicContact CD2-CE1 3.72Å; L415-Y437 PolarHBondContact O-OH 3.43Å; V418-Y437 HydrophobicContact CB-CD2 4.47Å; V418-Y437 HydrophobicContact CB-CE1 4.49Å; V418-Y437 HydrophobicContact CB-CE2 4.1Å; V418-Y437 HydrophobicContact CG1-CD1 4.23Å; V418-Y437 HydrophobicContact CG1-CD2 3.3Å; V418-Y437 HydrophobicContact CG1-CE1 4.18Å; V418-Y437 HydrophobicContact CG1-CE2 3.29Å; V418-Y437 HydrophobicContact CG1-CG 3.81Å; G419-Y437 WeakPolarHBondContact CA-OH 3.47Å; G419-Y437 PolarHBondContact N-OH 2.86Å; F422-Y437 HydrophobicContact CB-CE2 4.2Å; F422-Y437 HydrophobicContact CG-CE2 4.48Å; A433-Y437 WeakPolarHBondContact O-CB 3.23Å; A433-Y437 WeakPolarHBondContact O-CD2 3.23Å; A433-Y437 PolarHBondContact O-N 3.07Å; S434-Y437 PolarHBondContact O-N 3.49Å; Y437-A439 VanDerWaalsContact C-N 3.34Å; Y437-A439 PolarHBondContact O-N 3.47Å; Y437-I440 PolarHBondContact O-N 3.42Å; Y437-F441 VanDerWaalsContact O-CB 3.28Å; Y437-F441 WeakPolarHBondContact O-CB 3.3Å; Y437-F441 PolarHBondContact O-N 2.97Å; Y437-L466 HydrophobicContact CD1-CD2 3.95Å; Y437-L466 HydrophobicContact CD2-CD1 3.22Å; Y437-L466 HydrophobicContact CD2-CD2 3.49Å; Y437-L466 VanDerWaalsContact CD2-CD2 3.49Å; Y437-L466 HydrophobicContact CD2-CG 3.97Å; Y437-L466 HydrophobicContact CE1-CD2 3.92Å; Y437-L466 HydrophobicContact CE2-CD1 3.9Å; Y437-L466 HydrophobicContact CE2-CD2 3.4Å; Y437-L466 VanDerWaalsContact CE2-CD2 3.4Å; Y437-L466 HydrophobicContact CE2-CG 4.26Å; Y437-L466 HydrophobicContact CG-CD1 3.64Å; Y437-L466 HydrophobicContact CG-CD2 3.75Å; Y437-L466 HydrophobicContact CG-CG 4.27Å
438	A	65.8	Low	66.8	Low	10 Å²	10	41.5 Å²	41.5	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-44.4	175.4	0	0	0	0	0	111.2	S434 A435 M436 F441 M442 T473	S434-A438 WeakPolarHBondContact O-CB 3.17Å; S434-A438 PolarHBondContact O-N 2.8Å; A435-A438 PolarHBondContact O-N 3.26Å; M436-A438 PolarHBondContact O-N 3.04Å; A438-F441 PolarHBondContact O-N 3.2Å; A438-M442 VanDerWaalsContact O-CG 3.29Å; A438-M442 WeakPolarHBondContact O-CG 3.36Å; A438-M442 PolarHBondContact O-N 2.8Å; A438-T473 HydrophobicContact CB-CG2 3.92Å
439	A	72.4	Confident	65.8	Low	19 Å²	19	39.7 Å²	39.7	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-42	177.9	0	0	0	0	0	112.3	I397 F401 A435 M436 Y437 F441 M442 M443	I397-A439 HydrophobicContact CG2-CB 4.19Å; F401-A439 HydrophobicContact CB-CB 4.22Å; F401-A439 HydrophobicContact CD1-CB 3.71Å; F401-A439 HydrophobicContact CD2-CB 3.62Å; F401-A439 HydrophobicContact CE1-CB 3.9Å; F401-A439 HydrophobicContact CE2-CB 3.82Å; F401-A439 HydrophobicContact CG-CB 3.55Å; F401-A439 HydrophobicContact CZ-CB 3.96Å; A435-A439 WeakPolarHBondContact O-CB 3.27Å; A435-A439 PolarHBondContact O-N 3.14Å; M436-A439 PolarHBondContact O-N 3.21Å; Y437-A439 VanDerWaalsContact C-N 3.34Å; Y437-A439 PolarHBondContact O-N 3.47Å; A439-F441 VanDerWaalsContact C-N 3.33Å; A439-F441 PolarHBondContact O-N 3.35Å; A439-M442 PolarHBondContact O-N 3.12Å; A439-M443 WeakPolarHBondContact O-CB 3.18Å; A439-M443 PolarHBondContact O-N 3.28Å
440	I	71.9	Confident	64.6	Low	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-43.8	173.5	-68.9	165.6	0	0	0	110.8	F401 L411 L414 L415 M436 Y437 M442 M443 C444	F401-I440 HydrophobicContact CE1-CB 4.4Å; F401-I440 HydrophobicContact CE1-CG1 3.71Å; F401-I440 HydrophobicContact CZ-CD1 4.5Å; F401-I440 HydrophobicContact CZ-CG1 3.59Å; L411-I440 HydrophobicContact CD1-CB 4.5Å; L411-I440 HydrophobicContact CD1-CG1 4.29Å; L411-I440 HydrophobicContact CD1-CG2 3.48Å; L411-I440 VanDerWaalsContact CD1-CG2 3.48Å; L414-I440 HydrophobicContact CD2-CD1 3.74Å; L414-I440 HydrophobicContact CD2-CG1 4.08Å; L414-I440 HydrophobicContact CG-CD1 3.91Å; L415-I440 HydrophobicContact CD2-CD1 4.07Å; L415-I440 HydrophobicContact CD2-CG2 3.97Å; M436-I440 WeakPolarHBondContact O-CB 3.27Å; M436-I440 WeakPolarHBondContact O-CG1 3.35Å; M436-I440 PolarHBondContact O-N 3.1Å; Y437-I440 PolarHBondContact O-N 3.42Å; I440-M442 VanDerWaalsContact C-N 3.33Å; I440-M442 PolarHBondContact O-N 2.57Å; I440-M443 WeakPolarHBondContact O-CB 3.43Å; I440-M443 PolarHBondContact O-N 2.99Å; I440-C444 PolarHBondContact O-N 2.75Å; I440-C444 PolarHBondContact O-SG 3.04Å
441	F	66.3	Low	63.7	Low	15 Å²	15	44.5 Å²	44.5	7%	0.066	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-38.2	179.7	-170.6	-92.9	0	0	0	112.1	Y437 A438 A439 M443 K449 L452 I470 V474 L485	Y437-F441 VanDerWaalsContact O-CB 3.28Å; Y437-F441 WeakPolarHBondContact O-CB 3.3Å; Y437-F441 PolarHBondContact O-N 2.97Å; A438-F441 PolarHBondContact O-N 3.2Å; A439-F441 VanDerWaalsContact C-N 3.33Å; A439-F441 PolarHBondContact O-N 3.35Å; F441-M443 VanDerWaalsContact C-N 3.34Å; F441-K449 HydrophobicContact CD1-CD 4.39Å; F441-K449 HydrophobicContact CD2-CG 4.16Å; F441-K449 HydrophobicContact CE1-CD 3.75Å; F441-K449 HydrophobicContact CE1-CG 4.2Å; F441-K449 HydrophobicContact CE2-CB 3.77Å; F441-K449 HydrophobicContact CE2-CD 4.14Å; F441-K449 HydrophobicContact CE2-CG 3.72Å; F441-K449 HydrophobicContact CZ-CB 3.94Å; F441-K449 HydrophobicContact CZ-CD 3.6Å; F441-K449 HydrophobicContact CZ-CG 3.74Å; F441-K449 WeakPolarHBondContact O-CE 3.45Å; F441-L452 HydrophobicContact CD2-CD1 4.5Å; F441-I470 HydrophobicContact CD1-CG2 4.47Å; F441-I470 HydrophobicContact CG-CG2 4.38Å; F441-V474 HydrophobicContact CD1-CG2 4.01Å; F441-V474 HydrophobicContact CE1-CG1 4.49Å; F441-V474 HydrophobicContact CE1-CG2 4.41Å; F441-L485 HydrophobicContact CE2-CD1 4.41Å; F441-L485 HydrophobicContact CZ-CD1 3.93Å
442	M	67.4	Low	62.8	Low	100 Å²	100	41.2 Å²	41.2	49%	0.493	23%	0.225	S	C	.	.	H	α-helix	trans	-69.7	-30.8	174.4	-68.2	-61	-64.7	0	0	112.8	A438 A439 I440	A438-M442 VanDerWaalsContact O-CG 3.29Å; A438-M442 WeakPolarHBondContact O-CG 3.36Å; A438-M442 PolarHBondContact O-N 2.8Å; A439-M442 PolarHBondContact O-N 3.12Å; I440-M442 VanDerWaalsContact C-N 3.33Å; I440-M442 PolarHBondContact O-N 2.57Å
443	M	68.2	Low	61.4	Low	28 Å²	28	42.4 Å²	42.4	14%	0.138	23%	0.231	C	C	.	.	H	α-helix	trans	-73.5	-34	175.6	177.7	179.7	98.2	0	0	112.7	F401 Q404 L407 L411 A439 I440 F441	F401-M443 HydrophobicContact CD1-CB 4.36Å; F401-M443 HydrophobicContact CD1-SD 4.11Å; F401-M443 HydrophobicContact CE1-SD 4.06Å; Q404-M443 HydrophobicContact CB-CG 3.65Å; Q404-M443 HydrophobicContact CB-SD 3.56Å; Q404-M443 VanDerWaalsContact CB-SD 3.56Å; Q404-M443 HydrophobicContact CG-CG 4.46Å; L407-M443 HydrophobicContact CB-SD 4.27Å; L411-M443 HydrophobicContact CD1-CE 3.9Å; L411-M443 HydrophobicContact CD2-CE 4.15Å; L411-M443 HydrophobicContact CG-CE 4.42Å; A439-M443 WeakPolarHBondContact O-CB 3.18Å; A439-M443 PolarHBondContact O-N 3.28Å; I440-M443 WeakPolarHBondContact O-CB 3.43Å; I440-M443 PolarHBondContact O-N 2.99Å; F441-M443 VanDerWaalsContact C-N 3.34Å
444	C	64.9	Low	60.1	Low	7 Å²	7	48.7 Å²	48.7	5%	0.047	27%	0.265	C	S	.	.	S	Bend	trans	-71.8	139.1	-176.6	-72.6	0	0	0	0	112.2	I440 Q448 K449	I440-C444 PolarHBondContact O-N 2.75Å; I440-C444 PolarHBondContact O-SG 3.04Å; C444-Q448 HydrophobicContact CB-CB 3.74Å; C444-K449 HydrophobicContact CB-CG 4.36Å; C444-K449 VanDerWaalsContact O-CE 3.23Å; C444-K449 WeakPolarHBondContact O-CE 3.3Å
445	S	58	Low	59.3	Low	63 Å²	63	52.3 Å²	52.3	44%	0.441	28%	0.283	S	S	.	.			trans	-64.2	159.1	168.2	58.3	0	0	0	0	111.7	M447 Q448 K449	S445-M447 PolarHBondContact O-N 3.12Å; S445-M447 VanDerWaalsContact O-N 3.15Å; S445-Q448 VanDerWaalsContact N-OE1 3.12Å; S445-Q448 WeakPolarHBondContact O-CA 3.35Å; S445-Q448 WeakPolarHBondContact O-CB 3.3Å; S445-Q448 PolarHBondContact O-N 3.05Å; S445-Q448 PolarHBondContact OG-OE1 3.35Å; S445-K449 PolarHBondContact O-N 2.9Å
446	D	53	Low	58.1	Low	113 Å²	113	52.2 Å²	52.2	60%	0.604	28%	0.281	S	S	*	.	H	α-helix	trans	-55.6	-35.9	-178.1	-67	-27.2	0	0	0	113.2	Q448 K449 E450	D446-Q448 VanDerWaalsContact C-N 3.33Å; D446-Q448 PolarHBondContact O-N 2.78Å; D446-K449 WeakPolarHBondContact O-CB 3.42Å; D446-K449 PolarHBondContact O-N 2.8Å; D446-K449 IonicContact OD1-NZ 3.48Å; D446-K449 PolarHBondContact OD1-NZ 2.94Å; D446-E450 PolarHBondContact O-N 3.45Å
447	M	44.7	Very low	56.4	Low	153 Å²	153	56.3 Å²	56.3	75%	0.754	31%	0.307	S	S	*	.	H	α-helix	trans	-64.8	-33.2	174.4	-64.1	-75.5	-84.1	0	0	112.9	S445 G451	S445-M447 PolarHBondContact O-N 3.12Å; S445-M447 VanDerWaalsContact O-N 3.15Å; M447-G451 PolarHBondContact O-N 2.95Å
448	Q	54.1	Low	55.1	Low	90 Å²	90	65.3 Å²	65.3	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-78.1	-30.6	174.2	-73.2	172.2	-37.4	0	0	111.8	C444 S445 D446 E450 G451 L452	C444-Q448 HydrophobicContact CB-CB 3.74Å; S445-Q448 VanDerWaalsContact N-OE1 3.12Å; S445-Q448 WeakPolarHBondContact O-CA 3.35Å; S445-Q448 WeakPolarHBondContact O-CB 3.3Å; S445-Q448 PolarHBondContact O-N 3.05Å; S445-Q448 PolarHBondContact OG-OE1 3.35Å; D446-Q448 VanDerWaalsContact C-N 3.33Å; D446-Q448 PolarHBondContact O-N 2.78Å; Q448-E450 VanDerWaalsContact C-N 3.34Å; Q448-G451 PolarHBondContact O-N 3.49Å; Q448-L452 PolarHBondContact O-N 3.4Å
449	K	53.2	Low	54.1	Low	38 Å²	38	66 Å²	66	17%	0.165	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-42.1	171.7	-63.2	176.1	-169.3	161.7	0	110.7	F441 C444 S445 D446 G451 L452 L453	F441-K449 HydrophobicContact CD1-CD 4.39Å; F441-K449 HydrophobicContact CD2-CG 4.16Å; F441-K449 HydrophobicContact CE1-CD 3.75Å; F441-K449 HydrophobicContact CE1-CG 4.2Å; F441-K449 HydrophobicContact CE2-CB 3.77Å; F441-K449 HydrophobicContact CE2-CD 4.14Å; F441-K449 HydrophobicContact CE2-CG 3.72Å; F441-K449 HydrophobicContact CZ-CB 3.94Å; F441-K449 HydrophobicContact CZ-CD 3.6Å; F441-K449 HydrophobicContact CZ-CG 3.74Å; F441-K449 WeakPolarHBondContact O-CE 3.45Å; C444-K449 HydrophobicContact CB-CG 4.36Å; C444-K449 VanDerWaalsContact O-CE 3.23Å; C444-K449 WeakPolarHBondContact O-CE 3.3Å; S445-K449 PolarHBondContact O-N 2.9Å; D446-K449 WeakPolarHBondContact O-CB 3.42Å; D446-K449 PolarHBondContact O-N 2.8Å; D446-K449 IonicContact OD1-NZ 3.48Å; D446-K449 PolarHBondContact OD1-NZ 2.94Å; K449-G451 VanDerWaalsContact C-N 3.34Å; K449-G451 PolarHBondContact O-N 3.23Å; K449-L452 WeakPolarHBondContact O-CB 3.23Å; K449-L452 PolarHBondContact O-N 3.45Å; K449-L453 VanDerWaalsContact O-CG 3.28Å; K449-L453 WeakPolarHBondContact O-CG 3.43Å; K449-L453 PolarHBondContact O-N 2.75Å
450	E	48.5	Very low	52.9	Low	108 Å²	108	68.1 Å²	68.1	51%	0.505	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-44.7	172.2	-75.8	-178.2	177.9	0	0	111.5	D446 Q448 L452 L453 D454	D446-E450 PolarHBondContact O-N 3.45Å; Q448-E450 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 2.82Å; E450-L453 CarbonylContact O-C 3.5Å; E450-L453 WeakPolarHBondContact O-CA 3.12Å; E450-L453 PolarHBondContact O-N 3.16Å; E450-D454 PolarHBondContact O-N 2.93Å
451	G	48.8	Very low	51.6	Low	35 Å²	35	72.1 Å²	72.1	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-38.5	175.1	0	0	0	0	0	114.1	M447 Q448 K449 L453 D454 L455	M447-G451 PolarHBondContact O-N 2.95Å; Q448-G451 PolarHBondContact O-N 3.49Å; K449-G451 VanDerWaalsContact C-N 3.34Å; K449-G451 PolarHBondContact O-N 3.23Å; G451-L453 VanDerWaalsContact C-N 3.28Å; G451-L453 PolarHBondContact O-N 3.46Å; G451-D454 PolarHBondContact O-N 3.25Å; G451-L455 WeakPolarHBondContact O-CD1 3.46Å; G451-L455 PolarHBondContact O-N 3.38Å
452	L	50.1	Low	50.5	Low	30 Å²	30	72 Å²	72	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-64	-33.3	171.3	-99.3	150.7	0	0	0	112	L415 F441 Q448 K449 E450	L415-L452 HydrophobicContact CD2-CD2 4.26Å; F441-L452 HydrophobicContact CD2-CD1 4.5Å; Q448-L452 PolarHBondContact O-N 3.4Å; K449-L452 WeakPolarHBondContact O-CB 3.23Å; K449-L452 PolarHBondContact O-N 3.45Å; E450-L452 PolarHBondContact O-N 2.82Å
453	L	49.3	Very low	49.6	Very low	34 Å²	34	69.8 Å²	69.8	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-82.6	-27.9	177.1	-67.2	173.1	0	0	0	113.3	K449 E450 G451 L455 V456 L485 F489	K449-L453 VanDerWaalsContact O-CG 3.28Å; K449-L453 WeakPolarHBondContact O-CG 3.43Å; K449-L453 PolarHBondContact O-N 2.75Å; E450-L453 CarbonylContact O-C 3.5Å; E450-L453 WeakPolarHBondContact O-CA 3.12Å; E450-L453 PolarHBondContact O-N 3.16Å; G451-L453 VanDerWaalsContact C-N 3.28Å; G451-L453 PolarHBondContact O-N 3.46Å; L453-L455 PolarHBondContact O-N 3.23Å; L453-V456 HydrophobicContact CB-CG2 4.3Å; L453-V456 HydrophobicContact CD2-CG2 3.99Å; L453-V456 WeakPolarHBondContact O-CA 3.22Å; L453-V456 WeakPolarHBondContact O-CB 3.46Å; L453-V456 WeakPolarHBondContact O-CG2 3.49Å; L453-V456 PolarHBondContact O-N 3.14Å; L453-L485 HydrophobicContact CD1-CD1 3.93Å; L453-L485 HydrophobicContact CD2-CD1 3.72Å; L453-L485 HydrophobicContact CG-CD1 4.37Å; L453-F489 HydrophobicContact CD2-CE1 4.38Å; L453-F489 HydrophobicContact CD2-CE2 4.05Å; L453-F489 HydrophobicContact CD2-CZ 3.67Å
454	D	46.9	Very low	48.7	Very low	131 Å²	131	69.5 Å²	69.5	70%	0.701	36%	0.362	S	S	*	.	H	α-helix	trans	-68.5	-17.7	173.3	-94.6	-2.4	0	0	0	112.2	E450 G451 P457	E450-D454 PolarHBondContact O-N 2.93Å; G451-D454 PolarHBondContact O-N 3.25Å; D454-P457 VanDerWaalsContact O-CD 3.29Å; D454-P457 WeakPolarHBondContact O-CD 3.31Å
455	L	44.9	Very low	47.8	Very low	86 Å²	86	74.4 Å²	74.4	45%	0.45	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-14	167.4	-75.6	143.5	0	0	0	112.3	G451 L453 R458 F459	G451-L455 WeakPolarHBondContact O-CD1 3.46Å; G451-L455 PolarHBondContact O-N 3.38Å; L453-L455 PolarHBondContact O-N 3.23Å; L455-R458 CarbonylContact O-C 3.37Å; L455-R458 WeakPolarHBondContact O-CA 3.38Å; L455-R458 WeakPolarHBondContact O-CB 3.39Å; L455-R458 PolarHBondContact O-N 3.28Å; L455-F459 VanDerWaalsContact C-CE1 3.47Å; L455-F459 HydrophobicContact CB-CD1 4.29Å; L455-F459 HydrophobicContact CB-CE1 3.51Å; L455-F459 HydrophobicContact CB-CZ 4.01Å; L455-F459 WeakPolarHBondContact O-CD1 3.33Å; L455-F459 WeakPolarHBondContact O-CE1 3.17Å; L455-F459 PolarHBondContact O-N 3.33Å
456	V	44.3	Very low	47.4	Very low	13 Å²	13	71.7 Å²	71.7	8%	0.079	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-58.9	-43.5	-175.8	-179.5	0	0	0	0	114.4	L453 R458 F459 F489 V492	L453-V456 HydrophobicContact CB-CG2 4.3Å; L453-V456 HydrophobicContact CD2-CG2 3.99Å; L453-V456 WeakPolarHBondContact O-CA 3.22Å; L453-V456 WeakPolarHBondContact O-CB 3.46Å; L453-V456 WeakPolarHBondContact O-CG2 3.49Å; L453-V456 PolarHBondContact O-N 3.14Å; V456-R458 PolarHBondContact O-N 2.96Å; V456-R458 VanDerWaalsContact O-N 3.16Å; V456-F459 HydrophobicContact CB-CD2 3.84Å; V456-F459 HydrophobicContact CB-CE2 3.81Å; V456-F459 HydrophobicContact CB-CG 4.47Å; V456-F459 HydrophobicContact CB-CZ 4.47Å; V456-F459 HydrophobicContact CG1-CD2 3.86Å; V456-F459 HydrophobicContact CG1-CE2 4.2Å; V456-F459 HydrophobicContact CG2-CD2 3.77Å; V456-F459 HydrophobicContact CG2-CE2 3.23Å; V456-F459 HydrophobicContact CG2-CZ 3.88Å; V456-F459 WeakPolarHBondContact O-CB 3.33Å; V456-F459 WeakPolarHBondContact O-CG 3.43Å; V456-F459 PolarHBondContact O-N 2.91Å; V456-F489 HydrophobicContact CG1-CE1 4.06Å; V456-F489 HydrophobicContact CG2-CE1 3.95Å; V456-F489 HydrophobicContact CG2-CZ 4.38Å; V456-V492 HydrophobicContact CG1-CG1 3.82Å; V456-V492 HydrophobicContact CG1-CG2 4.37Å
457	P	40.8	Very low	47.3	Very low	89 Å²	89	66.6 Å²	66.6	58%	0.578	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-62.5	-23.4	175.9	-21.6	33.8	0	0	0	113.2	D454 F459	D454-P457 VanDerWaalsContact O-CD 3.29Å; D454-P457 WeakPolarHBondContact O-CD 3.31Å; P457-F459 VanDerWaalsContact C-N 3.33Å
458	R	43.3	Very low	47.5	Very low	209 Å²	209	60 Å²	60	79%	0.789	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-89.2	-0.3	175.2	-61.8	-175.7	177.3	-173.9	-0	112.7	L455 V456 N460	L455-R458 CarbonylContact O-C 3.37Å; L455-R458 WeakPolarHBondContact O-CA 3.38Å; L455-R458 WeakPolarHBondContact O-CB 3.39Å; L455-R458 PolarHBondContact O-N 3.28Å; V456-R458 PolarHBondContact O-N 2.96Å; V456-R458 VanDerWaalsContact O-N 3.16Å; R458-N460 PolarHBondContact O-N 3.1Å
459	F	44.7	Very low	47.2	Very low	24 Å²	24	58.3 Å²	58.3	11%	0.105	29%	0.292	C	S	.	.			trans	-65.4	125.3	-174.6	-75.5	-12	0	0	0	112.8	L455 V456 P457 Q463 I464 C467	L455-F459 VanDerWaalsContact C-CE1 3.47Å; L455-F459 HydrophobicContact CB-CD1 4.29Å; L455-F459 HydrophobicContact CB-CE1 3.51Å; L455-F459 HydrophobicContact CB-CZ 4.01Å; L455-F459 WeakPolarHBondContact O-CD1 3.33Å; L455-F459 WeakPolarHBondContact O-CE1 3.17Å; L455-F459 PolarHBondContact O-N 3.33Å; V456-F459 HydrophobicContact CB-CD2 3.84Å; V456-F459 HydrophobicContact CB-CE2 3.81Å; V456-F459 HydrophobicContact CB-CG 4.47Å; V456-F459 HydrophobicContact CB-CZ 4.47Å; V456-F459 HydrophobicContact CG1-CD2 3.86Å; V456-F459 HydrophobicContact CG1-CE2 4.2Å; V456-F459 HydrophobicContact CG2-CD2 3.77Å; V456-F459 HydrophobicContact CG2-CE2 3.23Å; V456-F459 HydrophobicContact CG2-CZ 3.88Å; V456-F459 WeakPolarHBondContact O-CB 3.33Å; V456-F459 WeakPolarHBondContact O-CG 3.43Å; V456-F459 PolarHBondContact O-N 2.91Å; P457-F459 VanDerWaalsContact C-N 3.33Å; F459-Q463 HydrophobicContact CB-CB 3.43Å; F459-Q463 VanDerWaalsContact CB-CB 3.43Å; F459-Q463 HydrophobicContact CD1-CB 3.37Å; F459-Q463 HydrophobicContact CD1-CG 3.86Å; F459-Q463 HydrophobicContact CD2-CB 3.83Å; F459-Q463 HydrophobicContact CE1-CB 4.04Å; F459-Q463 HydrophobicContact CE1-CG 4.33Å; F459-Q463 HydrophobicContact CE2-CB 4.47Å; F459-Q463 HydrophobicContact CG-CB 3.26Å; F459-Q463 HydrophobicContact CG-CG 4.26Å; F459-I464 HydrophobicContact CB-CG1 4.09Å; F459-C467 WeakPolarHBondContact CD2-SG 3.26Å; F459-C467 WeakPolarHBondContact CE2-SG 3.49Å
460	N	46.7	Very low	47.1	Very low	63 Å²	63	57.3 Å²	57.3	34%	0.337	29%	0.288	S	S	.	.			trans	-71.3	170.8	165.6	68.6	21.9	0	0	0	110.4	E423 R458 A462 Q463 I464	E423-N460 PolarHBondContact OE1-ND2 3.2Å; R458-N460 PolarHBondContact O-N 3.1Å; N460-A462 PolarHBondContact O-N 2.66Å; N460-A462 WeakPolarHBondContact OD1-CB 3.39Å; N460-A462 PolarHBondContact OD1-N 3.09Å; N460-A462 VanDerWaalsContact OD1-N 3.14Å; N460-Q463 VanDerWaalsContact CG-OE1 3.31Å; N460-Q463 PolarHBondContact O-N 3.08Å; N460-Q463 VanDerWaalsContact OD1-CG 3.27Å; N460-Q463 WeakPolarHBondContact OD1-CG 3.35Å; N460-Q463 PolarHBondContact OD1-N 2.79Å; N460-Q463 PolarHBondContact OD1-OE1 3.26Å; N460-I464 PolarHBondContact O-N 3.16Å; N460-I464 VanDerWaalsContact O-N 3.15Å
461	L	44.6	Very low	47.2	Very low	85 Å²	85	52.2 Å²	52.2	45%	0.445	27%	0.265	S	S	.	.	H	α-helix	trans	-47.5	-34.5	178	167.3	66.2	0	0	0	113.4	R465 T515	L461-R465 WeakPolarHBondContact O-CG 3.43Å; L461-T515 HydrophobicContact CB-CG2 4.46Å; L461-T515 HydrophobicContact CD1-CG2 2.96Å; L461-T515 HydrophobicContact CG-CG2 4.25Å
462	A	44.4	Very low	47.1	Very low	14 Å²	14	52.9 Å²	52.9	12%	0.116	26%	0.262	C	S	.	.	H	α-helix	trans	-76.3	-43.8	178.3	0	0	0	0	0	111.2	F422 E423 N460 I464 R465 L466	F422-A462 HydrophobicContact CD1-CB 4.37Å; F422-A462 WeakPolarHBondContact CE1-O 3.48Å; E423-A462 HydrophobicContact CG-CB 3.79Å; N460-A462 PolarHBondContact O-N 2.66Å; N460-A462 WeakPolarHBondContact OD1-CB 3.39Å; N460-A462 PolarHBondContact OD1-N 3.09Å; N460-A462 VanDerWaalsContact OD1-N 3.14Å; A462-I464 VanDerWaalsContact C-N 3.34Å; A462-I464 PolarHBondContact O-N 2.73Å; A462-R465 WeakPolarHBondContact O-CA 3.37Å; A462-R465 VanDerWaalsContact O-CB 3.29Å; A462-R465 WeakPolarHBondContact O-CB 3.41Å; A462-R465 PolarHBondContact O-N 3.2Å; A462-L466 PolarHBondContact O-N 2.9Å; A462-L466 VanDerWaalsContact O-N 3.12Å
463	Q	47.4	Very low	47	Very low	52 Å²	52	53 Å²	53	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-30.2	-178.3	-67.3	162.7	-37.7	0	0	113.2	F459 N460 R465 L466 C467	F459-Q463 HydrophobicContact CB-CB 3.43Å; F459-Q463 VanDerWaalsContact CB-CB 3.43Å; F459-Q463 HydrophobicContact CD1-CB 3.37Å; F459-Q463 HydrophobicContact CD1-CG 3.86Å; F459-Q463 HydrophobicContact CD2-CB 3.83Å; F459-Q463 HydrophobicContact CE1-CB 4.04Å; F459-Q463 HydrophobicContact CE1-CG 4.33Å; F459-Q463 HydrophobicContact CE2-CB 4.47Å; F459-Q463 HydrophobicContact CG-CB 3.26Å; F459-Q463 HydrophobicContact CG-CG 4.26Å; N460-Q463 VanDerWaalsContact CG-OE1 3.31Å; N460-Q463 PolarHBondContact O-N 3.08Å; N460-Q463 VanDerWaalsContact OD1-CG 3.27Å; N460-Q463 WeakPolarHBondContact OD1-CG 3.35Å; N460-Q463 PolarHBondContact OD1-N 2.79Å; N460-Q463 PolarHBondContact OD1-OE1 3.26Å; Q463-R465 VanDerWaalsContact C-N 3.3Å; Q463-R465 PolarHBondContact O-N 2.87Å; Q463-L466 VanDerWaalsContact O-CB 3.31Å; Q463-L466 WeakPolarHBondContact O-CB 3.47Å; Q463-L466 PolarHBondContact O-N 2.78Å; Q463-C467 PolarHBondContact O-N 2.83Å; Q463-C467 VanDerWaalsContact O-N 3.16Å; Q463-C467 PolarHBondContact O-SG 3.07Å
464	I	49.5	Very low	47	Very low	23 Å²	23	51.6 Å²	51.6	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-33.9	169.8	-64.1	172.8	0	0	0	111.7	F459 N460 A462 L466 C467 L468	F459-I464 HydrophobicContact CB-CG1 4.09Å; N460-I464 PolarHBondContact O-N 3.16Å; N460-I464 VanDerWaalsContact O-N 3.15Å; A462-I464 VanDerWaalsContact C-N 3.34Å; A462-I464 PolarHBondContact O-N 2.73Å; I464-L466 VanDerWaalsContact C-N 3.34Å; I464-C467 WeakPolarHBondContact O-CB 3.43Å; I464-C467 PolarHBondContact O-N 3.02Å; I464-L468 PolarHBondContact O-N 3.13Å
465	R	47.2	Very low	47.2	Very low	109 Å²	109	46.6 Å²	46.6	41%	0.411	23%	0.234	S	C	.	.	H	α-helix	trans	-69.5	-34.3	174.8	-64.3	171.4	178.8	169.3	-0.9	111.7	F422 L461 A462 Q463 C467 L468 H469	F422-R465 HydrophobicContact CE1-CB 4.04Å; F422-R465 HydrophobicContact CZ-CB 4.3Å; L461-R465 WeakPolarHBondContact O-CG 3.43Å; A462-R465 WeakPolarHBondContact O-CA 3.37Å; A462-R465 VanDerWaalsContact O-CB 3.29Å; A462-R465 WeakPolarHBondContact O-CB 3.41Å; A462-R465 PolarHBondContact O-N 3.2Å; Q463-R465 VanDerWaalsContact C-N 3.3Å; Q463-R465 PolarHBondContact O-N 2.87Å; R465-C467 VanDerWaalsContact C-N 3.31Å; R465-L468 WeakPolarHBondContact O-CB 3.34Å; R465-L468 PolarHBondContact O-N 3.43Å; R465-H469 PolarHBondContact O-N 3.39Å
466	L	49	Very low	47.1	Very low	7 Å²	7	50.7 Å²	50.7	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-44.1	172.5	176.9	65.3	0	0	0	110.6	F422 Y437 A462 Q463 I464 L468 H469 I470	F422-L466 HydrophobicContact CD1-CB 4.16Å; F422-L466 HydrophobicContact CD2-CD1 4Å; F422-L466 HydrophobicContact CE1-CB 3.73Å; F422-L466 HydrophobicContact CE2-CB 4.26Å; F422-L466 HydrophobicContact CE2-CD1 3.76Å; F422-L466 VanDerWaalsContact CZ-CA 3.49Å; F422-L466 HydrophobicContact CZ-CB 3.78Å; F422-L466 HydrophobicContact CZ-CD1 4.13Å; Y437-L466 HydrophobicContact CD1-CD2 3.95Å; Y437-L466 HydrophobicContact CD2-CD1 3.22Å; Y437-L466 HydrophobicContact CD2-CD2 3.49Å; Y437-L466 VanDerWaalsContact CD2-CD2 3.49Å; Y437-L466 HydrophobicContact CD2-CG 3.97Å; Y437-L466 HydrophobicContact CE1-CD2 3.92Å; Y437-L466 HydrophobicContact CE2-CD1 3.9Å; Y437-L466 HydrophobicContact CE2-CD2 3.4Å; Y437-L466 VanDerWaalsContact CE2-CD2 3.4Å; Y437-L466 HydrophobicContact CE2-CG 4.26Å; Y437-L466 HydrophobicContact CG-CD1 3.64Å; Y437-L466 HydrophobicContact CG-CD2 3.75Å; Y437-L466 HydrophobicContact CG-CG 4.27Å; A462-L466 PolarHBondContact O-N 2.9Å; A462-L466 VanDerWaalsContact O-N 3.12Å; Q463-L466 VanDerWaalsContact O-CB 3.31Å; Q463-L466 WeakPolarHBondContact O-CB 3.47Å; Q463-L466 PolarHBondContact O-N 2.78Å; I464-L466 VanDerWaalsContact C-N 3.34Å; L466-L468 VanDerWaalsContact C-N 3.35Å; L466-L468 PolarHBondContact O-N 3.22Å; L466-H469 PolarHBondContact O-N 3.19Å; L466-H469 VanDerWaalsContact O-N 3.08Å; L466-I470 HydrophobicContact CD1-CD1 4.02Å; L466-I470 HydrophobicContact CD1-CG1 4.03Å; L466-I470 HydrophobicContact CD2-CD1 4.17Å; L466-I470 HydrophobicContact CG-CD1 3.71Å; L466-I470 HydrophobicContact CG-CG1 4.15Å; L466-I470 WeakPolarHBondContact O-CG1 3.24Å; L466-I470 PolarHBondContact O-N 2.78Å
467	C	50.1	Low	47.3	Very low	5 Å²	5	57 Å²	57	3%	0.034	28%	0.275	C	S	.	.	H	α-helix	trans	-55.5	-48.1	176.7	-59.1	0	0	0	0	112.4	F459 Q463 I464 R465 H469 I470 I471 F489	F459-C467 WeakPolarHBondContact CD2-SG 3.26Å; F459-C467 WeakPolarHBondContact CE2-SG 3.49Å; Q463-C467 PolarHBondContact O-N 2.83Å; Q463-C467 VanDerWaalsContact O-N 3.16Å; Q463-C467 PolarHBondContact O-SG 3.07Å; I464-C467 WeakPolarHBondContact O-CB 3.43Å; I464-C467 PolarHBondContact O-N 3.02Å; R465-C467 VanDerWaalsContact C-N 3.31Å; C467-H469 VanDerWaalsContact C-N 3.27Å; C467-H469 PolarHBondContact O-N 2.97Å; C467-I470 PolarHBondContact O-N 3.19Å; C467-I471 WeakPolarHBondContact O-CB 3.4Å; C467-I471 WeakPolarHBondContact O-CD1 3.17Å; C467-I471 WeakPolarHBondContact O-CG1 3.13Å; C467-I471 PolarHBondContact O-N 3.02Å; C467-F489 HydrophobicContact CB-CD1 4.31Å; C467-F489 HydrophobicContact CB-CE1 3.47Å; C467-F489 VanDerWaalsContact CB-CE1 3.47Å; C467-F489 HydrophobicContact CB-CE2 4.22Å; C467-F489 HydrophobicContact CB-CZ 3.44Å; C467-F489 VanDerWaalsContact CB-CZ 3.44Å; C467-F489 WeakPolarHBondContact SG-CE1 3.35Å; C467-F489 VanDerWaalsContact SG-CZ 3.56Å
468	L	49.9	Very low	47.6	Very low	15 Å²	15	55.2 Å²	55.2	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-41.7	175.8	-88.4	159.7	0	0	0	112.3	I464 R465 L466 T472 L519 F522	I464-L468 PolarHBondContact O-N 3.13Å; R465-L468 WeakPolarHBondContact O-CB 3.34Å; R465-L468 PolarHBondContact O-N 3.43Å; L466-L468 VanDerWaalsContact C-N 3.35Å; L466-L468 PolarHBondContact O-N 3.22Å; L468-T472 PolarHBondContact O-N 3.41Å; L468-T472 PolarHBondContact O-OG1 2.86Å; L468-L519 HydrophobicContact CD1-CD1 4.35Å; L468-L519 HydrophobicContact CD2-CD1 3.64Å; L468-L519 HydrophobicContact CG-CD1 3.62Å; L468-F522 HydrophobicContact CD2-CB 3.73Å; L468-F522 HydrophobicContact CD2-CD1 3.85Å; L468-F522 HydrophobicContact CD2-CG 3.76Å
469	H	48.6	Very low	47.9	Very low	55 Å²	55	50.4 Å²	50.4	26%	0.255	25%	0.254	S	S	.	.	H	α-helix	trans	-74.5	-43.2	-179.6	-171.2	85.1	0	0	0	112.9	S434 R465 L466 C467 I471 T472 T473	S434-H469 WeakPolarHBondContact CB-CD2 3.43Å; S434-H469 WeakPolarHBondContact CB-NE2 3.27Å; S434-H469 PolarHBondContact OG-CD2 3.07Å; S434-H469 PolarHBondContact OG-NE2 3.2Å; R465-H469 PolarHBondContact O-N 3.39Å; L466-H469 PolarHBondContact O-N 3.19Å; L466-H469 VanDerWaalsContact O-N 3.08Å; C467-H469 VanDerWaalsContact C-N 3.27Å; C467-H469 PolarHBondContact O-N 2.97Å; H469-I471 PolarHBondContact O-N 2.86Å; H469-T472 VanDerWaalsContact CA-OG1 3.29Å; H469-T472 WeakPolarHBondContact CA-OG1 3.33Å; H469-T472 PolarHBondContact O-N 3.44Å; H469-T472 VanDerWaalsContact O-N 3.07Å; H469-T472 PolarHBondContact O-OG1 3.31Å; H469-T473 PolarHBondContact CD2-OG1 3.5Å; H469-T473 VanDerWaalsContact CD2-OG1 3.27Å; H469-T473 PolarHBondContact CE1-OG1 3.42Å; H469-T473 PolarHBondContact NE2-OG1 3.03Å; H469-T473 WeakPolarHBondContact O-CB 3.32Å; H469-T473 PolarHBondContact O-N 2.7Å; H469-T473 PolarHBondContact O-OG1 2.96Å; H469-T473 VanDerWaalsContact O-OG1 3.08Å
470	I	50.6	Low	48.1	Very low	16 Å²	16	57 Å²	57	8%	0.082	29%	0.286	C	S	.	.	H	α-helix	trans	-56.1	-43	172.9	-65.9	173.4	0	0	0	108.7	F441 L466 C467 T473 V474 L485	F441-I470 HydrophobicContact CD1-CG2 4.47Å; F441-I470 HydrophobicContact CG-CG2 4.38Å; L466-I470 HydrophobicContact CD1-CD1 4.02Å; L466-I470 HydrophobicContact CD1-CG1 4.03Å; L466-I470 HydrophobicContact CD2-CD1 4.17Å; L466-I470 HydrophobicContact CG-CD1 3.71Å; L466-I470 HydrophobicContact CG-CG1 4.15Å; L466-I470 WeakPolarHBondContact O-CG1 3.24Å; L466-I470 PolarHBondContact O-N 2.78Å; C467-I470 PolarHBondContact O-N 3.19Å; I470-T473 PolarHBondContact O-N 2.89Å; I470-V474 HydrophobicContact CG2-CG2 3.64Å; I470-V474 WeakPolarHBondContact O-CA 3.32Å; I470-V474 WeakPolarHBondContact O-CB 3.34Å; I470-V474 WeakPolarHBondContact O-CG2 3.44Å; I470-V474 PolarHBondContact O-N 3.28Å; I470-L485 HydrophobicContact CG2-CD2 4.02Å
471	I	51	Low	48.3	Very low	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-52.5	173	-66.7	163.1	0	0	0	110.6	C467 H469 T473 A475 L485 M486 F489 L519 F522	C467-I471 WeakPolarHBondContact O-CB 3.4Å; C467-I471 WeakPolarHBondContact O-CD1 3.17Å; C467-I471 WeakPolarHBondContact O-CG1 3.13Å; C467-I471 PolarHBondContact O-N 3.02Å; H469-I471 PolarHBondContact O-N 2.86Å; I471-T473 VanDerWaalsContact C-N 3.3Å; I471-T473 PolarHBondContact O-N 3.4Å; I471-A475 WeakPolarHBondContact O-CA 3.37Å; I471-A475 WeakPolarHBondContact O-CB 3.3Å; I471-A475 PolarHBondContact O-N 3.01Å; I471-L485 HydrophobicContact CG1-CD2 3.89Å; I471-L485 HydrophobicContact CG1-CG 4.36Å; I471-M486 HydrophobicContact CD1-SD 4.33Å; I471-M486 HydrophobicContact CG2-CG 4.31Å; I471-M486 HydrophobicContact CG2-SD 3.58Å; I471-M486 VanDerWaalsContact CG2-SD 3.58Å; I471-F489 HydrophobicContact CD1-CD2 3.54Å; I471-F489 HydrophobicContact CD1-CE2 3.94Å; I471-F489 HydrophobicContact CD1-CG 4.09Å; I471-F489 HydrophobicContact CG1-CD2 3.88Å; I471-F489 HydrophobicContact CG1-CE2 3.96Å; I471-L519 HydrophobicContact CD1-CD1 4.34Å; I471-F522 HydrophobicContact CG2-CE1 3.91Å
472	T	46.8	Very low	48.5	Very low	50 Å²	50	51.2 Å²	51.2	31%	0.307	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-35.8	-178.1	48.8	0	0	0	0	113.6	L468 H469 F522	L468-T472 PolarHBondContact O-N 3.41Å; L468-T472 PolarHBondContact O-OG1 2.86Å; H469-T472 VanDerWaalsContact CA-OG1 3.29Å; H469-T472 WeakPolarHBondContact CA-OG1 3.33Å; H469-T472 PolarHBondContact O-N 3.44Å; H469-T472 VanDerWaalsContact O-N 3.07Å; H469-T472 PolarHBondContact O-OG1 3.31Å; T472-F522 HydrophobicContact CG2-CE1 4.44Å; T472-F522 HydrophobicContact CG2-CE2 3.65Å; T472-F522 HydrophobicContact CG2-CZ 3.51Å
473	T	46.6	Very low	48.8	Very low	33 Å²	33	52.7 Å²	52.7	20%	0.202	27%	0.273	C	S	.	.	H	α-helix	trans	-84.5	-44.9	-175	-56.5	0	0	0	0	111	A438 H469 I470 I471 A475 F476 F477	A438-T473 HydrophobicContact CB-CG2 3.92Å; H469-T473 PolarHBondContact CD2-OG1 3.5Å; H469-T473 VanDerWaalsContact CD2-OG1 3.27Å; H469-T473 PolarHBondContact CE1-OG1 3.42Å; H469-T473 PolarHBondContact NE2-OG1 3.03Å; H469-T473 WeakPolarHBondContact O-CB 3.32Å; H469-T473 PolarHBondContact O-N 2.7Å; H469-T473 PolarHBondContact O-OG1 2.96Å; H469-T473 VanDerWaalsContact O-OG1 3.08Å; I470-T473 PolarHBondContact O-N 2.89Å; I471-T473 VanDerWaalsContact C-N 3.3Å; I471-T473 PolarHBondContact O-N 3.4Å; T473-A475 VanDerWaalsContact C-N 3.3Å; T473-A475 PolarHBondContact O-N 3.24Å; T473-F476 VanDerWaalsContact O-CB 3.28Å; T473-F476 WeakPolarHBondContact O-CB 3.32Å; T473-F476 PolarHBondContact O-N 3.2Å; T473-F477 HydrophobicContact CG2-CE2 4.27Å; T473-F477 VanDerWaalsContact O-CD2 3.24Å; T473-F477 WeakPolarHBondContact O-CD2 3.45Å
474	V	50.4	Low	49	Very low	3 Å²	3	53.5 Å²	53.5	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-32.9	174.2	-174.6	0	0	0	0	110.2	F441 I470 F476 F477 D478 C482	F441-V474 HydrophobicContact CD1-CG2 4.01Å; F441-V474 HydrophobicContact CE1-CG1 4.49Å; F441-V474 HydrophobicContact CE1-CG2 4.41Å; I470-V474 HydrophobicContact CG2-CG2 3.64Å; I470-V474 WeakPolarHBondContact O-CA 3.32Å; I470-V474 WeakPolarHBondContact O-CB 3.34Å; I470-V474 WeakPolarHBondContact O-CG2 3.44Å; I470-V474 PolarHBondContact O-N 3.28Å; V474-F476 PolarHBondContact O-N 2.81Å; V474-F477 PolarHBondContact O-N 3.01Å; V474-D478 HydrophobicContact CG1-CB 4.44Å; V474-D478 PolarHBondContact O-N 3.27Å; V474-C482 WeakPolarHBondContact CG1-SG 3.41Å; V474-C482 PolarHBondContact O-SG 2.67Å; V474-C482 VanDerWaalsContact O-SG 3.37Å
475	A	49.5	Very low	49.1	Very low	26 Å²	26	52.6 Å²	52.6	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-18.5	177.3	0	0	0	0	0	112.6	I471 T473 C482	I471-A475 WeakPolarHBondContact O-CA 3.37Å; I471-A475 WeakPolarHBondContact O-CB 3.3Å; I471-A475 PolarHBondContact O-N 3.01Å; T473-A475 VanDerWaalsContact C-N 3.3Å; T473-A475 PolarHBondContact O-N 3.24Å; A475-C482 WeakPolarHBondContact CA-SG 3.21Å; A475-C482 HydrophobicContact CB-CB 4.32Å; A475-C482 PolarHBondContact N-SG 3.14Å
476	F	43	Very low	49.3	Very low	172 Å²	172	47.6 Å²	47.6	75%	0.754	26%	0.261	S	S	*	.	H	α-helix	trans	-80.2	-36.3	172.5	-167.2	-97.4	0	0	0	113.1	T473 V474	T473-F476 VanDerWaalsContact O-CB 3.28Å; T473-F476 WeakPolarHBondContact O-CB 3.32Å; T473-F476 PolarHBondContact O-N 3.2Å; V474-F476 PolarHBondContact O-N 2.81Å
477	F	48.5	Very low	49.5	Very low	146 Å²	146	48.2 Å²	48.2	64%	0.64	27%	0.269	S	S	*	.	H	α-helix	trans	-99.7	-31.8	-171.5	-68.4	-72.9	0	0	0	114.6	T473 V474	T473-F477 HydrophobicContact CG2-CE2 4.27Å; T473-F477 VanDerWaalsContact O-CD2 3.24Å; T473-F477 WeakPolarHBondContact O-CD2 3.45Å; V474-F477 PolarHBondContact O-N 3.01Å
478	D	48.3	Very low	49.6	Very low	52 Å²	52	52.3 Å²	52.3	28%	0.278	29%	0.287	S	S	.	.			trans	-143.2	103.6	-178.4	-179.2	6.6	0	0	0	111.2	V474 Q480 G481 C482	V474-D478 HydrophobicContact CG1-CB 4.44Å; V474-D478 PolarHBondContact O-N 3.27Å; D478-Q480 VanDerWaalsContact C-N 3.34Å; D478-Q480 PolarHBondContact OD1-N 3.12Å; D478-G481 VanDerWaalsContact CG-N 3.31Å; D478-G481 PolarHBondContact OD1-N 3.29Å; D478-G481 WeakPolarHBondContact OD2-CA 3.39Å; D478-G481 PolarHBondContact OD2-N 3.5Å; D478-C482 VanDerWaalsContact O-CB 3.28Å; D478-C482 WeakPolarHBondContact O-CB 3.29Å; D478-C482 PolarHBondContact O-N 2.86Å; D478-C482 VanDerWaalsContact O-N 3.09Å; D478-C482 PolarHBondContact O-SG 3.01Å
479	T	48.5	Very low	49.7	Very low	107 Å²	107	52 Å²	52	66%	0.656	29%	0.285	S	S	*	.	H	α-helix	trans	-67.6	-32.8	178.6	40.5	0	0	0	0	112.8	A483	T479-A483 PolarHBondContact O-N 3Å; T479-A483 VanDerWaalsContact O-N 3.07Å
480	Q	49.6	Very low	49.8	Very low	164 Å²	164	49.9 Å²	49.9	77%	0.766	28%	0.277	S	S	*	.	H	α-helix	trans	-80.8	-43.7	-174.4	-150.7	170.3	12.3	0	0	110.6	D478 C482 A483 S484	D478-Q480 VanDerWaalsContact C-N 3.34Å; D478-Q480 PolarHBondContact OD1-N 3.12Å; Q480-C482 PolarHBondContact O-N 2.97Å; Q480-A483 PolarHBondContact O-N 3.05Å; Q480-S484 PolarHBondContact O-N 3.08Å
481	G	50.3	Low	49.9	Very low	23 Å²	23	54.7 Å²	54.7	24%	0.237	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-36.9	168.5	0	0	0	0	0	112.2	D478 S484 L485	D478-G481 VanDerWaalsContact CG-N 3.31Å; D478-G481 PolarHBondContact OD1-N 3.29Å; D478-G481 WeakPolarHBondContact OD2-CA 3.39Å; D478-G481 PolarHBondContact OD2-N 3.5Å; G481-S484 PolarHBondContact O-N 3.49Å; G481-L485 VanDerWaalsContact O-CB 3.27Å; G481-L485 WeakPolarHBondContact O-CB 3.34Å; G481-L485 PolarHBondContact O-N 3.07Å
482	C	50.1	Low	49.8	Very low	2 Å²	2	56.6 Å²	56.6	1%	0.014	31%	0.31	C	S	.	.	H	α-helix	trans	-70.9	-35.8	177.1	-78.2	0	0	0	0	115.3	V474 A475 D478 Q480 S484 L485 M486	V474-C482 WeakPolarHBondContact CG1-SG 3.41Å; V474-C482 PolarHBondContact O-SG 2.67Å; V474-C482 VanDerWaalsContact O-SG 3.37Å; A475-C482 WeakPolarHBondContact CA-SG 3.21Å; A475-C482 HydrophobicContact CB-CB 4.32Å; A475-C482 PolarHBondContact N-SG 3.14Å; D478-C482 VanDerWaalsContact O-CB 3.28Å; D478-C482 WeakPolarHBondContact O-CB 3.29Å; D478-C482 PolarHBondContact O-N 2.86Å; D478-C482 VanDerWaalsContact O-N 3.09Å; D478-C482 PolarHBondContact O-SG 3.01Å; Q480-C482 PolarHBondContact O-N 2.97Å; C482-S484 VanDerWaalsContact C-N 3.32Å; C482-L485 PolarHBondContact O-N 3.49Å; C482-M486 WeakPolarHBondContact O-CB 3.5Å; C482-M486 WeakPolarHBondContact O-CG 3.48Å; C482-M486 PolarHBondContact O-N 3Å
483	A	49.8	Very low	49.9	Very low	46 Å²	46	54.4 Å²	54.4	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-44.6	174.4	0	0	0	0	0	110.7	T479 Q480 M486 G487	T479-A483 PolarHBondContact O-N 3Å; T479-A483 VanDerWaalsContact O-N 3.07Å; Q480-A483 PolarHBondContact O-N 3.05Å; A483-M486 PolarHBondContact O-N 3.08Å; A483-G487 PolarHBondContact O-N 2.89Å
484	S	50.9	Low	50	Low	68 Å²	68	56.8 Å²	56.8	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-46.6	174	179.9	0	0	0	0	111.8	Q480 G481 C482 M486 G487 H488	Q480-S484 PolarHBondContact O-N 3.08Å; G481-S484 PolarHBondContact O-N 3.49Å; C482-S484 VanDerWaalsContact C-N 3.32Å; S484-M486 PolarHBondContact O-N 3.15Å; S484-G487 PolarHBondContact O-N 3.27Å; S484-H488 PolarHBondContact O-N 2.84Å; S484-H488 PolarHBondContact O-ND1 3.08Å
485	L	52	Low	49.9	Very low	5 Å²	5	59.9 Å²	59.9	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-47.4	178	-169.5	69.7	0	0	0	111.6	F441 L453 I470 I471 G481 C482 H488 F489	F441-L485 HydrophobicContact CE2-CD1 4.41Å; F441-L485 HydrophobicContact CZ-CD1 3.93Å; L453-L485 HydrophobicContact CD1-CD1 3.93Å; L453-L485 HydrophobicContact CD2-CD1 3.72Å; L453-L485 HydrophobicContact CG-CD1 4.37Å; I470-L485 HydrophobicContact CG2-CD2 4.02Å; I471-L485 HydrophobicContact CG1-CD2 3.89Å; I471-L485 HydrophobicContact CG1-CG 4.36Å; G481-L485 VanDerWaalsContact O-CB 3.27Å; G481-L485 WeakPolarHBondContact O-CB 3.34Å; G481-L485 PolarHBondContact O-N 3.07Å; C482-L485 PolarHBondContact O-N 3.49Å; L485-H488 PolarHBondContact O-N 3.49Å; L485-F489 HydrophobicContact CD1-CD2 4.15Å; L485-F489 HydrophobicContact CD1-CE2 3.53Å; L485-F489 HydrophobicContact CD1-CZ 4.39Å; L485-F489 HydrophobicContact CD2-CE2 4.13Å; L485-F489 HydrophobicContact CG-CD2 3.79Å; L485-F489 HydrophobicContact CG-CE2 3.52Å; L485-F489 WeakPolarHBondContact O-CD2 3.46Å; L485-F489 PolarHBondContact O-N 3.45Å
486	M	52.7	Low	49.7	Very low	4 Å²	4	60.3 Å²	60.3	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-40	177.9	-73.9	-86.1	-71.6	0	0	112.1	I471 C482 A483 S484 F489 A490 L523 Y526 L537	I471-M486 HydrophobicContact CD1-SD 4.33Å; I471-M486 HydrophobicContact CG2-CG 4.31Å; I471-M486 HydrophobicContact CG2-SD 3.58Å; I471-M486 VanDerWaalsContact CG2-SD 3.58Å; C482-M486 WeakPolarHBondContact O-CB 3.5Å; C482-M486 WeakPolarHBondContact O-CG 3.48Å; C482-M486 PolarHBondContact O-N 3Å; A483-M486 PolarHBondContact O-N 3.08Å; S484-M486 PolarHBondContact O-N 3.15Å; M486-F489 PolarHBondContact O-N 3.19Å; M486-A490 WeakPolarHBondContact O-CB 3.29Å; M486-A490 PolarHBondContact O-N 2.74Å; M486-L523 HydrophobicContact CE-CD2 3.4Å; M486-L523 VanDerWaalsContact CE-CD2 3.4Å; M486-L523 HydrophobicContact SD-CD2 3.7Å; M486-Y526 HydrophobicContact CE-CD1 3.34Å; M486-Y526 HydrophobicContact CE-CE1 3.64Å; M486-Y526 HydrophobicContact CE-CG 4.04Å; M486-L537 HydrophobicContact CE-CD1 4.36Å
487	G	53.1	Low	49.9	Very low	19 Å²	19	55.4 Å²	55.4	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-50	174.2	0	0	0	0	0	111.7	A483 S484 F489 A490 Q491	A483-G487 PolarHBondContact O-N 2.89Å; S484-G487 PolarHBondContact O-N 3.27Å; G487-F489 VanDerWaalsContact C-N 3.34Å; G487-F489 PolarHBondContact O-N 3.18Å; G487-A490 PolarHBondContact O-N 3.02Å; G487-Q491 WeakPolarHBondContact O-CB 3.31Å; G487-Q491 PolarHBondContact O-N 3.16Å
488	H	51.5	Low	49.9	Very low	92 Å²	92	52.9 Å²	52.9	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-41.4	175	-73.8	95.1	0	0	0	112.1	S484 L485 Q491 V492	S484-H488 PolarHBondContact O-N 2.84Å; S484-H488 PolarHBondContact O-ND1 3.08Å; L485-H488 PolarHBondContact O-N 3.49Å; H488-Q491 WeakPolarHBondContact O-CB 3.28Å; H488-Q491 PolarHBondContact O-N 2.81Å; H488-V492 WeakPolarHBondContact O-CG2 3.37Å; H488-V492 PolarHBondContact O-N 3.39Å
489	F	52	Low	49.6	Very low	9 Å²	9	52.8 Å²	52.8	4%	0.039	30%	0.298	C	S	.	.	H	α-helix	trans	-69.3	-39	178	-81.3	-60.4	0	0	0	113.8	L453 V456 C467 I471 L485 M486 G487 Q491 V492 A493	L453-F489 HydrophobicContact CD2-CE1 4.38Å; L453-F489 HydrophobicContact CD2-CE2 4.05Å; L453-F489 HydrophobicContact CD2-CZ 3.67Å; V456-F489 HydrophobicContact CG1-CE1 4.06Å; V456-F489 HydrophobicContact CG2-CE1 3.95Å; V456-F489 HydrophobicContact CG2-CZ 4.38Å; C467-F489 HydrophobicContact CB-CD1 4.31Å; C467-F489 HydrophobicContact CB-CE1 3.47Å; C467-F489 VanDerWaalsContact CB-CE1 3.47Å; C467-F489 HydrophobicContact CB-CE2 4.22Å; C467-F489 HydrophobicContact CB-CZ 3.44Å; C467-F489 VanDerWaalsContact CB-CZ 3.44Å; C467-F489 WeakPolarHBondContact SG-CE1 3.35Å; C467-F489 VanDerWaalsContact SG-CZ 3.56Å; I471-F489 HydrophobicContact CD1-CD2 3.54Å; I471-F489 HydrophobicContact CD1-CE2 3.94Å; I471-F489 HydrophobicContact CD1-CG 4.09Å; I471-F489 HydrophobicContact CG1-CD2 3.88Å; I471-F489 HydrophobicContact CG1-CE2 3.96Å; L485-F489 HydrophobicContact CD1-CD2 4.15Å; L485-F489 HydrophobicContact CD1-CE2 3.53Å; L485-F489 HydrophobicContact CD1-CZ 4.39Å; L485-F489 HydrophobicContact CD2-CE2 4.13Å; L485-F489 HydrophobicContact CG-CD2 3.79Å; L485-F489 HydrophobicContact CG-CE2 3.52Å; L485-F489 WeakPolarHBondContact O-CD2 3.46Å; L485-F489 PolarHBondContact O-N 3.45Å; M486-F489 PolarHBondContact O-N 3.19Å; G487-F489 VanDerWaalsContact C-N 3.34Å; G487-F489 PolarHBondContact O-N 3.18Å; F489-Q491 VanDerWaalsContact C-N 3.28Å; F489-Q491 PolarHBondContact O-N 2.89Å; F489-V492 PolarHBondContact O-N 3.44Å; F489-A493 WeakPolarHBondContact O-CB 3.49Å; F489-A493 PolarHBondContact O-N 2.87Å
490	A	50.7	Low	49.2	Very low	9 Å²	9	48 Å²	48	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-39.9	173.8	0	0	0	0	0	110.6	M486 G487 A493 K494 L537 L540	M486-A490 WeakPolarHBondContact O-CB 3.29Å; M486-A490 PolarHBondContact O-N 2.74Å; G487-A490 PolarHBondContact O-N 3.02Å; A490-A493 PolarHBondContact O-N 3.44Å; A490-K494 VanDerWaalsContact O-CB 3.24Å; A490-K494 WeakPolarHBondContact O-CB 3.05Å; A490-K494 PolarHBondContact O-N 3.15Å; A490-L537 HydrophobicContact CB-CD2 3.71Å; A490-L540 HydrophobicContact CB-CD1 4.32Å; A490-L540 HydrophobicContact CB-CD2 4.15Å
491	Q	52.6	Low	48.8	Very low	118 Å²	118	47.9 Å²	47.9	55%	0.551	27%	0.268	S	S	*	.	H	α-helix	trans	-61.3	-44.6	172.5	-164.5	107	-12.1	0	0	111.6	G487 H488 F489 K494 T495	G487-Q491 WeakPolarHBondContact O-CB 3.31Å; G487-Q491 PolarHBondContact O-N 3.16Å; H488-Q491 WeakPolarHBondContact O-CB 3.28Å; H488-Q491 PolarHBondContact O-N 2.81Å; F489-Q491 VanDerWaalsContact C-N 3.28Å; F489-Q491 PolarHBondContact O-N 2.89Å; Q491-K494 PolarHBondContact O-N 3.4Å; Q491-T495 WeakPolarHBondContact O-CB 3.27Å; Q491-T495 WeakPolarHBondContact O-CG2 3.35Å; Q491-T495 PolarHBondContact O-N 2.93Å; Q491-T495 PolarHBondContact O-OG1 3.18Å
492	V	49.5	Very low	48.3	Very low	40 Å²	40	52.3 Å²	52.3	24%	0.242	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-46.3	175.5	171.2	0	0	0	0	111.3	V456 H488 F489 K494 T495 T496	V456-V492 HydrophobicContact CG1-CG1 3.82Å; V456-V492 HydrophobicContact CG1-CG2 4.37Å; H488-V492 WeakPolarHBondContact O-CG2 3.37Å; H488-V492 PolarHBondContact O-N 3.39Å; F489-V492 PolarHBondContact O-N 3.44Å; V492-K494 VanDerWaalsContact C-N 3.33Å; V492-K494 PolarHBondContact O-N 2.86Å; V492-T495 VanDerWaalsContact CA-OG1 3.29Å; V492-T495 WeakPolarHBondContact CA-OG1 3.32Å; V492-T495 PolarHBondContact O-N 3.38Å; V492-T495 PolarHBondContact O-OG1 3.21Å; V492-T495 VanDerWaalsContact O-OG1 3.05Å; V492-T496 VanDerWaalsContact O-CB 3.25Å; V492-T496 WeakPolarHBondContact O-CB 3.37Å; V492-T496 PolarHBondContact O-N 2.89Å; V492-T496 PolarHBondContact O-OG1 3.36Å
493	A	49	Very low	47.5	Very low	5 Å²	5	55.2 Å²	55.2	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-45.6	177.4	0	0	0	0	0	110.7	F489 A490 T496 M497 L516 L519	F489-A493 WeakPolarHBondContact O-CB 3.49Å; F489-A493 PolarHBondContact O-N 2.87Å; A490-A493 PolarHBondContact O-N 3.44Å; A493-T496 PolarHBondContact O-N 3.29Å; A493-M497 WeakPolarHBondContact O-CB 3.37Å; A493-M497 WeakPolarHBondContact O-CG 3.45Å; A493-M497 PolarHBondContact O-N 3.21Å; A493-L516 HydrophobicContact CB-CD2 4.48Å; A493-L519 HydrophobicContact CB-CD2 4.19Å
494	K	48.9	Very low	46.9	Very low	83 Å²	83	61.9 Å²	61.9	36%	0.361	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-52.6	175.7	178	175	171.1	178.9	0	111.9	A490 Q491 V492 T496 M497 E498 L540	A490-K494 VanDerWaalsContact O-CB 3.24Å; A490-K494 WeakPolarHBondContact O-CB 3.05Å; A490-K494 PolarHBondContact O-N 3.15Å; Q491-K494 PolarHBondContact O-N 3.4Å; V492-K494 VanDerWaalsContact C-N 3.33Å; V492-K494 PolarHBondContact O-N 2.86Å; K494-T496 VanDerWaalsContact C-N 3.28Å; K494-T496 PolarHBondContact O-N 3.25Å; K494-M497 CarbonylContact O-C 3.42Å; K494-M497 WeakPolarHBondContact O-CA 3.34Å; K494-M497 WeakPolarHBondContact O-CB 3.41Å; K494-M497 PolarHBondContact O-N 3.49Å; K494-M497 VanDerWaalsContact O-N 3.1Å; K494-E498 WeakPolarHBondContact CE-OE1 3.46Å; K494-E498 HydrophobicContact CG-CG 4.2Å; K494-E498 IonicContact NZ-OE1 3.09Å; K494-E498 WeakPolarHBondContact O-CB 3.48Å; K494-E498 WeakPolarHBondContact O-CG 3.39Å; K494-E498 PolarHBondContact O-N 3.44Å; K494-L540 HydrophobicContact CB-CD2 3.8Å; K494-L540 HydrophobicContact CD-CD2 3.48Å; K494-L540 VanDerWaalsContact CD-CD2 3.48Å; K494-L540 HydrophobicContact CD-CG 4.39Å; K494-L540 HydrophobicContact CG-CD2 4.26Å
495	T	47.5	Very low	46.3	Very low	68 Å²	68	62.4 Å²	62.4	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-37.2	178.8	44.9	0	0	0	0	112	Q491 V492 S499	Q491-T495 WeakPolarHBondContact O-CB 3.27Å; Q491-T495 WeakPolarHBondContact O-CG2 3.35Å; Q491-T495 PolarHBondContact O-N 2.93Å; Q491-T495 PolarHBondContact O-OG1 3.18Å; V492-T495 VanDerWaalsContact CA-OG1 3.29Å; V492-T495 WeakPolarHBondContact CA-OG1 3.32Å; V492-T495 PolarHBondContact O-N 3.38Å; V492-T495 PolarHBondContact O-OG1 3.21Å; V492-T495 VanDerWaalsContact O-OG1 3.05Å; T495-S499 WeakPolarHBondContact O-CB 3.33Å; T495-S499 PolarHBondContact O-N 3.33Å; T495-S499 PolarHBondContact O-OG 3.34Å
496	T	46.3	Very low	45.5	Very low	34 Å²	34	69.5 Å²	69.5	21%	0.209	37%	0.37	C	S	.	.	H	α-helix	trans	-64.8	-45	173.8	-49.2	0	0	0	0	109.9	V492 A493 K494 S499 L500 L516	V492-T496 VanDerWaalsContact O-CB 3.25Å; V492-T496 WeakPolarHBondContact O-CB 3.37Å; V492-T496 PolarHBondContact O-N 2.89Å; V492-T496 PolarHBondContact O-OG1 3.36Å; A493-T496 PolarHBondContact O-N 3.29Å; K494-T496 VanDerWaalsContact C-N 3.28Å; K494-T496 PolarHBondContact O-N 3.25Å; T496-S499 WeakPolarHBondContact CA-OG 3.22Å; T496-S499 PolarHBondContact O-N 2.83Å; T496-S499 PolarHBondContact O-OG 3.35Å; T496-L500 HydrophobicContact CG2-CD1 4.11Å; T496-L500 WeakPolarHBondContact O-CB 3.47Å; T496-L500 VanDerWaalsContact O-CD1 3.26Å; T496-L500 WeakPolarHBondContact O-CD1 3.14Å; T496-L500 WeakPolarHBondContact O-CG 3.41Å; T496-L500 PolarHBondContact O-N 2.9Å; T496-L516 HydrophobicContact CG2-CD1 3.74Å
497	M	45.4	Very low	44.9	Very low	69 Å²	69	73 Å²	73	34%	0.34	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-45.7	175.3	-75.5	176.6	57.2	0	0	113.2	A493 K494 S499 L500 E501 I520	A493-M497 WeakPolarHBondContact O-CB 3.37Å; A493-M497 WeakPolarHBondContact O-CG 3.45Å; A493-M497 PolarHBondContact O-N 3.21Å; K494-M497 CarbonylContact O-C 3.42Å; K494-M497 WeakPolarHBondContact O-CA 3.34Å; K494-M497 WeakPolarHBondContact O-CB 3.41Å; K494-M497 PolarHBondContact O-N 3.49Å; K494-M497 VanDerWaalsContact O-N 3.1Å; M497-S499 VanDerWaalsContact C-N 3.33Å; M497-S499 PolarHBondContact O-N 2.9Å; M497-L500 WeakPolarHBondContact O-CB 3.49Å; M497-L500 PolarHBondContact O-N 3.48Å; M497-L500 VanDerWaalsContact O-N 3.14Å; M497-E501 PolarHBondContact O-N 2.9Å; M497-I520 HydrophobicContact SD-CD1 3.82Å
498	E	48.4	Very low	44.2	Very low	93 Å²	93	80.3 Å²	80.3	44%	0.435	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-37.8	177	-72.7	177	159.9	0	0	111.1	K494 L500 E501 C502	K494-E498 WeakPolarHBondContact CE-OE1 3.46Å; K494-E498 HydrophobicContact CG-CG 4.2Å; K494-E498 IonicContact NZ-OE1 3.09Å; K494-E498 WeakPolarHBondContact O-CB 3.48Å; K494-E498 WeakPolarHBondContact O-CG 3.39Å; K494-E498 PolarHBondContact O-N 3.44Å; E498-L500 VanDerWaalsContact C-N 3.27Å; E498-L500 PolarHBondContact O-N 3.2Å; E498-E501 PolarHBondContact O-N 3.1Å; E498-C502 PolarHBondContact O-N 3.49Å
499	S	43.3	Very low	43.8	Very low	50 Å²	50	79.3 Å²	79.3	35%	0.35	42%	0.42	S	S	.	.	H	α-helix	trans	-64.7	-33.8	173.2	74.5	0	0	0	0	112.1	T495 T496 M497 C503	T495-S499 WeakPolarHBondContact O-CB 3.33Å; T495-S499 PolarHBondContact O-N 3.33Å; T495-S499 PolarHBondContact O-OG 3.34Å; T496-S499 WeakPolarHBondContact CA-OG 3.22Å; T496-S499 PolarHBondContact O-N 2.83Å; T496-S499 PolarHBondContact O-OG 3.35Å; M497-S499 VanDerWaalsContact C-N 3.33Å; M497-S499 PolarHBondContact O-N 2.9Å; S499-C503 WeakPolarHBondContact O-CB 3.27Å; S499-C503 PolarHBondContact O-N 2.81Å; S499-C503 PolarHBondContact O-SG 3.15Å
500	L	40.6	Very low	43	Very low	8 Å²	8	82.2 Å²	82.2	4%	0.042	43%	0.431	C	S	.	.	H	α-helix	trans	-74.2	-31.7	176.9	-74	158.4	0	0	0	112.9	T496 M497 E498 Q509 V513 F566	T496-L500 HydrophobicContact CG2-CD1 4.11Å; T496-L500 WeakPolarHBondContact O-CB 3.47Å; T496-L500 VanDerWaalsContact O-CD1 3.26Å; T496-L500 WeakPolarHBondContact O-CD1 3.14Å; T496-L500 WeakPolarHBondContact O-CG 3.41Å; T496-L500 PolarHBondContact O-N 2.9Å; M497-L500 WeakPolarHBondContact O-CB 3.49Å; M497-L500 PolarHBondContact O-N 3.48Å; M497-L500 VanDerWaalsContact O-N 3.14Å; E498-L500 VanDerWaalsContact C-N 3.27Å; E498-L500 PolarHBondContact O-N 3.2Å; L500-Q509 HydrophobicContact CD2-CB 3.81Å; L500-V513 HydrophobicContact CD1-CB 4.36Å; L500-V513 HydrophobicContact CD1-CG1 4.39Å; L500-V513 HydrophobicContact CD1-CG2 3.46Å; L500-V513 VanDerWaalsContact CD1-CG2 3.46Å; L500-V513 HydrophobicContact CD2-CG2 3.62Å; L500-V513 HydrophobicContact CG-CG2 4.18Å; L500-F566 HydrophobicContact CB-CZ 4.26Å
501	E	40.9	Very low	42.5	Very low	161 Å²	161	85.4 Å²	85.4	75%	0.752	45%	0.451	S	S	*	.	H	α-helix	trans	-72.5	-36.4	172.1	-76.1	-174.8	167.3	0	0	112.1	M497 E498	M497-E501 PolarHBondContact O-N 2.9Å; E498-E501 PolarHBondContact O-N 3.1Å
502	C	39.3	Very low	42	Very low	115 Å²	115	84.1 Å²	84.1	78%	0.777	44%	0.443	S	S	*	.	H	α-helix	trans	-76.7	-31.2	179.9	-89.4	0	0	0	0	113.7	E498 Q504	E498-C502 PolarHBondContact O-N 3.49Å; C502-Q504 PolarHBondContact O-N 3.3Å
503	C	33.3	Very low	41.7	Very low	63 Å²	63	83.2 Å²	83.2	43%	0.426	44%	0.438	S	S	.	.	S	Bend	trans	-88.3	111.7	179	-70.1	0	0	0	0	109.7	S499 V505	S499-C503 WeakPolarHBondContact O-CB 3.27Å; S499-C503 PolarHBondContact O-N 2.81Å; S499-C503 PolarHBondContact O-SG 3.15Å; C503-V505 WeakPolarHBondContact O-CA 3.29Å; C503-V505 PolarHBondContact O-N 3.38Å
504	Q	37.6	Very low	41.3	Very low	187 Å²	187	87.2 Å²	87.2	87%	0.874	46%	0.458	S	S	*	.			trans	-42	114.5	160.5	-71.5	175.7	-22.7	0	0	108.1	C502 E506	C502-Q504 PolarHBondContact O-N 3.3Å; Q504-E506 PolarHBondContact O-N 3.18Å
505	V	38.5	Very low	41.1	Very low	79 Å²	79	84.1 Å²	84.1	48%	0.479	45%	0.446	S	S	.	.			trans	-65.9	89.7	-153.4	-177.8	0	0	0	0	111.5	C503 F566	C503-V505 WeakPolarHBondContact O-CA 3.29Å; C503-V505 PolarHBondContact O-N 3.38Å; V505-F566 HydrophobicContact CG1-CE1 3.83Å; V505-F566 HydrophobicContact CG2-CE1 4.11Å; V505-F566 HydrophobicContact CG2-CZ 4.15Å
506	E	34.7	Very low	41.1	Very low	153 Å²	153	81.5 Å²	81.5	72%	0.715	43%	0.429	S	S	*	.			trans	-67.3	132.6	166.9	-73.5	-176.1	167.2	0	0	109.2	Q504 E508 Q509	Q504-E506 PolarHBondContact O-N 3.18Å; E506-E508 PolarHBondContact O-N 3.33Å; E506-Q509 PolarHBondContact O-N 3.3Å
507	S	39.2	Very low	41.2	Very low	79 Å²	79	81.9 Å²	81.9	55%	0.552	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-57.1	-11.4	-167.8	-86.9	0	0	0	0	116.1	K570	S507-K570 WeakPolarHBondContact OG-CE 3.49Å
508	E	40.3	Very low	41.3	Very low	171 Å²	171	79.3 Å²	79.3	80%	0.799	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-77.2	-18.5	-175.9	-64	-168.1	165.5	0	0	114	E506 P511	E506-E508 PolarHBondContact O-N 3.33Å; E508-P511 WeakPolarHBondContact O-CD 3.49Å
509	Q	42.6	Very low	41.3	Very low	72 Å²	72	75.2 Å²	75.2	34%	0.336	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-93.7	-5	-175.8	-58.7	-168.6	-0.8	0	0	114.9	L500 E506 K512	L500-Q509 HydrophobicContact CD2-CB 3.81Å; E506-Q509 PolarHBondContact O-N 3.3Å; Q509-K512 WeakPolarHBondContact O-CB 3.24Å; Q509-K512 PolarHBondContact O-N 3.3Å
510	Y	34.9	Very low	41.6	Very low	70 Å²	70	74.7 Å²	74.7	28%	0.275	40%	0.395	S	S	.	.	H	α-helix	trans	-50.6	-40.6	178.3	-170.2	-98.6	0	0	0	115	K512 V513 L514	Y510-K512 VanDerWaalsContact C-N 3.3Å; Y510-K512 PolarHBondContact O-N 3.18Å; Y510-V513 PolarHBondContact O-N 3.47Å; Y510-L514 HydrophobicContact CD1-CD1 3.9Å; Y510-L514 HydrophobicContact CE1-CD1 3.29Å; Y510-L514 HydrophobicContact CE2-CD1 4.49Å
511	P	39.6	Very low	42	Very low	76 Å²	76	77.4 Å²	77.4	49%	0.494	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-34.6	177.8	-19.2	32.1	0	0	0	112.6	E508 T515	E508-P511 WeakPolarHBondContact O-CD 3.49Å; P511-T515 VanDerWaalsContact O-CG2 3.26Å; P511-T515 WeakPolarHBondContact O-CG2 3.41Å; P511-T515 PolarHBondContact O-N 3.31Å; P511-T515 PolarHBondContact O-OG1 2.85Å; P511-T515 VanDerWaalsContact O-OG1 3.05Å
512	K	42	Very low	42.4	Very low	91 Å²	91	72 Å²	72	40%	0.396	38%	0.379	S	S	.	.	H	α-helix	trans	-69.5	-35.9	-176.7	-67.7	-174.6	176.6	-174	0	112.2	Q509 Y510 T515 L516	Q509-K512 WeakPolarHBondContact O-CB 3.24Å; Q509-K512 PolarHBondContact O-N 3.3Å; Y510-K512 VanDerWaalsContact C-N 3.3Å; Y510-K512 PolarHBondContact O-N 3.18Å; K512-T515 WeakPolarHBondContact CA-OG1 3.42Å; K512-T515 PolarHBondContact O-N 3.4Å; K512-T515 PolarHBondContact O-OG1 3.34Å; K512-L516 WeakPolarHBondContact O-CG 3.29Å; K512-L516 PolarHBondContact O-N 3.01Å
513	V	43.8	Very low	42.8	Very low	21 Å²	21	67.3 Å²	67.3	13%	0.127	35%	0.346	C	S	.	.	H	α-helix	trans	-71.2	-49.2	-178.5	-164.8	0	0	0	0	111.4	L500 Y510 T515 L516 C517 F566	L500-V513 HydrophobicContact CD1-CB 4.36Å; L500-V513 HydrophobicContact CD1-CG1 4.39Å; L500-V513 HydrophobicContact CD1-CG2 3.46Å; L500-V513 VanDerWaalsContact CD1-CG2 3.46Å; L500-V513 HydrophobicContact CD2-CG2 3.62Å; L500-V513 HydrophobicContact CG-CG2 4.18Å; Y510-V513 PolarHBondContact O-N 3.47Å; V513-T515 PolarHBondContact O-N 2.95Å; V513-L516 PolarHBondContact O-N 2.91Å; V513-C517 PolarHBondContact O-N 3.43Å; V513-F566 HydrophobicContact CG2-CE1 4.1Å; V513-F566 HydrophobicContact CG2-CZ 4.48Å
514	L	40.7	Very low	43.4	Very low	88 Å²	88	64.9 Å²	64.9	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-59.4	-28.7	176	-84.1	164	0	0	0	112.2	Y510 P518	Y510-L514 HydrophobicContact CD1-CD1 3.9Å; Y510-L514 HydrophobicContact CE1-CD1 3.29Å; Y510-L514 HydrophobicContact CE2-CD1 4.49Å; L514-P518 WeakPolarHBondContact O-CD 3.4Å
515	T	44	Very low	43.8	Very low	19 Å²	19	60.3 Å²	60.3	12%	0.117	31%	0.314	C	S	.	.	H	α-helix	trans	-75.7	-26	174.8	43.7	0	0	0	0	115	L461 P511 K512 V513 P518	L461-T515 HydrophobicContact CB-CG2 4.46Å; L461-T515 HydrophobicContact CD1-CG2 2.96Å; L461-T515 HydrophobicContact CG-CG2 4.25Å; P511-T515 VanDerWaalsContact O-CG2 3.26Å; P511-T515 WeakPolarHBondContact O-CG2 3.41Å; P511-T515 PolarHBondContact O-N 3.31Å; P511-T515 PolarHBondContact O-OG1 2.85Å; P511-T515 VanDerWaalsContact O-OG1 3.05Å; K512-T515 WeakPolarHBondContact CA-OG1 3.42Å; K512-T515 PolarHBondContact O-N 3.4Å; K512-T515 PolarHBondContact O-OG1 3.34Å; V513-T515 PolarHBondContact O-N 2.95Å; T515-P518 WeakPolarHBondContact O-CD 3.48Å
516	L	46.9	Very low	44.1	Very low	12 Å²	12	59.3 Å²	59.3	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-79.5	-27.2	176.5	-69.2	173.7	0	0	0	111.5	A493 T496 K512 V513 L519 I520	A493-L516 HydrophobicContact CB-CD2 4.48Å; T496-L516 HydrophobicContact CG2-CD1 3.74Å; K512-L516 WeakPolarHBondContact O-CG 3.29Å; K512-L516 PolarHBondContact O-N 3.01Å; V513-L516 PolarHBondContact O-N 2.91Å; L516-L519 HydrophobicContact CD2-CD2 3.86Å; L516-L519 CarbonylContact O-C 3.55Å; L516-L519 WeakPolarHBondContact O-CA 3.24Å; L516-L519 WeakPolarHBondContact O-CB 3.43Å; L516-L519 PolarHBondContact O-N 3.46Å; L516-I520 HydrophobicContact CB-CD1 4.19Å; L516-I520 WeakPolarHBondContact O-CB 3.47Å; L516-I520 VanDerWaalsContact O-CG1 3.28Å; L516-I520 WeakPolarHBondContact O-CG1 3.29Å; L516-I520 PolarHBondContact O-N 3.29Å
517	C	49.3	Very low	44.5	Very low	42 Å²	42	53.6 Å²	53.6	28%	0.284	28%	0.276	S	S	.	.	H	α-helix	trans	-53.4	-44.4	177.9	-66.4	0	0	0	0	113.3	V513 I520 R521	V513-C517 PolarHBondContact O-N 3.43Å; C517-I520 PolarHBondContact O-N 3.16Å; C517-R521 VanDerWaalsContact O-CB 3.28Å; C517-R521 WeakPolarHBondContact O-CB 3.34Å; C517-R521 PolarHBondContact O-N 3.3Å
518	P	47.7	Very low	44.6	Very low	16 Å²	16	53.1 Å²	53.1	10%	0.104	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-43.7	169	-33.9	41.2	0	0	0	115	L514 T515 R521 F522 F628	L514-P518 WeakPolarHBondContact O-CD 3.4Å; T515-P518 WeakPolarHBondContact O-CD 3.48Å; P518-R521 PolarHBondContact O-N 3.21Å; P518-F522 WeakPolarHBondContact O-CB 3.32Å; P518-F522 PolarHBondContact O-N 3.3Å; P518-F628 HydrophobicContact CB-CB 4.11Å; P518-F628 HydrophobicContact CB-CD1 3.45Å; P518-F628 VanDerWaalsContact CB-CD1 3.45Å; P518-F628 HydrophobicContact CB-CD2 4.35Å; P518-F628 HydrophobicContact CB-CE1 3.86Å; P518-F628 HydrophobicContact CB-CG 3.74Å; P518-F628 HydrophobicContact CB-CZ 4.44Å; P518-F628 HydrophobicContact CG-CB 3.65Å; P518-F628 HydrophobicContact CG-CD1 3.91Å; P518-F628 HydrophobicContact CG-CG 3.87Å
519	L	48.9	Very low	44.8	Very low	6 Å²	6	48.8 Å²	48.8	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-47.2	177.8	-174	80.6	0	0	0	110.1	L468 I471 A493 L516 R521 F522 L523	L468-L519 HydrophobicContact CD1-CD1 4.35Å; L468-L519 HydrophobicContact CD2-CD1 3.64Å; L468-L519 HydrophobicContact CG-CD1 3.62Å; I471-L519 HydrophobicContact CD1-CD1 4.34Å; A493-L519 HydrophobicContact CB-CD2 4.19Å; L516-L519 HydrophobicContact CD2-CD2 3.86Å; L516-L519 CarbonylContact O-C 3.55Å; L516-L519 WeakPolarHBondContact O-CA 3.24Å; L516-L519 WeakPolarHBondContact O-CB 3.43Å; L516-L519 PolarHBondContact O-N 3.46Å; L519-R521 VanDerWaalsContact C-N 3.31Å; L519-R521 PolarHBondContact O-N 3.01Å; L519-F522 PolarHBondContact O-N 2.94Å; L519-L523 HydrophobicContact CD2-CD1 4.45Å; L519-L523 HydrophobicContact CG-CD1 4.08Å; L519-L523 HydrophobicContact CG-CG 4.5Å; L519-L523 VanDerWaalsContact O-CB 3.3Å; L519-L523 WeakPolarHBondContact O-CB 2.82Å; L519-L523 WeakPolarHBondContact O-CG 3.35Å; L519-L523 PolarHBondContact O-N 3.45Å
520	I	48.7	Very low	44.7	Very low	39 Å²	39	50.9 Å²	50.9	20%	0.2	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-41.1	175.7	-64.5	164.2	0	0	0	110.4	M497 L516 C517 L523 G524	M497-I520 HydrophobicContact SD-CD1 3.82Å; L516-I520 HydrophobicContact CB-CD1 4.19Å; L516-I520 WeakPolarHBondContact O-CB 3.47Å; L516-I520 VanDerWaalsContact O-CG1 3.28Å; L516-I520 WeakPolarHBondContact O-CG1 3.29Å; L516-I520 PolarHBondContact O-N 3.29Å; C517-I520 PolarHBondContact O-N 3.16Å; I520-L523 PolarHBondContact O-N 3.27Å; I520-G524 PolarHBondContact O-N 3.14Å
521	R	49.1	Very low	45	Very low	65 Å²	65	56.9 Å²	56.9	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-66.5	-42	175.5	-171	175.6	75.6	162.7	-0.5	112	C517 P518 L519 G524 N525 L627 F628	C517-R521 VanDerWaalsContact O-CB 3.28Å; C517-R521 WeakPolarHBondContact O-CB 3.34Å; C517-R521 PolarHBondContact O-N 3.3Å; P518-R521 PolarHBondContact O-N 3.21Å; L519-R521 VanDerWaalsContact C-N 3.31Å; L519-R521 PolarHBondContact O-N 3.01Å; R521-G524 PolarHBondContact O-N 3.44Å; R521-N525 WeakPolarHBondContact O-CB 3.29Å; R521-N525 PolarHBondContact O-N 3.08Å; R521-L627 PolarHBondContact NH2-O 3.08Å; R521-F628 VanDerWaalsContact NH2-CD1 3.32Å
522	F	49	Very low	45.1	Very low	48 Å²	48	62.1 Å²	62.1	21%	0.211	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-45	175.7	177.2	-93.9	0	0	0	110.8	L468 I471 T472 P518 L519 G524 N525 Y526	L468-F522 HydrophobicContact CD2-CB 3.73Å; L468-F522 HydrophobicContact CD2-CD1 3.85Å; L468-F522 HydrophobicContact CD2-CG 3.76Å; I471-F522 HydrophobicContact CG2-CE1 3.91Å; T472-F522 HydrophobicContact CG2-CE1 4.44Å; T472-F522 HydrophobicContact CG2-CE2 3.65Å; T472-F522 HydrophobicContact CG2-CZ 3.51Å; P518-F522 WeakPolarHBondContact O-CB 3.32Å; P518-F522 PolarHBondContact O-N 3.3Å; L519-F522 PolarHBondContact O-N 2.94Å; F522-G524 VanDerWaalsContact C-N 3.29Å; F522-G524 PolarHBondContact O-N 3.4Å; F522-N525 CarbonylContact O-C 3.4Å; F522-N525 PolarHBondContact O-N 2.92Å; F522-N525 VanDerWaalsContact O-N 3.16Å; F522-Y526 HydrophobicContact CZ-CD2 4.38Å; F522-Y526 VanDerWaalsContact O-CB 3.26Å; F522-Y526 WeakPolarHBondContact O-CB 3.15Å; F522-Y526 PolarHBondContact O-N 3.31Å
523	L	47.7	Very low	45.2	Very low	16 Å²	16	61.2 Å²	61.2	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-56.7	-47	172.5	-73.5	168.9	0	0	0	109.7	M486 L519 I520 N525 Y526 L527	M486-L523 HydrophobicContact CE-CD2 3.4Å; M486-L523 VanDerWaalsContact CE-CD2 3.4Å; M486-L523 HydrophobicContact SD-CD2 3.7Å; L519-L523 HydrophobicContact CD2-CD1 4.45Å; L519-L523 HydrophobicContact CG-CD1 4.08Å; L519-L523 HydrophobicContact CG-CG 4.5Å; L519-L523 VanDerWaalsContact O-CB 3.3Å; L519-L523 WeakPolarHBondContact O-CB 2.82Å; L519-L523 WeakPolarHBondContact O-CG 3.35Å; L519-L523 PolarHBondContact O-N 3.45Å; I520-L523 PolarHBondContact O-N 3.27Å; L523-N525 PolarHBondContact O-N 3.45Å; L523-Y526 PolarHBondContact O-N 3.18Å; L523-L527 WeakPolarHBondContact O-CB 3.35Å; L523-L527 WeakPolarHBondContact O-CD1 3.5Å; L523-L527 WeakPolarHBondContact O-CG 3.26Å; L523-L527 PolarHBondContact O-N 3.29Å
524	G	46.6	Very low	45.2	Very low	13 Å²	13	62.9 Å²	62.9	13%	0.134	32%	0.321	C	S	.	.	H	α-helix	trans	-55	-50.1	173	0	0	0	0	0	112.3	I520 R521 F522 L528	I520-G524 PolarHBondContact O-N 3.14Å; R521-G524 PolarHBondContact O-N 3.44Å; F522-G524 VanDerWaalsContact C-N 3.29Å; F522-G524 PolarHBondContact O-N 3.4Å; G524-L528 WeakPolarHBondContact O-CB 3.42Å; G524-L528 WeakPolarHBondContact O-CD1 3.34Å; G524-L528 VanDerWaalsContact O-CG 3.31Å; G524-L528 WeakPolarHBondContact O-CG 3.25Å; G524-L528 PolarHBondContact O-N 3.04Å
525	N	44.6	Very low	45.4	Very low	90 Å²	90	63.4 Å²	63.4	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-67.1	-32	177.9	-78.1	-3.7	0	0	0	114	R521 F522 L523 L528 S529	R521-N525 WeakPolarHBondContact O-CB 3.29Å; R521-N525 PolarHBondContact O-N 3.08Å; F522-N525 CarbonylContact O-C 3.4Å; F522-N525 PolarHBondContact O-N 2.92Å; F522-N525 VanDerWaalsContact O-N 3.16Å; L523-N525 PolarHBondContact O-N 3.45Å; N525-L528 WeakPolarHBondContact O-CB 3.15Å; N525-L528 WeakPolarHBondContact OD1-CD1 3.2Å; N525-S529 PolarHBondContact O-N 3.06Å
526	Y	45.5	Very low	45.4	Very low	59 Å²	59	69.2 Å²	69.2	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-75.1	-46.6	177.5	-179.6	-91.9	0	0	0	110.2	M486 F522 L523 L528 S529 K530	M486-Y526 HydrophobicContact CE-CD1 3.34Å; M486-Y526 HydrophobicContact CE-CE1 3.64Å; M486-Y526 HydrophobicContact CE-CG 4.04Å; F522-Y526 HydrophobicContact CZ-CD2 4.38Å; F522-Y526 VanDerWaalsContact O-CB 3.26Å; F522-Y526 WeakPolarHBondContact O-CB 3.15Å; F522-Y526 PolarHBondContact O-N 3.31Å; L523-Y526 PolarHBondContact O-N 3.18Å; Y526-L528 PolarHBondContact O-N 3.33Å; Y526-S529 PolarHBondContact O-N 3.06Å; Y526-S529 PolarHBondContact O-OG 3.36Å; Y526-K530 HydrophobicContact CE1-CG 4.5Å; Y526-K530 HydrophobicContact CE2-CG 4.37Å; Y526-K530 PolarHBondContact O-N 3.29Å
527	L	44	Very low	45.1	Very low	32 Å²	32	69.1 Å²	69.1	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-56.6	-32.7	171.3	-70.2	169.2	0	0	0	111.4	L523 Q533 L537 V541	L523-L527 WeakPolarHBondContact O-CB 3.35Å; L523-L527 WeakPolarHBondContact O-CD1 3.5Å; L523-L527 WeakPolarHBondContact O-CG 3.26Å; L523-L527 PolarHBondContact O-N 3.29Å; L527-Q533 PolarHBondContact O-NE2 3.45Å; L527-L537 HydrophobicContact CD2-CB 3.96Å; L527-L537 HydrophobicContact CD2-CD1 4.1Å; L527-V541 HydrophobicContact CD1-CG2 4.46Å
528	L	41.2	Very low	44.9	Very low	69 Å²	69	69.8 Å²	69.8	36%	0.361	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.1	171.9	-101.8	161.2	0	0	0	114.5	G524 N525 Y526 R552	G524-L528 WeakPolarHBondContact O-CB 3.42Å; G524-L528 WeakPolarHBondContact O-CD1 3.34Å; G524-L528 VanDerWaalsContact O-CG 3.31Å; G524-L528 WeakPolarHBondContact O-CG 3.25Å; G524-L528 PolarHBondContact O-N 3.04Å; N525-L528 WeakPolarHBondContact O-CB 3.15Å; N525-L528 WeakPolarHBondContact OD1-CD1 3.2Å; Y526-L528 PolarHBondContact O-N 3.33Å; L528-R552 HydrophobicContact CD1-CG 4.16Å; L528-R552 HydrophobicContact CD2-CG 3.54Å; L528-R552 HydrophobicContact CG-CG 3.82Å
529	S	44.3	Very low	44.9	Very low	81 Å²	81	76.8 Å²	76.8	57%	0.566	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-14.2	-167.9	73.4	0	0	0	0	115.3	N525 Y526	N525-S529 PolarHBondContact O-N 3.06Å; Y526-S529 PolarHBondContact O-N 3.06Å; Y526-S529 PolarHBondContact O-OG 3.36Å
530	K	40.8	Very low	44.6	Very low	115 Å²	115	78.6 Å²	78.6	50%	0.5	40%	0.398	S	S	.	.			trans	-122.8	121.1	-173.7	-72	-79.5	-176.4	173.2	0	110.8	Y526	Y526-K530 HydrophobicContact CE1-CG 4.5Å; Y526-K530 HydrophobicContact CE2-CG 4.37Å; Y526-K530 PolarHBondContact O-N 3.29Å
531	E	40.1	Very low	44.3	Very low	197 Å²	197	80.4 Å²	80.4	92%	0.921	41%	0.41	S	S	*	.	S	Bend	trans	-71.6	-28.4	179.6	-70.5	179.7	160.3	0	0	113.3
532	E	41.5	Very low	43.9	Very low	185 Å²	185	80.5 Å²	80.5	86%	0.864	43%	0.431	S	S	*	.	S	Bend	trans	-95.7	111.1	-178.1	-71.5	-175.8	156.6	0	0	111.2
533	Q	45.3	Very low	43.3	Very low	73 Å²	73	81.3 Å²	81.3	34%	0.341	44%	0.438	S	S	.	.			trans	-108.8	135.6	-168.1	-65.8	-103.8	-19.9	0	0	112	L527 L538	L527-Q533 PolarHBondContact O-NE2 3.45Å; Q533-L538 HydrophobicContact CB-CD1 4.21Å; Q533-L538 HydrophobicContact CG-CD1 4.2Å; Q533-L538 VanDerWaalsContact OE1-CD1 3.3Å
534	P	43.4	Very low	42.9	Very low	56 Å²	56	89.6 Å²	89.6	36%	0.364	48%	0.476	S	S	.	.			trans	-74.8	121.4	153.8	18.1	-8.5	0	0	0	109	E536 L537	P534-E536 PolarHBondContact O-N 3.24Å; P534-L537 HydrophobicContact CG-CD1 3.97Å; P534-L537 PolarHBondContact O-N 2.97Å; P534-L537 VanDerWaalsContact O-N 3.08Å
535	S	44.2	Very low	42.3	Very low	99 Å²	99	101 Å²	101	69%	0.692	52%	0.515	S	S	*	.	H	α-helix	trans	-51.4	-23.9	-179.6	39.8	0	0	0	0	114.8	H539	S535-H539 PolarHBondContact O-N 3.18Å
536	E	43.9	Very low	42.3	Very low	140 Å²	140	100.1 Å²	100.1	65%	0.654	53%	0.527	S	S	*	.	H	α-helix	trans	-64.5	-37.6	178.1	-71.1	173.9	166.7	0	0	112.6	P534 L540	P534-E536 PolarHBondContact O-N 3.24Å; E536-L540 WeakPolarHBondContact O-CB 3.44Å; E536-L540 WeakPolarHBondContact O-CD1 3.24Å; E536-L540 PolarHBondContact O-N 3.34Å
537	L	41.6	Very low	42.2	Very low	10 Å²	10	101.1 Å²	101.1	5%	0.052	54%	0.537	C	S	.	.	H	α-helix	trans	-70.2	-39.9	-177.6	-79.7	170.1	0	0	0	112.8	M486 A490 L527 P534 L540 V541	M486-L537 HydrophobicContact CE-CD1 4.36Å; A490-L537 HydrophobicContact CB-CD2 3.71Å; L527-L537 HydrophobicContact CD2-CB 3.96Å; L527-L537 HydrophobicContact CD2-CD1 4.1Å; P534-L537 HydrophobicContact CG-CD1 3.97Å; P534-L537 PolarHBondContact O-N 2.97Å; P534-L537 VanDerWaalsContact O-N 3.08Å; L537-L540 PolarHBondContact O-N 3.45Å; L537-V541 PolarHBondContact O-N 2.98Å
538	L	44.7	Very low	42.1	Very low	56 Å²	56	106.1 Å²	106.1	29%	0.293	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-41.9	177.3	-77.7	162	0	0	0	111.8	Q533 L540 V541 G542 L543	Q533-L538 HydrophobicContact CB-CD1 4.21Å; Q533-L538 HydrophobicContact CG-CD1 4.2Å; Q533-L538 VanDerWaalsContact OE1-CD1 3.3Å; L538-L540 VanDerWaalsContact C-N 3.29Å; L538-L540 PolarHBondContact O-N 3.36Å; L538-V541 PolarHBondContact O-N 2.71Å; L538-G542 PolarHBondContact O-N 3.01Å; L538-G542 VanDerWaalsContact O-N 3.08Å; L538-L543 HydrophobicContact CD2-CB 4.49Å; L538-L543 PolarHBondContact O-N 3.05Å
539	H	47.6	Very low	42.1	Very low	163 Å²	163	108 Å²	108	76%	0.755	57%	0.569	S	S	*	*	H	α-helix	trans	-68.5	-30.4	177.9	-164	-71.2	0	0	0	112	S535 V541	S535-H539 PolarHBondContact O-N 3.18Å; H539-V541 VanDerWaalsContact C-N 3.31Å; H539-V541 PolarHBondContact O-N 3.4Å
540	L	42.2	Very low	42.1	Very low	44 Å²	44	108.5 Å²	108.5	23%	0.23	56%	0.563	C	S	.	*	H	α-helix	trans	-67.5	-28.1	174.8	-105.3	135	0	0	0	113.2	A490 K494 E536 L537 L538	A490-L540 HydrophobicContact CB-CD1 4.32Å; A490-L540 HydrophobicContact CB-CD2 4.15Å; K494-L540 HydrophobicContact CB-CD2 3.8Å; K494-L540 HydrophobicContact CD-CD2 3.48Å; K494-L540 VanDerWaalsContact CD-CD2 3.48Å; K494-L540 HydrophobicContact CD-CG 4.39Å; K494-L540 HydrophobicContact CG-CD2 4.26Å; E536-L540 WeakPolarHBondContact O-CB 3.44Å; E536-L540 WeakPolarHBondContact O-CD1 3.24Å; E536-L540 PolarHBondContact O-N 3.34Å; L537-L540 PolarHBondContact O-N 3.45Å; L538-L540 VanDerWaalsContact C-N 3.29Å; L538-L540 PolarHBondContact O-N 3.36Å
541	V	42.4	Very low	42.2	Very low	77 Å²	77	103.1 Å²	103.1	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-101.5	-4.6	-179.5	-172.5	0	0	0	0	112.8	L527 L537 L538 H539 I555	L527-V541 HydrophobicContact CD1-CG2 4.46Å; L537-V541 PolarHBondContact O-N 2.98Å; L538-V541 PolarHBondContact O-N 2.71Å; H539-V541 VanDerWaalsContact C-N 3.31Å; H539-V541 PolarHBondContact O-N 3.4Å; V541-I555 HydrophobicContact CG1-CD1 4.42Å; V541-I555 HydrophobicContact CG1-CG1 4.41Å
542	G	40.4	Very low	42.4	Very low	67 Å²	67	97.7 Å²	97.7	69%	0.691	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	28.3	170.9	0	0	0	0	0	115.3	L538	L538-G542 PolarHBondContact O-N 3.01Å; L538-G542 VanDerWaalsContact O-N 3.08Å
543	L	38.3	Very low	42.6	Very low	66 Å²	66	95 Å²	95	35%	0.346	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-100	137.6	177.4	-74	173.8	0	0	0	112.8	L538 I555	L538-L543 HydrophobicContact CD2-CB 4.49Å; L538-L543 PolarHBondContact O-N 3.05Å; L543-I555 HydrophobicContact CD1-CD1 3.66Å; L543-I555 HydrophobicContact CD1-CG1 4.27Å
544	E	38.8	Very low	42.7	Very low	190 Å²	190	95.2 Å²	95.2	89%	0.888	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-94	153.2	164.7	-67.5	-174.6	165.5	0	0	110.8	G546	E544-G546 PolarHBondContact O-N 3Å
545	R	34.2	Very low	42.9	Very low	252 Å²	252	94.4 Å²	94.4	95%	0.951	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	129.8	-180	-78.9	-177.9	173.1	-171.5	-2.9	111.7
546	G	44.1	Very low	43	Very low	71 Å²	71	92.7 Å²	92.7	73%	0.732	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	144	-22.6	158.5	0	0	0	0	0	118.1	E544	E544-G546 PolarHBondContact O-N 3Å
547	D	42.9	Very low	43.2	Very low	81 Å²	81	86.6 Å²	86.6	43%	0.433	44%	0.442	S	S	.	.			trans	-120.7	75.7	-175.5	-87.4	-17.2	0	0	0	110.7	E550 G551 R554	D547-E550 HydrophobicContact CB-CB 4.24Å; D547-G551 WeakPolarHBondContact O-CA 3.48Å; D547-G551 PolarHBondContact O-N 2.88Å; D547-R554 IonicContact OD2-CZ 3.59Å; D547-R554 IonicContact OD2-NH1 3.33Å; D547-R554 PolarHBondContact OD2-NH1 2.87Å; D547-R554 VanDerWaalsContact OD2-NH1 3.09Å; D547-R554 IonicContact OD2-NH2 4Å; D547-R554 PolarHBondContact OD2-NH2 3.14Å
548	E	41.7	Very low	43.6	Very low	136 Å²	136	93.4 Å²	93.4	64%	0.636	47%	0.467	S	S	*	.	H	α-helix	trans	-68.3	-57.3	-176.3	-68.4	-168.6	-168.8	0	0	112.2	E550 G551 R552	E548-E550 PolarHBondContact O-N 3.47Å; E548-G551 PolarHBondContact O-N 2.99Å; E548-R552 VanDerWaalsContact C-CD 3.47Å; E548-R552 WeakPolarHBondContact O-CB 3.16Å; E548-R552 WeakPolarHBondContact O-CD 3.44Å; E548-R552 WeakPolarHBondContact O-CG 3.3Å; E548-R552 PolarHBondContact O-N 3.39Å; E548-R552 PolarHBondContact O-NE 3.38Å; E548-R552 IonicContact OE2-CZ 2.84Å; E548-R552 IonicContact OE2-NH2 2.7Å; E548-R552 PolarHBondContact OE2-NH2 3.26Å
549	D	42.6	Very low	43.8	Very low	108 Å²	108	92.4 Å²	92.4	58%	0.578	47%	0.465	S	S	*	.	H	α-helix	trans	-62.4	-40.9	-179.4	-78.8	-22.6	0	0	0	114.1	R552 Q553	D549-R552 WeakPolarHBondContact OD1-CD 3.18Å; D549-R552 IonicContact OD1-CZ 3.36Å; D549-R552 IonicContact OD1-NE 2.7Å; D549-R552 IonicContact OD1-NH1 3.04Å; D549-R552 PolarHBondContact OD1-NH1 3.11Å; D549-Q553 PolarHBondContact O-N 2.91Å; D549-Q553 VanDerWaalsContact O-N 3.17Å
550	E	43.5	Very low	43.9	Very low	92 Å²	92	85.4 Å²	85.4	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-73.5	-40.6	176.4	-148.7	-177.3	150.8	0	0	111.1	D547 E548 R552 Q553 R554	D547-E550 HydrophobicContact CB-CB 4.24Å; E548-E550 PolarHBondContact O-N 3.47Å; E550-R552 VanDerWaalsContact C-N 3.29Å; E550-R552 PolarHBondContact O-N 3.36Å; E550-Q553 PolarHBondContact O-N 3.39Å; E550-R554 WeakPolarHBondContact O-CB 3.46Å; E550-R554 WeakPolarHBondContact O-CG 2.71Å; E550-R554 PolarHBondContact O-N 3.45Å; E550-R554 IonicContact OE1-CZ 3.96Å; E550-R554 IonicContact OE1-NE 2.77Å; E550-R554 IonicContact OE1-NH2 2.76Å; E550-R554 PolarHBondContact OE1-NH2 3.39Å; E550-R554 IonicContact OE2-NH2 3.53Å; E550-R554 PolarHBondContact OE2-NH2 3.04Å
551	G	43.4	Very low	44.2	Very low	3 Å²	3	85.3 Å²	85.3	3%	0.031	43%	0.431	C	S	.	.	H	α-helix	trans	-58.6	-39.2	172.7	0	0	0	0	0	112.7	D547 E548 R554 I555	D547-G551 WeakPolarHBondContact O-CA 3.48Å; D547-G551 PolarHBondContact O-N 2.88Å; E548-G551 PolarHBondContact O-N 2.99Å; G551-R554 PolarHBondContact O-N 3.36Å; G551-I555 WeakPolarHBondContact O-CG1 3.3Å; G551-I555 PolarHBondContact O-N 3.24Å
552	R	44.5	Very low	44.5	Very low	82 Å²	82	84.8 Å²	84.8	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-47.9	175.6	-69.4	151.5	-172.2	-161.8	-0.1	111.6	L528 E548 D549 E550 R554 I555 F556	L528-R552 HydrophobicContact CD1-CG 4.16Å; L528-R552 HydrophobicContact CD2-CG 3.54Å; L528-R552 HydrophobicContact CG-CG 3.82Å; E548-R552 VanDerWaalsContact C-CD 3.47Å; E548-R552 WeakPolarHBondContact O-CB 3.16Å; E548-R552 WeakPolarHBondContact O-CD 3.44Å; E548-R552 WeakPolarHBondContact O-CG 3.3Å; E548-R552 PolarHBondContact O-N 3.39Å; E548-R552 PolarHBondContact O-NE 3.38Å; E548-R552 IonicContact OE2-CZ 2.84Å; E548-R552 IonicContact OE2-NH2 2.7Å; E548-R552 PolarHBondContact OE2-NH2 3.26Å; D549-R552 WeakPolarHBondContact OD1-CD 3.18Å; D549-R552 IonicContact OD1-CZ 3.36Å; D549-R552 IonicContact OD1-NE 2.7Å; D549-R552 IonicContact OD1-NH1 3.04Å; D549-R552 PolarHBondContact OD1-NH1 3.11Å; E550-R552 VanDerWaalsContact C-N 3.29Å; E550-R552 PolarHBondContact O-N 3.36Å; R552-R554 VanDerWaalsContact C-N 3.34Å; R552-I555 PolarHBondContact O-N 3.01Å; R552-F556 PolarHBondContact O-N 3.47Å; R552-F556 VanDerWaalsContact O-N 3.13Å
553	Q	44.6	Very low	44.6	Very low	129 Å²	129	82.4 Å²	82.4	60%	0.603	40%	0.4	S	S	*	.	H	α-helix	trans	-65.1	-37.3	174.6	-68.9	-178.1	18.8	0	0	111.8	D549 E550 F556 A557	D549-Q553 PolarHBondContact O-N 2.91Å; D549-Q553 VanDerWaalsContact O-N 3.17Å; E550-Q553 PolarHBondContact O-N 3.39Å; Q553-F556 WeakPolarHBondContact O-CB 3.41Å; Q553-F556 PolarHBondContact O-N 2.74Å; Q553-A557 VanDerWaalsContact O-CB 3.31Å; Q553-A557 WeakPolarHBondContact O-CB 3.45Å; Q553-A557 PolarHBondContact O-N 3.18Å
554	R	47	Very low	44.8	Very low	77 Å²	77	79.5 Å²	79.5	29%	0.291	39%	0.385	S	S	.	.	H	α-helix	trans	-64.5	-44.5	176.2	-72.9	169.2	-171	162.2	3.3	112.1	D547 E550 G551 R552 F556 A557 R558 L653	D547-R554 IonicContact OD2-CZ 3.59Å; D547-R554 IonicContact OD2-NH1 3.33Å; D547-R554 PolarHBondContact OD2-NH1 2.87Å; D547-R554 VanDerWaalsContact OD2-NH1 3.09Å; D547-R554 IonicContact OD2-NH2 4Å; D547-R554 PolarHBondContact OD2-NH2 3.14Å; E550-R554 WeakPolarHBondContact O-CB 3.46Å; E550-R554 WeakPolarHBondContact O-CG 2.71Å; E550-R554 PolarHBondContact O-N 3.45Å; E550-R554 IonicContact OE1-CZ 3.96Å; E550-R554 IonicContact OE1-NE 2.77Å; E550-R554 IonicContact OE1-NH2 2.76Å; E550-R554 PolarHBondContact OE1-NH2 3.39Å; E550-R554 IonicContact OE2-NH2 3.53Å; E550-R554 PolarHBondContact OE2-NH2 3.04Å; G551-R554 PolarHBondContact O-N 3.36Å; R552-R554 VanDerWaalsContact C-N 3.34Å; R554-F556 VanDerWaalsContact C-N 3.28Å; R554-F556 PolarHBondContact O-N 3.35Å; R554-A557 PolarHBondContact O-N 3.13Å; R554-R558 VanDerWaalsContact O-CB 3.27Å; R554-R558 WeakPolarHBondContact O-CB 3.32Å; R554-R558 PolarHBondContact O-N 2.98Å; R554-L653 HydrophobicContact CG-CD1 4.4Å
555	I	47.5	Very low	45.1	Very low	40 Å²	40	74.3 Å²	74.3	21%	0.205	37%	0.37	C	S	.	.	H	α-helix	trans	-58.1	-45.4	173.2	-70.6	163.2	0	0	0	109.7	V541 L543 G551 R552 S559	V541-I555 HydrophobicContact CG1-CD1 4.42Å; V541-I555 HydrophobicContact CG1-CG1 4.41Å; L543-I555 HydrophobicContact CD1-CD1 3.66Å; L543-I555 HydrophobicContact CD1-CG1 4.27Å; G551-I555 WeakPolarHBondContact O-CG1 3.3Å; G551-I555 PolarHBondContact O-N 3.24Å; R552-I555 PolarHBondContact O-N 3.01Å; I555-S559 VanDerWaalsContact O-CB 3.29Å; I555-S559 WeakPolarHBondContact O-CB 3.43Å; I555-S559 PolarHBondContact O-N 2.65Å; I555-S559 PolarHBondContact O-OG 2.63Å
556	F	46.9	Very low	45.3	Very low	62 Å²	62	64.6 Å²	64.6	27%	0.272	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-48.6	-179.9	-166.6	-93.5	0	0	0	112.1	R552 Q553 R554 S559 F560 V635 L638	R552-F556 PolarHBondContact O-N 3.47Å; R552-F556 VanDerWaalsContact O-N 3.13Å; Q553-F556 WeakPolarHBondContact O-CB 3.41Å; Q553-F556 PolarHBondContact O-N 2.74Å; R554-F556 VanDerWaalsContact C-N 3.28Å; R554-F556 PolarHBondContact O-N 3.35Å; F556-S559 PolarHBondContact O-N 3.3Å; F556-F560 WeakPolarHBondContact O-CB 3.17Å; F556-F560 PolarHBondContact O-N 2.66Å; F556-V635 HydrophobicContact CE1-CB 4.15Å; F556-V635 HydrophobicContact CE1-CG1 4.25Å; F556-V635 HydrophobicContact CE1-CG2 3.53Å; F556-V635 HydrophobicContact CE2-CG2 4.5Å; F556-V635 HydrophobicContact CZ-CB 4.36Å; F556-V635 HydrophobicContact CZ-CG2 3.27Å; F556-L638 HydrophobicContact CE1-CD1 4.45Å
557	A	48.5	Very low	45	Very low	12 Å²	12	63.6 Å²	63.6	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-42.9	178.4	0	0	0	0	0	111.9	Q553 R554 F560 Q561 L638	Q553-A557 VanDerWaalsContact O-CB 3.31Å; Q553-A557 WeakPolarHBondContact O-CB 3.45Å; Q553-A557 PolarHBondContact O-N 3.18Å; R554-A557 PolarHBondContact O-N 3.13Å; A557-F560 PolarHBondContact O-N 2.68Å; A557-Q561 WeakPolarHBondContact O-CB 3.36Å; A557-Q561 WeakPolarHBondContact O-CG 3.49Å; A557-Q561 PolarHBondContact O-N 2.76Å; A557-L638 HydrophobicContact CB-CD2 4.23Å
558	R	50.1	Low	44.9	Very low	153 Å²	153	60.8 Å²	60.8	58%	0.577	30%	0.3	S	S	*	.	H	α-helix	trans	-62.9	-44.9	174.9	-168.2	100.5	178.8	-173.3	1.2	110.9	R554 F560 Q561 I562	R554-R558 VanDerWaalsContact O-CB 3.27Å; R554-R558 WeakPolarHBondContact O-CB 3.32Å; R554-R558 PolarHBondContact O-N 2.98Å; R558-F560 VanDerWaalsContact C-N 3.3Å; R558-F560 PolarHBondContact O-N 3.41Å; R558-Q561 PolarHBondContact O-N 3.02Å; R558-I562 HydrophobicContact CG-CD1 3.78Å; R558-I562 HydrophobicContact CG-CG1 4.39Å; R558-I562 WeakPolarHBondContact O-CB 3Å; R558-I562 WeakPolarHBondContact O-CD1 3.49Å; R558-I562 WeakPolarHBondContact O-CG1 3.31Å; R558-I562 PolarHBondContact O-N 3.38Å
559	S	48.8	Very low	44.5	Very low	35 Å²	35	56 Å²	56	25%	0.245	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-40.8	176.7	-58.1	0	0	0	0	111.5	I555 F556 G563	I555-S559 VanDerWaalsContact O-CB 3.29Å; I555-S559 WeakPolarHBondContact O-CB 3.43Å; I555-S559 PolarHBondContact O-N 2.65Å; I555-S559 PolarHBondContact O-OG 2.63Å; F556-S559 PolarHBondContact O-N 3.3Å; S559-G563 PolarHBondContact O-N 3.14Å
560	F	49.4	Very low	44	Very low	17 Å²	17	54.9 Å²	54.9	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-47	176.4	-174.8	-97.5	0	0	0	112.2	F556 A557 R558 G563 C564 Y631 V635 L638 L664	F556-F560 WeakPolarHBondContact O-CB 3.17Å; F556-F560 PolarHBondContact O-N 2.66Å; A557-F560 PolarHBondContact O-N 2.68Å; R558-F560 VanDerWaalsContact C-N 3.3Å; R558-F560 PolarHBondContact O-N 3.41Å; F560-G563 CarbonylContact O-C 3.58Å; F560-G563 WeakPolarHBondContact O-CA 3.08Å; F560-G563 PolarHBondContact O-N 3.11Å; F560-C564 WeakPolarHBondContact CE1-SG 3.49Å; F560-C564 PolarHBondContact O-N 3.32Å; F560-C564 PolarHBondContact O-SG 3.21Å; F560-Y631 HydrophobicContact CD2-CD1 4.13Å; F560-Y631 AromaticContact CD2-CE1 3.57Å; F560-Y631 HydrophobicContact CD2-CE1 3.57Å; F560-Y631 HydrophobicContact CE2-CD1 4.02Å; F560-Y631 AromaticContact CE2-CE1 3.56Å; F560-Y631 HydrophobicContact CE2-CE1 3.56Å; F560-Y631 HydrophobicContact CE2-CE2 4.36Å; F560-Y631 AromaticContact CE2-CZ 3.75Å; F560-V635 HydrophobicContact CD2-CG1 4.16Å; F560-V635 HydrophobicContact CE2-CG1 3.91Å; F560-V635 HydrophobicContact CZ-CG1 4.46Å; F560-L638 HydrophobicContact CB-CD1 4.45Å; F560-L638 HydrophobicContact CD1-CD1 3.86Å; F560-L638 HydrophobicContact CE1-CD1 4.25Å; F560-L638 HydrophobicContact CG-CD1 4.05Å; F560-L664 HydrophobicContact CE1-CD2 4.43Å; F560-L664 HydrophobicContact CE1-CG 4.41Å; F560-L664 HydrophobicContact CE2-CD2 4.37Å; F560-L664 HydrophobicContact CZ-CD2 3.83Å; F560-L664 HydrophobicContact CZ-CG 4.07Å
561	Q	49.1	Very low	43.3	Very low	42 Å²	42	57.7 Å²	57.7	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-39.8	176.9	-80.7	179.7	-17.7	0	0	112.6	A557 R558 G563 C564 S565	A557-Q561 WeakPolarHBondContact O-CB 3.36Å; A557-Q561 WeakPolarHBondContact O-CG 3.49Å; A557-Q561 PolarHBondContact O-N 2.76Å; R558-Q561 PolarHBondContact O-N 3.02Å; Q561-G563 VanDerWaalsContact C-N 3.34Å; Q561-C564 PolarHBondContact O-N 3.05Å; Q561-S565 VanDerWaalsContact O-CB 3.31Å; Q561-S565 WeakPolarHBondContact O-CB 3.45Å; Q561-S565 PolarHBondContact O-N 3.42Å; Q561-S565 PolarHBondContact O-OG 2.9Å
562	I	47.3	Very low	42.5	Very low	65 Å²	65	63.5 Å²	63.5	33%	0.333	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-45.5	173.3	-70.3	165.6	0	0	0	109.2	R558 C564 S565 F566	R558-I562 HydrophobicContact CG-CD1 3.78Å; R558-I562 HydrophobicContact CG-CG1 4.39Å; R558-I562 WeakPolarHBondContact O-CB 3Å; R558-I562 WeakPolarHBondContact O-CD1 3.49Å; R558-I562 WeakPolarHBondContact O-CG1 3.31Å; R558-I562 PolarHBondContact O-N 3.38Å; I562-C564 PolarHBondContact O-N 3.15Å; I562-S565 PolarHBondContact O-N 3.42Å; I562-F566 HydrophobicContact CG2-CD2 4.43Å; I562-F566 WeakPolarHBondContact O-CB 3.41Å; I562-F566 PolarHBondContact O-N 3.12Å
563	G	44	Very low	41.7	Very low	17 Å²	17	64.4 Å²	64.4	18%	0.175	32%	0.324	C	S	.	.	H	α-helix	trans	-56.3	-46.6	173.7	0	0	0	0	0	112.9	S559 F560 Q561 F566 V567	S559-G563 PolarHBondContact O-N 3.14Å; F560-G563 CarbonylContact O-C 3.58Å; F560-G563 WeakPolarHBondContact O-CA 3.08Å; F560-G563 PolarHBondContact O-N 3.11Å; Q561-G563 VanDerWaalsContact C-N 3.34Å; G563-F566 PolarHBondContact O-N 3.28Å; G563-V567 VanDerWaalsContact O-CG2 3.29Å; G563-V567 WeakPolarHBondContact O-CG2 3.36Å; G563-V567 PolarHBondContact O-N 3.35Å; G563-V567 VanDerWaalsContact O-N 3.16Å
564	C	42.8	Very low	40.7	Very low	5 Å²	5	64.8 Å²	64.8	3%	0.034	33%	0.33	C	S	.	.	H	α-helix	trans	-68.3	-46.2	179.8	-64.6	0	0	0	0	112.5	F560 Q561 I562 F566 V567 N568	F560-C564 WeakPolarHBondContact CE1-SG 3.49Å; F560-C564 PolarHBondContact O-N 3.32Å; F560-C564 PolarHBondContact O-SG 3.21Å; Q561-C564 PolarHBondContact O-N 3.05Å; I562-C564 PolarHBondContact O-N 3.15Å; C564-F566 VanDerWaalsContact C-N 3.26Å; C564-F566 PolarHBondContact O-N 3.02Å; C564-V567 PolarHBondContact O-N 3.2Å; C564-V567 VanDerWaalsContact O-N 3.15Å; C564-N568 PolarHBondContact O-N 3.39Å
565	S	43.9	Very low	39.7	Very low	81 Å²	81	68 Å²	68	57%	0.566	35%	0.352	S	S	*	.	H	α-helix	trans	-59	-38.1	177	-64.6	0	0	0	0	111.6	Q561 I562 N568 G569	Q561-S565 VanDerWaalsContact O-CB 3.31Å; Q561-S565 WeakPolarHBondContact O-CB 3.45Å; Q561-S565 PolarHBondContact O-N 3.42Å; Q561-S565 PolarHBondContact O-OG 2.9Å; I562-S565 PolarHBondContact O-N 3.42Å; S565-N568 PolarHBondContact O-N 3.14Å; S565-G569 PolarHBondContact O-N 3.26Å
566	F	38.8	Very low	38.6	Very low	48 Å²	48	70.3 Å²	70.3	21%	0.211	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-37.5	175.9	-113.8	-91.1	0	0	0	113.3	L500 V505 V513 I562 G563 C564 G569	L500-F566 HydrophobicContact CB-CZ 4.26Å; V505-F566 HydrophobicContact CG1-CE1 3.83Å; V505-F566 HydrophobicContact CG2-CE1 4.11Å; V505-F566 HydrophobicContact CG2-CZ 4.15Å; V513-F566 HydrophobicContact CG2-CE1 4.1Å; V513-F566 HydrophobicContact CG2-CZ 4.48Å; I562-F566 HydrophobicContact CG2-CD2 4.43Å; I562-F566 WeakPolarHBondContact O-CB 3.41Å; I562-F566 PolarHBondContact O-N 3.12Å; G563-F566 PolarHBondContact O-N 3.28Å; C564-F566 VanDerWaalsContact C-N 3.26Å; C564-F566 PolarHBondContact O-N 3.02Å; F566-G569 PolarHBondContact O-N 2.81Å
567	V	38.1	Very low	37.4	Very low	50 Å²	50	76.8 Å²	76.8	30%	0.303	40%	0.4	S	S	.	.	H	α-helix	trans	-65	-42.3	173.9	173.8	0	0	0	0	110.4	G563 C564 G569 K570	G563-V567 VanDerWaalsContact O-CG2 3.29Å; G563-V567 WeakPolarHBondContact O-CG2 3.36Å; G563-V567 PolarHBondContact O-N 3.35Å; G563-V567 VanDerWaalsContact O-N 3.16Å; C564-V567 PolarHBondContact O-N 3.2Å; C564-V567 VanDerWaalsContact O-N 3.15Å; V567-G569 PolarHBondContact O-N 3.48Å; V567-K570 PolarHBondContact O-N 3.38Å
568	N	39.3	Very low	36.2	Very low	23 Å²	23	84.6 Å²	84.6	12%	0.123	44%	0.435	C	S	.	.	H	α-helix	trans	-68.2	-30.6	178.7	-78.8	-8.3	0	0	0	113.6	C564 S565 K570 R571 L572 D659	C564-N568 PolarHBondContact O-N 3.39Å; S565-N568 PolarHBondContact O-N 3.14Å; N568-K570 PolarHBondContact O-N 2.93Å; N568-R571 WeakPolarHBondContact O-CA 3.45Å; N568-R571 PolarHBondContact O-N 2.75Å; N568-L572 PolarHBondContact O-N 2.84Å; N568-D659 WeakPolarHBondContact ND2-CB 3.41Å; N568-D659 VanDerWaalsContact ND2-CG 3.33Å; N568-D659 PolarHBondContact ND2-OD2 3.11Å
569	G	33.7	Very low	34.9	Very low	35 Å²	35	88.9 Å²	88.9	36%	0.361	45%	0.451	S	S	.	.	H	α-helix	trans	-50.8	-40.7	171.4	0	0	0	0	0	112.4	S565 F566 V567 R571 D573	S565-G569 PolarHBondContact O-N 3.26Å; F566-G569 PolarHBondContact O-N 2.81Å; V567-G569 PolarHBondContact O-N 3.48Å; G569-R571 PolarHBondContact O-N 3.42Å; G569-D573 PolarHBondContact O-N 3.04Å
570	K	32.7	Very low	33.7	Very low	85 Å²	85	97.4 Å²	97.4	37%	0.37	48%	0.483	S	S	.	.	H	α-helix	trans	-70.7	-27.9	173.3	-85.5	-167.4	172.7	-178.8	0	114.4	S507 V567 N568 N574	S507-K570 WeakPolarHBondContact OG-CE 3.49Å; V567-K570 PolarHBondContact O-N 3.38Å; N568-K570 PolarHBondContact O-N 2.93Å; K570-N574 PolarHBondContact O-N 3Å; K570-N574 PolarHBondContact O-ND2 3.42Å
571	R	28.1	Very low	32.4	Very low	151 Å²	151	107 Å²	107	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-76.7	-34.1	178.5	-134.7	179.8	-172.8	-177.4	3.1	111.3	N568 G569 E662	N568-R571 WeakPolarHBondContact O-CA 3.45Å; N568-R571 PolarHBondContact O-N 2.75Å; G569-R571 PolarHBondContact O-N 3.42Å; R571-E662 IonicContact NH1-OE1 2.71Å; R571-E662 PolarHBondContact NH1-OE1 3.02Å; R571-E662 IonicContact NH1-OE2 3.61Å
572	L	26.8	Very low	31.3	Very low	124 Å²	124	109.1 Å²	109.1	65%	0.649	55%	0.55	S	S	*	*	H	α-helix	trans	-71.2	-39.2	175.8	-97.3	129	0	0	0	112.8	N568 N574 L575	N568-L572 PolarHBondContact O-N 2.84Å; L572-N574 VanDerWaalsContact C-N 3.29Å; L572-N574 PolarHBondContact O-N 2.94Å; L572-L575 PolarHBondContact O-N 2.85Å; L572-L575 VanDerWaalsContact O-N 3.16Å
573	D	28	Very low	30.2	Very low	102 Å²	102	113.3 Å²	113.3	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-67.9	-31.6	177.6	-73.4	-20.4	0	0	0	112.5	G569 L575 S576	G569-D573 PolarHBondContact O-N 3.04Å; D573-L575 PolarHBondContact O-N 3.01Å; D573-S576 PolarHBondContact O-N 2.92Å; D573-S576 PolarHBondContact O-OG 3.22Å
574	N	24.5	Very low	29.4	Very low	136 Å²	136	120.7 Å²	120.7	73%	0.727	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-9.5	175.5	-76.9	-19.2	0	0	0	114.5	K570 L572	K570-N574 PolarHBondContact O-N 3Å; K570-N574 PolarHBondContact O-ND2 3.42Å; L572-N574 VanDerWaalsContact C-N 3.29Å; L572-N574 PolarHBondContact O-N 2.94Å
575	L	25.2	Very low	28.3	Very low	145 Å²	145	129 Å²	129	76%	0.759	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-10.6	173.8	-73.5	169.9	0	0	0	113.4	L572 D573	L572-L575 PolarHBondContact O-N 2.85Å; L572-L575 VanDerWaalsContact O-N 3.16Å; D573-L575 PolarHBondContact O-N 3.01Å
576	S	24.5	Very low	27.3	Very low	89 Å²	89	133.7 Å²	133.7	62%	0.622	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-4	-177.5	71.2	0	0	0	0	114.7	D573	D573-S576 PolarHBondContact O-N 2.92Å; D573-S576 PolarHBondContact O-OG 3.22Å
577	F	22.9	Very low	26.7	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.864	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	5.3	179.2	-131.2	-92.5	0	0	0	115.4
578	E	22.6	Very low	25.9	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.822	71%	0.71	S	S	*	*			trans	-106.3	87.7	171.2	-75.1	-166.1	158.9	0	0	111.4
579	R	23.1	Very low	25	Very low	244 Å²	244	147.3 Å²	147.3	92%	0.921	74%	0.744	S	S	*	*			trans	167.3	69.5	145.1	-91.4	164	-166.8	-166	6.6	111.6
580	K	23.3	Very low	24.7	Very low	213 Å²	213	150.3 Å²	150.3	93%	0.926	76%	0.76	S	S	*	*			trans	-130.4	72.5	147.6	-82.8	-173.2	178.7	172.5	0	109.2
581	K	21.8	Very low	24.2	Very low	219 Å²	219	153.5 Å²	153.5	95%	0.952	78%	0.78	S	S	*	*			trans	-86.7	95.9	157.9	-93.3	-178	173.9	175.3	0	107.6
582	A	26.5	Very low	24	Very low	87 Å²	87	153.3 Å²	153.3	72%	0.719	79%	0.79	S	S	*	*			trans	-147.4	96	157.7	0	0	0	0	0	104.8
583	N	22.8	Very low	23.8	Very low	153 Å²	153	155.1 Å²	155.1	82%	0.818	80%	0.795	S	S	*	*				55.9	94.5	112.4	-87.7	10.5	0	0	0	112
584	D	27.6	Very low	23.6	Very low	171 Å²	171	159.4 Å²	159.4	91%	0.914	81%	0.812	S	S	*	*			trans	-159.7	89.2	137	-86	-29.3	0	0	0	107.4
585	E	20.5	Very low	23.6	Very low	180 Å²	180	157.5 Å²	157.5	84%	0.841	82%	0.815	S	S	*	*			trans	-70.2	125.3	156.1	-69	176.5	160.9	0	0	107.4
586	Q	23.2	Very low	23.5	Very low	179 Å²	179	156.5 Å²	156.5	84%	0.836	82%	0.821	S	S	*	*			trans	143.7	100.8	150.1	-80.4	166.1	30.8	0	0	111
587	T	26	Very low	23.4	Very low	145 Å²	145	155.3 Å²	155.3	89%	0.89	82%	0.822	S	S	*	*				-176.7	114.9	120.3	26.4	0	0	0	0	108.6
588	A	20.8	Very low	23.3	Very low	83 Å²	83	153.4 Å²	153.4	69%	0.686	82%	0.821	S	S	*	*			trans	-72.6	139.6	161.7	0	0	0	0	0	109.5
589	H	21.5	Very low	23.3	Very low	180 Å²	180	152.6 Å²	152.6	83%	0.833	82%	0.822	S	S	*	*				164.4	148.1	122.6	-94.9	-68	0	0	0	114
590	S	25.7	Very low	23.3	Very low	98 Å²	98	149.8 Å²	149.8	69%	0.685	82%	0.819	S	S	*	*			trans	73.2	95.5	154.8	62	0	0	0	0	119.8
591	D	22.4	Very low	23.2	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	82%	0.816	S	S	*	*				22.2	126.3	111.5	-51.3	-29.1	0	0	0	118.2
592	L	24.8	Very low	23.2	Very low	147 Å²	147	144.4 Å²	144.4	77%	0.77	81%	0.81	S	S	*	*			trans	-176	119.8	133.2	-96	160.2	0	0	0	111.2
593	E	22.5	Very low	22.9	Very low	163 Å²	163	149.4 Å²	149.4	76%	0.762	82%	0.819	S	S	*	*			trans	49.3	111	136.9	-69	170.4	-175.1	0	0	120
594	E	22.5	Very low	22.9	Very low	191 Å²	191	147 Å²	147	89%	0.893	81%	0.814	S	S	*	*				69.5	104.9	88.2	-76	-164.3	177.5	0	0	115.1
595	A	26	Very low	22.6	Very low	97 Å²	97	145.6 Å²	145.6	80%	0.802	81%	0.811	S	S	*	*			trans	-166.9	105.6	142.8	0	0	0	0	0	111
596	S	23.2	Very low	22.6	Very low	124 Å²	124	144.5 Å²	144.5	87%	0.867	81%	0.811	S	S	*	*			trans	-52.4	155.8	147.7	49.2	0	0	0	0	110.6
597	G	21.9	Very low	22.6	Very low	63 Å²	63	141 Å²	141	65%	0.649	81%	0.807	S	S	*	*			cis	147.1	127.9	17.6	0	0	0	0	0	105.9
598	D	21.7	Very low	22.5	Very low	157 Å²	157	143 Å²	143	84%	0.84	80%	0.803	S	S	*	*			trans	-141.9	106.1	174	-74.1	-44	0	0	0	106.3
599	D	22.1	Very low	22.5	Very low	159 Å²	159	146 Å²	146	85%	0.85	81%	0.808	S	S	*	*				70	78.8	88.6	-87.4	-5.2	0	0	0	114
600	E	21.5	Very low	22.6	Very low	185 Å²	185	143.4 Å²	143.4	86%	0.864	81%	0.81	S	S	*	*			trans	-98	114.8	163.2	-72.6	-167.1	163.2	0	0	110.5
601	T	21.6	Very low	22.5	Very low	138 Å²	138	145.7 Å²	145.7	85%	0.847	82%	0.82	S	S	*	*			trans	-113.3	103	166.3	45.5	0	0	0	0	109.8
602	E	21.6	Very low	22.5	Very low	181 Å²	181	142 Å²	142	85%	0.846	82%	0.818	S	S	*	*			trans	-111.2	113.6	167.2	-74.2	-168.2	156.7	0	0	110.4
603	Q	20.9	Very low	22.5	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	83%	0.825	S	S	*	*			trans	-100.9	120.6	166.3	-77.2	-178.5	-8.1	0	0	109.3
604	S	22.5	Very low	22.4	Very low	102 Å²	102	145.7 Å²	145.7	71%	0.713	83%	0.832	S	S	*	*			trans	-108.1	121.8	170.8	59.1	0	0	0	0	109.1
605	V	21.8	Very low	22.5	Very low	141 Å²	141	142.7 Å²	142.7	86%	0.855	83%	0.831	S	S	*	*			trans	-115.8	128.5	169.1	174.5	0	0	0	0	109
606	D	20.6	Very low	22.3	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	83%	0.826	S	S	*	*			trans	-72.5	136.5	-175.4	-80	-48.1	0	0	0	113.6
607	S	23.3	Very low	22.4	Very low	106 Å²	106	141.5 Å²	141.5	74%	0.741	82%	0.822	S	S	*	*			trans	-75.1	145.9	162.6	51.6	0	0	0	0	112.5
608	K	22.7	Very low	22.5	Very low	187 Å²	187	145.7 Å²	145.7	81%	0.813	83%	0.829	S	S	*	*			trans	-154.7	130.6	152.9	-103.8	-178.2	-171.2	174.6	0	114.1
609	D	21.9	Very low	22.6	Very low	146 Å²	146	148.4 Å²	148.4	78%	0.781	83%	0.834	S	S	*	*			trans	69.5	98.2	140.6	-55.3	-24.3	0	0	0	120.3
610	S	24.1	Very low	22.7	Very low	126 Å²	126	146.4 Å²	146.4	88%	0.881	83%	0.827	S	S	*	*			trans	-128	127.3	148.8	60.8	0	0	0	0	110.6
611	T	22.6	Very low	23	Very low	146 Å²	146	143 Å²	143	90%	0.896	82%	0.819	S	S	*	*			trans	-106.9	138.3	176.3	46.1	0	0	0	0	110.9
612	G	23.4	Very low	23.3	Very low	74 Å²	74	139.7 Å²	139.7	76%	0.763	80%	0.801	S	S	*	*			trans	129.8	143.1	170.3	0	0	0	0	0	110.7
613	L	23.3	Very low	23.8	Very low	177 Å²	177	134 Å²	134	93%	0.927	78%	0.779	S	S	*	*			cis	-162.7	150.1	0.9	-161.3	75.2	0	0	0	105.8
614	K	21	Very low	24.4	Very low	209 Å²	209	128.4 Å²	128.4	91%	0.909	76%	0.755	S	S	*	*			trans	-64	133	-178	-67.6	169.9	171.7	177.5	0	112.4
615	C	24.4	Very low	24.9	Very low	128 Å²	128	126.6 Å²	126.6	87%	0.865	74%	0.741	S	S	*	*			trans	-140.1	124.4	146.2	-158.8	0	0	0	0	109.1
616	A	22.9	Very low	25.6	Very low	85 Å²	85	121 Å²	121	70%	0.702	71%	0.708	S	S	*	*			trans	-79.9	159.6	172.9	0	0	0	0	0	109.8
617	S	25.1	Very low	26.2	Very low	112 Å²	112	116 Å²	116	78%	0.783	68%	0.681	S	S	*	*			trans	75.5	72.2	176.8	80.5	0	0	0	0	117.1
618	D	23.4	Very low	26.9	Very low	150 Å²	150	113.9 Å²	113.9	80%	0.802	66%	0.659	S	S	*	*			trans	-151.8	103.3	136	-91.8	-30.7	0	0	0	107.7	V620	D618-V620 HydrophobicContact CB-CG2 4.43Å; D618-V620 PolarHBondContact O-N 3.43Å
619	K	23.9	Very low	27.9	Very low	214 Å²	214	113 Å²	113	93%	0.93	65%	0.65	S	S	*	*			trans	-77	56.4	172.2	-73.5	-178.3	177.4	178.8	0	109.1
620	V	24.4	Very low	29.1	Very low	117 Å²	117	106.7 Å²	106.7	71%	0.709	62%	0.616	S	S	*	*			trans	-85.1	111.6	164.3	-179.3	0	0	0	0	105.3	D618 S622	D618-V620 HydrophobicContact CB-CG2 4.43Å; D618-V620 PolarHBondContact O-N 3.43Å; V620-S622 VanDerWaalsContact C-N 3.34Å; V620-S622 PolarHBondContact O-N 3.23Å
621	V	27.5	Very low	30.6	Very low	114 Å²	114	104.8 Å²	104.8	69%	0.691	59%	0.59	S	S	*	*			trans	-57.3	96.9	179	-179	0	0	0	0	107.8	V623	V621-V623 VanDerWaalsContact C-N 3.33Å; V621-V623 HydrophobicContact CB-CG2 4.46Å; V621-V623 HydrophobicContact CG1-CG2 3.73Å; V621-V623 PolarHBondContact O-N 2.95Å
622	S	27.9	Very low	32.3	Very low	68 Å²	68	100.5 Å²	100.5	48%	0.476	56%	0.562	S	S	.	*			trans	-66.7	98.2	167.6	64.2	0	0	0	0	106.2	V620 N624 L627	V620-S622 VanDerWaalsContact C-N 3.34Å; V620-S622 PolarHBondContact O-N 3.23Å; S622-N624 PolarHBondContact O-N 3.42Å; S622-L627 WeakPolarHBondContact O-CD1 3.36Å
623	V	32.8	Very low	34.2	Very low	62 Å²	62	98.6 Å²	98.6	38%	0.376	53%	0.533	S	S	.	.			trans	-76.4	75.3	-178.9	-174.7	0	0	0	0	108.2	V621 F628	V621-V623 VanDerWaalsContact C-N 3.33Å; V621-V623 HydrophobicContact CB-CG2 4.46Å; V621-V623 HydrophobicContact CG1-CG2 3.73Å; V621-V623 PolarHBondContact O-N 2.95Å; V623-F628 HydrophobicContact CG1-CD2 4.3Å; V623-F628 HydrophobicContact CG1-CE2 3.2Å; V623-F628 HydrophobicContact CG1-CZ 3.58Å
624	N	31.9	Very low	36	Very low	76 Å²	76	92.5 Å²	92.5	41%	0.406	51%	0.509	S	S	.	.			trans	-66.5	128.9	176	-162.9	-33.3	0	0	0	108.6	S622 S626 L627	S622-N624 PolarHBondContact O-N 3.42Å; N624-S626 PolarHBondContact O-N 2.96Å; N624-S626 PolarHBondContact OD1-OG 3.49Å; N624-L627 HydrophobicContact CB-CD1 4.23Å; N624-L627 HydrophobicContact CB-CG 4.33Å; N624-L627 WeakPolarHBondContact O-CB 3.38Å; N624-L627 PolarHBondContact O-N 3.39Å
625	P	34.1	Very low	38	Very low	63 Å²	63	82.6 Å²	82.6	41%	0.409	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-54.8	-17.3	-177	15.7	-30.1	0	0	0	115.4
626	S	36.1	Very low	40.1	Very low	23 Å²	23	76.6 Å²	76.6	16%	0.161	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-69.8	-27.7	172.7	57.2	0	0	0	0	114	N624 F628 R629	N624-S626 PolarHBondContact O-N 2.96Å; N624-S626 PolarHBondContact OD1-OG 3.49Å; S626-F628 PolarHBondContact O-N 3.4Å; S626-R629 PolarHBondContact O-N 3.02Å
627	L	32.5	Very low	42.2	Very low	54 Å²	54	81 Å²	81	28%	0.283	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-64.1	-10	-174.7	-69.4	169.6	0	0	0	114.7	R521 S622 N624	R521-L627 PolarHBondContact NH2-O 3.08Å; S622-L627 WeakPolarHBondContact O-CD1 3.36Å; N624-L627 HydrophobicContact CB-CD1 4.23Å; N624-L627 HydrophobicContact CB-CG 4.33Å; N624-L627 WeakPolarHBondContact O-CB 3.38Å; N624-L627 PolarHBondContact O-N 3.39Å
628	F	38.6	Very low	44	Very low	61 Å²	61	76.7 Å²	76.7	27%	0.268	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-111.2	-10	-173.7	-68.4	-59	0	0	0	115	P518 R521 V623 S626	P518-F628 HydrophobicContact CB-CB 4.11Å; P518-F628 HydrophobicContact CB-CD1 3.45Å; P518-F628 VanDerWaalsContact CB-CD1 3.45Å; P518-F628 HydrophobicContact CB-CD2 4.35Å; P518-F628 HydrophobicContact CB-CE1 3.86Å; P518-F628 HydrophobicContact CB-CG 3.74Å; P518-F628 HydrophobicContact CB-CZ 4.44Å; P518-F628 HydrophobicContact CG-CB 3.65Å; P518-F628 HydrophobicContact CG-CD1 3.91Å; P518-F628 HydrophobicContact CG-CG 3.87Å; R521-F628 VanDerWaalsContact NH2-CD1 3.32Å; V623-F628 HydrophobicContact CG1-CD2 4.3Å; V623-F628 HydrophobicContact CG1-CE2 3.2Å; V623-F628 HydrophobicContact CG1-CZ 3.58Å; S626-F628 PolarHBondContact O-N 3.4Å
629	R	44.3	Very low	46.2	Very low	167 Å²	167	69.7 Å²	69.7	63%	0.63	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-30.9	174	-91.7	-172	179	-168.3	1.2	113.1	S626 Y631 C692 V693	S626-R629 PolarHBondContact O-N 3.02Å; R629-Y631 PolarHBondContact O-N 3.28Å; R629-C692 HydrophobicContact CB-CB 4.29Å; R629-V693 HydrophobicContact CB-CG2 4.45Å
630	E	47.7	Very low	48.3	Very low	15 Å²	15	65 Å²	65	7%	0.07	34%	0.339	C	S	.	.	S	Bend	trans	-75.2	118.7	175.2	178.8	159.1	-169.8	0	0	109.5	D632 V693 S694 T695 R696 F697	E630-D632 PolarHBondContact O-N 2.98Å; E630-V693 WeakPolarHBondContact CB-O 3.47Å; E630-V693 WeakPolarHBondContact CG-O 3.27Å; E630-S694 WeakPolarHBondContact OE1-CA 3.47Å; E630-S694 PolarHBondContact OE2-N 3.27Å; E630-T695 PolarHBondContact OE2-N 2.77Å; E630-R696 PolarHBondContact OE2-N 2.88Å; E630-F697 WeakPolarHBondContact OE1-CB 3.37Å; E630-F697 PolarHBondContact OE1-N 3.36Å
631	Y	54.9	Low	50.5	Low	86 Å²	86	61.6 Å²	61.6	34%	0.337	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-57.1	127.2	165.2	-76.8	-66	0	0	0	107.6	F560 R629 V635 K671	F560-Y631 HydrophobicContact CD2-CD1 4.13Å; F560-Y631 AromaticContact CD2-CE1 3.57Å; F560-Y631 HydrophobicContact CD2-CE1 3.57Å; F560-Y631 HydrophobicContact CE2-CD1 4.02Å; F560-Y631 AromaticContact CE2-CE1 3.56Å; F560-Y631 HydrophobicContact CE2-CE1 3.56Å; F560-Y631 HydrophobicContact CE2-CE2 4.36Å; F560-Y631 AromaticContact CE2-CZ 3.75Å; R629-Y631 PolarHBondContact O-N 3.28Å; Y631-V635 HydrophobicContact CD1-CG1 4.39Å; Y631-V635 HydrophobicContact CD1-CG2 3.96Å; Y631-V635 HydrophobicContact CG-CG2 4.3Å; Y631-K671 PolarHBondContact O-NZ 3.31Å
632	D	58.4	Low	52.5	Low	56 Å²	56	60.6 Å²	60.6	30%	0.299	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57.9	148.5	174.9	-162.1	-68.3	0	0	0	109.4	E630 A634 V635 R696	E630-D632 PolarHBondContact O-N 2.98Å; D632-A634 HydrophobicContact CB-CB 4.37Å; D632-A634 PolarHBondContact O-N 3.08Å; D632-A634 VanDerWaalsContact O-N 3.13Å; D632-A634 WeakPolarHBondContact OD1-CB 3.48Å; D632-A634 PolarHBondContact OD1-N 3.47Å; D632-V635 WeakPolarHBondContact O-CB 3.11Å; D632-V635 WeakPolarHBondContact O-CG2 3.33Å; D632-V635 PolarHBondContact O-N 3.39Å; D632-R696 IonicContact OD2-NH1 3.46Å
633	I	63.6	Low	54.3	Low	33 Å²	33	58 Å²	58	17%	0.169	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24.7	178.6	-46.2	174.7	0	0	0	110	V635 F636 F697 L700 F708	I633-V635 PolarHBondContact O-N 2.97Å; I633-V635 VanDerWaalsContact O-N 3.16Å; I633-F636 HydrophobicContact CG2-CD2 4.21Å; I633-F636 WeakPolarHBondContact O-CB 3.11Å; I633-F636 WeakPolarHBondContact O-CD2 3.47Å; I633-F636 PolarHBondContact O-N 3.26Å; I633-F636 VanDerWaalsContact O-N 3.07Å; I633-F697 HydrophobicContact CD1-CD2 3.87Å; I633-F697 HydrophobicContact CG1-CD2 4.11Å; I633-L700 HydrophobicContact CD1-CD1 3.17Å; I633-L700 HydrophobicContact CD1-CD2 3.79Å; I633-L700 HydrophobicContact CD1-CG 4.12Å; I633-F708 HydrophobicContact CG2-CD2 3.16Å; I633-F708 HydrophobicContact CG2-CE2 3.18Å; I633-F708 HydrophobicContact CG2-CG 3.95Å; I633-F708 HydrophobicContact CG2-CZ 4Å
634	A	60.9	Low	55.8	Low	49 Å²	49	55.4 Å²	55.4	41%	0.405	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-56.9	-23.9	169.9	0	0	0	0	0	114.1	D632 F636 R637	D632-A634 HydrophobicContact CB-CB 4.37Å; D632-A634 PolarHBondContact O-N 3.08Å; D632-A634 VanDerWaalsContact O-N 3.13Å; D632-A634 WeakPolarHBondContact OD1-CB 3.48Å; D632-A634 PolarHBondContact OD1-N 3.47Å; A634-F636 PolarHBondContact O-N 3.41Å; A634-R637 VanDerWaalsContact O-CB 3.23Å; A634-R637 WeakPolarHBondContact O-CB 3.31Å; A634-R637 WeakPolarHBondContact O-CG 3.2Å; A634-R637 PolarHBondContact O-N 2.88Å
635	V	63.6	Low	57.2	Low	1 Å²	1	54.9 Å²	54.9	1%	0.006	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-59.6	-32.3	175.2	178.9	0	0	0	0	111	F556 F560 Y631 D632 I633 R637 L638 L664	F556-V635 HydrophobicContact CE1-CB 4.15Å; F556-V635 HydrophobicContact CE1-CG1 4.25Å; F556-V635 HydrophobicContact CE1-CG2 3.53Å; F556-V635 HydrophobicContact CE2-CG2 4.5Å; F556-V635 HydrophobicContact CZ-CB 4.36Å; F556-V635 HydrophobicContact CZ-CG2 3.27Å; F560-V635 HydrophobicContact CD2-CG1 4.16Å; F560-V635 HydrophobicContact CE2-CG1 3.91Å; F560-V635 HydrophobicContact CZ-CG1 4.46Å; Y631-V635 HydrophobicContact CD1-CG1 4.39Å; Y631-V635 HydrophobicContact CD1-CG2 3.96Å; Y631-V635 HydrophobicContact CG-CG2 4.3Å; D632-V635 WeakPolarHBondContact O-CB 3.11Å; D632-V635 WeakPolarHBondContact O-CG2 3.33Å; D632-V635 PolarHBondContact O-N 3.39Å; I633-V635 PolarHBondContact O-N 2.97Å; I633-V635 VanDerWaalsContact O-N 3.16Å; V635-R637 PolarHBondContact O-N 3.06Å; V635-R637 VanDerWaalsContact O-N 3.15Å; V635-L638 HydrophobicContact CG1-CD1 4.02Å; V635-L638 WeakPolarHBondContact O-CB 3.47Å; V635-L638 WeakPolarHBondContact O-CG 3.25Å; V635-L638 PolarHBondContact O-N 2.93Å; V635-L664 HydrophobicContact CG1-CD2 3.48Å; V635-L664 VanDerWaalsContact CG1-CD2 3.48Å
636	F	68.4	Low	58.3	Low	2 Å²	2	59.6 Å²	59.6	1%	0.009	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.5	-12.9	177.5	-68.4	-72.3	0	0	0	113.5	I633 A634 L638 L639 L664 D667 L668 K671 F708 F711 V712	I633-F636 HydrophobicContact CG2-CD2 4.21Å; I633-F636 WeakPolarHBondContact O-CB 3.11Å; I633-F636 WeakPolarHBondContact O-CD2 3.47Å; I633-F636 PolarHBondContact O-N 3.26Å; I633-F636 VanDerWaalsContact O-N 3.07Å; A634-F636 PolarHBondContact O-N 3.41Å; F636-L638 PolarHBondContact O-N 2.63Å; F636-L639 HydrophobicContact CB-CD1 4.45Å; F636-L639 HydrophobicContact CD1-CD1 4.03Å; F636-L639 VanDerWaalsContact O-CB 3.25Å; F636-L639 WeakPolarHBondContact O-CB 3.3Å; F636-L639 WeakPolarHBondContact O-CG 3.35Å; F636-L639 PolarHBondContact O-N 2.84Å; F636-L664 WeakPolarHBondContact CE1-O 3.21Å; F636-D667 HydrophobicContact CZ-CB 4.44Å; F636-L668 HydrophobicContact CE1-CB 3.71Å; F636-L668 HydrophobicContact CE1-CD1 4.34Å; F636-L668 HydrophobicContact CZ-CB 3.84Å; F636-L668 HydrophobicContact CZ-CD1 4.21Å; F636-K671 HydrophobicContact CE2-CD 3.88Å; F636-K671 HydrophobicContact CZ-CD 4.21Å; F636-F708 HydrophobicContact CB-CE2 3.89Å; F636-F708 AromaticContact CD2-CE2 3.46Å; F636-F708 HydrophobicContact CD2-CE2 3.46Å; F636-F708 VanDerWaalsContact CD2-CE2 3.46Å; F636-F708 AromaticContact CD2-CZ 3.63Å; F636-F708 HydrophobicContact CD2-CZ 3.63Å; F636-F708 HydrophobicContact CE2-CE2 4.19Å; F636-F708 AromaticContact CE2-CZ 3.91Å; F636-F708 HydrophobicContact CE2-CZ 3.91Å; F636-F708 AromaticContact CG-CE2 3.8Å; F636-F708 HydrophobicContact CG-CE2 3.8Å; F636-F708 HydrophobicContact CG-CZ 4.03Å; F636-F711 WeakPolarHBondContact O-CE1 3.41Å; F636-V712 HydrophobicContact CB-CG2 4.04Å; F636-V712 HydrophobicContact CG-CG2 4.45Å
637	R	65.7	Low	58.9	Low	179 Å²	179	66 Å²	66	68%	0.675	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62	-20.8	168.8	-63.9	-175.9	-178.2	-169	1.1	112.6	A634 V635 L639 N640 F711	A634-R637 VanDerWaalsContact O-CB 3.23Å; A634-R637 WeakPolarHBondContact O-CB 3.31Å; A634-R637 WeakPolarHBondContact O-CG 3.2Å; A634-R637 PolarHBondContact O-N 2.88Å; V635-R637 PolarHBondContact O-N 3.06Å; V635-R637 VanDerWaalsContact O-N 3.15Å; R637-L639 PolarHBondContact O-N 2.93Å; R637-N640 VanDerWaalsContact O-CB 3.27Å; R637-N640 WeakPolarHBondContact O-CB 3.47Å; R637-N640 PolarHBondContact O-N 2.93Å; R637-F711 HydrophobicContact CG-CE1 4.46Å; R637-F711 HydrophobicContact CG-CZ 4.48Å
638	L	63.6	Low	59.4	Low	21 Å²	21	69.3 Å²	69.3	11%	0.11	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-57.1	-33.8	170.1	-68.1	-179.7	0	0	0	110.6	F556 A557 F560 V635 F636 N640 L641 I656 L664	F556-L638 HydrophobicContact CE1-CD1 4.45Å; A557-L638 HydrophobicContact CB-CD2 4.23Å; F560-L638 HydrophobicContact CB-CD1 4.45Å; F560-L638 HydrophobicContact CD1-CD1 3.86Å; F560-L638 HydrophobicContact CE1-CD1 4.25Å; F560-L638 HydrophobicContact CG-CD1 4.05Å; V635-L638 HydrophobicContact CG1-CD1 4.02Å; V635-L638 WeakPolarHBondContact O-CB 3.47Å; V635-L638 WeakPolarHBondContact O-CG 3.25Å; V635-L638 PolarHBondContact O-N 2.93Å; F636-L638 PolarHBondContact O-N 2.63Å; L638-N640 PolarHBondContact O-N 2.7Å; L638-L641 HydrophobicContact CD2-CD1 3.98Å; L638-L641 WeakPolarHBondContact O-CB 3.18Å; L638-L641 WeakPolarHBondContact O-CG 3.47Å; L638-L641 PolarHBondContact O-N 3.31Å; L638-I656 HydrophobicContact CB-CD1 3.6Å; L638-I656 WeakPolarHBondContact O-CD1 3.5Å; L638-L664 HydrophobicContact CB-CD1 4.12Å
639	L	68.5	Low	59.5	Low	3 Å²	3	69.5 Å²	69.5	2%	0.016	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-58.3	-9	175.2	-63.4	174.2	0	0	0	114.3	F636 R637 L641 L661 L664 V712 L715 H719	F636-L639 HydrophobicContact CB-CD1 4.45Å; F636-L639 HydrophobicContact CD1-CD1 4.03Å; F636-L639 VanDerWaalsContact O-CB 3.25Å; F636-L639 WeakPolarHBondContact O-CB 3.3Å; F636-L639 WeakPolarHBondContact O-CG 3.35Å; F636-L639 PolarHBondContact O-N 2.84Å; R637-L639 PolarHBondContact O-N 2.93Å; L639-L641 VanDerWaalsContact C-N 3.31Å; L639-L661 HydrophobicContact CD2-CD1 3.51Å; L639-L664 HydrophobicContact CD2-CB 4.49Å; L639-L664 HydrophobicContact CD2-CD1 3.96Å; L639-L664 HydrophobicContact CG-CD1 4.37Å; L639-V712 HydrophobicContact CD1-CG1 4.06Å; L639-V712 HydrophobicContact CD1-CG2 4.48Å; L639-L715 HydrophobicContact CB-CB 4.13Å; L639-L715 HydrophobicContact CB-CD1 4.02Å; L639-H719 PolarHBondContact O-NE2 2.95Å
640	N	69.6	Low	59.4	Low	115 Å²	115	69.2 Å²	69.2	62%	0.615	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-78.8	-13.9	171.3	-158.7	32.3	0	0	0	113.6	R637 L638	R637-N640 VanDerWaalsContact O-CB 3.27Å; R637-N640 WeakPolarHBondContact O-CB 3.47Å; R637-N640 PolarHBondContact O-N 2.93Å; L638-N640 PolarHBondContact O-N 2.7Å
641	L	69.8	Low	59	Low	46 Å²	46	70.7 Å²	70.7	24%	0.241	37%	0.373	C	S	.	.	S	Bend	trans	-80.1	149.3	175.1	-59.4	174.5	0	0	0	110.3	L638 L639 I656 H719	L638-L641 HydrophobicContact CD2-CD1 3.98Å; L638-L641 WeakPolarHBondContact O-CB 3.18Å; L638-L641 WeakPolarHBondContact O-CG 3.47Å; L638-L641 PolarHBondContact O-N 3.31Å; L639-L641 VanDerWaalsContact C-N 3.31Å; L641-I656 HydrophobicContact CB-CD1 3.94Å; L641-I656 HydrophobicContact CB-CG1 3.95Å; L641-I656 HydrophobicContact CD1-CD1 4.16Å; L641-I656 HydrophobicContact CD1-CG1 3.94Å; L641-I656 HydrophobicContact CG-CD1 4.47Å; L641-H719 PolarHBondContact O-CE1 2.84Å
642	D	68.5	Low	58.6	Low	93 Å²	93	69.1 Å²	69.1	50%	0.497	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	149.8	175.7	-67.7	-36.2	0	0	0	111.1	E655 I656 K718	D642-E655 CarbonylContact O-C 3.41Å; D642-E655 WeakPolarHBondContact O-CA 3.22Å; D642-I656 PolarHBondContact O-N 3.13Å; D642-K718 IonicContact OD1-NZ 3.51Å
643	V	66.2	Low	58.1	Low	12 Å²	12	70.5 Å²	70.5	7%	0.073	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.4	-178.2	176.4	0	0	0	0	110.8	F645 I656 I658 L661 H719	V643-F645 HydrophobicContact CB-CE2 4.36Å; V643-F645 HydrophobicContact CB-CZ 4.42Å; V643-F645 HydrophobicContact CG1-CE1 4.41Å; V643-F645 HydrophobicContact CG1-CE2 4.21Å; V643-F645 HydrophobicContact CG1-CZ 4.02Å; V643-I656 CarbonylContact C-O 3.13Å; V643-I656 WeakPolarHBondContact CA-O 3.39Å; V643-I658 HydrophobicContact CG1-CG1 3.74Å; V643-L661 HydrophobicContact CG2-CD2 4.04Å; V643-H719 WeakPolarHBondContact CG2-ND1 3.36Å
644	T	64.9	Low	57.5	Low	8 Å²	8	76.3 Å²	76.3	5%	0.049	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.4	172.2	29.5	0	0	0	0	112.8	C651 E655 I656 S657 I658	T644-C651 PolarHBondContact OG1-SG 2.7Å; T644-E655 HydrophobicContact CG2-CB 3.27Å; T644-E655 HydrophobicContact CG2-CG 3.55Å; T644-E655 WeakPolarHBondContact CG2-OE1 2.85Å; T644-E655 WeakPolarHBondContact CG2-OE2 3.45Å; T644-I656 PolarHBondContact N-O 2.66Å; T644-I656 VanDerWaalsContact OG1-C 3.28Å; T644-I656 PolarHBondContact OG1-O 3.37Å; T644-I656 VanDerWaalsContact OG1-O 3.07Å; T644-S657 PolarHBondContact OG1-N 2.98Å; T644-I658 WeakPolarHBondContact O-CG1 3.42Å
645	F	61.3	Low	57.6	Low	65 Å²	65	76.9 Å²	76.9	29%	0.285	40%	0.399	S	S	.	.			trans	-90.6	1.7	175.7	-59.4	-89.5	0	0	0	114	V643 I658 V723 N726 F727	V643-F645 HydrophobicContact CB-CE2 4.36Å; V643-F645 HydrophobicContact CB-CZ 4.42Å; V643-F645 HydrophobicContact CG1-CE1 4.41Å; V643-F645 HydrophobicContact CG1-CE2 4.21Å; V643-F645 HydrophobicContact CG1-CZ 4.02Å; F645-I658 HydrophobicContact CB-CD1 4.28Å; F645-I658 HydrophobicContact CD1-CD1 3.63Å; F645-I658 HydrophobicContact CD1-CG1 4.17Å; F645-I658 HydrophobicContact CE1-CD1 4.23Å; F645-I658 HydrophobicContact CE1-CG1 4.37Å; F645-I658 HydrophobicContact CG-CD1 4.23Å; F645-V723 HydrophobicContact CE1-CG2 4.39Å; F645-N726 HydrophobicContact CD1-CB 4.07Å; F645-N726 HydrophobicContact CE1-CB 3.75Å; F645-N726 HydrophobicContact CE2-CB 4.46Å; F645-N726 VanDerWaalsContact CE2-ND2 3.34Å; F645-N726 WeakPolarHBondContact CE2-ND2 3.47Å; F645-N726 HydrophobicContact CZ-CB 3.97Å; F645-N726 WeakPolarHBondContact CZ-ND2 3.37Å; F645-F727 HydrophobicContact CD1-CD2 4.04Å; F645-F727 AromaticContact CD1-CE2 3.25Å; F645-F727 HydrophobicContact CD1-CE2 3.25Å; F645-F727 AromaticContact CD1-CZ 3.65Å; F645-F727 HydrophobicContact CD1-CZ 3.65Å; F645-F727 AromaticContact CE1-CD2 3.96Å; F645-F727 HydrophobicContact CE1-CD2 3.96Å; F645-F727 AromaticContact CE1-CE2 3.49Å; F645-F727 HydrophobicContact CE1-CE2 3.49Å; F645-F727 VanDerWaalsContact CE1-CE2 3.49Å; F645-F727 HydrophobicContact CE1-CZ 4.34Å
646	K	56.6	Low	57.7	Low	162 Å²	162	77.4 Å²	77.4	70%	0.704	40%	0.402	S	S	*	.			trans	-85	113.9	179.8	-65.2	178.8	-176.7	169.4	0	110	T648	K646-T648 VanDerWaalsContact C-N 3.31Å; K646-T648 PolarHBondContact O-N 3.42Å
647	Q	49.6	Very low	57.7	Low	159 Å²	159	78.8 Å²	78.8	74%	0.743	41%	0.412	S	S	*	.			trans	-75.6	-13.5	-179.7	-74.1	-176.7	-8.9	0	0	114.4
648	T	42.4	Very low	57.8	Low	123 Å²	123	70.7 Å²	70.7	76%	0.755	38%	0.382	S	S	*	.	S	Bend	trans	-137.7	110.8	-163.6	56.2	0	0	0	0	111.9	K646	K646-T648 VanDerWaalsContact C-N 3.31Å; K646-T648 PolarHBondContact O-N 3.42Å
649	G	41.2	Very low	57.8	Low	65 Å²	65	72.8 Å²	72.8	67%	0.67	39%	0.393	S	S	*	.	S	Bend	trans	84.5	114.8	164	0	0	0	0	0	114.1
650	D	41.4	Very low	57.7	Low	161 Å²	161	72.7 Å²	72.7	86%	0.861	39%	0.394	S	S	*	.			trans	57.9	74	168.6	-56.5	-24.6	0	0	0	115	S652	D650-S652 PolarHBondContact O-N 3.29Å; D650-S652 VanDerWaalsContact O-N 3.08Å
651	C	40.6	Very low	57.8	Low	46 Å²	46	67.3 Å²	67.3	31%	0.311	37%	0.365	S	S	.	.			trans	-56.5	118.5	153.4	-79.4	0	0	0	0	106.9	T644	T644-C651 PolarHBondContact OG1-SG 2.7Å
652	S	46.8	Very low	57.9	Low	53 Å²	53	67.7 Å²	67.7	37%	0.371	37%	0.365	S	S	.	.			trans	-59.8	146.5	168.9	74.6	0	0	0	0	107.8	D650 K654 E655	D650-S652 PolarHBondContact O-N 3.29Å; D650-S652 VanDerWaalsContact O-N 3.08Å; S652-K654 PolarHBondContact O-N 2.88Å; S652-E655 PolarHBondContact O-N 2.9Å; S652-E655 VanDerWaalsContact O-N 3.07Å; S652-E655 VanDerWaalsContact OG-CD 3.26Å; S652-E655 PolarHBondContact OG-OE2 3.37Å
653	L	46	Very low	57.9	Low	84 Å²	84	66 Å²	66	44%	0.44	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-3.7	-178.1	-72.1	167	0	0	0	114	R554	R554-L653 HydrophobicContact CG-CD1 4.4Å
654	K	52.6	Low	58.1	Low	155 Å²	155	65.5 Å²	65.5	67%	0.674	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-3.5	179.5	-64	-170	175.6	-172.7	0	114.1	S652	S652-K654 PolarHBondContact O-N 2.88Å
655	E	63.1	Low	58.7	Low	61 Å²	61	65.2 Å²	65.2	29%	0.285	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.4	-169.8	-63.3	161.8	139.9	0	0	112.2	D642 T644 S652	D642-E655 CarbonylContact O-C 3.41Å; D642-E655 WeakPolarHBondContact O-CA 3.22Å; T644-E655 HydrophobicContact CG2-CB 3.27Å; T644-E655 HydrophobicContact CG2-CG 3.55Å; T644-E655 WeakPolarHBondContact CG2-OE1 2.85Å; T644-E655 WeakPolarHBondContact CG2-OE2 3.45Å; S652-E655 PolarHBondContact O-N 2.9Å; S652-E655 VanDerWaalsContact O-N 3.07Å; S652-E655 VanDerWaalsContact OG-CD 3.26Å; S652-E655 PolarHBondContact OG-OE2 3.37Å
656	I	65.3	Low	59.4	Low	13 Å²	13	63.6 Å²	63.6	7%	0.067	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.3	171.6	-76.5	171.7	0	0	0	109.7	L638 L641 D642 V643 T644 L661 L664	L638-I656 HydrophobicContact CB-CD1 3.6Å; L638-I656 WeakPolarHBondContact O-CD1 3.5Å; L641-I656 HydrophobicContact CB-CD1 3.94Å; L641-I656 HydrophobicContact CB-CG1 3.95Å; L641-I656 HydrophobicContact CD1-CD1 4.16Å; L641-I656 HydrophobicContact CD1-CG1 3.94Å; L641-I656 HydrophobicContact CG-CD1 4.47Å; D642-I656 PolarHBondContact O-N 3.13Å; V643-I656 CarbonylContact C-O 3.13Å; V643-I656 WeakPolarHBondContact CA-O 3.39Å; T644-I656 PolarHBondContact N-O 2.66Å; T644-I656 VanDerWaalsContact OG1-C 3.28Å; T644-I656 PolarHBondContact OG1-O 3.37Å; T644-I656 VanDerWaalsContact OG1-O 3.07Å; I656-L661 HydrophobicContact CG2-CB 4.19Å; I656-L664 HydrophobicContact CD1-CD1 4.25Å
657	S	67.9	Low	60.1	Low	31 Å²	31	56.4 Å²	56.4	22%	0.217	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	141.4	167.3	57.4	0	0	0	0	110.1	T644 D659 G660 L661	T644-S657 PolarHBondContact OG1-N 2.98Å; S657-D659 PolarHBondContact O-N 2.67Å; S657-D659 VanDerWaalsContact O-N 3.14Å; S657-G660 VanDerWaalsContact O-CA 3.32Å; S657-G660 WeakPolarHBondContact O-CA 3.42Å; S657-G660 PolarHBondContact O-N 3.23Å; S657-G660 PolarHBondContact OG-N 3.43Å; S657-L661 PolarHBondContact O-N 2.88Å; S657-L661 VanDerWaalsContact O-N 3.1Å
658	I	67.3	Low	61.5	Low	9 Å²	9	49 Å²	49	5%	0.046	29%	0.285	C	S	.	.	H	α-helix	trans	-51.8	-38.9	175.7	-62.1	152.2	0	0	0	112.3	V643 T644 F645 G660 L661 E662 F727 F734	V643-I658 HydrophobicContact CG1-CG1 3.74Å; T644-I658 WeakPolarHBondContact O-CG1 3.42Å; F645-I658 HydrophobicContact CB-CD1 4.28Å; F645-I658 HydrophobicContact CD1-CD1 3.63Å; F645-I658 HydrophobicContact CD1-CG1 4.17Å; F645-I658 HydrophobicContact CE1-CD1 4.23Å; F645-I658 HydrophobicContact CE1-CG1 4.37Å; F645-I658 HydrophobicContact CG-CD1 4.23Å; I658-G660 PolarHBondContact O-N 3.13Å; I658-L661 CarbonylContact O-C 3.47Å; I658-L661 WeakPolarHBondContact O-CA 3.35Å; I658-L661 WeakPolarHBondContact O-CB 3.2Å; I658-L661 PolarHBondContact O-N 3.05Å; I658-E662 PolarHBondContact O-N 2.76Å; I658-F727 HydrophobicContact CD1-CE2 3.57Å; I658-F727 HydrophobicContact CD1-CZ 3.54Å; I658-F727 HydrophobicContact CG1-CE2 4.49Å; I658-F734 HydrophobicContact CB-CE1 4.41Å; I658-F734 HydrophobicContact CD1-CZ 4.49Å; I658-F734 HydrophobicContact CG2-CD1 3.85Å; I658-F734 HydrophobicContact CG2-CE1 3.33Å; I658-F734 HydrophobicContact CG2-CZ 4.05Å
659	D	64.8	Low	63.2	Low	64 Å²	64	43.9 Å²	43.9	34%	0.342	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-37.8	177.1	-61.4	-24.2	0	0	0	111.6	N568 S657 L661 E662 H663	N568-D659 WeakPolarHBondContact ND2-CB 3.41Å; N568-D659 VanDerWaalsContact ND2-CG 3.33Å; N568-D659 PolarHBondContact ND2-OD2 3.11Å; S657-D659 PolarHBondContact O-N 2.67Å; S657-D659 VanDerWaalsContact O-N 3.14Å; D659-L661 VanDerWaalsContact C-N 3.35Å; D659-E662 PolarHBondContact O-N 3.33Å; D659-H663 PolarHBondContact O-N 3.24Å; D659-H663 PolarHBondContact O-ND1 3.34Å
660	G	66.7	Low	64.8	Low	2 Å²	2	45.3 Å²	45.3	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-39.2	172.2	0	0	0	0	0	112.3	S657 I658 H663 L664	S657-G660 VanDerWaalsContact O-CA 3.32Å; S657-G660 WeakPolarHBondContact O-CA 3.42Å; S657-G660 PolarHBondContact O-N 3.23Å; S657-G660 PolarHBondContact OG-N 3.43Å; I658-G660 PolarHBondContact O-N 3.13Å; G660-H663 PolarHBondContact O-N 3.09Å; G660-L664 VanDerWaalsContact O-CG 3.28Å; G660-L664 WeakPolarHBondContact O-CG 3.45Å; G660-L664 PolarHBondContact O-N 3.29Å
661	L	71.6	Confident	66.5	Low	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-44.7	173.1	-179.1	68.1	0	0	0	111.6	L639 V643 I656 S657 I658 D659 H663 L664 V665 H719 V723	L639-L661 HydrophobicContact CD2-CD1 3.51Å; V643-L661 HydrophobicContact CG2-CD2 4.04Å; I656-L661 HydrophobicContact CG2-CB 4.19Å; S657-L661 PolarHBondContact O-N 2.88Å; S657-L661 VanDerWaalsContact O-N 3.1Å; I658-L661 CarbonylContact O-C 3.47Å; I658-L661 WeakPolarHBondContact O-CA 3.35Å; I658-L661 WeakPolarHBondContact O-CB 3.2Å; I658-L661 PolarHBondContact O-N 3.05Å; D659-L661 VanDerWaalsContact C-N 3.35Å; L661-H663 VanDerWaalsContact C-N 3.3Å; L661-H663 PolarHBondContact O-N 3.13Å; L661-L664 PolarHBondContact O-N 3.42Å; L661-V665 HydrophobicContact CD1-CG2 4.23Å; L661-V665 HydrophobicContact CG-CG2 4.43Å; L661-V665 WeakPolarHBondContact O-CG2 3.43Å; L661-V665 PolarHBondContact O-N 3.4Å; L661-H719 HydrophobicContact CD1-CB 4.21Å; L661-H719 HydrophobicContact CD2-CB 4Å; L661-V723 HydrophobicContact CD2-CG2 4.06Å
662	E	70.2	Confident	68.2	Low	53 Å²	53	35.6 Å²	35.6	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-43	175.8	-173.4	-173.6	160.2	0	0	111.1	R571 I658 D659 G666	R571-E662 IonicContact NH1-OE1 2.71Å; R571-E662 PolarHBondContact NH1-OE1 3.02Å; R571-E662 IonicContact NH1-OE2 3.61Å; I658-E662 PolarHBondContact O-N 2.76Å; D659-E662 PolarHBondContact O-N 3.33Å; E662-G666 PolarHBondContact O-N 3.3Å
663	H	68.9	Low	69.7	Low	57 Å²	57	33.4 Å²	33.4	26%	0.264	17%	0.17	S	C	.	.	H	α-helix	trans	-66.3	-41.9	176.8	-77	86.2	0	0	0	112.7	D659 G660 L661 G666 D667	D659-H663 PolarHBondContact O-N 3.24Å; D659-H663 PolarHBondContact O-ND1 3.34Å; G660-H663 PolarHBondContact O-N 3.09Å; L661-H663 VanDerWaalsContact C-N 3.3Å; L661-H663 PolarHBondContact O-N 3.13Å; H663-G666 PolarHBondContact O-N 3.29Å; H663-D667 WeakPolarHBondContact O-CB 3.44Å; H663-D667 PolarHBondContact O-N 3.46Å
664	L	71.1	Confident	71	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-47.1	176.2	-72.7	172.7	0	0	0	111.1	F560 V635 F636 L638 L639 I656 G660 L661 D667 L668	F560-L664 HydrophobicContact CE1-CD2 4.43Å; F560-L664 HydrophobicContact CE1-CG 4.41Å; F560-L664 HydrophobicContact CE2-CD2 4.37Å; F560-L664 HydrophobicContact CZ-CD2 3.83Å; F560-L664 HydrophobicContact CZ-CG 4.07Å; V635-L664 HydrophobicContact CG1-CD2 3.48Å; V635-L664 VanDerWaalsContact CG1-CD2 3.48Å; F636-L664 WeakPolarHBondContact CE1-O 3.21Å; L638-L664 HydrophobicContact CB-CD1 4.12Å; L639-L664 HydrophobicContact CD2-CB 4.49Å; L639-L664 HydrophobicContact CD2-CD1 3.96Å; L639-L664 HydrophobicContact CG-CD1 4.37Å; I656-L664 HydrophobicContact CD1-CD1 4.25Å; G660-L664 VanDerWaalsContact O-CG 3.28Å; G660-L664 WeakPolarHBondContact O-CG 3.45Å; G660-L664 PolarHBondContact O-N 3.29Å; L661-L664 PolarHBondContact O-N 3.42Å; L664-D667 PolarHBondContact O-N 2.69Å; L664-L668 PolarHBondContact O-N 3.45Å
665	V	78	Confident	72.1	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-39.9	178.9	178.9	0	0	0	0	111.1	L661 D667 L668 D669 L716 L737 Y741	L661-V665 HydrophobicContact CD1-CG2 4.23Å; L661-V665 HydrophobicContact CG-CG2 4.43Å; L661-V665 WeakPolarHBondContact O-CG2 3.43Å; L661-V665 PolarHBondContact O-N 3.4Å; V665-D667 VanDerWaalsContact C-N 3.31Å; V665-D667 PolarHBondContact O-N 3.47Å; V665-L668 WeakPolarHBondContact O-CB 3.22Å; V665-L668 PolarHBondContact O-N 3.42Å; V665-D669 PolarHBondContact O-N 2.97Å; V665-L716 HydrophobicContact CG1-CD1 4.4Å; V665-L716 HydrophobicContact CG2-CD1 3.62Å; V665-L737 HydrophobicContact CB-CD1 4.03Å; V665-L737 HydrophobicContact CG1-CD1 3.65Å; V665-L737 HydrophobicContact CG2-CD1 4.45Å; V665-Y741 HydrophobicContact CG1-CD2 4.35Å; V665-Y741 HydrophobicContact CG1-CE2 3.35Å; V665-Y741 WeakPolarHBondContact CG1-OH 3.5Å
666	G	75.1	Confident	72.6	Confident	30 Å²	30	20.2 Å²	20.2	31%	0.309	11%	0.108	S	C	.	.	H	α-helix	trans	-62.8	-34.9	173.5	0	0	0	0	0	113.5	E662 H663 K670	E662-G666 PolarHBondContact O-N 3.3Å; H663-G666 PolarHBondContact O-N 3.29Å; G666-K670 WeakPolarHBondContact O-CG 3.43Å; G666-K670 PolarHBondContact O-N 2.85Å
667	D	72.1	Confident	72.6	Confident	11 Å²	11	20.2 Å²	20.2	6%	0.059	11%	0.11	C	C	.	.	H	α-helix	trans	-70.6	-40.8	172.7	-171.8	66.8	0	0	0	111.7	F636 H663 L664 V665 D669 K670 K671	F636-D667 HydrophobicContact CZ-CB 4.44Å; H663-D667 WeakPolarHBondContact O-CB 3.44Å; H663-D667 PolarHBondContact O-N 3.46Å; L664-D667 PolarHBondContact O-N 2.69Å; V665-D667 VanDerWaalsContact C-N 3.31Å; V665-D667 PolarHBondContact O-N 3.47Å; D667-D669 VanDerWaalsContact C-N 3.34Å; D667-D669 PolarHBondContact O-N 3.38Å; D667-K670 PolarHBondContact O-N 3.41Å; D667-K671 WeakPolarHBondContact O-CB 3.47Å; D667-K671 WeakPolarHBondContact O-CG 3.5Å; D667-K671 PolarHBondContact O-N 2.9Å; D667-K671 WeakPolarHBondContact OD2-CE 3.48Å; D667-K671 IonicContact OD2-NZ 3.58Å; D667-K671 PolarHBondContact OD2-NZ 3.19Å
668	L	79	Confident	71.9	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-47.8	173.4	-178.8	61.9	0	0	0	110.6	F636 L664 V665 K670 K671 M672 F708 V712 L716	F636-L668 HydrophobicContact CE1-CB 3.71Å; F636-L668 HydrophobicContact CE1-CD1 4.34Å; F636-L668 HydrophobicContact CZ-CB 3.84Å; F636-L668 HydrophobicContact CZ-CD1 4.21Å; L664-L668 PolarHBondContact O-N 3.45Å; V665-L668 WeakPolarHBondContact O-CB 3.22Å; V665-L668 PolarHBondContact O-N 3.42Å; L668-K670 PolarHBondContact O-N 2.98Å; L668-K671 PolarHBondContact O-N 3.19Å; L668-M672 HydrophobicContact CD1-CG 4.18Å; L668-M672 HydrophobicContact CD1-SD 4.34Å; L668-M672 HydrophobicContact CD2-SD 4.48Å; L668-M672 HydrophobicContact CG-CG 4.25Å; L668-M672 HydrophobicContact CG-SD 3.97Å; L668-M672 WeakPolarHBondContact O-CB 3.4Å; L668-M672 WeakPolarHBondContact O-CG 3.01Å; L668-M672 PolarHBondContact O-N 3.05Å; L668-F708 HydrophobicContact CD1-CE1 3.9Å; L668-F708 HydrophobicContact CD1-CZ 3.83Å; L668-V712 HydrophobicContact CD1-CG1 4.4Å; L668-V712 HydrophobicContact CD2-CG1 3.75Å; L668-L716 HydrophobicContact CD2-CD2 4.03Å
669	D	77.5	Confident	71	Confident	16 Å²	16	24.2 Å²	24.2	9%	0.086	14%	0.136	C	C	.	.	H	α-helix	trans	-54.5	-50.1	176	-81.4	-36.1	0	0	0	111.5	V665 D667 K671 M672 E673 Y741 R796	V665-D669 PolarHBondContact O-N 2.97Å; D667-D669 VanDerWaalsContact C-N 3.34Å; D667-D669 PolarHBondContact O-N 3.38Å; D669-K671 VanDerWaalsContact C-N 3.32Å; D669-K671 PolarHBondContact O-N 3.34Å; D669-M672 PolarHBondContact O-N 3.03Å; D669-E673 VanDerWaalsContact O-CB 3.31Å; D669-E673 WeakPolarHBondContact O-CB 3.48Å; D669-E673 VanDerWaalsContact O-CG 3.25Å; D669-E673 WeakPolarHBondContact O-CG 3.31Å; D669-E673 PolarHBondContact O-N 3.27Å; D669-Y741 PolarHBondContact OD1-OH 3.4Å; D669-R796 VanDerWaalsContact CG-CZ 3.47Å; D669-R796 VanDerWaalsContact CG-NH1 3.3Å; D669-R796 IonicContact OD1-CZ 2.98Å; D669-R796 IonicContact OD1-NE 2.68Å; D669-R796 IonicContact OD1-NH1 3.83Å; D669-R796 PolarHBondContact OD1-NH1 3.35Å; D669-R796 IonicContact OD1-NH2 2.87Å; D669-R796 IonicContact OD2-CZ 3.78Å; D669-R796 IonicContact OD2-NH1 2.66Å; D669-R796 PolarHBondContact OD2-NH1 3.3Å; D669-R796 IonicContact OD2-NH2 2.65Å; D669-R796 PolarHBondContact OD2-NH2 3.16Å
670	K	75.5	Confident	70.1	Confident	95 Å²	95	22 Å²	22	41%	0.413	12%	0.124	S	C	.	.	H	α-helix	trans	-60.8	-41.9	178.5	-73	178.4	-177.8	-171.4	0	111.7	G666 D667 L668 S674 D690	G666-K670 WeakPolarHBondContact O-CG 3.43Å; G666-K670 PolarHBondContact O-N 2.85Å; D667-K670 PolarHBondContact O-N 3.41Å; L668-K670 PolarHBondContact O-N 2.98Å; K670-S674 VanDerWaalsContact O-CB 3.28Å; K670-S674 WeakPolarHBondContact O-CB 3.2Å; K670-S674 PolarHBondContact O-N 3.13Å; K670-D690 IonicContact NZ-OD2 3.8Å
671	K	75.6	Confident	69.2	Low	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-44.3	177.5	-80.8	173.1	174.7	162.3	0	111.9	Y631 F636 D667 L668 D669 S674 R675 F697	Y631-K671 PolarHBondContact O-NZ 3.31Å; F636-K671 HydrophobicContact CE2-CD 3.88Å; F636-K671 HydrophobicContact CZ-CD 4.21Å; D667-K671 WeakPolarHBondContact O-CB 3.47Å; D667-K671 WeakPolarHBondContact O-CG 3.5Å; D667-K671 PolarHBondContact O-N 2.9Å; D667-K671 WeakPolarHBondContact OD2-CE 3.48Å; D667-K671 IonicContact OD2-NZ 3.58Å; D667-K671 PolarHBondContact OD2-NZ 3.19Å; L668-K671 PolarHBondContact O-N 3.19Å; D669-K671 VanDerWaalsContact C-N 3.32Å; D669-K671 PolarHBondContact O-N 3.34Å; K671-S674 WeakPolarHBondContact O-CB 3.16Å; K671-S674 PolarHBondContact O-N 2.94Å; K671-S674 PolarHBondContact O-OG 3.27Å; K671-R675 PolarHBondContact O-N 3.15Å; K671-F697 HydrophobicContact CB-CB 4.41Å; K671-F697 HydrophobicContact CB-CD1 3.64Å; K671-F697 HydrophobicContact CB-CD2 4.21Å; K671-F697 HydrophobicContact CB-CE1 3.87Å; K671-F697 HydrophobicContact CB-CE2 4.42Å; K671-F697 HydrophobicContact CB-CG 3.81Å; K671-F697 HydrophobicContact CB-CZ 4.26Å; K671-F697 HydrophobicContact CD-CB 4.36Å; K671-F697 HydrophobicContact CD-CD2 4.01Å; K671-F697 HydrophobicContact CD-CG 4.13Å; K671-F697 HydrophobicContact CG-CB 4.09Å; K671-F697 HydrophobicContact CG-CD1 4.25Å; K671-F697 HydrophobicContact CG-CD2 4.32Å; K671-F697 HydrophobicContact CG-CG 3.95Å; K671-F697 WeakPolarHBondContact O-CD1 3.26Å; K671-F697 WeakPolarHBondContact O-CE1 3.31Å
672	M	76.9	Confident	67.9	Low	4 Å²	4	30.6 Å²	30.6	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-58.5	-53.1	173.7	-71.6	-175.3	49.1	0	0	111.3	L668 D669 S674 R675 V676 Q799 L800 M803	L668-M672 HydrophobicContact CD1-CG 4.18Å; L668-M672 HydrophobicContact CD1-SD 4.34Å; L668-M672 HydrophobicContact CD2-SD 4.48Å; L668-M672 HydrophobicContact CG-CG 4.25Å; L668-M672 HydrophobicContact CG-SD 3.97Å; L668-M672 WeakPolarHBondContact O-CB 3.4Å; L668-M672 WeakPolarHBondContact O-CG 3.01Å; L668-M672 PolarHBondContact O-N 3.05Å; D669-M672 PolarHBondContact O-N 3.03Å; M672-S674 PolarHBondContact O-N 3.38Å; M672-R675 PolarHBondContact O-N 3.1Å; M672-R675 VanDerWaalsContact O-N 3.16Å; M672-V676 WeakPolarHBondContact O-CB 3.09Å; M672-V676 WeakPolarHBondContact O-CG2 3.38Å; M672-V676 PolarHBondContact O-N 2.84Å; M672-Q799 HydrophobicContact CE-CB 4.04Å; M672-L800 HydrophobicContact CE-CB 3.76Å; M672-L800 HydrophobicContact CE-CD1 3.95Å; M672-L800 HydrophobicContact CE-CG 4.5Å; M672-L800 HydrophobicContact SD-CD1 4.13Å; M672-M803 HydrophobicContact CB-CE 4.27Å; M672-M803 HydrophobicContact CB-SD 4.2Å; M672-M803 HydrophobicContact CE-CE 3.89Å; M672-M803 HydrophobicContact CG-CE 3.44Å; M672-M803 VanDerWaalsContact CG-CE 3.44Å; M672-M803 HydrophobicContact CG-SD 3.9Å; M672-M803 HydrophobicContact SD-CE 3.89Å
673	E	77.6	Confident	66.6	Low	6 Å²	6	28.4 Å²	28.4	3%	0.028	15%	0.151	C	C	.	.	H	α-helix	trans	-55.6	-39.7	177.6	-76.9	-178	170	0	0	111.2	D669 A677 R840 Y844	D669-E673 VanDerWaalsContact O-CB 3.31Å; D669-E673 WeakPolarHBondContact O-CB 3.48Å; D669-E673 VanDerWaalsContact O-CG 3.25Å; D669-E673 WeakPolarHBondContact O-CG 3.31Å; D669-E673 PolarHBondContact O-N 3.27Å; E673-A677 WeakPolarHBondContact O-CB 3.2Å; E673-A677 PolarHBondContact O-N 2.98Å; E673-R840 IonicContact OE1-CZ 2.73Å; E673-R840 IonicContact OE1-NE 2.83Å; E673-R840 IonicContact OE1-NH1 3.37Å; E673-R840 IonicContact OE1-NH2 2.86Å; E673-R840 PolarHBondContact OE1-NH2 3.43Å; E673-R840 IonicContact OE2-CZ 3.08Å; E673-R840 IonicContact OE2-NE 3.86Å; E673-R840 IonicContact OE2-NH1 2.78Å; E673-R840 PolarHBondContact OE2-NH1 2.7Å; E673-R840 IonicContact OE2-NH2 3.53Å; E673-R840 PolarHBondContact OE2-NH2 3.33Å; E673-Y844 HydrophobicContact CB-CE1 4.31Å; E673-Y844 HydrophobicContact CB-CE2 4.29Å; E673-Y844 WeakPolarHBondContact CB-OH 3.46Å; E673-Y844 HydrophobicContact CG-CD2 4.5Å; E673-Y844 HydrophobicContact CG-CE2 3.65Å; E673-Y844 PolarHBondContact OE2-OH 3.33Å
674	S	74.6	Confident	65.5	Low	1 Å²	1	33.6 Å²	33.6	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-40.6	179	87.5	0	0	0	0	113.8	K670 K671 M672 A677 D678 S694	K670-S674 VanDerWaalsContact O-CB 3.28Å; K670-S674 WeakPolarHBondContact O-CB 3.2Å; K670-S674 PolarHBondContact O-N 3.13Å; K671-S674 WeakPolarHBondContact O-CB 3.16Å; K671-S674 PolarHBondContact O-N 2.94Å; K671-S674 PolarHBondContact O-OG 3.27Å; M672-S674 PolarHBondContact O-N 3.38Å; S674-A677 WeakPolarHBondContact O-CB 3.31Å; S674-A677 PolarHBondContact O-N 3.49Å; S674-D678 PolarHBondContact O-N 3.41Å; S674-S694 VanDerWaalsContact CB-CB 3.42Å; S674-S694 WeakPolarHBondContact CB-OG 3.24Å; S674-S694 WeakPolarHBondContact OG-CB 3.28Å; S674-S694 PolarHBondContact OG-OG 2.87Å
675	R	75	Confident	64.3	Low	23 Å²	23	35.7 Å²	35.7	9%	0.087	18%	0.176	C	C	.	.	H	α-helix	trans	-72	-43.7	-179	177.9	64	-176.3	-152.3	-13.3	110.2	K671 M672 A677 D678 A679 F697 K698 L700 N702 M803 E806	K671-R675 PolarHBondContact O-N 3.15Å; M672-R675 PolarHBondContact O-N 3.1Å; M672-R675 VanDerWaalsContact O-N 3.16Å; R675-A677 PolarHBondContact O-N 3.35Å; R675-D678 PolarHBondContact O-N 3.21Å; R675-A679 PolarHBondContact O-N 3.28Å; R675-F697 HydrophobicContact CB-CD1 4.01Å; R675-F697 HydrophobicContact CB-CE1 3.91Å; R675-F697 HydrophobicContact CG-CE1 4.44Å; R675-K698 PolarHBondContact NH1-O 3.1Å; R675-L700 PolarHBondContact NH1-O 3.47Å; R675-N702 PolarHBondContact NH2-OD1 3.26Å; R675-M803 HydrophobicContact CB-SD 4.35Å; R675-M803 HydrophobicContact CG-CG 4.5Å; R675-M803 HydrophobicContact CG-SD 4.33Å; R675-E806 IonicContact CZ-OE2 3.99Å; R675-E806 IonicContact NE-OE2 3.93Å; R675-E806 PolarHBondContact NE-OE2 2.93Å; R675-E806 IonicContact NH2-OE2 2.73Å
676	V	73.5	Confident	62.3	Low	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.6	-38	171.7	168.9	0	0	0	0	110.1	M672 Q799 R802 M803 Y844 I848	M672-V676 WeakPolarHBondContact O-CB 3.09Å; M672-V676 WeakPolarHBondContact O-CG2 3.38Å; M672-V676 PolarHBondContact O-N 2.84Å; V676-Q799 HydrophobicContact CB-CG 4.5Å; V676-Q799 HydrophobicContact CG1-CG 4.01Å; V676-Q799 HydrophobicContact CG2-CB 3.96Å; V676-Q799 HydrophobicContact CG2-CG 3.94Å; V676-R802 VanDerWaalsContact CA-NH1 3.3Å; V676-R802 VanDerWaalsContact O-CZ 3.31Å; V676-R802 PolarHBondContact O-NH1 3.35Å; V676-R802 PolarHBondContact O-NH2 3.13Å; V676-R802 VanDerWaalsContact O-NH2 3.1Å; V676-M803 HydrophobicContact CG2-CG 4.26Å; V676-Y844 HydrophobicContact CG1-CD1 4.06Å; V676-I848 HydrophobicContact CG1-CG1 4.48Å
677	A	65.2	Low	60.7	Low	13 Å²	13	43.4 Å²	43.4	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-49.4	176	0	0	0	0	0	113.4	E673 S674 R675 N680 L683	E673-A677 WeakPolarHBondContact O-CB 3.2Å; E673-A677 PolarHBondContact O-N 2.98Å; S674-A677 WeakPolarHBondContact O-CB 3.31Å; S674-A677 PolarHBondContact O-N 3.49Å; R675-A677 PolarHBondContact O-N 3.35Å; A677-N680 CarbonylContact O-C 3.54Å; A677-N680 PolarHBondContact O-N 2.87Å; A677-L683 VanDerWaalsContact CA-CD1 3.45Å; A677-L683 HydrophobicContact CB-CB 3.84Å; A677-L683 HydrophobicContact CB-CD1 3.9Å; A677-L683 WeakPolarHBondContact O-CB 3.44Å
678	D	54.1	Low	59.2	Low	74 Å²	74	50.2 Å²	50.2	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-72.4	-38.1	-171.8	-161.1	13.8	0	0	0	114.1	S674 R675 N680 K681 K698	S674-D678 PolarHBondContact O-N 3.41Å; R675-D678 PolarHBondContact O-N 3.21Å; D678-N680 CarbonylContact O-C 3.52Å; D678-N680 PolarHBondContact O-N 3.22Å; D678-K681 PolarHBondContact O-N 3.05Å; D678-K698 HydrophobicContact CB-CB 4.38Å; D678-K698 HydrophobicContact CB-CD 3.97Å; D678-K698 HydrophobicContact CB-CG 4Å
679	A	47.7	Very low	57.4	Low	50 Å²	50	50.9 Å²	50.9	41%	0.413	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.6	179.4	0	0	0	0	0	112.8	R675 E806	R675-A679 PolarHBondContact O-N 3.28Å; A679-E806 VanDerWaalsContact CB-OE1 3.26Å; A679-E806 WeakPolarHBondContact CB-OE1 3.46Å
680	N	45.7	Very low	55.5	Low	16 Å²	16	53.9 Å²	53.9	9%	0.086	26%	0.259	C	S	.	.	S	Bend	trans	-104.4	102.3	155.4	-73	-11.6	0	0	0	109.2	A677 D678 Q682 L683 N847	A677-N680 CarbonylContact O-C 3.54Å; A677-N680 PolarHBondContact O-N 2.87Å; D678-N680 CarbonylContact O-C 3.52Å; D678-N680 PolarHBondContact O-N 3.22Å; N680-Q682 HydrophobicContact CB-CB 4.08Å; N680-Q682 HydrophobicContact CB-CG 4.06Å; N680-Q682 WeakPolarHBondContact O-CA 3.2Å; N680-Q682 PolarHBondContact O-N 2.7Å; N680-L683 PolarHBondContact O-N 2.96Å; N680-N847 VanDerWaalsContact ND2-CB 3.33Å; N680-N847 WeakPolarHBondContact ND2-CB 3.02Å; N680-N847 PolarHBondContact ND2-O 2.97Å; N680-N847 PolarHBondContact ND2-OD1 3.35Å
681	K	47.5	Very low	53.9	Low	170 Å²	170	53.9 Å²	53.9	74%	0.739	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-46.6	-9.1	167	-69.6	-175.2	177.7	-177	0	114.9	D678	D678-K681 PolarHBondContact O-N 3.05Å
682	Q	46	Very low	52.2	Low	15 Å²	15	56.4 Å²	56.4	7%	0.07	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62.5	-27.7	169.3	-50	-61.6	-9.6	0	0	115.1	N680 W684 W685 L850 D905	N680-Q682 HydrophobicContact CB-CB 4.08Å; N680-Q682 HydrophobicContact CB-CG 4.06Å; N680-Q682 WeakPolarHBondContact O-CA 3.2Å; N680-Q682 PolarHBondContact O-N 2.7Å; Q682-W684 PolarHBondContact O-N 3.39Å; Q682-W685 WeakPolarHBondContact O-CH2 3.45Å; Q682-W685 WeakPolarHBondContact O-CZ3 3.46Å; Q682-L850 HydrophobicContact CG-CD2 4.12Å; Q682-D905 VanDerWaalsContact NE2-CB 3.34Å; Q682-D905 VanDerWaalsContact NE2-CG 3.25Å; Q682-D905 PolarHBondContact NE2-OD2 2.94Å
683	L	42.4	Very low	50.8	Low	7 Å²	7	57.1 Å²	57.1	4%	0.037	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-93.3	14.8	-164.1	-79	172.2	0	0	0	117.3	A677 N680 W685 L686 N847	A677-L683 VanDerWaalsContact CA-CD1 3.45Å; A677-L683 HydrophobicContact CB-CB 3.84Å; A677-L683 HydrophobicContact CB-CD1 3.9Å; A677-L683 WeakPolarHBondContact O-CB 3.44Å; N680-L683 PolarHBondContact O-N 2.96Å; L683-W685 HydrophobicContact CD2-CZ2 4.27Å; L683-W685 PolarHBondContact O-N 2.91Å; L683-L686 HydrophobicContact CB-CD1 4.3Å; L683-L686 HydrophobicContact CD1-CD1 4.28Å; L683-L686 HydrophobicContact CD2-CD1 3.63Å; L683-L686 HydrophobicContact CD2-CG 4.29Å; L683-L686 HydrophobicContact CG-CD1 4.28Å; L683-L686 PolarHBondContact O-N 2.67Å; L683-N847 HydrophobicContact CD1-CB 3.91Å; L683-N847 VanDerWaalsContact CD1-CG 3.44Å; L683-N847 WeakPolarHBondContact CD2-ND2 3.42Å
684	W	44.7	Very low	49.6	Very low	166 Å²	166	56.9 Å²	56.9	63%	0.629	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-11.5	-175.8	68.5	-87.5	0	0	0	116.3	Q682	Q682-W684 PolarHBondContact O-N 3.39Å
685	W	47.1	Very low	48.8	Very low	48 Å²	48	59.5 Å²	59.5	18%	0.182	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.1	175.4	59.3	71.8	0	0	0	115.1	Q682 L683 K687 Q897 V901	Q682-W685 WeakPolarHBondContact O-CH2 3.45Å; Q682-W685 WeakPolarHBondContact O-CZ3 3.46Å; L683-W685 HydrophobicContact CD2-CZ2 4.27Å; L683-W685 PolarHBondContact O-N 2.91Å; W685-K687 PolarHBondContact O-N 3.18Å; W685-Q897 HydrophobicContact CD2-CG 4.49Å; W685-Q897 VanDerWaalsContact CD2-NE2 3.34Å; W685-Q897 HydrophobicContact CZ2-CG 4.19Å; W685-V901 HydrophobicContact CE3-CG1 4.21Å; W685-V901 HydrophobicContact CE3-CG2 4.08Å; W685-V901 HydrophobicContact CH2-CB 3.28Å; W685-V901 HydrophobicContact CH2-CG1 3.34Å; W685-V901 HydrophobicContact CH2-CG2 3.51Å; W685-V901 HydrophobicContact CZ2-CB 4.3Å; W685-V901 HydrophobicContact CZ2-CG2 4.26Å; W685-V901 HydrophobicContact CZ3-CB 3.46Å; W685-V901 VanDerWaalsContact CZ3-CB 3.46Å; W685-V901 HydrophobicContact CZ3-CG1 3.06Å; W685-V901 HydrophobicContact CZ3-CG2 3.43Å; W685-V901 VanDerWaalsContact CZ3-CG2 3.43Å
686	L	36.4	Very low	48.2	Very low	39 Å²	39	65.1 Å²	65.1	20%	0.204	32%	0.321	C	S	.	.			trans	-73.4	51.3	168.2	-77.6	168.6	0	0	0	110.1	L683 N688 V689 R840 Y844	L683-L686 HydrophobicContact CB-CD1 4.3Å; L683-L686 HydrophobicContact CD1-CD1 4.28Å; L683-L686 HydrophobicContact CD2-CD1 3.63Å; L683-L686 HydrophobicContact CD2-CG 4.29Å; L683-L686 HydrophobicContact CG-CD1 4.28Å; L683-L686 PolarHBondContact O-N 2.67Å; L686-N688 PolarHBondContact O-N 3.3Å; L686-V689 PolarHBondContact O-N 2.9Å; L686-R840 HydrophobicContact CD2-CG 4.25Å; L686-Y844 HydrophobicContact CD1-CD1 4.41Å; L686-Y844 HydrophobicContact CD1-CE1 3.66Å
687	K	40.5	Very low	47.9	Very low	155 Å²	155	65.1 Å²	65.1	67%	0.674	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	5.4	-176.1	-82.3	-166.8	169.7	-166.5	0	115.3	W685	W685-K687 PolarHBondContact O-N 3.18Å
688	N	41.8	Very low	48.2	Very low	153 Å²	153	66.1 Å²	66.1	82%	0.818	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-0.1	176.8	-78.1	-1.8	0	0	0	113.7	L686 D690	L686-N688 PolarHBondContact O-N 3.3Å; N688-D690 PolarHBondContact O-N 2.96Å
689	V	40	Very low	48.9	Very low	17 Å²	17	70 Å²	70	10%	0.103	34%	0.339	C	S	.	.	S	Bend	trans	-77.9	109.8	160	-172.8	0	0	0	0	104.5	L686 D691	L686-V689 PolarHBondContact O-N 2.9Å; V689-D691 PolarHBondContact O-N 2.57Å
690	D	38.2	Very low	50.1	Low	80 Å²	80	68.4 Å²	68.4	43%	0.428	32%	0.323	S	S	.	.			trans	-43.2	100.4	177.2	-69.9	-56.1	0	0	0	109.4	K670 N688 C692 V693	K670-D690 IonicContact NZ-OD2 3.8Å; N688-D690 PolarHBondContact O-N 2.96Å; D690-C692 PolarHBondContact O-N 2.94Å; D690-V693 HydrophobicContact CB-CB 4.19Å; D690-V693 HydrophobicContact CB-CG2 3.6Å; D690-V693 PolarHBondContact O-N 2.87Å
691	D	41.2	Very low	51.4	Low	95 Å²	95	70.9 Å²	70.9	51%	0.508	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25.9	-168.1	-96.1	-34.4	0	0	0	111	V689 V693 T695 K698	V689-D691 PolarHBondContact O-N 2.57Å; D691-V693 VanDerWaalsContact C-N 3.31Å; D691-V693 PolarHBondContact O-N 3.39Å; D691-T695 WeakPolarHBondContact O-CG2 3.4Å; D691-K698 IonicContact OD1-NZ 3.73Å; D691-K698 PolarHBondContact OD1-NZ 3.01Å
692	C	40.9	Very low	52.6	Low	52 Å²	52	66.3 Å²	66.3	35%	0.351	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-71.7	-15.3	176.6	-65.3	0	0	0	0	115.2	R629 D690	R629-C692 HydrophobicContact CB-CB 4.29Å; D690-C692 PolarHBondContact O-N 2.94Å
693	V	47	Very low	53.7	Low	19 Å²	19	72.5 Å²	72.5	12%	0.115	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-94.6	-7.3	-169.7	-177.1	0	0	0	0	112.8	R629 E630 D690 D691	R629-V693 HydrophobicContact CB-CG2 4.45Å; E630-V693 WeakPolarHBondContact CB-O 3.47Å; E630-V693 WeakPolarHBondContact CG-O 3.27Å; D690-V693 HydrophobicContact CB-CB 4.19Å; D690-V693 HydrophobicContact CB-CG2 3.6Å; D690-V693 PolarHBondContact O-N 2.87Å; D691-V693 VanDerWaalsContact C-N 3.31Å; D691-V693 PolarHBondContact O-N 3.39Å
694	S	52.4	Low	55.2	Low	2 Å²	2	77.1 Å²	77.1	1%	0.014	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.2	4.1	-167.8	57.9	0	0	0	0	117	E630 S674 R696 F697 K698	E630-S694 WeakPolarHBondContact OE1-CA 3.47Å; E630-S694 PolarHBondContact OE2-N 3.27Å; S674-S694 VanDerWaalsContact CB-CB 3.42Å; S674-S694 WeakPolarHBondContact CB-OG 3.24Å; S674-S694 WeakPolarHBondContact OG-CB 3.28Å; S674-S694 PolarHBondContact OG-OG 2.87Å; S694-R696 PolarHBondContact O-N 3.33Å; S694-F697 PolarHBondContact O-N 3.26Å; S694-K698 WeakPolarHBondContact O-CB 3.38Å; S694-K698 VanDerWaalsContact O-CG 3.25Å; S694-K698 WeakPolarHBondContact O-CG 3.37Å; S694-K698 PolarHBondContact O-N 2.98Å; S694-K698 WeakPolarHBondContact OG-CE 3.22Å
695	T	57.4	Low	56.6	Low	55 Å²	55	69.2 Å²	69.2	34%	0.337	34%	0.344	S	S	.	.	H	α-helix	trans	-59.4	-35	-177.4	50	0	0	0	0	113.3	E630 D691 Q699	E630-T695 PolarHBondContact OE2-N 2.77Å; D691-T695 WeakPolarHBondContact O-CG2 3.4Å; T695-Q699 WeakPolarHBondContact O-CG 3.43Å; T695-Q699 PolarHBondContact O-N 3.31Å
696	R	62.1	Low	57.7	Low	142 Å²	142	68.4 Å²	68.4	54%	0.536	34%	0.342	S	S	.	.	H	α-helix	trans	-75.5	-44.4	-180	-122.1	-177	-173.8	-173.1	1.6	111.1	E630 D632 S694 K698 Q699 L700	E630-R696 PolarHBondContact OE2-N 2.88Å; D632-R696 IonicContact OD2-NH1 3.46Å; S694-R696 PolarHBondContact O-N 3.33Å; R696-K698 PolarHBondContact O-N 3.31Å; R696-Q699 CarbonylContact O-C 3.42Å; R696-Q699 PolarHBondContact O-N 3.47Å; R696-L700 PolarHBondContact O-N 3.28Å
697	F	68.8	Low	59.3	Low	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.2	-38.1	174.6	-166.2	-94.8	0	0	0	112.1	E630 I633 K671 R675 S694 Q699 L700 L705 F708 M803	E630-F697 WeakPolarHBondContact OE1-CB 3.37Å; E630-F697 PolarHBondContact OE1-N 3.36Å; I633-F697 HydrophobicContact CD1-CD2 3.87Å; I633-F697 HydrophobicContact CG1-CD2 4.11Å; K671-F697 HydrophobicContact CB-CB 4.41Å; K671-F697 HydrophobicContact CB-CD1 3.64Å; K671-F697 HydrophobicContact CB-CD2 4.21Å; K671-F697 HydrophobicContact CB-CE1 3.87Å; K671-F697 HydrophobicContact CB-CE2 4.42Å; K671-F697 HydrophobicContact CB-CG 3.81Å; K671-F697 HydrophobicContact CB-CZ 4.26Å; K671-F697 HydrophobicContact CD-CB 4.36Å; K671-F697 HydrophobicContact CD-CD2 4.01Å; K671-F697 HydrophobicContact CD-CG 4.13Å; K671-F697 HydrophobicContact CG-CB 4.09Å; K671-F697 HydrophobicContact CG-CD1 4.25Å; K671-F697 HydrophobicContact CG-CD2 4.32Å; K671-F697 HydrophobicContact CG-CG 3.95Å; K671-F697 WeakPolarHBondContact O-CD1 3.26Å; K671-F697 WeakPolarHBondContact O-CE1 3.31Å; R675-F697 HydrophobicContact CB-CD1 4.01Å; R675-F697 HydrophobicContact CB-CE1 3.91Å; R675-F697 HydrophobicContact CG-CE1 4.44Å; S694-F697 PolarHBondContact O-N 3.26Å; F697-Q699 PolarHBondContact O-N 3.08Å; F697-L700 PolarHBondContact O-N 3.32Å; F697-L705 HydrophobicContact CZ-CD1 4.08Å; F697-F708 AromaticContact CE2-CD1 3.87Å; F697-F708 HydrophobicContact CE2-CD1 3.87Å; F697-F708 AromaticContact CE2-CE1 3.55Å; F697-F708 HydrophobicContact CE2-CE1 3.55Å; F697-F708 HydrophobicContact CE2-CZ 4.03Å; F697-F708 HydrophobicContact CZ-CD1 4.12Å; F697-F708 AromaticContact CZ-CE1 3.76Å; F697-F708 HydrophobicContact CZ-CE1 3.76Å; F697-M803 HydrophobicContact CE1-SD 4.34Å
698	K	70.7	Confident	61.2	Low	34 Å²	34	66.2 Å²	66.2	15%	0.148	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-28.5	173.1	-75.1	173.4	-171.9	176	0	113.4	R675 D678 D691 S694 R696	R675-K698 PolarHBondContact NH1-O 3.1Å; D678-K698 HydrophobicContact CB-CB 4.38Å; D678-K698 HydrophobicContact CB-CD 3.97Å; D678-K698 HydrophobicContact CB-CG 4Å; D691-K698 IonicContact OD1-NZ 3.73Å; D691-K698 PolarHBondContact OD1-NZ 3.01Å; S694-K698 WeakPolarHBondContact O-CB 3.38Å; S694-K698 VanDerWaalsContact O-CG 3.25Å; S694-K698 WeakPolarHBondContact O-CG 3.37Å; S694-K698 PolarHBondContact O-N 2.98Å; S694-K698 WeakPolarHBondContact OG-CE 3.22Å; R696-K698 PolarHBondContact O-N 3.31Å
699	Q	69.7	Low	62.8	Low	155 Å²	155	59 Å²	59	72%	0.724	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	8	-176.3	-67.6	179.8	0.7	0	0	113.6	T695 R696 F697	T695-Q699 WeakPolarHBondContact O-CG 3.43Å; T695-Q699 PolarHBondContact O-N 3.31Å; R696-Q699 CarbonylContact O-C 3.42Å; R696-Q699 PolarHBondContact O-N 3.47Å; F697-Q699 PolarHBondContact O-N 3.08Å
700	L	71.9	Confident	64.3	Low	17 Å²	17	60.5 Å²	60.5	9%	0.089	31%	0.306	C	S	.	.			trans	-60.5	132.5	-177.5	-135.4	73.6	0	0	0	111.3	I633 R675 R696 F697 E704 L705	I633-L700 HydrophobicContact CD1-CD1 3.17Å; I633-L700 HydrophobicContact CD1-CD2 3.79Å; I633-L700 HydrophobicContact CD1-CG 4.12Å; R675-L700 PolarHBondContact NH1-O 3.47Å; R696-L700 PolarHBondContact O-N 3.28Å; F697-L700 PolarHBondContact O-N 3.32Å; L700-E704 HydrophobicContact CD2-CB 3.92Å; L700-E704 HydrophobicContact CG-CB 3.95Å; L700-L705 HydrophobicContact CD2-CB 4.3Å
701	P	73.8	Confident	65.9	Low	67 Å²	67	60.2 Å²	60.2	44%	0.435	30%	0.301	S	S	.	.			trans	-54.5	144.7	168.6	-22.9	32.4	0	0	0	110.7	E703 E704 L705	P701-E703 PolarHBondContact O-N 3Å; P701-E704 HydrophobicContact CB-CB 4.43Å; P701-E704 HydrophobicContact CB-CG 4.36Å; P701-E704 HydrophobicContact CG-CG 4.27Å; P701-E704 PolarHBondContact O-N 3.27Å; P701-E704 VanDerWaalsContact O-N 3.15Å; P701-L705 PolarHBondContact O-N 3.31Å
702	N	72.7	Confident	67.7	Low	74 Å²	74	55.8 Å²	55.8	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-33.1	-178.2	-75.4	3.2	0	0	0	112.8	R675 L705 Q706 E806	R675-N702 PolarHBondContact NH2-OD1 3.26Å; N702-L705 PolarHBondContact O-N 3.22Å; N702-Q706 PolarHBondContact O-N 3.03Å; N702-E806 PolarHBondContact ND2-O 2.79Å; N702-E806 VanDerWaalsContact ND2-O 3.09Å
703	E	69.2	Low	69.3	Low	146 Å²	146	54.1 Å²	54.1	68%	0.682	27%	0.266	S	S	*	.	H	α-helix	trans	-66.2	-47	175.6	-66.1	177.3	-173.9	0	0	111.9	P701 L705 Q706 Q707	P701-E703 PolarHBondContact O-N 3Å; E703-L705 VanDerWaalsContact C-N 3.31Å; E703-L705 PolarHBondContact O-N 2.64Å; E703-Q706 PolarHBondContact O-N 2.98Å; E703-Q707 WeakPolarHBondContact O-CG 3.45Å; E703-Q707 PolarHBondContact O-N 3.12Å
704	E	72.4	Confident	70.6	Confident	103 Å²	103	55 Å²	55	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-35.7	176.3	-70.5	-176.9	-168.7	0	0	111.7	L700 P701 Q707 F708	L700-E704 HydrophobicContact CD2-CB 3.92Å; L700-E704 HydrophobicContact CG-CB 3.95Å; P701-E704 HydrophobicContact CB-CB 4.43Å; P701-E704 HydrophobicContact CB-CG 4.36Å; P701-E704 HydrophobicContact CG-CG 4.27Å; P701-E704 PolarHBondContact O-N 3.27Å; P701-E704 VanDerWaalsContact O-N 3.15Å; E704-Q707 PolarHBondContact O-N 2.99Å; E704-F708 VanDerWaalsContact O-CB 3.27Å; E704-F708 WeakPolarHBondContact O-CB 3.19Å; E704-F708 PolarHBondContact O-N 2.92Å
705	L	75.1	Confident	71.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-42.2	175.2	-179	64.5	0	0	0	111	F697 L700 P701 N702 E703 F708 L709	F697-L705 HydrophobicContact CZ-CD1 4.08Å; L700-L705 HydrophobicContact CD2-CB 4.3Å; P701-L705 PolarHBondContact O-N 3.31Å; N702-L705 PolarHBondContact O-N 3.22Å; E703-L705 VanDerWaalsContact C-N 3.31Å; E703-L705 PolarHBondContact O-N 2.64Å; L705-F708 HydrophobicContact CD1-CD1 4.46Å; L705-F708 PolarHBondContact O-N 3.29Å; L705-L709 HydrophobicContact CD1-CD1 4.13Å; L705-L709 HydrophobicContact CD1-CG 4.22Å; L705-L709 HydrophobicContact CG-CD1 3.98Å; L705-L709 HydrophobicContact CG-CG 4.43Å; L705-L709 WeakPolarHBondContact O-CB 3.35Å; L705-L709 VanDerWaalsContact O-CG 3.25Å; L705-L709 WeakPolarHBondContact O-CG 3.49Å; L705-L709 PolarHBondContact O-N 3.05Å
706	Q	70.2	Confident	72.5	Confident	31 Å²	31	53.6 Å²	53.6	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-48.4	175.4	-177.6	-170.9	-10.2	0	0	110.9	N702 E703 F708 L709 S710 F808	N702-Q706 PolarHBondContact O-N 3.03Å; E703-Q706 PolarHBondContact O-N 2.98Å; Q706-F708 VanDerWaalsContact C-N 3.27Å; Q706-F708 PolarHBondContact O-N 2.77Å; Q706-L709 PolarHBondContact O-N 3.2Å; Q706-S710 WeakPolarHBondContact O-CB 3.34Å; Q706-S710 PolarHBondContact O-N 2.62Å; Q706-S710 PolarHBondContact O-OG 3.19Å; Q706-F808 VanDerWaalsContact CD-CE2 3.4Å; Q706-F808 HydrophobicContact CG-CE2 4.3Å
707	Q	70.4	Confident	73.1	Confident	132 Å²	132	46.9 Å²	46.9	62%	0.617	24%	0.236	S	C	*	.	H	α-helix	trans	-60.9	-38.4	177.5	-70.2	176.5	11.3	0	0	112.1	E703 E704 S710 F711	E703-Q707 WeakPolarHBondContact O-CG 3.45Å; E703-Q707 PolarHBondContact O-N 3.12Å; E704-Q707 PolarHBondContact O-N 2.99Å; Q707-S710 WeakPolarHBondContact CA-OG 3.48Å; Q707-S710 PolarHBondContact O-OG 2.65Å; Q707-F711 WeakPolarHBondContact O-CB 3.48Å; Q707-F711 PolarHBondContact O-N 2.74Å; Q707-F711 VanDerWaalsContact O-N 3.14Å
708	F	79.4	Confident	73.5	Confident	17 Å²	17	51 Å²	51	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-47.3	174.7	173.8	-104.8	0	0	0	111.8	I633 F636 L668 F697 E704 L705 Q706 F711 V712	I633-F708 HydrophobicContact CG2-CD2 3.16Å; I633-F708 HydrophobicContact CG2-CE2 3.18Å; I633-F708 HydrophobicContact CG2-CG 3.95Å; I633-F708 HydrophobicContact CG2-CZ 4Å; F636-F708 HydrophobicContact CB-CE2 3.89Å; F636-F708 AromaticContact CD2-CE2 3.46Å; F636-F708 HydrophobicContact CD2-CE2 3.46Å; F636-F708 VanDerWaalsContact CD2-CE2 3.46Å; F636-F708 AromaticContact CD2-CZ 3.63Å; F636-F708 HydrophobicContact CD2-CZ 3.63Å; F636-F708 HydrophobicContact CE2-CE2 4.19Å; F636-F708 AromaticContact CE2-CZ 3.91Å; F636-F708 HydrophobicContact CE2-CZ 3.91Å; F636-F708 AromaticContact CG-CE2 3.8Å; F636-F708 HydrophobicContact CG-CE2 3.8Å; F636-F708 HydrophobicContact CG-CZ 4.03Å; L668-F708 HydrophobicContact CD1-CE1 3.9Å; L668-F708 HydrophobicContact CD1-CZ 3.83Å; F697-F708 AromaticContact CE2-CD1 3.87Å; F697-F708 HydrophobicContact CE2-CD1 3.87Å; F697-F708 AromaticContact CE2-CE1 3.55Å; F697-F708 HydrophobicContact CE2-CE1 3.55Å; F697-F708 HydrophobicContact CE2-CZ 4.03Å; F697-F708 HydrophobicContact CZ-CD1 4.12Å; F697-F708 AromaticContact CZ-CE1 3.76Å; F697-F708 HydrophobicContact CZ-CE1 3.76Å; E704-F708 VanDerWaalsContact O-CB 3.27Å; E704-F708 WeakPolarHBondContact O-CB 3.19Å; E704-F708 PolarHBondContact O-N 2.92Å; L705-F708 HydrophobicContact CD1-CD1 4.46Å; L705-F708 PolarHBondContact O-N 3.29Å; Q706-F708 VanDerWaalsContact C-N 3.27Å; Q706-F708 PolarHBondContact O-N 2.77Å; F708-F711 PolarHBondContact O-N 3.33Å; F708-V712 HydrophobicContact CD2-CG2 3.83Å; F708-V712 HydrophobicContact CE1-CG2 4.21Å; F708-V712 HydrophobicContact CE2-CG2 3.37Å; F708-V712 HydrophobicContact CG-CG2 4.44Å; F708-V712 HydrophobicContact CZ-CB 4.37Å; F708-V712 HydrophobicContact CZ-CG2 3.61Å; F708-V712 WeakPolarHBondContact O-CB 3.46Å; F708-V712 WeakPolarHBondContact O-CG2 3.18Å; F708-V712 PolarHBondContact O-N 3.46Å
709	L	76	Confident	73.8	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-70.2	-37.2	-179	-66.4	173.4	0	0	0	112.2	L705 Q706 F711 V712 V713 L800 M803 L804	L705-L709 HydrophobicContact CD1-CD1 4.13Å; L705-L709 HydrophobicContact CD1-CG 4.22Å; L705-L709 HydrophobicContact CG-CD1 3.98Å; L705-L709 HydrophobicContact CG-CG 4.43Å; L705-L709 WeakPolarHBondContact O-CB 3.35Å; L705-L709 VanDerWaalsContact O-CG 3.25Å; L705-L709 WeakPolarHBondContact O-CG 3.49Å; L705-L709 PolarHBondContact O-N 3.05Å; Q706-L709 PolarHBondContact O-N 3.2Å; L709-F711 PolarHBondContact O-N 3.41Å; L709-V712 PolarHBondContact O-N 2.92Å; L709-V713 WeakPolarHBondContact O-CB 3.47Å; L709-V713 VanDerWaalsContact O-CG2 3.25Å; L709-V713 WeakPolarHBondContact O-CG2 3.38Å; L709-V713 PolarHBondContact O-N 3.06Å; L709-L800 HydrophobicContact CD2-CD1 4.08Å; L709-M803 HydrophobicContact CD1-CB 3.89Å; L709-M803 HydrophobicContact CD1-CE 4.36Å; L709-M803 HydrophobicContact CD2-CE 3.57Å; L709-L804 HydrophobicContact CB-CD2 3.8Å; L709-L804 HydrophobicContact CD1-CD2 3.76Å; L709-L804 HydrophobicContact CD1-CG 4.12Å; L709-L804 HydrophobicContact CG-CD2 4.39Å
710	S	71.4	Confident	74.1	Confident	47 Å²	47	42.1 Å²	42.1	33%	0.329	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-30.5	173.9	64.5	0	0	0	0	112	Q706 Q707 P714	Q706-S710 WeakPolarHBondContact O-CB 3.34Å; Q706-S710 PolarHBondContact O-N 2.62Å; Q706-S710 PolarHBondContact O-OG 3.19Å; Q707-S710 WeakPolarHBondContact CA-OG 3.48Å; Q707-S710 PolarHBondContact O-OG 2.65Å; S710-P714 VanDerWaalsContact O-CD 3.26Å; S710-P714 WeakPolarHBondContact O-CD 3.34Å; S710-P714 WeakPolarHBondContact O-CG 3.44Å
711	F	72.1	Confident	74.3	Confident	75 Å²	75	42.4 Å²	42.4	33%	0.329	21%	0.214	S	C	.	.	H	α-helix	trans	-79.1	-47.9	174.9	176.5	-103.9	0	0	0	112.6	F636 R637 Q707 F708 L709 L715	F636-F711 WeakPolarHBondContact O-CE1 3.41Å; R637-F711 HydrophobicContact CG-CE1 4.46Å; R637-F711 HydrophobicContact CG-CZ 4.48Å; Q707-F711 WeakPolarHBondContact O-CB 3.48Å; Q707-F711 PolarHBondContact O-N 2.74Å; Q707-F711 VanDerWaalsContact O-N 3.14Å; F708-F711 PolarHBondContact O-N 3.33Å; L709-F711 PolarHBondContact O-N 3.41Å; F711-L715 HydrophobicContact CD1-CD1 4.25Å; F711-L715 HydrophobicContact CD2-CD1 4.1Å; F711-L715 HydrophobicContact CE1-CD1 3.76Å; F711-L715 HydrophobicContact CE2-CD1 3.61Å; F711-L715 HydrophobicContact CG-CD1 4.4Å; F711-L715 HydrophobicContact CZ-CD1 3.41Å; F711-L715 VanDerWaalsContact CZ-CD1 3.41Å; F711-L715 WeakPolarHBondContact O-CD1 3.37Å; F711-L715 WeakPolarHBondContact O-CG 3.33Å
712	V	77.6	Confident	74.4	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-79.3	-38.6	-170.3	171.6	0	0	0	0	113.4	F636 L639 L668 F708 L709 L715 L716	F636-V712 HydrophobicContact CB-CG2 4.04Å; F636-V712 HydrophobicContact CG-CG2 4.45Å; L639-V712 HydrophobicContact CD1-CG1 4.06Å; L639-V712 HydrophobicContact CD1-CG2 4.48Å; L668-V712 HydrophobicContact CD1-CG1 4.4Å; L668-V712 HydrophobicContact CD2-CG1 3.75Å; F708-V712 HydrophobicContact CD2-CG2 3.83Å; F708-V712 HydrophobicContact CE1-CG2 4.21Å; F708-V712 HydrophobicContact CE2-CG2 3.37Å; F708-V712 HydrophobicContact CG-CG2 4.44Å; F708-V712 HydrophobicContact CZ-CB 4.37Å; F708-V712 HydrophobicContact CZ-CG2 3.61Å; F708-V712 WeakPolarHBondContact O-CB 3.46Å; F708-V712 WeakPolarHBondContact O-CG2 3.18Å; F708-V712 PolarHBondContact O-N 3.46Å; L709-V712 PolarHBondContact O-N 2.92Å; V712-L715 PolarHBondContact O-N 3.45Å; V712-L716 VanDerWaalsContact O-CB 3.25Å; V712-L716 WeakPolarHBondContact O-CB 3.36Å; V712-L716 PolarHBondContact O-N 3.21Å
713	V	75.7	Confident	74.5	Confident	17 Å²	17	38.2 Å²	38.2	10%	0.103	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-46.6	-172.6	173.3	0	0	0	0	112.8	L709 L716 Y717 L800	L709-V713 WeakPolarHBondContact O-CB 3.47Å; L709-V713 VanDerWaalsContact O-CG2 3.25Å; L709-V713 WeakPolarHBondContact O-CG2 3.38Å; L709-V713 PolarHBondContact O-N 3.06Å; V713-L716 PolarHBondContact O-N 3.33Å; V713-Y717 PolarHBondContact O-N 3.2Å; V713-Y717 VanDerWaalsContact O-N 3.09Å; V713-L800 HydrophobicContact CG1-CD2 4.41Å; V713-L800 HydrophobicContact CG2-CD1 3.9Å; V713-L800 HydrophobicContact CG2-CD2 4Å; V713-L800 HydrophobicContact CG2-CG 4.32Å
714	P	73.1	Confident	74.7	Confident	37 Å²	37	33.4 Å²	33.4	24%	0.24	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-42.8	176.6	-22.1	34.6	0	0	0	112.8	S710 Y717 K718	S710-P714 VanDerWaalsContact O-CD 3.26Å; S710-P714 WeakPolarHBondContact O-CD 3.34Å; S710-P714 WeakPolarHBondContact O-CG 3.44Å; P714-Y717 PolarHBondContact O-N 2.92Å; P714-K718 PolarHBondContact O-N 3.06Å
715	L	73.5	Confident	74.7	Confident	25 Å²	25	34.3 Å²	34.3	13%	0.131	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-41.2	179	-67.1	175.5	0	0	0	111.8	L639 F711 V712 Y717 K718 H719	L639-L715 HydrophobicContact CB-CB 4.13Å; L639-L715 HydrophobicContact CB-CD1 4.02Å; F711-L715 HydrophobicContact CD1-CD1 4.25Å; F711-L715 HydrophobicContact CD2-CD1 4.1Å; F711-L715 HydrophobicContact CE1-CD1 3.76Å; F711-L715 HydrophobicContact CE2-CD1 3.61Å; F711-L715 HydrophobicContact CG-CD1 4.4Å; F711-L715 HydrophobicContact CZ-CD1 3.41Å; F711-L715 VanDerWaalsContact CZ-CD1 3.41Å; F711-L715 WeakPolarHBondContact O-CD1 3.37Å; F711-L715 WeakPolarHBondContact O-CG 3.33Å; V712-L715 PolarHBondContact O-N 3.45Å; L715-Y717 VanDerWaalsContact C-N 3.34Å; L715-Y717 PolarHBondContact O-N 3.02Å; L715-K718 PolarHBondContact O-N 3.19Å; L715-H719 PolarHBondContact O-CD2 3.09Å; L715-H719 PolarHBondContact O-N 2.91Å
716	L	76.9	Confident	74.4	Confident	3 Å²	3	39 Å²	39	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-44.7	175.5	-178.1	65.1	0	0	0	110.9	V665 L668 V712 V713 L720 Y741	V665-L716 HydrophobicContact CG1-CD1 4.4Å; V665-L716 HydrophobicContact CG2-CD1 3.62Å; L668-L716 HydrophobicContact CD2-CD2 4.03Å; V712-L716 VanDerWaalsContact O-CB 3.25Å; V712-L716 WeakPolarHBondContact O-CB 3.36Å; V712-L716 PolarHBondContact O-N 3.21Å; V713-L716 PolarHBondContact O-N 3.33Å; L716-L720 HydrophobicContact CD1-CD1 3.95Å; L716-L720 HydrophobicContact CD1-CG 4.15Å; L716-L720 HydrophobicContact CG-CD1 3.79Å; L716-L720 HydrophobicContact CG-CG 4.38Å; L716-L720 WeakPolarHBondContact O-CB 2.92Å; L716-L720 WeakPolarHBondContact O-CG 3.27Å; L716-L720 PolarHBondContact O-N 3.48Å; L716-Y741 HydrophobicContact CD2-CD1 4.3Å; L716-Y741 HydrophobicContact CD2-CE1 3.83Å
717	Y	74.6	Confident	74.1	Confident	1 Å²	1	38.7 Å²	38.7	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-50.6	175.3	175.2	-93.7	0	0	0	112.1	V713 P714 L715 H719 L720 E721 L744 L753 K754	V713-Y717 PolarHBondContact O-N 3.2Å; V713-Y717 VanDerWaalsContact O-N 3.09Å; P714-Y717 PolarHBondContact O-N 2.92Å; L715-Y717 VanDerWaalsContact C-N 3.34Å; L715-Y717 PolarHBondContact O-N 3.02Å; Y717-H719 VanDerWaalsContact C-N 3.29Å; Y717-H719 PolarHBondContact O-N 3.39Å; Y717-L720 PolarHBondContact O-N 3.42Å; Y717-E721 HydrophobicContact CE1-CB 4.46Å; Y717-E721 WeakPolarHBondContact O-CB 3.44Å; Y717-E721 PolarHBondContact O-N 3.18Å; Y717-L744 HydrophobicContact CD2-CD2 4.31Å; Y717-L744 HydrophobicContact CD2-CG 4.02Å; Y717-L744 WeakPolarHBondContact CD2-O 3.37Å; Y717-L744 VanDerWaalsContact CE2-O 3.26Å; Y717-L744 WeakPolarHBondContact CE2-O 3.23Å; Y717-L753 HydrophobicContact CD1-CB 3.45Å; Y717-L753 VanDerWaalsContact CD1-CB 3.45Å; Y717-L753 HydrophobicContact CD1-CD2 4.06Å; Y717-L753 HydrophobicContact CD1-CG 4.27Å; Y717-L753 HydrophobicContact CD2-CB 4.3Å; Y717-L753 HydrophobicContact CD2-CD1 4.14Å; Y717-L753 HydrophobicContact CD2-CD2 3.85Å; Y717-L753 HydrophobicContact CD2-CG 4.35Å; Y717-L753 HydrophobicContact CE1-CB 3.15Å; Y717-L753 HydrophobicContact CE1-CD1 4.36Å; Y717-L753 HydrophobicContact CE1-CD2 4.43Å; Y717-L753 HydrophobicContact CE1-CG 4.17Å; Y717-L753 HydrophobicContact CE2-CB 4.04Å; Y717-L753 HydrophobicContact CE2-CD1 3.69Å; Y717-L753 HydrophobicContact CE2-CD2 4.22Å; Y717-L753 HydrophobicContact CE2-CG 4.23Å; Y717-L753 HydrophobicContact CG-CB 3.99Å; Y717-L753 HydrophobicContact CG-CD2 3.71Å; Y717-L753 HydrophobicContact CG-CG 4.33Å; Y717-L753 VanDerWaalsContact CZ-CB 3.45Å; Y717-K754 HydrophobicContact CE1-CG 4.42Å
718	K	77.5	Confident	73.2	Confident	85 Å²	85	37.3 Å²	37.3	37%	0.37	20%	0.195	S	C	.	.	H	α-helix	trans	-51.4	-51.2	178.9	178.9	-172.2	168	-168.5	0	110.6	D642 P714 L715 E721 E722	D642-K718 IonicContact OD1-NZ 3.51Å; P714-K718 PolarHBondContact O-N 3.06Å; L715-K718 PolarHBondContact O-N 3.19Å; K718-E721 PolarHBondContact O-N 3.46Å; K718-E722 WeakPolarHBondContact CE-OE1 3.16Å; K718-E722 WeakPolarHBondContact O-CG 3.26Å; K718-E722 PolarHBondContact O-N 3.39Å
719	H	77.2	Confident	71.8	Confident	3 Å²	3	40 Å²	40	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-67.6	-41.2	-178.1	-71.1	-46.8	0	0	0	113.3	L639 L641 V643 L661 L715 Y717 E721 E722 V723	L639-H719 PolarHBondContact O-NE2 2.95Å; L641-H719 PolarHBondContact O-CE1 2.84Å; V643-H719 WeakPolarHBondContact CG2-ND1 3.36Å; L661-H719 HydrophobicContact CD1-CB 4.21Å; L661-H719 HydrophobicContact CD2-CB 4Å; L715-H719 PolarHBondContact O-CD2 3.09Å; L715-H719 PolarHBondContact O-N 2.91Å; Y717-H719 VanDerWaalsContact C-N 3.29Å; Y717-H719 PolarHBondContact O-N 3.39Å; H719-E721 VanDerWaalsContact C-N 3.33Å; H719-E721 PolarHBondContact O-N 2.81Å; H719-E722 PolarHBondContact O-N 3.44Å; H719-V723 WeakPolarHBondContact O-CB 3.45Å; H719-V723 WeakPolarHBondContact O-CG2 3.13Å; H719-V723 PolarHBondContact O-N 2.91Å
720	L	75.7	Confident	70.5	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-36.1	177.9	-72.2	172.5	0	0	0	112	L716 Y717 V723 K724 L737 Y741 L744 L745	L716-L720 HydrophobicContact CD1-CD1 3.95Å; L716-L720 HydrophobicContact CD1-CG 4.15Å; L716-L720 HydrophobicContact CG-CD1 3.79Å; L716-L720 HydrophobicContact CG-CG 4.38Å; L716-L720 WeakPolarHBondContact O-CB 2.92Å; L716-L720 WeakPolarHBondContact O-CG 3.27Å; L716-L720 PolarHBondContact O-N 3.48Å; Y717-L720 PolarHBondContact O-N 3.42Å; L720-V723 PolarHBondContact O-N 3Å; L720-K724 WeakPolarHBondContact O-CB 3.42Å; L720-K724 PolarHBondContact O-N 2.82Å; L720-L737 HydrophobicContact CD2-CD1 4.38Å; L720-L737 HydrophobicContact CD2-CD2 4.04Å; L720-L737 HydrophobicContact CD2-CG 3.84Å; L720-Y741 HydrophobicContact CD1-CD1 4.25Å; L720-Y741 HydrophobicContact CD1-CD2 4.17Å; L720-Y741 HydrophobicContact CD1-CG 3.76Å; L720-L744 HydrophobicContact CD1-CD2 4.32Å; L720-L745 HydrophobicContact CB-CD1 4.13Å; L720-L745 HydrophobicContact CB-CD2 3.67Å; L720-L745 HydrophobicContact CB-CG 4.24Å
721	E	75.6	Confident	69.7	Low	23 Å²	23	50.4 Å²	50.4	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-68.9	-43.2	174.9	-170.6	72.8	172.5	0	0	110.9	Y717 K718 H719 V723 K724 E725 L745	Y717-E721 HydrophobicContact CE1-CB 4.46Å; Y717-E721 WeakPolarHBondContact O-CB 3.44Å; Y717-E721 PolarHBondContact O-N 3.18Å; K718-E721 PolarHBondContact O-N 3.46Å; H719-E721 VanDerWaalsContact C-N 3.33Å; H719-E721 PolarHBondContact O-N 2.81Å; E721-V723 VanDerWaalsContact C-N 3.31Å; E721-V723 PolarHBondContact O-N 3.45Å; E721-K724 WeakPolarHBondContact O-CB 3.39Å; E721-K724 PolarHBondContact O-N 3.44Å; E721-K724 VanDerWaalsContact O-N 3.16Å; E721-E725 WeakPolarHBondContact O-CG 3.45Å; E721-E725 PolarHBondContact O-N 2.83Å; E721-L745 HydrophobicContact CB-CD2 4.18Å; E721-L745 WeakPolarHBondContact OE2-CD2 3.24Å
722	E	75.5	Confident	68.7	Low	52 Å²	52	54.3 Å²	54.3	24%	0.243	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-39.1	173.5	-77.3	179	-166.9	0	0	112.4	K718 H719 N726	K718-E722 WeakPolarHBondContact CE-OE1 3.16Å; K718-E722 WeakPolarHBondContact O-CG 3.26Å; K718-E722 PolarHBondContact O-N 3.39Å; H719-E722 PolarHBondContact O-N 3.44Å; E722-N726 VanDerWaalsContact O-CB 3.31Å; E722-N726 WeakPolarHBondContact O-CB 3.49Å; E722-N726 PolarHBondContact O-N 2.87Å; E722-N726 PolarHBondContact O-ND2 3.45Å
723	V	75.4	Confident	67.6	Low	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-40.1	175	173.5	0	0	0	0	110.7	F645 L661 H719 L720 E721 F727 F734 I738	F645-V723 HydrophobicContact CE1-CG2 4.39Å; L661-V723 HydrophobicContact CD2-CG2 4.06Å; H719-V723 WeakPolarHBondContact O-CB 3.45Å; H719-V723 WeakPolarHBondContact O-CG2 3.13Å; H719-V723 PolarHBondContact O-N 2.91Å; L720-V723 PolarHBondContact O-N 3Å; E721-V723 VanDerWaalsContact C-N 3.31Å; E721-V723 PolarHBondContact O-N 3.45Å; V723-F727 HydrophobicContact CG1-CD2 4.11Å; V723-F727 WeakPolarHBondContact O-CB 3.29Å; V723-F727 PolarHBondContact O-N 3.39Å; V723-F727 VanDerWaalsContact O-N 3.11Å; V723-F734 HydrophobicContact CG1-CB 4.37Å; V723-I738 HydrophobicContact CG1-CD1 4.22Å; V723-I738 HydrophobicContact CG1-CG1 4.42Å
724	K	74.2	Confident	67	Low	46 Å²	46	57.2 Å²	57.2	20%	0.2	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-37	176.3	179.3	179.8	169.5	-179.4	0	112.9	L720 E721 Y729 I738 L745 D746	L720-K724 WeakPolarHBondContact O-CB 3.42Å; L720-K724 PolarHBondContact O-N 2.82Å; E721-K724 WeakPolarHBondContact O-CB 3.39Å; E721-K724 PolarHBondContact O-N 3.44Å; E721-K724 VanDerWaalsContact O-N 3.16Å; K724-Y729 HydrophobicContact CD-CE2 4.36Å; K724-Y729 HydrophobicContact CG-CE2 3.98Å; K724-I738 HydrophobicContact CB-CD1 4.12Å; K724-L745 HydrophobicContact CD-CB 4.18Å; K724-L745 HydrophobicContact CD-CD1 4.32Å; K724-L745 HydrophobicContact CD-CD2 4.46Å; K724-L745 PolarHBondContact NZ-O 3.22Å; K724-D746 IonicContact NZ-OD1 3.24Å; K724-D746 PolarHBondContact NZ-OD1 3.34Å
725	E	72.9	Confident	66.8	Low	121 Å²	121	60.1 Å²	60.1	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-75.2	-41.7	178.1	-73.9	-175.3	-179.1	0	0	112.2	E721 K754	E721-E725 WeakPolarHBondContact O-CG 3.45Å; E721-E725 PolarHBondContact O-N 2.83Å; E725-K754 IonicContact OE1-NZ 2.66Å; E725-K754 PolarHBondContact OE1-NZ 2.97Å
726	N	68.4	Low	66.6	Low	98 Å²	98	62 Å²	62	52%	0.524	32%	0.318	S	S	.	.	H	α-helix	trans	-80	-27.8	-175.6	-75	-54.7	0	0	0	114	F645 E722	F645-N726 HydrophobicContact CD1-CB 4.07Å; F645-N726 HydrophobicContact CE1-CB 3.75Å; F645-N726 HydrophobicContact CE2-CB 4.46Å; F645-N726 VanDerWaalsContact CE2-ND2 3.34Å; F645-N726 WeakPolarHBondContact CE2-ND2 3.47Å; F645-N726 HydrophobicContact CZ-CB 3.97Å; F645-N726 WeakPolarHBondContact CZ-ND2 3.37Å; E722-N726 VanDerWaalsContact O-CB 3.31Å; E722-N726 WeakPolarHBondContact O-CB 3.49Å; E722-N726 PolarHBondContact O-N 2.87Å; E722-N726 PolarHBondContact O-ND2 3.45Å
727	F	62.9	Low	66.4	Low	26 Å²	26	62.7 Å²	62.7	11%	0.114	32%	0.321	C	S	.	.	S	Bend	trans	-109.1	128.7	177.6	-68.6	-73.1	0	0	0	111.7	F645 I658 V723 Y729 F734	F645-F727 HydrophobicContact CD1-CD2 4.04Å; F645-F727 AromaticContact CD1-CE2 3.25Å; F645-F727 HydrophobicContact CD1-CE2 3.25Å; F645-F727 AromaticContact CD1-CZ 3.65Å; F645-F727 HydrophobicContact CD1-CZ 3.65Å; F645-F727 AromaticContact CE1-CD2 3.96Å; F645-F727 HydrophobicContact CE1-CD2 3.96Å; F645-F727 AromaticContact CE1-CE2 3.49Å; F645-F727 HydrophobicContact CE1-CE2 3.49Å; F645-F727 VanDerWaalsContact CE1-CE2 3.49Å; F645-F727 HydrophobicContact CE1-CZ 4.34Å; I658-F727 HydrophobicContact CD1-CE2 3.57Å; I658-F727 HydrophobicContact CD1-CZ 3.54Å; I658-F727 HydrophobicContact CG1-CE2 4.49Å; V723-F727 HydrophobicContact CG1-CD2 4.11Å; V723-F727 WeakPolarHBondContact O-CB 3.29Å; V723-F727 PolarHBondContact O-N 3.39Å; V723-F727 VanDerWaalsContact O-N 3.11Å; F727-Y729 PolarHBondContact O-N 3.33Å; F727-F734 HydrophobicContact CD1-CD2 4.2Å; F727-F734 HydrophobicContact CD1-CE2 4.32Å; F727-F734 HydrophobicContact CD2-CD2 4.13Å; F727-F734 HydrophobicContact CE1-CD2 4.23Å; F727-F734 AromaticContact CE1-CE2 3.9Å; F727-F734 HydrophobicContact CE1-CE2 3.9Å; F727-F734 HydrophobicContact CE2-CD2 4.11Å; F727-F734 HydrophobicContact CE2-CE2 4.07Å; F727-F734 HydrophobicContact CG-CD2 4.13Å; F727-F734 HydrophobicContact CZ-CD2 4.18Å; F727-F734 AromaticContact CZ-CE2 3.75Å; F727-F734 HydrophobicContact CZ-CE2 3.75Å; F727-F734 HydrophobicContact CZ-CZ 4.29Å
728	C	52.9	Low	66.3	Low	103 Å²	103	62.7 Å²	62.7	70%	0.696	32%	0.322	S	S	*	.			trans	-58.1	130.2	161.6	-73.3	0	0	0	0	108.4	E730 Q731	C728-E730 PolarHBondContact O-N 3.48Å; C728-Q731 PolarHBondContact O-N 3.09Å
729	Y	49.7	Very low	66.2	Low	73 Å²	73	60.8 Å²	60.8	29%	0.286	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43	-13.4	179.9	-108.1	-89.8	0	0	0	116.4	K724 F727 I738	K724-Y729 HydrophobicContact CD-CE2 4.36Å; K724-Y729 HydrophobicContact CG-CE2 3.98Å; F727-Y729 PolarHBondContact O-N 3.33Å; Y729-I738 HydrophobicContact CE1-CG2 3.76Å; Y729-I738 WeakPolarHBondContact OH-CG2 3.17Å
730	E	48.3	Very low	66.1	Low	178 Å²	178	61.1 Å²	61.1	83%	0.832	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.6	-175.5	-64.3	-175.1	164.1	0	0	114.5	C728 L732	C728-E730 PolarHBondContact O-N 3.48Å; E730-L732 PolarHBondContact O-N 2.97Å
731	Q	55.1	Low	66.2	Low	89 Å²	89	61.7 Å²	61.7	42%	0.416	32%	0.32	S	S	.	.			trans	-74	112.8	175.6	-67.3	-167.7	11.1	0	0	111.4	C728 F734 K735	C728-Q731 PolarHBondContact O-N 3.09Å; Q731-F734 HydrophobicContact CB-CD2 3.99Å; Q731-F734 PolarHBondContact O-N 3.48Å; Q731-K735 PolarHBondContact O-N 2.73Å; Q731-K735 VanDerWaalsContact O-N 3.14Å
732	L	50.6	Low	66.2	Low	157 Å²	157	60.8 Å²	60.8	82%	0.822	32%	0.316	S	S	*	.	H	α-helix	trans	-49.6	-47.4	-169.8	-88.2	146.7	0	0	0	117.3	E730 F734	E730-L732 PolarHBondContact O-N 2.97Å; L732-F734 VanDerWaalsContact C-N 3.34Å; L732-F734 PolarHBondContact O-N 3.33Å
733	P	54.4	Low	65.9	Low	71 Å²	71	58.5 Å²	58.5	46%	0.461	31%	0.306	S	S	.	.	H	α-helix	trans	-68.7	-34.3	-177	23.4	-30.2	0	0	0	112.4
734	F	63.3	Low	65.7	Low	9 Å²	9	59 Å²	59	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-87.9	-26.3	-172.6	-48.9	-52.8	0	0	0	113.3	I658 V723 F727 Q731 L732 A736 L737 I738	I658-F734 HydrophobicContact CB-CE1 4.41Å; I658-F734 HydrophobicContact CD1-CZ 4.49Å; I658-F734 HydrophobicContact CG2-CD1 3.85Å; I658-F734 HydrophobicContact CG2-CE1 3.33Å; I658-F734 HydrophobicContact CG2-CZ 4.05Å; V723-F734 HydrophobicContact CG1-CB 4.37Å; F727-F734 HydrophobicContact CD1-CD2 4.2Å; F727-F734 HydrophobicContact CD1-CE2 4.32Å; F727-F734 HydrophobicContact CD2-CD2 4.13Å; F727-F734 HydrophobicContact CE1-CD2 4.23Å; F727-F734 AromaticContact CE1-CE2 3.9Å; F727-F734 HydrophobicContact CE1-CE2 3.9Å; F727-F734 HydrophobicContact CE2-CD2 4.11Å; F727-F734 HydrophobicContact CE2-CE2 4.07Å; F727-F734 HydrophobicContact CG-CD2 4.13Å; F727-F734 HydrophobicContact CZ-CD2 4.18Å; F727-F734 AromaticContact CZ-CE2 3.75Å; F727-F734 HydrophobicContact CZ-CE2 3.75Å; F727-F734 HydrophobicContact CZ-CZ 4.29Å; Q731-F734 HydrophobicContact CB-CD2 3.99Å; Q731-F734 PolarHBondContact O-N 3.48Å; L732-F734 VanDerWaalsContact C-N 3.34Å; L732-F734 PolarHBondContact O-N 3.33Å; F734-A736 PolarHBondContact O-N 3.31Å; F734-L737 PolarHBondContact O-N 3.41Å; F734-L737 VanDerWaalsContact O-N 3.16Å; F734-I738 PolarHBondContact O-N 3.02Å
735	K	69.1	Low	65.4	Low	98 Å²	98	57 Å²	57	43%	0.426	30%	0.3	S	S	.	.	H	α-helix	trans	-54.3	-41.7	172.8	-178.1	175.7	178	-179.6	0	111.6	Q731 L737 I738 D739	Q731-K735 PolarHBondContact O-N 2.73Å; Q731-K735 VanDerWaalsContact O-N 3.14Å; K735-L737 PolarHBondContact O-N 3.47Å; K735-I738 PolarHBondContact O-N 3.15Å; K735-D739 VanDerWaalsContact CE-OD2 3.24Å; K735-D739 WeakPolarHBondContact CE-OD2 3.44Å; K735-D739 WeakPolarHBondContact CG-OD2 3.42Å; K735-D739 WeakPolarHBondContact O-CB 3.44Å; K735-D739 PolarHBondContact O-N 3.48Å
736	A	69.3	Low	64.8	Low	64 Å²	64	53.1 Å²	53.1	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-40.1	179.3	0	0	0	0	0	112.9	F734 S740	F734-A736 PolarHBondContact O-N 3.31Å; A736-S740 VanDerWaalsContact O-CB 3.3Å; A736-S740 WeakPolarHBondContact O-CB 3.37Å; A736-S740 PolarHBondContact O-N 3.43Å; A736-S740 VanDerWaalsContact O-N 3.11Å; A736-S740 PolarHBondContact O-OG 2.94Å
737	L	71.2	Confident	64.1	Low	18 Å²	18	49.5 Å²	49.5	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-49.5	177.1	-177.9	66.1	0	0	0	110.9	V665 L720 F734 K735 S740 Y741	V665-L737 HydrophobicContact CB-CD1 4.03Å; V665-L737 HydrophobicContact CG1-CD1 3.65Å; V665-L737 HydrophobicContact CG2-CD1 4.45Å; L720-L737 HydrophobicContact CD2-CD1 4.38Å; L720-L737 HydrophobicContact CD2-CD2 4.04Å; L720-L737 HydrophobicContact CD2-CG 3.84Å; F734-L737 PolarHBondContact O-N 3.41Å; F734-L737 VanDerWaalsContact O-N 3.16Å; K735-L737 PolarHBondContact O-N 3.47Å; L737-S740 PolarHBondContact O-N 3.47Å; L737-S740 PolarHBondContact O-OG 3.02Å; L737-Y741 HydrophobicContact CD1-CD2 4.46Å; L737-Y741 HydrophobicContact CD1-CE2 4.44Å; L737-Y741 PolarHBondContact O-N 2.92Å
738	I	73.8	Confident	63.6	Low	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-48.8	177.8	-67.5	173.4	0	0	0	110.8	V723 K724 Y729 F734 K735 S740 Y741 D742 L745	V723-I738 HydrophobicContact CG1-CD1 4.22Å; V723-I738 HydrophobicContact CG1-CG1 4.42Å; K724-I738 HydrophobicContact CB-CD1 4.12Å; Y729-I738 HydrophobicContact CE1-CG2 3.76Å; Y729-I738 WeakPolarHBondContact OH-CG2 3.17Å; F734-I738 PolarHBondContact O-N 3.02Å; K735-I738 PolarHBondContact O-N 3.15Å; I738-S740 PolarHBondContact O-N 2.99Å; I738-S740 VanDerWaalsContact O-N 3.17Å; I738-Y741 CarbonylContact O-C 3.32Å; I738-Y741 PolarHBondContact O-N 3.25Å; I738-D742 PolarHBondContact O-N 2.96Å; I738-L745 HydrophobicContact CB-CD1 4.43Å; I738-L745 HydrophobicContact CG2-CD1 3.81Å
739	D	75.3	Confident	63.4	Low	45 Å²	45	52.8 Å²	52.8	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-28.7	-179.4	-75.8	-8.4	0	0	0	111.7	K735 T790	K735-D739 VanDerWaalsContact CE-OD2 3.24Å; K735-D739 WeakPolarHBondContact CE-OD2 3.44Å; K735-D739 WeakPolarHBondContact CG-OD2 3.42Å; K735-D739 WeakPolarHBondContact O-CB 3.44Å; K735-D739 PolarHBondContact O-N 3.48Å; D739-T790 HydrophobicContact CB-CG2 4.17Å; D739-T790 WeakPolarHBondContact O-CG2 3.34Å; D739-T790 PolarHBondContact O-OG1 3.41Å
740	S	75.2	Confident	63.4	Low	9 Å²	9	51.6 Å²	51.6	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-80.3	-14	178.4	78	0	0	0	0	114.6	A736 L737 I738 A793 R796	A736-S740 VanDerWaalsContact O-CB 3.3Å; A736-S740 WeakPolarHBondContact O-CB 3.37Å; A736-S740 PolarHBondContact O-N 3.43Å; A736-S740 VanDerWaalsContact O-N 3.11Å; A736-S740 PolarHBondContact O-OG 2.94Å; L737-S740 PolarHBondContact O-N 3.47Å; L737-S740 PolarHBondContact O-OG 3.02Å; I738-S740 PolarHBondContact O-N 2.99Å; I738-S740 VanDerWaalsContact O-N 3.17Å; S740-A793 VanDerWaalsContact O-CA 3.23Å; S740-A793 WeakPolarHBondContact O-CA 3.28Å; S740-A793 WeakPolarHBondContact O-CB 3.39Å; S740-R796 VanDerWaalsContact CB-NH1 3.28Å; S740-R796 WeakPolarHBondContact O-CD 3.17Å; S740-R796 PolarHBondContact OG-NH1 2.95Å
741	Y	76.8	Confident	63.2	Low	14 Å²	14	47 Å²	47	6%	0.055	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	23.7	176.9	-72.8	-85.6	0	0	0	112	V665 D669 L716 L720 L737 I738 G743 L744 L745	V665-Y741 HydrophobicContact CG1-CD2 4.35Å; V665-Y741 HydrophobicContact CG1-CE2 3.35Å; V665-Y741 WeakPolarHBondContact CG1-OH 3.5Å; D669-Y741 PolarHBondContact OD1-OH 3.4Å; L716-Y741 HydrophobicContact CD2-CD1 4.3Å; L716-Y741 HydrophobicContact CD2-CE1 3.83Å; L720-Y741 HydrophobicContact CD1-CD1 4.25Å; L720-Y741 HydrophobicContact CD1-CD2 4.17Å; L720-Y741 HydrophobicContact CD1-CG 3.76Å; L737-Y741 HydrophobicContact CD1-CD2 4.46Å; L737-Y741 HydrophobicContact CD1-CE2 4.44Å; L737-Y741 PolarHBondContact O-N 2.92Å; I738-Y741 CarbonylContact O-C 3.32Å; I738-Y741 PolarHBondContact O-N 3.25Å; Y741-G743 PolarHBondContact O-N 3.4Å; Y741-L744 WeakPolarHBondContact O-CB 3.28Å; Y741-L744 PolarHBondContact O-N 3.5Å; Y741-L745 PolarHBondContact O-N 2.88Å
742	D	75.4	Confident	62.9	Low	3 Å²	3	44.9 Å²	44.9	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-34	-178.3	72	-3.1	0	0	0	112.5	I738 L744 L745 D746 R789 T790 A793	I738-D742 PolarHBondContact O-N 2.96Å; D742-L744 PolarHBondContact O-N 3.28Å; D742-L744 VanDerWaalsContact O-N 3.11Å; D742-L745 PolarHBondContact O-N 3.16Å; D742-D746 PolarHBondContact O-N 2.99Å; D742-D746 VanDerWaalsContact O-N 3.11Å; D742-R789 WeakPolarHBondContact OD2-CA 3.26Å; D742-R789 WeakPolarHBondContact OD2-CB 3.31Å; D742-R789 PolarHBondContact OD2-N 3.33Å; D742-T790 PolarHBondContact OD2-N 2.8Å; D742-A793 WeakPolarHBondContact OD1-CB 3.43Å
743	G	69.6	Low	62.6	Low	4 Å²	4	38.3 Å²	38.3	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-13.7	174.7	0	0	0	0	0	114.3	Y741 F784 C788	Y741-G743 PolarHBondContact O-N 3.4Å; G743-F784 VanDerWaalsContact O-CB 3.23Å; G743-F784 WeakPolarHBondContact O-CB 3.39Å; G743-C788 WeakPolarHBondContact CA-SG 3.43Å
744	L	71.2	Confident	62.3	Low	10 Å²	10	40.4 Å²	40.4	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-96.9	-26.7	171.8	-158.3	71.7	0	0	0	112.3	Y717 L720 Y741 D742 L781	Y717-L744 HydrophobicContact CD2-CD2 4.31Å; Y717-L744 HydrophobicContact CD2-CG 4.02Å; Y717-L744 WeakPolarHBondContact CD2-O 3.37Å; Y717-L744 VanDerWaalsContact CE2-O 3.26Å; Y717-L744 WeakPolarHBondContact CE2-O 3.23Å; L720-L744 HydrophobicContact CD1-CD2 4.32Å; Y741-L744 WeakPolarHBondContact O-CB 3.28Å; Y741-L744 PolarHBondContact O-N 3.5Å; D742-L744 PolarHBondContact O-N 3.28Å; D742-L744 VanDerWaalsContact O-N 3.11Å; L744-L781 HydrophobicContact CD1-CD2 4.05Å
745	L	68.3	Low	61.2	Low	4 Å²	4	41.6 Å²	41.6	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-97	-21	-169.3	-67.7	168.1	0	0	0	115.3	L720 E721 K724 I738 Y741 D742 H747	L720-L745 HydrophobicContact CB-CD1 4.13Å; L720-L745 HydrophobicContact CB-CD2 3.67Å; L720-L745 HydrophobicContact CB-CG 4.24Å; E721-L745 HydrophobicContact CB-CD2 4.18Å; E721-L745 WeakPolarHBondContact OE2-CD2 3.24Å; K724-L745 HydrophobicContact CD-CB 4.18Å; K724-L745 HydrophobicContact CD-CD1 4.32Å; K724-L745 HydrophobicContact CD-CD2 4.46Å; K724-L745 PolarHBondContact NZ-O 3.22Å; I738-L745 HydrophobicContact CB-CD1 4.43Å; I738-L745 HydrophobicContact CG2-CD1 3.81Å; Y741-L745 PolarHBondContact O-N 2.88Å; D742-L745 PolarHBondContact O-N 3.16Å; L745-H747 PolarHBondContact O-N 3.19Å
746	D	60.5	Low	60.1	Low	40 Å²	40	43.1 Å²	43.1	21%	0.214	25%	0.252	C	S	.	.			trans	-96.5	58.8	-174.5	-79.4	-7.1	0	0	0	112.7	K724 D742 R789	K724-D746 IonicContact NZ-OD1 3.24Å; K724-D746 PolarHBondContact NZ-OD1 3.34Å; D742-D746 PolarHBondContact O-N 2.99Å; D742-D746 VanDerWaalsContact O-N 3.11Å; D746-R789 IonicContact OD1-NH2 2.75Å; D746-R789 IonicContact OD2-CZ 3.85Å; D746-R789 IonicContact OD2-NE 3.73Å; D746-R789 PolarHBondContact OD2-NE 2.93Å; D746-R789 VanDerWaalsContact OD2-NE 3.17Å; D746-R789 IonicContact OD2-NH2 3.18Å; D746-R789 PolarHBondContact OD2-NH2 2.8Å
747	H	53.4	Low	58.9	Low	23 Å²	23	43.4 Å²	43.4	11%	0.106	25%	0.245	C	C	.	.			trans	-94.2	131.7	-170.6	-166.3	-78.1	0	0	0	113.3	L745 N749 S750 L753 Y780 F784	L745-H747 PolarHBondContact O-N 3.19Å; H747-N749 VanDerWaalsContact C-N 3.34Å; H747-N749 VanDerWaalsContact CE1-CA 3.44Å; H747-N749 WeakPolarHBondContact CE1-CA 3.45Å; H747-N749 WeakPolarHBondContact CE1-CB 3.27Å; H747-N749 PolarHBondContact CE1-N 2.98Å; H747-N749 PolarHBondContact CE1-O 3.4Å; H747-N749 WeakPolarHBondContact ND1-CA 3.44Å; H747-N749 PolarHBondContact ND1-N 3.1Å; H747-N749 PolarHBondContact ND1-O 3.1Å; H747-N749 PolarHBondContact O-N 2.76Å; H747-S750 PolarHBondContact ND1-N 2.96Å; H747-S750 VanDerWaalsContact ND1-N 3.17Å; H747-L753 WeakPolarHBondContact CD2-CD1 3.31Å; H747-Y780 PolarHBondContact CE1-OH 2.96Å; H747-Y780 AromaticContact NE2-CE1 3.62Å; H747-Y780 AromaticContact NE2-CZ 3.47Å; H747-Y780 PolarHBondContact NE2-OH 3.2Å; H747-F784 AromaticContact CD2-CE1 3.72Å; H747-F784 AromaticContact CD2-CE2 3.93Å; H747-F784 AromaticContact CD2-CZ 3.27Å; H747-F784 WeakPolarHBondContact CD2-CZ 3.04Å; H747-F784 AromaticContact NE2-CZ 3.46Å; H747-F784 WeakPolarHBondContact NE2-CZ 3.49Å
748	P	51.8	Low	57.6	Low	108 Å²	108	43.5 Å²	43.5	70%	0.701	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.2	176.8	25.1	-30.4	0	0	0	115
749	N	50	Low	56.2	Low	90 Å²	90	45.2 Å²	45.2	48%	0.481	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	44.1	-178.1	-91.6	4.8	0	0	0	111.7	H747 S751 I752	H747-N749 VanDerWaalsContact C-N 3.34Å; H747-N749 VanDerWaalsContact CE1-CA 3.44Å; H747-N749 WeakPolarHBondContact CE1-CA 3.45Å; H747-N749 WeakPolarHBondContact CE1-CB 3.27Å; H747-N749 PolarHBondContact CE1-N 2.98Å; H747-N749 PolarHBondContact CE1-O 3.4Å; H747-N749 WeakPolarHBondContact ND1-CA 3.44Å; H747-N749 PolarHBondContact ND1-N 3.1Å; H747-N749 PolarHBondContact ND1-O 3.1Å; H747-N749 PolarHBondContact O-N 2.76Å; N749-S751 PolarHBondContact O-N 3.35Å; N749-I752 HydrophobicContact CB-CD1 4.15Å; N749-I752 PolarHBondContact O-N 3.2Å
750	S	48	Very low	54.6	Low	47 Å²	47	47 Å²	47	33%	0.329	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-20.1	-168.9	67.2	0	0	0	0	115.3	H747 I752 K754	H747-S750 PolarHBondContact ND1-N 2.96Å; H747-S750 VanDerWaalsContact ND1-N 3.17Å; S750-I752 PolarHBondContact O-N 3.3Å; S750-K754 WeakPolarHBondContact O-CG 3.5Å; S750-K754 PolarHBondContact O-N 3.09Å
751	S	45.4	Very low	53	Low	82 Å²	82	49 Å²	49	57%	0.573	28%	0.279	S	S	*	.	H	α-helix	trans	-56.5	-40.5	173.3	5	0	0	0	0	114.2	N749 L753 K754 S755	N749-S751 PolarHBondContact O-N 3.35Å; S751-L753 PolarHBondContact O-N 2.98Å; S751-K754 PolarHBondContact O-N 3.17Å; S751-S755 PolarHBondContact O-N 3.36Å; S751-S755 VanDerWaalsContact O-N 3.12Å; S751-S755 PolarHBondContact O-OG 2.83Å
752	I	47.7	Very low	51.3	Low	45 Å²	45	51.4 Å²	51.4	23%	0.231	29%	0.29	C	S	.	.	H	α-helix	trans	-67.3	-35.5	-171.7	-61.7	172.1	0	0	0	112	N749 S750 S755 F762	N749-I752 HydrophobicContact CB-CD1 4.15Å; N749-I752 PolarHBondContact O-N 3.2Å; S750-I752 PolarHBondContact O-N 3.3Å; I752-S755 PolarHBondContact O-OG 2.93Å; I752-S755 VanDerWaalsContact O-OG 3.09Å; I752-F762 HydrophobicContact CG2-CD2 4.48Å; I752-F762 HydrophobicContact CG2-CE2 4.22Å
753	L	45.2	Very low	49.8	Very low	19 Å²	19	52.7 Å²	52.7	10%	0.099	30%	0.296	C	S	.	.	H	α-helix	trans	-82.5	-25.6	176.4	-73.3	133.2	0	0	0	112.9	Y717 H747 S751 L758	Y717-L753 HydrophobicContact CD1-CB 3.45Å; Y717-L753 VanDerWaalsContact CD1-CB 3.45Å; Y717-L753 HydrophobicContact CD1-CD2 4.06Å; Y717-L753 HydrophobicContact CD1-CG 4.27Å; Y717-L753 HydrophobicContact CD2-CB 4.3Å; Y717-L753 HydrophobicContact CD2-CD1 4.14Å; Y717-L753 HydrophobicContact CD2-CD2 3.85Å; Y717-L753 HydrophobicContact CD2-CG 4.35Å; Y717-L753 HydrophobicContact CE1-CB 3.15Å; Y717-L753 HydrophobicContact CE1-CD1 4.36Å; Y717-L753 HydrophobicContact CE1-CD2 4.43Å; Y717-L753 HydrophobicContact CE1-CG 4.17Å; Y717-L753 HydrophobicContact CE2-CB 4.04Å; Y717-L753 HydrophobicContact CE2-CD1 3.69Å; Y717-L753 HydrophobicContact CE2-CD2 4.22Å; Y717-L753 HydrophobicContact CE2-CG 4.23Å; Y717-L753 HydrophobicContact CG-CB 3.99Å; Y717-L753 HydrophobicContact CG-CD2 3.71Å; Y717-L753 HydrophobicContact CG-CG 4.33Å; Y717-L753 VanDerWaalsContact CZ-CB 3.45Å; H747-L753 WeakPolarHBondContact CD2-CD1 3.31Å; S751-L753 PolarHBondContact O-N 2.98Å; L753-L758 HydrophobicContact CB-CD1 4.05Å; L753-L758 HydrophobicContact CD2-CD1 3.11Å; L753-L758 HydrophobicContact CD2-CG 4.48Å; L753-L758 HydrophobicContact CG-CD1 3.44Å; L753-L758 VanDerWaalsContact CG-CD1 3.44Å; L753-L758 HydrophobicContact CG-CG 4.48Å
754	K	47.6	Very low	48.6	Very low	115 Å²	115	56.7 Å²	56.7	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-72.4	-32.6	177.3	-78.8	-171.3	176.3	-163.4	0	112.2	Y717 E725 S750 S751	Y717-K754 HydrophobicContact CE1-CG 4.42Å; E725-K754 IonicContact OE1-NZ 2.66Å; E725-K754 PolarHBondContact OE1-NZ 2.97Å; S750-K754 WeakPolarHBondContact O-CG 3.5Å; S750-K754 PolarHBondContact O-N 3.09Å; S751-K754 PolarHBondContact O-N 3.17Å
755	S	40.8	Very low	47.1	Very low	34 Å²	34	59.9 Å²	59.9	24%	0.238	33%	0.333	C	S	.	.	S	Bend	trans	-76.9	142.6	173.9	40.5	0	0	0	0	110.1	S751 I752 D757 L758	S751-S755 PolarHBondContact O-N 3.36Å; S751-S755 VanDerWaalsContact O-N 3.12Å; S751-S755 PolarHBondContact O-OG 2.83Å; I752-S755 PolarHBondContact O-OG 2.93Å; I752-S755 VanDerWaalsContact O-OG 3.09Å; S755-D757 WeakPolarHBondContact CB-OD2 3.45Å; S755-D757 PolarHBondContact O-N 2.89Å; S755-D757 VanDerWaalsContact OG-CB 3.25Å; S755-D757 WeakPolarHBondContact OG-CB 3.21Å; S755-D757 PolarHBondContact OG-OD2 3.17Å; S755-L758 PolarHBondContact O-N 2.89Å
756	D	45.2	Very low	46.1	Very low	129 Å²	129	68.9 Å²	68.9	69%	0.69	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-9.1	159.1	-70.8	-42	0	0	0	112.1	L758 S759 D760	D756-L758 VanDerWaalsContact C-N 3.28Å; D756-L758 PolarHBondContact O-N 2.91Å; D756-S759 CarbonylContact O-C 3.56Å; D756-S759 WeakPolarHBondContact O-CA 3.4Å; D756-S759 WeakPolarHBondContact O-CB 3.37Å; D756-S759 PolarHBondContact O-N 3.14Å; D756-S759 PolarHBondContact O-OG 2.77Å; D756-D760 PolarHBondContact O-N 3.05Å
757	D	45	Very low	45.4	Very low	71 Å²	71	76.1 Å²	76.1	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-57	-18.1	168.3	-62.8	-21.7	0	0	0	116	S755 S759 D760 T761 F762	S755-D757 WeakPolarHBondContact CB-OD2 3.45Å; S755-D757 PolarHBondContact O-N 2.89Å; S755-D757 VanDerWaalsContact OG-CB 3.25Å; S755-D757 WeakPolarHBondContact OG-CB 3.21Å; S755-D757 PolarHBondContact OG-OD2 3.17Å; D757-S759 VanDerWaalsContact C-N 3.35Å; D757-D760 PolarHBondContact O-N 3.31Å; D757-T761 HydrophobicContact CB-CG2 3.54Å; D757-T761 VanDerWaalsContact O-CA 3.23Å; D757-T761 WeakPolarHBondContact O-CA 3.14Å; D757-T761 VanDerWaalsContact O-CB 3.25Å; D757-T761 WeakPolarHBondContact O-CB 3.29Å; D757-T761 PolarHBondContact O-N 3.25Å; D757-T761 PolarHBondContact O-OG1 3.23Å; D757-F762 PolarHBondContact O-N 3.06Å
758	L	42.9	Very low	44.9	Very low	20 Å²	20	76.6 Å²	76.6	11%	0.105	42%	0.416	C	S	.	.	I	π-helix	trans	-67.8	-44.5	167.4	-113.5	176.9	0	0	0	110.5	L753 S755 D756 F762 M763	L753-L758 HydrophobicContact CB-CD1 4.05Å; L753-L758 HydrophobicContact CD2-CD1 3.11Å; L753-L758 HydrophobicContact CD2-CG 4.48Å; L753-L758 HydrophobicContact CG-CD1 3.44Å; L753-L758 VanDerWaalsContact CG-CD1 3.44Å; L753-L758 HydrophobicContact CG-CG 4.48Å; S755-L758 PolarHBondContact O-N 2.89Å; D756-L758 VanDerWaalsContact C-N 3.28Å; D756-L758 PolarHBondContact O-N 2.91Å; L758-F762 HydrophobicContact CD2-CB 4.24Å; L758-F762 HydrophobicContact CD2-CD2 4.27Å; L758-F762 PolarHBondContact O-N 2.99Å; L758-M763 PolarHBondContact O-N 3.35Å
759	S	45.4	Very low	45.1	Very low	38 Å²	38	74.3 Å²	74.3	27%	0.266	40%	0.402	S	S	.	.	I	π-helix	trans	-61.8	-44.3	164.7	30.5	0	0	0	0	110.6	D756 D757 M763 N764	D756-S759 CarbonylContact O-C 3.56Å; D756-S759 WeakPolarHBondContact O-CA 3.4Å; D756-S759 WeakPolarHBondContact O-CB 3.37Å; D756-S759 PolarHBondContact O-N 3.14Å; D756-S759 PolarHBondContact O-OG 2.77Å; D757-S759 VanDerWaalsContact C-N 3.35Å; S759-M763 CarbonylContact O-C 3.51Å; S759-M763 WeakPolarHBondContact O-CA 3.2Å; S759-M763 PolarHBondContact O-N 2.99Å; S759-N764 WeakPolarHBondContact O-CA 3.4Å; S759-N764 WeakPolarHBondContact O-CB 3.29Å; S759-N764 PolarHBondContact O-N 3.3Å; S759-N764 PolarHBondContact O-ND2 3.19Å; S759-N764 PolarHBondContact O-OD1 2.88Å
760	D	42	Very low	45.4	Very low	82 Å²	82	74.3 Å²	74.3	44%	0.439	40%	0.4	S	S	.	.	I	π-helix	trans	-87.6	-45.4	-169.7	-68	-20.4	0	0	0	115.5	D756 D757 N764 N765	D756-D760 PolarHBondContact O-N 3.05Å; D757-D760 PolarHBondContact O-N 3.31Å; D760-N764 CarbonylContact O-C 3.5Å; D760-N764 PolarHBondContact OD1-ND2 3.14Å; D760-N765 WeakPolarHBondContact O-CA 3.34Å; D760-N765 PolarHBondContact O-N 3.27Å
761	T	40	Very low	45.7	Very low	51 Å²	51	78 Å²	78	31%	0.313	41%	0.412	S	S	.	.	I	π-helix	trans	-82.8	-22.1	178.9	67.7	0	0	0	0	115.3	D757 N765	D757-T761 HydrophobicContact CB-CG2 3.54Å; D757-T761 VanDerWaalsContact O-CA 3.23Å; D757-T761 WeakPolarHBondContact O-CA 3.14Å; D757-T761 VanDerWaalsContact O-CB 3.25Å; D757-T761 WeakPolarHBondContact O-CB 3.29Å; D757-T761 PolarHBondContact O-N 3.25Å; D757-T761 PolarHBondContact O-OG1 3.23Å; T761-N765 WeakPolarHBondContact O-CB 3.48Å; T761-N765 VanDerWaalsContact O-CG 3.29Å; T761-N765 PolarHBondContact O-ND2 3.25Å
762	F	42.2	Very low	46.6	Very low	65 Å²	65	78.3 Å²	78.3	29%	0.285	41%	0.407	S	S	.	.	I	π-helix	trans	-118.1	-41.9	176	-74.2	-72.8	0	0	0	114.1	I752 D757 L758 K773 V776	I752-F762 HydrophobicContact CG2-CD2 4.48Å; I752-F762 HydrophobicContact CG2-CE2 4.22Å; D757-F762 PolarHBondContact O-N 3.06Å; L758-F762 HydrophobicContact CD2-CB 4.24Å; L758-F762 HydrophobicContact CD2-CD2 4.27Å; L758-F762 PolarHBondContact O-N 2.99Å; F762-K773 WeakPolarHBondContact O-CB 3.25Å; F762-K773 WeakPolarHBondContact O-CD 3.43Å; F762-K773 WeakPolarHBondContact O-CG 3.45Å; F762-V776 HydrophobicContact CD1-CG1 3.73Å; F762-V776 HydrophobicContact CE1-CG1 3.46Å; F762-V776 VanDerWaalsContact CE1-CG1 3.46Å; F762-V776 HydrophobicContact CZ-CG1 4.46Å
763	M	43.6	Very low	47.4	Very low	29 Å²	29	76.7 Å²	76.7	14%	0.143	40%	0.398	C	S	.	.	I	π-helix	trans	-91.7	-26.9	-177.2	-58.4	-65.9	-89.5	0	0	114.2	L758 S759 K773	L758-M763 PolarHBondContact O-N 3.35Å; S759-M763 CarbonylContact O-C 3.51Å; S759-M763 WeakPolarHBondContact O-CA 3.2Å; S759-M763 PolarHBondContact O-N 2.99Å; M763-K773 VanDerWaalsContact O-CD 3.26Å; M763-K773 WeakPolarHBondContact O-CD 3.41Å; M763-K773 WeakPolarHBondContact O-CE 3.4Å; M763-K773 PolarHBondContact O-NZ 3.2Å
764	N	44.1	Very low	48.6	Very low	89 Å²	89	75.8 Å²	75.8	48%	0.476	39%	0.393	S	S	.	.	S	Bend	trans	-113.1	5.8	-177.8	-54	-28.4	0	0	0	111.8	S759 D760 E766	S759-N764 WeakPolarHBondContact O-CA 3.4Å; S759-N764 WeakPolarHBondContact O-CB 3.29Å; S759-N764 PolarHBondContact O-N 3.3Å; S759-N764 PolarHBondContact O-ND2 3.19Å; S759-N764 PolarHBondContact O-OD1 2.88Å; D760-N764 CarbonylContact O-C 3.5Å; D760-N764 PolarHBondContact OD1-ND2 3.14Å; N764-E766 PolarHBondContact O-N 3.12Å
765	N	39.6	Very low	49.8	Very low	77 Å²	77	72.6 Å²	72.6	41%	0.412	38%	0.38	S	S	.	.			trans	-60	102.4	178.9	-141.8	-7.3	0	0	0	108.6	D760 T761 E767 A768 K773	D760-N765 WeakPolarHBondContact O-CA 3.34Å; D760-N765 PolarHBondContact O-N 3.27Å; T761-N765 WeakPolarHBondContact O-CB 3.48Å; T761-N765 VanDerWaalsContact O-CG 3.29Å; T761-N765 PolarHBondContact O-ND2 3.25Å; N765-E767 PolarHBondContact O-N 3.11Å; N765-A768 PolarHBondContact O-N 2.8Å; N765-K773 WeakPolarHBondContact O-CE 3.44Å; N765-K773 PolarHBondContact O-NZ 3.03Å; N765-K773 VanDerWaalsContact O-NZ 3.13Å
766	E	46.8	Very low	51.3	Low	192 Å²	192	74 Å²	74	90%	0.897	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.5	-165.1	-69.6	-168.6	157	0	0	113.1	N764	N764-E766 PolarHBondContact O-N 3.12Å
767	E	46.5	Very low	52.6	Low	192 Å²	192	68.8 Å²	68.8	90%	0.897	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-13.8	-176.3	-63.3	-173	164.8	0	0	114.2	N765	N765-E767 PolarHBondContact O-N 3.11Å
768	A	43.6	Very low	54.2	Low	33 Å²	33	65.4 Å²	65.4	27%	0.273	34%	0.342	S	S	.	.	S	Bend	trans	-93.9	131.4	176.3	0	0	0	0	0	110.2	N765 E770 N772 K773	N765-A768 PolarHBondContact O-N 2.8Å; A768-E770 PolarHBondContact O-N 3.28Å; A768-N772 HydrophobicContact CB-CB 4.48Å; A768-K773 HydrophobicContact CB-CG 3.92Å; A768-K773 WeakPolarHBondContact O-CE 3.24Å
769	S	55	Low	56	Low	61 Å²	61	67.2 Å²	67.2	43%	0.427	35%	0.351	S	S	.	.			trans	-49.7	136.4	163.3	-179.3	0	0	0	0	108.9	E771 N772 K773	S769-E771 PolarHBondContact O-N 3.44Å; S769-N772 PolarHBondContact O-N 3.35Å; S769-K773 PolarHBondContact O-N 3.23Å
770	E	56	Low	57.4	Low	90 Å²	90	67.8 Å²	67.8	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-47.2	-32.6	176	-73	-62.8	128.1	0	0	112.4	A768 N772 K773	A768-E770 PolarHBondContact O-N 3.28Å; E770-N772 PolarHBondContact O-N 2.98Å; E770-K773 PolarHBondContact O-N 3.33Å; E770-K773 IonicContact OE1-NZ 3.81Å; E770-K773 PolarHBondContact OE1-NZ 2.77Å
771	E	56	Low	59.2	Low	125 Å²	125	64.3 Å²	64.3	58%	0.584	33%	0.329	S	S	*	.	H	α-helix	trans	-58.6	-44	175.1	-61	175.4	160.6	0	0	113.1	S769 K773 F808	S769-E771 PolarHBondContact O-N 3.44Å; E771-K773 VanDerWaalsContact C-N 3.32Å; E771-K773 PolarHBondContact O-N 3.14Å; E771-F808 HydrophobicContact CG-CD1 4.34Å; E771-F808 HydrophobicContact CG-CE1 4.38Å
772	N	62.8	Low	61.3	Low	88 Å²	88	62.4 Å²	62.4	47%	0.471	32%	0.317	S	S	.	.	H	α-helix	trans	-71.8	-28.6	-178.6	-72.8	-18.4	0	0	0	111.7	A768 S769 E770 V776	A768-N772 HydrophobicContact CB-CB 4.48Å; S769-N772 PolarHBondContact O-N 3.35Å; E770-N772 PolarHBondContact O-N 2.98Å; N772-V776 WeakPolarHBondContact O-CB 3.46Å; N772-V776 WeakPolarHBondContact O-CG2 3.42Å; N772-V776 PolarHBondContact O-N 3.33Å
773	K	65.6	Low	63.2	Low	10 Å²	10	65.5 Å²	65.5	4%	0.043	33%	0.333	C	S	.	.	H	α-helix	trans	-69.7	-47.5	-175.4	-63.3	179.7	175.3	173.4	0	112.4	F762 M763 N765 A768 S769 E770 E771 V776 T777	F762-K773 WeakPolarHBondContact O-CB 3.25Å; F762-K773 WeakPolarHBondContact O-CD 3.43Å; F762-K773 WeakPolarHBondContact O-CG 3.45Å; M763-K773 VanDerWaalsContact O-CD 3.26Å; M763-K773 WeakPolarHBondContact O-CD 3.41Å; M763-K773 WeakPolarHBondContact O-CE 3.4Å; M763-K773 PolarHBondContact O-NZ 3.2Å; N765-K773 WeakPolarHBondContact O-CE 3.44Å; N765-K773 PolarHBondContact O-NZ 3.03Å; N765-K773 VanDerWaalsContact O-NZ 3.13Å; A768-K773 HydrophobicContact CB-CG 3.92Å; A768-K773 WeakPolarHBondContact O-CE 3.24Å; S769-K773 PolarHBondContact O-N 3.23Å; E770-K773 PolarHBondContact O-N 3.33Å; E770-K773 IonicContact OE1-NZ 3.81Å; E770-K773 PolarHBondContact OE1-NZ 2.77Å; E771-K773 VanDerWaalsContact C-N 3.32Å; E771-K773 PolarHBondContact O-N 3.14Å; K773-V776 PolarHBondContact O-N 3.39Å; K773-T777 WeakPolarHBondContact O-CB 3.38Å; K773-T777 PolarHBondContact O-N 3.2Å; K773-T777 PolarHBondContact O-OG1 2.93Å
774	V	69.8	Low	64.9	Low	1 Å²	1	64.8 Å²	64.8	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-68.9	-40.4	179.6	179	0	0	0	0	111.2	T777 A778 L804 F808 M813	V774-T777 PolarHBondContact O-N 2.84Å; V774-A778 VanDerWaalsContact O-CB 3.31Å; V774-A778 WeakPolarHBondContact O-CB 3.39Å; V774-A778 PolarHBondContact O-N 3.4Å; V774-L804 HydrophobicContact CG1-CB 4.33Å; V774-L804 VanDerWaalsContact CG1-O 3.26Å; V774-L804 WeakPolarHBondContact CG1-O 3.34Å; V774-F808 HydrophobicContact CB-CD2 3.73Å; V774-F808 HydrophobicContact CB-CE2 4.18Å; V774-F808 HydrophobicContact CG1-CD2 3.92Å; V774-F808 HydrophobicContact CG2-CD2 3.65Å; V774-F808 HydrophobicContact CG2-CE2 3.56Å; V774-M813 HydrophobicContact CG1-CE 4.3Å
775	E	72.2	Confident	66.8	Low	47 Å²	47	60.7 Å²	60.7	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-59.9	-49	175	179.4	171.4	-175.5	0	0	111.4	T777 A778 L779 N810	E775-T777 PolarHBondContact O-N 2.75Å; E775-A778 PolarHBondContact O-N 3.08Å; E775-L779 HydrophobicContact CG-CD1 3.74Å; E775-L779 HydrophobicContact CG-CG 4.24Å; E775-L779 WeakPolarHBondContact O-CB 3.21Å; E775-L779 VanDerWaalsContact O-CG 3.25Å; E775-L779 WeakPolarHBondContact O-CG 3.41Å; E775-L779 PolarHBondContact O-N 2.96Å; E775-N810 PolarHBondContact OE1-ND2 3.28Å; E775-N810 PolarHBondContact OE2-ND2 3.33Å
776	V	72.9	Confident	68.7	Low	65 Å²	65	61.6 Å²	61.6	39%	0.394	31%	0.312	S	S	.	.	H	α-helix	trans	-62.1	-45.2	178.5	171.8	0	0	0	0	111.1	F762 N772 K773 A778 L779 Y780	F762-V776 HydrophobicContact CD1-CG1 3.73Å; F762-V776 HydrophobicContact CE1-CG1 3.46Å; F762-V776 VanDerWaalsContact CE1-CG1 3.46Å; F762-V776 HydrophobicContact CZ-CG1 4.46Å; N772-V776 WeakPolarHBondContact O-CB 3.46Å; N772-V776 WeakPolarHBondContact O-CG2 3.42Å; N772-V776 PolarHBondContact O-N 3.33Å; K773-V776 PolarHBondContact O-N 3.39Å; V776-A778 PolarHBondContact O-N 3.45Å; V776-L779 PolarHBondContact O-N 3.49Å; V776-Y780 WeakPolarHBondContact O-CB 3.44Å; V776-Y780 PolarHBondContact O-N 2.84Å
777	T	71.7	Confident	70.4	Confident	18 Å²	18	56.5 Å²	56.5	11%	0.11	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-44.9	178.8	-58	0	0	0	0	111.4	K773 V774 E775 Y780 L781	K773-T777 WeakPolarHBondContact O-CB 3.38Å; K773-T777 PolarHBondContact O-N 3.2Å; K773-T777 PolarHBondContact O-OG1 2.93Å; V774-T777 PolarHBondContact O-N 2.84Å; E775-T777 PolarHBondContact O-N 2.75Å; T777-Y780 WeakPolarHBondContact O-CB 3.17Å; T777-Y780 PolarHBondContact O-N 3.47Å; T777-L781 HydrophobicContact CG2-CD1 4.2Å; T777-L781 WeakPolarHBondContact O-CB 3.49Å; T777-L781 VanDerWaalsContact O-CG 3.27Å; T777-L781 WeakPolarHBondContact O-CG 3.41Å; T777-L781 PolarHBondContact O-N 3.39Å
778	A	79	Confident	72.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68.7	-46.3	178.6	0	0	0	0	0	113	V774 E775 V776 Y780 L781 L782 V801 M813	V774-A778 VanDerWaalsContact O-CB 3.31Å; V774-A778 WeakPolarHBondContact O-CB 3.39Å; V774-A778 PolarHBondContact O-N 3.4Å; E775-A778 PolarHBondContact O-N 3.08Å; V776-A778 PolarHBondContact O-N 3.45Å; A778-Y780 PolarHBondContact O-N 2.98Å; A778-L781 PolarHBondContact O-N 3.28Å; A778-L782 WeakPolarHBondContact O-CG 3.39Å; A778-L782 PolarHBondContact O-N 2.99Å; A778-V801 HydrophobicContact CB-CG1 3.98Å; A778-M813 HydrophobicContact CB-CE 2.99Å; A778-M813 HydrophobicContact CB-CG 4.48Å; A778-M813 HydrophobicContact CB-SD 4.49Å
779	L	80.6	Confident	74.1	Confident	58 Å²	58	53.5 Å²	53.5	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-33.4	176.8	-71.3	176.8	0	0	0	111.4	E775 V776 L782 A816	E775-L779 HydrophobicContact CG-CD1 3.74Å; E775-L779 HydrophobicContact CG-CG 4.24Å; E775-L779 WeakPolarHBondContact O-CB 3.21Å; E775-L779 VanDerWaalsContact O-CG 3.25Å; E775-L779 WeakPolarHBondContact O-CG 3.41Å; E775-L779 PolarHBondContact O-N 2.96Å; V776-L779 PolarHBondContact O-N 3.49Å; L779-L782 HydrophobicContact CD2-CD1 4.29Å; L779-A816 HydrophobicContact CD2-CB 3.92Å
780	Y	75.9	Confident	75.5	Confident	50 Å²	50	51.3 Å²	51.3	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-50.9	173	-177.5	-113.9	0	0	0	112	H747 V776 T777 A778 L782 Q783 F784	H747-Y780 PolarHBondContact CE1-OH 2.96Å; H747-Y780 AromaticContact NE2-CE1 3.62Å; H747-Y780 AromaticContact NE2-CZ 3.47Å; H747-Y780 PolarHBondContact NE2-OH 3.2Å; V776-Y780 WeakPolarHBondContact O-CB 3.44Å; V776-Y780 PolarHBondContact O-N 2.84Å; T777-Y780 WeakPolarHBondContact O-CB 3.17Å; T777-Y780 PolarHBondContact O-N 3.47Å; A778-Y780 PolarHBondContact O-N 2.98Å; Y780-L782 PolarHBondContact O-N 3.31Å; Y780-Q783 VanDerWaalsContact O-CB 3.29Å; Y780-Q783 WeakPolarHBondContact O-CB 3.18Å; Y780-Q783 WeakPolarHBondContact O-CG 3.36Å; Y780-Q783 PolarHBondContact O-N 2.91Å; Y780-F784 AromaticContact CD1-CE2 3.95Å; Y780-F784 HydrophobicContact CD1-CE2 3.95Å; Y780-F784 AromaticContact CD1-CZ 3.99Å; Y780-F784 HydrophobicContact CD1-CZ 3.99Å; Y780-F784 AromaticContact CE1-CE2 3.82Å; Y780-F784 HydrophobicContact CE1-CE2 3.82Å; Y780-F784 AromaticContact CE1-CZ 3.52Å; Y780-F784 HydrophobicContact CE1-CZ 3.52Å; Y780-F784 HydrophobicContact CE2-CZ 4.13Å; Y780-F784 AromaticContact CZ-CZ 3.62Å
781	L	79.8	Confident	77.1	Confident	9 Å²	9	47 Å²	47	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-33.5	176.8	-73.7	172.3	0	0	0	112.5	L744 T777 A778 Q783 F784 L797 V801 L804	L744-L781 HydrophobicContact CD1-CD2 4.05Å; T777-L781 HydrophobicContact CG2-CD1 4.2Å; T777-L781 WeakPolarHBondContact O-CB 3.49Å; T777-L781 VanDerWaalsContact O-CG 3.27Å; T777-L781 WeakPolarHBondContact O-CG 3.41Å; T777-L781 PolarHBondContact O-N 3.39Å; A778-L781 PolarHBondContact O-N 3.28Å; L781-Q783 PolarHBondContact O-N 3.48Å; L781-F784 HydrophobicContact CD2-CD2 4.09Å; L781-F784 HydrophobicContact CD2-CE2 4.06Å; L781-F784 WeakPolarHBondContact O-CB 3.31Å; L781-F784 WeakPolarHBondContact O-CD2 3.39Å; L781-F784 PolarHBondContact O-N 3.31Å; L781-F784 VanDerWaalsContact O-N 3.12Å; L781-L797 HydrophobicContact CB-CD1 4.32Å; L781-L797 HydrophobicContact CD2-CD1 4.35Å; L781-V801 HydrophobicContact CB-CG2 3.64Å; L781-V801 HydrophobicContact CD1-CG2 4.12Å; L781-L804 HydrophobicContact CD1-CD1 3.72Å
782	L	84.3	Confident	78.6	Confident	11 Å²	11	41.5 Å²	41.5	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-28.1	175.6	-74.9	177.2	0	0	0	113.3	A778 L779 Y780 F784 T785 L798 V801 A816 I817	A778-L782 WeakPolarHBondContact O-CG 3.39Å; A778-L782 PolarHBondContact O-N 2.99Å; L779-L782 HydrophobicContact CD2-CD1 4.29Å; Y780-L782 PolarHBondContact O-N 3.31Å; L782-F784 PolarHBondContact O-N 3.46Å; L782-F784 VanDerWaalsContact O-N 3.15Å; L782-T785 HydrophobicContact CD2-CG2 4.18Å; L782-T785 WeakPolarHBondContact O-CB 3.46Å; L782-T785 WeakPolarHBondContact O-CG2 3.29Å; L782-T785 PolarHBondContact O-N 3.45Å; L782-T785 VanDerWaalsContact O-N 3.12Å; L782-T785 PolarHBondContact O-OG1 3.38Å; L782-L798 HydrophobicContact CD2-CD2 3.69Å; L782-V801 HydrophobicContact CD2-CB 4.49Å; L782-V801 HydrophobicContact CD2-CG1 3.89Å; L782-V801 HydrophobicContact CG-CG1 3.99Å; L782-A816 HydrophobicContact CD1-CB 3.92Å; L782-I817 HydrophobicContact CD1-CG1 3.86Å; L782-I817 HydrophobicContact CD2-CG1 4.18Å; L782-I817 HydrophobicContact CG-CG1 4.47Å
783	Q	80.6	Confident	79.7	Confident	131 Å²	131	37.4 Å²	37.4	61%	0.612	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-63.3	-21.2	177.8	-58.8	179.7	8.7	0	0	112.2	Y780 L781	Y780-Q783 VanDerWaalsContact O-CB 3.29Å; Y780-Q783 WeakPolarHBondContact O-CB 3.18Å; Y780-Q783 WeakPolarHBondContact O-CG 3.36Å; Y780-Q783 PolarHBondContact O-N 2.91Å; L781-Q783 PolarHBondContact O-N 3.48Å
784	F	79.3	Confident	80.9	Confident	13 Å²	13	37 Å²	37	6%	0.057	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-87.3	-10.9	179.8	-47.9	-47.5	0	0	0	113.8	G743 H747 Y780 L781 L782 D786 L787 C788 L797	G743-F784 VanDerWaalsContact O-CB 3.23Å; G743-F784 WeakPolarHBondContact O-CB 3.39Å; H747-F784 AromaticContact CD2-CE1 3.72Å; H747-F784 AromaticContact CD2-CE2 3.93Å; H747-F784 AromaticContact CD2-CZ 3.27Å; H747-F784 WeakPolarHBondContact CD2-CZ 3.04Å; H747-F784 AromaticContact NE2-CZ 3.46Å; H747-F784 WeakPolarHBondContact NE2-CZ 3.49Å; Y780-F784 AromaticContact CD1-CE2 3.95Å; Y780-F784 HydrophobicContact CD1-CE2 3.95Å; Y780-F784 AromaticContact CD1-CZ 3.99Å; Y780-F784 HydrophobicContact CD1-CZ 3.99Å; Y780-F784 AromaticContact CE1-CE2 3.82Å; Y780-F784 HydrophobicContact CE1-CE2 3.82Å; Y780-F784 AromaticContact CE1-CZ 3.52Å; Y780-F784 HydrophobicContact CE1-CZ 3.52Å; Y780-F784 HydrophobicContact CE2-CZ 4.13Å; Y780-F784 AromaticContact CZ-CZ 3.62Å; L781-F784 HydrophobicContact CD2-CD2 4.09Å; L781-F784 HydrophobicContact CD2-CE2 4.06Å; L781-F784 WeakPolarHBondContact O-CB 3.31Å; L781-F784 WeakPolarHBondContact O-CD2 3.39Å; L781-F784 PolarHBondContact O-N 3.31Å; L781-F784 VanDerWaalsContact O-N 3.12Å; L782-F784 PolarHBondContact O-N 3.46Å; L782-F784 VanDerWaalsContact O-N 3.15Å; F784-D786 PolarHBondContact O-N 3.46Å; F784-D786 VanDerWaalsContact O-N 3.13Å; F784-L787 HydrophobicContact CD1-CD1 4Å; F784-L787 PolarHBondContact O-N 2.87Å; F784-C788 PolarHBondContact O-N 2.98Å; F784-C788 PolarHBondContact O-SG 2.92Å; F784-L797 HydrophobicContact CB-CD2 3.97Å
785	T	83.9	Confident	81.9	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.025	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.6	176.2	56.5	0	0	0	0	112	L782 L797 L798	L782-T785 HydrophobicContact CD2-CG2 4.18Å; L782-T785 WeakPolarHBondContact O-CB 3.46Å; L782-T785 WeakPolarHBondContact O-CG2 3.29Å; L782-T785 PolarHBondContact O-N 3.45Å; L782-T785 VanDerWaalsContact O-N 3.12Å; L782-T785 PolarHBondContact O-OG1 3.38Å; T785-L797 HydrophobicContact CG2-CD2 3.84Å; T785-L797 HydrophobicContact CG2-CG 4.43Å; T785-L798 HydrophobicContact CG2-CD1 4.43Å; T785-L798 HydrophobicContact CG2-CD2 3.72Å; T785-L798 HydrophobicContact CG2-CG 3.91Å
786	D	80.1	Confident	82.6	Confident	96 Å²	96	36.3 Å²	36.3	51%	0.513	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-78.7	-20.5	178.4	-74.8	-16.2	0	0	0	114	F784 R827	F784-D786 PolarHBondContact O-N 3.46Å; F784-D786 VanDerWaalsContact O-N 3.13Å; D786-R827 PolarHBondContact O-NH1 3.41Å; D786-R827 IonicContact OD1-CZ 3.36Å; D786-R827 IonicContact OD1-NE 3.77Å; D786-R827 IonicContact OD1-NH1 3.74Å; D786-R827 IonicContact OD1-NH2 3.01Å; D786-R827 PolarHBondContact OD1-NH2 3.5Å; D786-R827 IonicContact OD2-NH2 3.77Å
787	L	82.2	Confident	83.3	Confident	85 Å²	85	33.7 Å²	33.7	45%	0.445	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.5	-178.3	-62.8	174.5	0	0	0	113.4	F784 R789	F784-L787 HydrophobicContact CD1-CD1 4Å; F784-L787 PolarHBondContact O-N 2.87Å; L787-R789 PolarHBondContact O-N 2.96Å
788	C	84.7	Confident	84.3	Confident	7 Å²	7	32.8 Å²	32.8	5%	0.047	15%	0.154	C	C	.	.			trans	-57.9	132	178	-61.1	0	0	0	0	110.4	G743 F784 A794 W829	G743-C788 WeakPolarHBondContact CA-SG 3.43Å; F784-C788 PolarHBondContact O-N 2.98Å; F784-C788 PolarHBondContact O-SG 2.92Å; C788-A794 HydrophobicContact CB-CB 3.82Å; C788-W829 HydrophobicContact CB-CH2 4.31Å; C788-W829 WeakPolarHBondContact O-CH2 3.48Å; C788-W829 VanDerWaalsContact O-CZ3 3.32Å; C788-W829 WeakPolarHBondContact O-CZ3 3.28Å
789	R	83.2	Confident	84.8	Confident	154 Å²	154	32.9 Å²	32.9	58%	0.581	16%	0.155	S	C	*	.	S	Bend	trans	-93.2	-26.5	178.7	-49.3	177.3	-175	174.8	3.3	111.3	D742 D746 L787	D742-R789 WeakPolarHBondContact OD2-CA 3.26Å; D742-R789 WeakPolarHBondContact OD2-CB 3.31Å; D742-R789 PolarHBondContact OD2-N 3.33Å; D746-R789 IonicContact OD1-NH2 2.75Å; D746-R789 IonicContact OD2-CZ 3.85Å; D746-R789 IonicContact OD2-NE 3.73Å; D746-R789 PolarHBondContact OD2-NE 2.93Å; D746-R789 VanDerWaalsContact OD2-NE 3.17Å; D746-R789 IonicContact OD2-NH2 3.18Å; D746-R789 PolarHBondContact OD2-NH2 2.8Å; L787-R789 PolarHBondContact O-N 2.96Å
790	T	84.2	Confident	85	Confident	15 Å²	15	30.7 Å²	30.7	9%	0.092	14%	0.143	C	C	.	.	S	Bend	trans	-107.4	149.1	178.8	71.6	0	0	0	0	111.5	D739 D742 A793 A794 E832	D739-T790 HydrophobicContact CB-CG2 4.17Å; D739-T790 WeakPolarHBondContact O-CG2 3.34Å; D739-T790 PolarHBondContact O-OG1 3.41Å; D742-T790 PolarHBondContact OD2-N 2.8Å; T790-A793 WeakPolarHBondContact OG1-CB 3.26Å; T790-A793 PolarHBondContact OG1-N 3.06Å; T790-A794 PolarHBondContact O-N 2.93Å; T790-E832 VanDerWaalsContact CB-OE1 3.26Å; T790-E832 WeakPolarHBondContact CB-OE1 3.43Å; T790-E832 HydrophobicContact CG2-CG 4.38Å
791	F	89.8	Confident	85.5	Confident	1 Å²	1	28.3 Å²	28.3	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-73	-34.5	177.1	-179.1	-114.5	0	0	0	111	S795 V824 L825 W829 E832 F838 H841 V842 L845 T886	F791-S795 WeakPolarHBondContact O-CB 3.38Å; F791-S795 PolarHBondContact O-N 3.27Å; F791-V824 HydrophobicContact CD2-CG1 4.02Å; F791-V824 HydrophobicContact CE2-CG1 3.87Å; F791-L825 HydrophobicContact CZ-CD2 4.47Å; F791-W829 HydrophobicContact CB-CB 3.91Å; F791-W829 HydrophobicContact CB-CD2 3.95Å; F791-W829 HydrophobicContact CB-CE3 4.17Å; F791-W829 HydrophobicContact CB-CG 3.83Å; F791-W829 HydrophobicContact CD2-CB 4.47Å; F791-W829 AromaticContact CD2-CD1 3.58Å; F791-W829 HydrophobicContact CD2-CD2 4.06Å; F791-W829 AromaticContact CD2-CG 3.78Å; F791-W829 HydrophobicContact CD2-CG 3.78Å; F791-W829 AromaticContact CD2-NE1 3.71Å; F791-W829 HydrophobicContact CG-CB 4.41Å; F791-W829 HydrophobicContact CG-CD2 4.49Å; F791-W829 HydrophobicContact CG-CG 4.14Å; F791-E832 PolarHBondContact N-OE1 3.26Å; F791-F838 HydrophobicContact CB-CD2 4.33Å; F791-F838 HydrophobicContact CB-CE2 3.88Å; F791-F838 AromaticContact CD1-CD2 3.61Å; F791-F838 HydrophobicContact CD1-CD2 3.61Å; F791-F838 HydrophobicContact CD1-CE1 4.43Å; F791-F838 AromaticContact CD1-CE2 3.49Å; F791-F838 HydrophobicContact CD1-CE2 3.49Å; F791-F838 VanDerWaalsContact CD1-CE2 3.49Å; F791-F838 HydrophobicContact CD1-CG 4.15Å; F791-F838 AromaticContact CD1-CZ 3.94Å; F791-F838 HydrophobicContact CD1-CZ 3.94Å; F791-F838 HydrophobicContact CE1-CD1 4.41Å; F791-F838 HydrophobicContact CE1-CD2 4.27Å; F791-F838 HydrophobicContact CE1-CE1 4.28Å; F791-F838 HydrophobicContact CE1-CE2 4.14Å; F791-F838 HydrophobicContact CE1-CG 4.4Å; F791-F838 HydrophobicContact CE1-CZ 4.14Å; F791-F838 HydrophobicContact CG-CD2 4.22Å; F791-F838 AromaticContact CG-CE2 3.72Å; F791-F838 HydrophobicContact CG-CE2 3.72Å; F791-F838 HydrophobicContact CG-CZ 4.2Å; F791-H841 HydrophobicContact CD1-CB 3.8Å; F791-H841 HydrophobicContact CE1-CB 3.4Å; F791-H841 HydrophobicContact CZ-CB 4.25Å; F791-V842 HydrophobicContact CE1-CG2 3.73Å; F791-V842 HydrophobicContact CZ-CB 4.48Å; F791-V842 HydrophobicContact CZ-CG2 3.67Å; F791-L845 HydrophobicContact CE2-CD1 3.54Å; F791-L845 HydrophobicContact CZ-CD1 3.69Å; F791-T886 HydrophobicContact CD2-CG2 4.47Å; F791-T886 HydrophobicContact CE2-CG2 3.92Å; F791-T886 HydrophobicContact CZ-CG2 4.33Å
792	S	87.3	Confident	85.9	Confident	9 Å²	9	27.9 Å²	27.9	6%	0.063	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-43.1	175.4	61	0	0	0	0	111.8	S795 R796 E832	S792-S795 WeakPolarHBondContact O-CB 3.35Å; S792-S795 PolarHBondContact O-N 3.08Å; S792-R796 WeakPolarHBondContact O-CB 3.42Å; S792-R796 VanDerWaalsContact O-CG 3.28Å; S792-R796 WeakPolarHBondContact O-CG 3.42Å; S792-R796 PolarHBondContact O-N 3.28Å; S792-E832 WeakPolarHBondContact CB-OE2 3.44Å; S792-E832 PolarHBondContact N-OE1 3.37Å; S792-E832 PolarHBondContact OG-OE2 3.02Å
793	A	86.9	Confident	85.9	Confident	2 Å²	2	27.3 Å²	27.3	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-67.3	-44.2	177	0	0	0	0	0	112.9	S740 D742 T790 S795 R796 L797	S740-A793 VanDerWaalsContact O-CA 3.23Å; S740-A793 WeakPolarHBondContact O-CA 3.28Å; S740-A793 WeakPolarHBondContact O-CB 3.39Å; D742-A793 WeakPolarHBondContact OD1-CB 3.43Å; T790-A793 WeakPolarHBondContact OG1-CB 3.26Å; T790-A793 PolarHBondContact OG1-N 3.06Å; A793-S795 PolarHBondContact O-N 3.34Å; A793-R796 PolarHBondContact O-N 2.89Å; A793-R796 VanDerWaalsContact O-N 3.15Å; A793-L797 WeakPolarHBondContact O-CB 3.48Å; A793-L797 PolarHBondContact O-N 3.3Å
794	A	90.1	Very high	85.9	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-56.5	-41.5	173.6	0	0	0	0	0	111.2	C788 T790 L798 V824 W829	C788-A794 HydrophobicContact CB-CB 3.82Å; T790-A794 PolarHBondContact O-N 2.93Å; A794-L798 WeakPolarHBondContact O-CB 3.48Å; A794-L798 WeakPolarHBondContact O-CD1 3.33Å; A794-L798 VanDerWaalsContact O-CG 3.3Å; A794-L798 WeakPolarHBondContact O-CG 3.2Å; A794-L798 PolarHBondContact O-N 3.24Å; A794-L798 VanDerWaalsContact O-N 3.08Å; A794-V824 HydrophobicContact CB-CG1 3.92Å; A794-V824 HydrophobicContact CB-CG2 4.25Å; A794-W829 HydrophobicContact CB-CH2 4.2Å; A794-W829 HydrophobicContact CB-CZ2 4.33Å
795	S	91	Very high	86	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.6	-43.6	176.1	-178.6	0	0	0	0	113.1	F791 S792 A793 L798 Q799 H841	F791-S795 WeakPolarHBondContact O-CB 3.38Å; F791-S795 PolarHBondContact O-N 3.27Å; S792-S795 WeakPolarHBondContact O-CB 3.35Å; S792-S795 PolarHBondContact O-N 3.08Å; A793-S795 PolarHBondContact O-N 3.34Å; S795-L798 PolarHBondContact O-N 3.01Å; S795-Q799 WeakPolarHBondContact O-CB 3.24Å; S795-Q799 VanDerWaalsContact O-CG 3.24Å; S795-Q799 WeakPolarHBondContact O-CG 3.25Å; S795-Q799 PolarHBondContact O-N 3.26Å; S795-Q799 PolarHBondContact O-NE2 2.9Å; S795-Q799 PolarHBondContact OG-NE2 2.94Å; S795-H841 WeakPolarHBondContact CB-ND1 3.44Å; S795-H841 PolarHBondContact OG-ND1 3.34Å
796	R	87.6	Confident	85.8	Confident	34 Å²	34	21.7 Å²	21.7	13%	0.128	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-42.5	179.2	-74.1	162.4	176.6	-123.5	-13.6	111.9	D669 S740 S792 A793 L798 Q799 L800	D669-R796 VanDerWaalsContact CG-CZ 3.47Å; D669-R796 VanDerWaalsContact CG-NH1 3.3Å; D669-R796 IonicContact OD1-CZ 2.98Å; D669-R796 IonicContact OD1-NE 2.68Å; D669-R796 IonicContact OD1-NH1 3.83Å; D669-R796 PolarHBondContact OD1-NH1 3.35Å; D669-R796 IonicContact OD1-NH2 2.87Å; D669-R796 IonicContact OD2-CZ 3.78Å; D669-R796 IonicContact OD2-NH1 2.66Å; D669-R796 PolarHBondContact OD2-NH1 3.3Å; D669-R796 IonicContact OD2-NH2 2.65Å; D669-R796 PolarHBondContact OD2-NH2 3.16Å; S740-R796 VanDerWaalsContact CB-NH1 3.28Å; S740-R796 WeakPolarHBondContact O-CD 3.17Å; S740-R796 PolarHBondContact OG-NH1 2.95Å; S792-R796 WeakPolarHBondContact O-CB 3.42Å; S792-R796 VanDerWaalsContact O-CG 3.28Å; S792-R796 WeakPolarHBondContact O-CG 3.42Å; S792-R796 PolarHBondContact O-N 3.28Å; A793-R796 PolarHBondContact O-N 2.89Å; A793-R796 VanDerWaalsContact O-N 3.15Å; R796-L798 PolarHBondContact O-N 2.67Å; R796-Q799 WeakPolarHBondContact O-CB 3.49Å; R796-Q799 PolarHBondContact O-N 3.38Å; R796-L800 PolarHBondContact O-N 2.93Å
797	L	88.2	Confident	85.4	Confident	10 Å²	10	17.7 Å²	17.7	5%	0.052	8%	0.082	C	C	.	.	H	α-helix	trans	-58.6	-48.3	173.5	179	63.3	0	0	0	110.8	L781 F784 T785 A793 Q799 L800 V801	L781-L797 HydrophobicContact CB-CD1 4.32Å; L781-L797 HydrophobicContact CD2-CD1 4.35Å; F784-L797 HydrophobicContact CB-CD2 3.97Å; T785-L797 HydrophobicContact CG2-CD2 3.84Å; T785-L797 HydrophobicContact CG2-CG 4.43Å; A793-L797 WeakPolarHBondContact O-CB 3.48Å; A793-L797 PolarHBondContact O-N 3.3Å; L797-Q799 VanDerWaalsContact C-N 3.32Å; L797-Q799 PolarHBondContact O-N 3.19Å; L797-L800 WeakPolarHBondContact O-CB 3.32Å; L797-L800 PolarHBondContact O-N 3.24Å; L797-V801 HydrophobicContact CD1-CG2 4.35Å; L797-V801 VanDerWaalsContact O-CG2 3.29Å; L797-V801 WeakPolarHBondContact O-CG2 3.36Å; L797-V801 PolarHBondContact O-N 2.81Å
798	L	91.3	Very high	84.9	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66	-33.3	178.1	-74.9	167.2	0	0	0	112.8	L782 T785 A794 S795 R796 R802 I817 C821 V824 L845 I848	L782-L798 HydrophobicContact CD2-CD2 3.69Å; T785-L798 HydrophobicContact CG2-CD1 4.43Å; T785-L798 HydrophobicContact CG2-CD2 3.72Å; T785-L798 HydrophobicContact CG2-CG 3.91Å; A794-L798 WeakPolarHBondContact O-CB 3.48Å; A794-L798 WeakPolarHBondContact O-CD1 3.33Å; A794-L798 VanDerWaalsContact O-CG 3.3Å; A794-L798 WeakPolarHBondContact O-CG 3.2Å; A794-L798 PolarHBondContact O-N 3.24Å; A794-L798 VanDerWaalsContact O-N 3.08Å; S795-L798 PolarHBondContact O-N 3.01Å; R796-L798 PolarHBondContact O-N 2.67Å; L798-R802 WeakPolarHBondContact O-CB 3.28Å; L798-R802 PolarHBondContact O-N 2.89Å; L798-I817 HydrophobicContact CD2-CG2 4.48Å; L798-C821 HydrophobicContact CD1-CB 4.36Å; L798-V824 HydrophobicContact CD1-CB 4.35Å; L798-V824 HydrophobicContact CD1-CG2 3.91Å; L798-L845 HydrophobicContact CB-CD2 3.95Å; L798-L845 HydrophobicContact CD1-CD2 3.58Å; L798-L845 HydrophobicContact CG-CD2 4.42Å; L798-I848 HydrophobicContact CB-CD1 4.37Å
799	Q	89.6	Confident	84.2	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-64.8	-43.8	171.5	-76.5	179.5	79.7	0	0	111.7	M672 V676 S795 R796 L797 R802 M803 I848	M672-Q799 HydrophobicContact CE-CB 4.04Å; V676-Q799 HydrophobicContact CB-CG 4.5Å; V676-Q799 HydrophobicContact CG1-CG 4.01Å; V676-Q799 HydrophobicContact CG2-CB 3.96Å; V676-Q799 HydrophobicContact CG2-CG 3.94Å; S795-Q799 WeakPolarHBondContact O-CB 3.24Å; S795-Q799 VanDerWaalsContact O-CG 3.24Å; S795-Q799 WeakPolarHBondContact O-CG 3.25Å; S795-Q799 PolarHBondContact O-N 3.26Å; S795-Q799 PolarHBondContact O-NE2 2.9Å; S795-Q799 PolarHBondContact OG-NE2 2.94Å; R796-Q799 WeakPolarHBondContact O-CB 3.49Å; R796-Q799 PolarHBondContact O-N 3.38Å; L797-Q799 VanDerWaalsContact C-N 3.32Å; L797-Q799 PolarHBondContact O-N 3.19Å; Q799-R802 PolarHBondContact O-N 3.43Å; Q799-M803 WeakPolarHBondContact O-CG 3.28Å; Q799-M803 PolarHBondContact O-N 3.31Å; Q799-I848 HydrophobicContact CG-CD1 4.02Å
800	L	85.4	Confident	84.1	Confident	11 Å²	11	15.3 Å²	15.3	6%	0.058	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-49.4	176.3	-171.1	71.1	0	0	0	111.4	M672 L709 V713 R796 L797 R802 M803 L804	M672-L800 HydrophobicContact CE-CB 3.76Å; M672-L800 HydrophobicContact CE-CD1 3.95Å; M672-L800 HydrophobicContact CE-CG 4.5Å; M672-L800 HydrophobicContact SD-CD1 4.13Å; L709-L800 HydrophobicContact CD2-CD1 4.08Å; V713-L800 HydrophobicContact CG1-CD2 4.41Å; V713-L800 HydrophobicContact CG2-CD1 3.9Å; V713-L800 HydrophobicContact CG2-CD2 4Å; V713-L800 HydrophobicContact CG2-CG 4.32Å; R796-L800 PolarHBondContact O-N 2.93Å; L797-L800 WeakPolarHBondContact O-CB 3.32Å; L797-L800 PolarHBondContact O-N 3.24Å; L800-R802 VanDerWaalsContact C-N 3.29Å; L800-R802 PolarHBondContact O-N 3.37Å; L800-M803 HydrophobicContact CD1-CE 3.94Å; L800-M803 PolarHBondContact O-N 3.05Å; L800-M803 VanDerWaalsContact O-N 3.17Å; L800-L804 PolarHBondContact O-N 2.95Å
801	V	87.2	Confident	84.1	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-38.5	178.4	175	0	0	0	0	111.2	A778 L781 L782 L797 L804 A805 I817	A778-V801 HydrophobicContact CB-CG1 3.98Å; L781-V801 HydrophobicContact CB-CG2 3.64Å; L781-V801 HydrophobicContact CD1-CG2 4.12Å; L782-V801 HydrophobicContact CD2-CB 4.49Å; L782-V801 HydrophobicContact CD2-CG1 3.89Å; L782-V801 HydrophobicContact CG-CG1 3.99Å; L797-V801 HydrophobicContact CD1-CG2 4.35Å; L797-V801 VanDerWaalsContact O-CG2 3.29Å; L797-V801 WeakPolarHBondContact O-CG2 3.36Å; L797-V801 PolarHBondContact O-N 2.81Å; V801-L804 WeakPolarHBondContact O-CB 2.98Å; V801-L804 PolarHBondContact O-N 3.12Å; V801-A805 WeakPolarHBondContact O-CB 2.9Å; V801-A805 PolarHBondContact O-N 2.95Å; V801-I817 HydrophobicContact CG1-CD1 3.8Å; V801-I817 HydrophobicContact CG1-CG1 3.78Å
802	R	86.9	Confident	83.7	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-40.7	175.1	178.1	-118.8	171.5	138.7	-16.1	111.9	V676 L798 Q799 L800 L804 A805 E806 I848 W851	V676-R802 VanDerWaalsContact CA-NH1 3.3Å; V676-R802 VanDerWaalsContact O-CZ 3.31Å; V676-R802 PolarHBondContact O-NH1 3.35Å; V676-R802 PolarHBondContact O-NH2 3.13Å; V676-R802 VanDerWaalsContact O-NH2 3.1Å; L798-R802 WeakPolarHBondContact O-CB 3.28Å; L798-R802 PolarHBondContact O-N 2.89Å; Q799-R802 PolarHBondContact O-N 3.43Å; L800-R802 VanDerWaalsContact C-N 3.29Å; L800-R802 PolarHBondContact O-N 3.37Å; R802-L804 VanDerWaalsContact C-N 3.35Å; R802-A805 CarbonylContact O-C 3.55Å; R802-A805 PolarHBondContact O-N 2.97Å; R802-E806 IonicContact CZ-OE1 2.75Å; R802-E806 VanDerWaalsContact CZ-OE1 3.25Å; R802-E806 IonicContact NE-OE1 3.68Å; R802-E806 PolarHBondContact NE-OE1 3.19Å; R802-E806 IonicContact NH2-OE1 2.66Å; R802-E806 PolarHBondContact NH2-OE1 3.37Å; R802-E806 WeakPolarHBondContact O-CG 3.17Å; R802-E806 PolarHBondContact O-N 3.15Å; R802-I848 HydrophobicContact CB-CD1 4.31Å; R802-I848 HydrophobicContact CB-CG1 4.39Å; R802-I848 HydrophobicContact CB-CG2 4.35Å; R802-I848 HydrophobicContact CG-CG1 4.16Å; R802-I848 HydrophobicContact CG-CG2 4.26Å; R802-W851 HydrophobicContact CG-CE3 4.23Å; R802-W851 HydrophobicContact CG-CZ3 4.26Å
803	M	84.7	Confident	83.6	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-37.9	173.5	-68.4	-166.8	-47.6	0	0	112.4	M672 R675 V676 F697 L709 Q799 L800 A805 E806	M672-M803 HydrophobicContact CB-CE 4.27Å; M672-M803 HydrophobicContact CB-SD 4.2Å; M672-M803 HydrophobicContact CE-CE 3.89Å; M672-M803 HydrophobicContact CG-CE 3.44Å; M672-M803 VanDerWaalsContact CG-CE 3.44Å; M672-M803 HydrophobicContact CG-SD 3.9Å; M672-M803 HydrophobicContact SD-CE 3.89Å; R675-M803 HydrophobicContact CB-SD 4.35Å; R675-M803 HydrophobicContact CG-CG 4.5Å; R675-M803 HydrophobicContact CG-SD 4.33Å; V676-M803 HydrophobicContact CG2-CG 4.26Å; F697-M803 HydrophobicContact CE1-SD 4.34Å; L709-M803 HydrophobicContact CD1-CB 3.89Å; L709-M803 HydrophobicContact CD1-CE 4.36Å; L709-M803 HydrophobicContact CD2-CE 3.57Å; Q799-M803 WeakPolarHBondContact O-CG 3.28Å; Q799-M803 PolarHBondContact O-N 3.31Å; L800-M803 HydrophobicContact CD1-CE 3.94Å; L800-M803 PolarHBondContact O-N 3.05Å; L800-M803 VanDerWaalsContact O-N 3.17Å; M803-A805 VanDerWaalsContact C-N 3.29Å; M803-A805 PolarHBondContact O-N 3.26Å; M803-E806 PolarHBondContact O-N 3.47Å
804	L	79.7	Confident	83.6	Confident	8 Å²	8	26.7 Å²	26.7	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-34.9	171.4	-71.1	170.3	0	0	0	111.8	L709 V774 L781 L800 V801 R802 S807	L709-L804 HydrophobicContact CB-CD2 3.8Å; L709-L804 HydrophobicContact CD1-CD2 3.76Å; L709-L804 HydrophobicContact CD1-CG 4.12Å; L709-L804 HydrophobicContact CG-CD2 4.39Å; V774-L804 HydrophobicContact CG1-CB 4.33Å; V774-L804 VanDerWaalsContact CG1-O 3.26Å; V774-L804 WeakPolarHBondContact CG1-O 3.34Å; L781-L804 HydrophobicContact CD1-CD1 3.72Å; L800-L804 PolarHBondContact O-N 2.95Å; V801-L804 WeakPolarHBondContact O-CB 2.98Å; V801-L804 PolarHBondContact O-N 3.12Å; R802-L804 VanDerWaalsContact C-N 3.35Å; L804-S807 PolarHBondContact O-OG 2.87Å
805	A	82.5	Confident	83.5	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-77.1	-19.7	176.7	0	0	0	0	0	114.1	V801 R802 M803 S807 F808 M813 I817 W851	V801-A805 WeakPolarHBondContact O-CB 2.9Å; V801-A805 PolarHBondContact O-N 2.95Å; R802-A805 CarbonylContact O-C 3.55Å; R802-A805 PolarHBondContact O-N 2.97Å; M803-A805 VanDerWaalsContact C-N 3.29Å; M803-A805 PolarHBondContact O-N 3.26Å; A805-S807 VanDerWaalsContact C-N 3.32Å; A805-F808 CarbonylContact O-C 3.59Å; A805-F808 VanDerWaalsContact O-C 3.31Å; A805-F808 VanDerWaalsContact O-O 3.09Å; A805-M813 VanDerWaalsContact CA-CE 3.41Å; A805-M813 HydrophobicContact CB-CE 3.43Å; A805-M813 VanDerWaalsContact CB-CE 3.43Å; A805-M813 HydrophobicContact CB-CG 4.21Å; A805-M813 HydrophobicContact CB-SD 3.44Å; A805-M813 WeakPolarHBondContact CB-SD 3.42Å; A805-I817 HydrophobicContact CB-CD1 3.45Å; A805-I817 VanDerWaalsContact CB-CD1 3.45Å; A805-W851 HydrophobicContact CB-CH2 3.75Å; A805-W851 HydrophobicContact CB-CZ3 4.45Å
806	E	78.5	Confident	83.4	Confident	20 Å²	20	33.4 Å²	33.4	9%	0.093	18%	0.175	C	C	.	.	H	α-helix	trans	-71.4	-27.5	174.3	-81	-179.7	-173	0	0	112.2	R675 A679 N702 R802 M803 W851	R675-E806 IonicContact CZ-OE2 3.99Å; R675-E806 IonicContact NE-OE2 3.93Å; R675-E806 PolarHBondContact NE-OE2 2.93Å; R675-E806 IonicContact NH2-OE2 2.73Å; A679-E806 VanDerWaalsContact CB-OE1 3.26Å; A679-E806 WeakPolarHBondContact CB-OE1 3.46Å; N702-E806 PolarHBondContact ND2-O 2.79Å; N702-E806 VanDerWaalsContact ND2-O 3.09Å; R802-E806 IonicContact CZ-OE1 2.75Å; R802-E806 VanDerWaalsContact CZ-OE1 3.25Å; R802-E806 IonicContact NE-OE1 3.68Å; R802-E806 PolarHBondContact NE-OE1 3.19Å; R802-E806 IonicContact NH2-OE1 2.66Å; R802-E806 PolarHBondContact NH2-OE1 3.37Å; R802-E806 WeakPolarHBondContact O-CG 3.17Å; R802-E806 PolarHBondContact O-N 3.15Å; M803-E806 PolarHBondContact O-N 3.47Å; E806-W851 HydrophobicContact CG-CZ2 4.08Å
807	S	72.7	Confident	83.5	Confident	12 Å²	12	31.8 Å²	31.8	8%	0.084	17%	0.169	C	C	.	.	H	α-helix	trans	-70.6	-33.3	175.8	58.4	0	0	0	0	112.3	L804 A805	L804-S807 PolarHBondContact O-OG 2.87Å; A805-S807 VanDerWaalsContact C-N 3.32Å
808	F	72.5	Confident	83.6	Confident	54 Å²	54	31.5 Å²	31.5	24%	0.237	17%	0.168	C	C	.	.	S	Bend	trans	-132.9	97.6	177.4	-63.6	-83.4	0	0	0	112.1	Q706 E771 V774 A805 N810	Q706-F808 VanDerWaalsContact CD-CE2 3.4Å; Q706-F808 HydrophobicContact CG-CE2 4.3Å; E771-F808 HydrophobicContact CG-CD1 4.34Å; E771-F808 HydrophobicContact CG-CE1 4.38Å; V774-F808 HydrophobicContact CB-CD2 3.73Å; V774-F808 HydrophobicContact CB-CE2 4.18Å; V774-F808 HydrophobicContact CG1-CD2 3.92Å; V774-F808 HydrophobicContact CG2-CD2 3.65Å; V774-F808 HydrophobicContact CG2-CE2 3.56Å; A805-F808 CarbonylContact O-C 3.59Å; A805-F808 VanDerWaalsContact O-C 3.31Å; A805-F808 VanDerWaalsContact O-O 3.09Å; F808-N810 PolarHBondContact O-N 2.67Å
809	P	69.5	Low	83.6	Confident	98 Å²	98	33.6 Å²	33.6	64%	0.636	19%	0.189	S	C	*	.			trans	-73.1	92.7	-176	28.8	-34.1	0	0	0	111.9
810	N	81.4	Confident	83.7	Confident	45 Å²	45	34.9 Å²	34.9	24%	0.241	20%	0.199	C	C	.	.			trans	-101.8	131.9	169.8	-177.1	-19.9	0	0	0	111.1	E775 F808 V812 M813 K814	E775-N810 PolarHBondContact OE1-ND2 3.28Å; E775-N810 PolarHBondContact OE2-ND2 3.33Å; F808-N810 PolarHBondContact O-N 2.67Å; N810-V812 PolarHBondContact OD1-N 3.26Å; N810-M813 HydrophobicContact CB-CB 3.92Å; N810-M813 PolarHBondContact O-N 3.27Å; N810-K814 VanDerWaalsContact O-CG 3.31Å; N810-K814 WeakPolarHBondContact O-CG 3.47Å; N810-K814 PolarHBondContact O-N 2.92Å
811	K	83.1	Confident	84.1	Confident	118 Å²	118	34.4 Å²	34.4	51%	0.513	20%	0.196	S	C	.	.	H	α-helix	trans	-61.1	-43.1	177.9	-178.9	172.8	171.2	169.7	0	112.9	M813 K814 E815 E854	K811-M813 VanDerWaalsContact C-N 3.35Å; K811-M813 PolarHBondContact O-N 2.98Å; K811-K814 PolarHBondContact O-N 3.45Å; K811-E815 WeakPolarHBondContact CE-OE1 3.48Å; K811-E815 IonicContact NZ-OE1 2.71Å; K811-E815 WeakPolarHBondContact O-CG 3.17Å; K811-E815 PolarHBondContact O-N 2.83Å; K811-E854 WeakPolarHBondContact CE-OE1 3.28Å; K811-E854 IonicContact NZ-OE1 3.5Å; K811-E854 PolarHBondContact NZ-OE1 3.49Å
812	V	82.9	Confident	84.4	Confident	87 Å²	87	35.9 Å²	35.9	53%	0.527	20%	0.204	S	C	.	.	H	α-helix	trans	-63.5	-44.8	-179.7	179.7	0	0	0	0	110.3	N810 E815 A816	N810-V812 PolarHBondContact OD1-N 3.26Å; V812-E815 PolarHBondContact O-N 2.91Å; V812-A816 WeakPolarHBondContact O-CB 3.43Å; V812-A816 PolarHBondContact O-N 3.42Å
813	M	84.4	Confident	84.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-45.2	176.4	-170.9	-164.1	-163.4	0	0	111.5	V774 A778 A805 N810 K811 E815 A816 I817	V774-M813 HydrophobicContact CG1-CE 4.3Å; A778-M813 HydrophobicContact CB-CE 2.99Å; A778-M813 HydrophobicContact CB-CG 4.48Å; A778-M813 HydrophobicContact CB-SD 4.49Å; A805-M813 VanDerWaalsContact CA-CE 3.41Å; A805-M813 HydrophobicContact CB-CE 3.43Å; A805-M813 VanDerWaalsContact CB-CE 3.43Å; A805-M813 HydrophobicContact CB-CG 4.21Å; A805-M813 HydrophobicContact CB-SD 3.44Å; A805-M813 WeakPolarHBondContact CB-SD 3.42Å; N810-M813 HydrophobicContact CB-CB 3.92Å; N810-M813 PolarHBondContact O-N 3.27Å; K811-M813 VanDerWaalsContact C-N 3.35Å; K811-M813 PolarHBondContact O-N 2.98Å; M813-E815 PolarHBondContact O-N 3.34Å; M813-A816 PolarHBondContact O-N 2.93Å; M813-I817 HydrophobicContact CG-CD1 4.02Å; M813-I817 WeakPolarHBondContact O-CG1 3.44Å; M813-I817 PolarHBondContact O-N 3.42Å
814	K	87.2	Confident	85	Confident	59 Å²	59	37.2 Å²	37.2	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-56.9	-48.4	175.1	-76.9	-177.8	178.6	-170.3	0	111.8	N810 K811 I817 G818 W851 S852	N810-K814 VanDerWaalsContact O-CG 3.31Å; N810-K814 WeakPolarHBondContact O-CG 3.47Å; N810-K814 PolarHBondContact O-N 2.92Å; K811-K814 PolarHBondContact O-N 3.45Å; K814-I817 PolarHBondContact O-N 2.91Å; K814-G818 PolarHBondContact O-N 2.96Å; K814-W851 HydrophobicContact CB-CZ3 4.38Å; K814-W851 HydrophobicContact CD-CH2 4.2Å; K814-W851 HydrophobicContact CD-CZ2 4.37Å; K814-W851 HydrophobicContact CD-CZ3 4.48Å; K814-W851 HydrophobicContact CG-CE3 4.42Å; K814-W851 HydrophobicContact CG-CH2 3.57Å; K814-W851 HydrophobicContact CG-CZ2 4.22Å; K814-W851 HydrophobicContact CG-CZ3 3.69Å; K814-S852 WeakPolarHBondContact O-CB 3.28Å
815	E	87.3	Confident	85.7	Confident	109 Å²	109	36.9 Å²	36.9	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-63.6	-40.4	178.4	-72.2	176	-174	0	0	112	K811 V812 M813 G818 G819	K811-E815 WeakPolarHBondContact CE-OE1 3.48Å; K811-E815 IonicContact NZ-OE1 2.71Å; K811-E815 WeakPolarHBondContact O-CG 3.17Å; K811-E815 PolarHBondContact O-N 2.83Å; V812-E815 PolarHBondContact O-N 2.91Å; M813-E815 PolarHBondContact O-N 3.34Å; E815-G818 PolarHBondContact O-N 3.26Å; E815-G819 PolarHBondContact O-N 3.29Å
816	A	88.3	Confident	86.2	Confident	33 Å²	33	41.2 Å²	41.2	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-64.7	-43.3	176.5	0	0	0	0	0	112.6	L779 L782 V812 M813 G819 S820	L779-A816 HydrophobicContact CD2-CB 3.92Å; L782-A816 HydrophobicContact CD1-CB 3.92Å; V812-A816 WeakPolarHBondContact O-CB 3.43Å; V812-A816 PolarHBondContact O-N 3.42Å; M813-A816 PolarHBondContact O-N 2.93Å; A816-G819 PolarHBondContact O-N 3.17Å; A816-S820 WeakPolarHBondContact O-CB 3.3Å; A816-S820 PolarHBondContact O-N 3.27Å; A816-S820 PolarHBondContact O-OG 2.99Å
817	I	90.9	Very high	86.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-47.2	175.4	-65.2	166	0	0	0	110	L782 L798 V801 A805 M813 K814 G819 S820 C821 I848 W851	L782-I817 HydrophobicContact CD1-CG1 3.86Å; L782-I817 HydrophobicContact CD2-CG1 4.18Å; L782-I817 HydrophobicContact CG-CG1 4.47Å; L798-I817 HydrophobicContact CD2-CG2 4.48Å; V801-I817 HydrophobicContact CG1-CD1 3.8Å; V801-I817 HydrophobicContact CG1-CG1 3.78Å; A805-I817 HydrophobicContact CB-CD1 3.45Å; A805-I817 VanDerWaalsContact CB-CD1 3.45Å; M813-I817 HydrophobicContact CG-CD1 4.02Å; M813-I817 WeakPolarHBondContact O-CG1 3.44Å; M813-I817 PolarHBondContact O-N 3.42Å; K814-I817 PolarHBondContact O-N 2.91Å; I817-G819 PolarHBondContact O-N 3.45Å; I817-S820 PolarHBondContact O-N 3.36Å; I817-C821 PolarHBondContact O-N 3.32Å; I817-C821 PolarHBondContact O-SG 3.5Å; I817-I848 HydrophobicContact CG2-CG2 3.61Å; I817-W851 HydrophobicContact CD1-CZ3 4.32Å
818	G	90.5	Very high	87.5	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-43.9	177.6	0	0	0	0	0	112.5	K814 E815 C821 L822 S852	K814-G818 PolarHBondContact O-N 2.96Å; E815-G818 PolarHBondContact O-N 3.26Å; G818-C821 PolarHBondContact O-N 2.97Å; G818-L822 WeakPolarHBondContact O-CG 3.24Å; G818-L822 PolarHBondContact O-N 3.46Å; G818-S852 WeakPolarHBondContact CA-OG 3.4Å
819	G	91	Very high	88.3	Confident	44 Å²	44	47.8 Å²	47.8	45%	0.454	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-44.2	174.6	0	0	0	0	0	112.5	E815 A816 I817 L822 G823	E815-G819 PolarHBondContact O-N 3.29Å; A816-G819 PolarHBondContact O-N 3.17Å; I817-G819 PolarHBondContact O-N 3.45Å; G819-L822 PolarHBondContact O-N 2.87Å; G819-G823 PolarHBondContact O-N 2.92Å
820	S	91.9	Very high	89	Confident	30 Å²	30	46.9 Å²	46.9	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-43.2	177.2	-55.5	0	0	0	0	111.6	A816 I817 L822 G823 V824	A816-S820 WeakPolarHBondContact O-CB 3.3Å; A816-S820 PolarHBondContact O-N 3.27Å; A816-S820 PolarHBondContact O-OG 2.99Å; I817-S820 PolarHBondContact O-N 3.36Å; S820-L822 PolarHBondContact O-N 2.9Å; S820-G823 WeakPolarHBondContact O-CA 3.46Å; S820-G823 PolarHBondContact O-N 3.26Å; S820-G823 VanDerWaalsContact O-N 3.12Å; S820-V824 WeakPolarHBondContact O-CG2 3.22Å; S820-V824 PolarHBondContact O-N 3.16Å
821	C	93.8	Very high	88.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-43.9	174.7	-67.1	0	0	0	0	112	L798 I817 G818 G823 V824 L825 I848 C849	L798-C821 HydrophobicContact CD1-CB 4.36Å; I817-C821 PolarHBondContact O-N 3.32Å; I817-C821 PolarHBondContact O-SG 3.5Å; G818-C821 PolarHBondContact O-N 2.97Å; C821-G823 VanDerWaalsContact C-N 3.33Å; C821-V824 PolarHBondContact O-N 2.98Å; C821-L825 WeakPolarHBondContact O-CG 3.32Å; C821-L825 PolarHBondContact O-N 2.86Å; C821-I848 WeakPolarHBondContact SG-CG2 3.32Å; C821-C849 WeakPolarHBondContact CB-SG 3.1Å
822	L	93.3	Very high	88.2	Confident	32 Å²	32	45.6 Å²	45.6	17%	0.168	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-38.4	174.8	-71.3	174.5	0	0	0	111.6	G818 G819 S820 L825 K826 F861 Y884	G818-L822 WeakPolarHBondContact O-CG 3.24Å; G818-L822 PolarHBondContact O-N 3.46Å; G819-L822 PolarHBondContact O-N 2.87Å; S820-L822 PolarHBondContact O-N 2.9Å; L822-L825 PolarHBondContact O-N 3.09Å; L822-K826 WeakPolarHBondContact O-CG 3.47Å; L822-K826 PolarHBondContact O-N 3.27Å; L822-F861 HydrophobicContact CD1-CE2 4.45Å; L822-F861 HydrophobicContact CD2-CE2 4.33Å; L822-Y884 HydrophobicContact CD2-CE1 3.9Å
823	G	91.4	Very high	87.7	Confident	27 Å²	27	45.7 Å²	45.7	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-57.1	-48.1	172.7	0	0	0	0	0	111.9	G819 S820 C821 K826 R827	G819-G823 PolarHBondContact O-N 2.92Å; S820-G823 WeakPolarHBondContact O-CA 3.46Å; S820-G823 PolarHBondContact O-N 3.26Å; S820-G823 VanDerWaalsContact O-N 3.12Å; C821-G823 VanDerWaalsContact C-N 3.33Å; G823-K826 PolarHBondContact O-N 3.45Å; G823-R827 WeakPolarHBondContact O-CG 3.45Å; G823-R827 PolarHBondContact O-N 3.22Å
824	V	93	Very high	87.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-44.2	176.2	172.3	0	0	0	0	111.4	F791 A794 L798 S820 C821 K826 R827 W829 L845	F791-V824 HydrophobicContact CD2-CG1 4.02Å; F791-V824 HydrophobicContact CE2-CG1 3.87Å; A794-V824 HydrophobicContact CB-CG1 3.92Å; A794-V824 HydrophobicContact CB-CG2 4.25Å; L798-V824 HydrophobicContact CD1-CB 4.35Å; L798-V824 HydrophobicContact CD1-CG2 3.91Å; S820-V824 WeakPolarHBondContact O-CG2 3.22Å; S820-V824 PolarHBondContact O-N 3.16Å; C821-V824 PolarHBondContact O-N 2.98Å; V824-K826 VanDerWaalsContact C-N 3.26Å; V824-K826 PolarHBondContact O-N 2.72Å; V824-R827 PolarHBondContact O-N 2.99Å; V824-W829 HydrophobicContact CG1-CZ2 3.92Å; V824-W829 PolarHBondContact O-NE1 3.47Å; V824-L845 HydrophobicContact CB-CD1 4.38Å; V824-L845 HydrophobicContact CG1-CD1 3.68Å
825	L	94.1	Very high	87.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-24.9	179.1	-71.8	170.3	0	0	0	113.9	F791 C821 L822 L845 L846 Y884 Q885 T886 W895	F791-L825 HydrophobicContact CZ-CD2 4.47Å; C821-L825 WeakPolarHBondContact O-CG 3.32Å; C821-L825 PolarHBondContact O-N 2.86Å; L822-L825 PolarHBondContact O-N 3.09Å; L825-L845 HydrophobicContact CD1-CB 4.31Å; L825-L845 HydrophobicContact CD2-CB 4.1Å; L825-L845 HydrophobicContact CD2-CD1 4.09Å; L825-L845 HydrophobicContact CG-CB 4.25Å; L825-L845 HydrophobicContact CG-CD1 4.29Å; L825-L846 HydrophobicContact CD1-CD2 3.84Å; L825-L846 HydrophobicContact CD1-CG 4.48Å; L825-Y884 HydrophobicContact CB-CD1 3.94Å; L825-Y884 HydrophobicContact CB-CE1 4.34Å; L825-Q885 PolarHBondContact O-N 2.91Å; L825-T886 HydrophobicContact CD2-CG2 4.37Å; L825-T886 WeakPolarHBondContact CD2-OG1 3.49Å; L825-T886 WeakPolarHBondContact O-CG2 3.42Å; L825-T886 PolarHBondContact O-N 3.23Å; L825-T886 PolarHBondContact O-OG1 3.47Å; L825-W895 HydrophobicContact CD1-CH2 4.49Å; L825-W895 HydrophobicContact CD2-CZ2 4.29Å
826	K	93	Very high	87.2	Confident	93 Å²	93	50.4 Å²	50.4	40%	0.404	29%	0.285	S	S	.	.	H	α-helix	trans	-80.6	-21.8	178	-71.8	172.2	-179.5	179.7	0	113.5	L822 G823 V824 T883 Y884 Q885	L822-K826 WeakPolarHBondContact O-CG 3.47Å; L822-K826 PolarHBondContact O-N 3.27Å; G823-K826 PolarHBondContact O-N 3.45Å; V824-K826 VanDerWaalsContact C-N 3.26Å; V824-K826 PolarHBondContact O-N 2.72Å; K826-T883 WeakPolarHBondContact CA-O 3.17Å; K826-T883 WeakPolarHBondContact CB-O 3.44Å; K826-T883 HydrophobicContact CG-CG2 4.42Å; K826-T883 WeakPolarHBondContact CG-O 3.5Å; K826-Y884 HydrophobicContact CG-CD1 3.95Å; K826-Y884 HydrophobicContact CG-CE1 4.04Å; K826-Q885 WeakPolarHBondContact O-CB 3.27Å; K826-Q885 VanDerWaalsContact O-CG 3.24Å; K826-Q885 WeakPolarHBondContact O-CG 3.39Å
827	R	90.7	Very high	86.9	Confident	89 Å²	89	50.8 Å²	50.8	34%	0.336	28%	0.284	S	S	.	.	S	Bend	trans	-78.5	152.6	-178.2	-71.5	170.3	178.9	-145.2	-4.6	112.5	D786 G823 V824 W829	D786-R827 PolarHBondContact O-NH1 3.41Å; D786-R827 IonicContact OD1-CZ 3.36Å; D786-R827 IonicContact OD1-NE 3.77Å; D786-R827 IonicContact OD1-NH1 3.74Å; D786-R827 IonicContact OD1-NH2 3.01Å; D786-R827 PolarHBondContact OD1-NH2 3.5Å; D786-R827 IonicContact OD2-NH2 3.77Å; G823-R827 WeakPolarHBondContact O-CG 3.45Å; G823-R827 PolarHBondContact O-N 3.22Å; V824-R827 PolarHBondContact O-N 2.99Å; R827-W829 HydrophobicContact CB-CZ2 4.3Å; R827-W829 VanDerWaalsContact O-CD1 3.23Å
828	H	87.1	Confident	86.8	Confident	122 Å²	122	51.1 Å²	51.1	57%	0.565	29%	0.285	S	S	*	.			trans	-75.5	128.6	169	-171.1	81.5	0	0	0	109.6	R888	H828-R888 PolarHBondContact CE1-NH2 2.93Å; H828-R888 PolarHBondContact ND1-NH2 2.78Å
829	W	89.7	Confident	86.8	Confident	12 Å²	12	51.7 Å²	51.7	5%	0.045	29%	0.289	C	S	.	.			trans	-121.6	137.3	173.7	-62.6	95.9	0	0	0	111.2	C788 F791 A794 V824 R827 F838 R888	C788-W829 HydrophobicContact CB-CH2 4.31Å; C788-W829 WeakPolarHBondContact O-CH2 3.48Å; C788-W829 VanDerWaalsContact O-CZ3 3.32Å; C788-W829 WeakPolarHBondContact O-CZ3 3.28Å; F791-W829 HydrophobicContact CB-CB 3.91Å; F791-W829 HydrophobicContact CB-CD2 3.95Å; F791-W829 HydrophobicContact CB-CE3 4.17Å; F791-W829 HydrophobicContact CB-CG 3.83Å; F791-W829 HydrophobicContact CD2-CB 4.47Å; F791-W829 AromaticContact CD2-CD1 3.58Å; F791-W829 HydrophobicContact CD2-CD2 4.06Å; F791-W829 AromaticContact CD2-CG 3.78Å; F791-W829 HydrophobicContact CD2-CG 3.78Å; F791-W829 AromaticContact CD2-NE1 3.71Å; F791-W829 HydrophobicContact CG-CB 4.41Å; F791-W829 HydrophobicContact CG-CD2 4.49Å; F791-W829 HydrophobicContact CG-CG 4.14Å; A794-W829 HydrophobicContact CB-CH2 4.2Å; A794-W829 HydrophobicContact CB-CZ2 4.33Å; V824-W829 HydrophobicContact CG1-CZ2 3.92Å; V824-W829 PolarHBondContact O-NE1 3.47Å; R827-W829 HydrophobicContact CB-CZ2 4.3Å; R827-W829 VanDerWaalsContact O-CD1 3.23Å; W829-F838 HydrophobicContact CB-CE2 3.95Å; W829-F838 HydrophobicContact CB-CZ 4.27Å; W829-R888 PolarHBondContact O-NH2 2.71Å
830	P	83.9	Confident	86.6	Confident	79 Å²	79	53.5 Å²	53.5	51%	0.513	28%	0.282	S	S	.	.			trans	-68.9	154	167.3	30.5	-32.8	0	0	0	110.4
831	V	79.3	Confident	86.4	Confident	56 Å²	56	52.2 Å²	52.2	34%	0.339	27%	0.273	S	S	.	.			trans	-86.5	123.5	175.2	-178.8	0	0	0	0	108.7	W835	V831-W835 HydrophobicContact CG1-CD2 4.49Å; V831-W835 HydrophobicContact CG2-CD2 4.15Å; V831-W835 HydrophobicContact CG2-CE3 4.18Å; V831-W835 HydrophobicContact CG2-CH2 3.51Å; V831-W835 HydrophobicContact CG2-CZ2 3.47Å; V831-W835 VanDerWaalsContact CG2-CZ2 3.47Å; V831-W835 HydrophobicContact CG2-CZ3 3.87Å
832	E	69.3	Low	86.4	Confident	80 Å²	80	52.2 Å²	52.2	37%	0.374	27%	0.273	S	S	.	.			trans	-83.2	-55.4	-173.7	-64.1	153.1	-143	0	0	112.8	T790 F791 S792	T790-E832 VanDerWaalsContact CB-OE1 3.26Å; T790-E832 WeakPolarHBondContact CB-OE1 3.43Å; T790-E832 HydrophobicContact CG2-CG 4.38Å; F791-E832 PolarHBondContact N-OE1 3.26Å; S792-E832 WeakPolarHBondContact CB-OE2 3.44Å; S792-E832 PolarHBondContact N-OE1 3.37Å; S792-E832 PolarHBondContact OG-OE2 3.02Å
833	S	72	Confident	86.1	Confident	90 Å²	90	51.1 Å²	51.1	63%	0.629	27%	0.268	S	S	*	.	S	Bend	trans	-127.1	-67.1	-170.6	54.8	0	0	0	0	111.7
834	S	82.7	Confident	86	Confident	47 Å²	47	49.9 Å²	49.9	33%	0.329	26%	0.255	S	S	.	.			trans	-142.5	150.8	179.2	70.4	0	0	0	0	111.4	L836 V837 F838	S834-L836 PolarHBondContact O-N 3.42Å; S834-V837 PolarHBondContact O-N 3.25Å; S834-V837 WeakPolarHBondContact OG-CG2 3.47Å; S834-V837 PolarHBondContact OG-N 3.21Å; S834-F838 PolarHBondContact O-N 3.05Å
835	W	83	Confident	86	Confident	85 Å²	85	49.8 Å²	49.8	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-22.4	171.1	-76.7	110	0	0	0	113.4	V831 F838 S839 R888 E890 T891	V831-W835 HydrophobicContact CG1-CD2 4.49Å; V831-W835 HydrophobicContact CG2-CD2 4.15Å; V831-W835 HydrophobicContact CG2-CE3 4.18Å; V831-W835 HydrophobicContact CG2-CH2 3.51Å; V831-W835 HydrophobicContact CG2-CZ2 3.47Å; V831-W835 VanDerWaalsContact CG2-CZ2 3.47Å; V831-W835 HydrophobicContact CG2-CZ3 3.87Å; W835-F838 HydrophobicContact CE3-CB 4.37Å; W835-F838 HydrophobicContact CE3-CD1 4.08Å; W835-F838 HydrophobicContact CE3-CG 4.33Å; W835-F838 AromaticContact CZ3-CD1 3.97Å; W835-F838 HydrophobicContact CZ3-CD1 3.97Å; W835-F838 HydrophobicContact CZ3-CE1 4.24Å; W835-F838 HydrophobicContact CZ3-CG 4.42Å; W835-S839 WeakPolarHBondContact O-CB 3.43Å; W835-S839 PolarHBondContact O-N 2.61Å; W835-S839 PolarHBondContact O-OG 3.15Å; W835-R888 HydrophobicContact CH2-CB 4.48Å; W835-R888 VanDerWaalsContact CH2-CD 3.48Å; W835-E890 HydrophobicContact CB-CB 4.38Å; W835-E890 HydrophobicContact CD2-CB 3.6Å; W835-E890 HydrophobicContact CD2-CG 3.71Å; W835-E890 HydrophobicContact CE3-CB 3.62Å; W835-E890 HydrophobicContact CE3-CG 4.19Å; W835-E890 HydrophobicContact CG-CB 3.97Å; W835-E890 HydrophobicContact CG-CG 3.97Å; W835-E890 HydrophobicContact CH2-CB 4.45Å; W835-E890 HydrophobicContact CH2-CG 4.49Å; W835-E890 HydrophobicContact CZ2-CB 4.44Å; W835-E890 HydrophobicContact CZ2-CG 4.06Å; W835-E890 HydrophobicContact CZ3-CB 4.08Å; W835-T891 HydrophobicContact CE3-CG2 4.24Å; W835-T891 HydrophobicContact CZ3-CG2 4.15Å
836	L	83.1	Confident	85.9	Confident	135 Å²	135	49.8 Å²	49.8	71%	0.707	25%	0.254	S	S	*	.	H	α-helix	trans	-68.3	-50.3	175.8	-176.2	68.3	0	0	0	110.9	S834 S839 R840	S834-L836 PolarHBondContact O-N 3.42Å; L836-S839 PolarHBondContact O-N 2.94Å; L836-R840 WeakPolarHBondContact O-CB 3.43Å; L836-R840 PolarHBondContact O-N 3.06Å
837	V	81.5	Confident	85.7	Confident	41 Å²	41	45.4 Å²	45.4	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-44.4	176.7	174.1	0	0	0	0	110.2	S834 S839 R840 H841	S834-V837 PolarHBondContact O-N 3.25Å; S834-V837 WeakPolarHBondContact OG-CG2 3.47Å; S834-V837 PolarHBondContact OG-N 3.21Å; V837-S839 PolarHBondContact O-N 3.41Å; V837-R840 WeakPolarHBondContact O-CB 3.29Å; V837-R840 PolarHBondContact O-N 2.77Å; V837-R840 VanDerWaalsContact O-N 3.14Å; V837-H841 PolarHBondContact O-CD2 3.21Å; V837-H841 PolarHBondContact O-N 3.16Å
838	F	89.5	Confident	85.7	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-49.3	175.4	-168.1	-85.4	0	0	0	111.9	F791 W829 S834 W835 R840 H841 V842 T886 T891	F791-F838 HydrophobicContact CB-CD2 4.33Å; F791-F838 HydrophobicContact CB-CE2 3.88Å; F791-F838 AromaticContact CD1-CD2 3.61Å; F791-F838 HydrophobicContact CD1-CD2 3.61Å; F791-F838 HydrophobicContact CD1-CE1 4.43Å; F791-F838 AromaticContact CD1-CE2 3.49Å; F791-F838 HydrophobicContact CD1-CE2 3.49Å; F791-F838 VanDerWaalsContact CD1-CE2 3.49Å; F791-F838 HydrophobicContact CD1-CG 4.15Å; F791-F838 AromaticContact CD1-CZ 3.94Å; F791-F838 HydrophobicContact CD1-CZ 3.94Å; F791-F838 HydrophobicContact CE1-CD1 4.41Å; F791-F838 HydrophobicContact CE1-CD2 4.27Å; F791-F838 HydrophobicContact CE1-CE1 4.28Å; F791-F838 HydrophobicContact CE1-CE2 4.14Å; F791-F838 HydrophobicContact CE1-CG 4.4Å; F791-F838 HydrophobicContact CE1-CZ 4.14Å; F791-F838 HydrophobicContact CG-CD2 4.22Å; F791-F838 AromaticContact CG-CE2 3.72Å; F791-F838 HydrophobicContact CG-CE2 3.72Å; F791-F838 HydrophobicContact CG-CZ 4.2Å; W829-F838 HydrophobicContact CB-CE2 3.95Å; W829-F838 HydrophobicContact CB-CZ 4.27Å; S834-F838 PolarHBondContact O-N 3.05Å; W835-F838 HydrophobicContact CE3-CB 4.37Å; W835-F838 HydrophobicContact CE3-CD1 4.08Å; W835-F838 HydrophobicContact CE3-CG 4.33Å; W835-F838 AromaticContact CZ3-CD1 3.97Å; W835-F838 HydrophobicContact CZ3-CD1 3.97Å; W835-F838 HydrophobicContact CZ3-CE1 4.24Å; W835-F838 HydrophobicContact CZ3-CG 4.42Å; F838-R840 VanDerWaalsContact C-N 3.27Å; F838-R840 PolarHBondContact O-N 2.92Å; F838-H841 PolarHBondContact O-N 3Å; F838-V842 HydrophobicContact CD1-CG2 4Å; F838-V842 HydrophobicContact CE1-CG2 3.82Å; F838-V842 WeakPolarHBondContact O-CG2 3.42Å; F838-V842 PolarHBondContact O-N 3.19Å; F838-T886 HydrophobicContact CZ-CG2 4.24Å; F838-T891 HydrophobicContact CD1-CG2 3.67Å; F838-T891 HydrophobicContact CE1-CG2 3.89Å
839	S	89	Confident	85.9	Confident	15 Å²	15	35.4 Å²	35.4	11%	0.105	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-35.2	176.6	-69.9	0	0	0	0	112.8	W835 L836 V837 V842 S843 T894	W835-S839 WeakPolarHBondContact O-CB 3.43Å; W835-S839 PolarHBondContact O-N 2.61Å; W835-S839 PolarHBondContact O-OG 3.15Å; L836-S839 PolarHBondContact O-N 2.94Å; V837-S839 PolarHBondContact O-N 3.41Å; S839-V842 PolarHBondContact O-N 2.87Å; S839-S843 PolarHBondContact O-N 3.15Å; S839-T894 VanDerWaalsContact CB-OG1 3.31Å; S839-T894 WeakPolarHBondContact CB-OG1 3.35Å; S839-T894 WeakPolarHBondContact O-CG2 3.37Å; S839-T894 PolarHBondContact OG-OG1 3.24Å
840	R	87.3	Confident	85.9	Confident	81 Å²	81	35.6 Å²	35.6	31%	0.306	20%	0.195	S	C	.	.	H	α-helix	trans	-64.5	-45.9	176.2	-169.3	178.1	64.6	156.2	5.8	111.3	E673 L686 L836 V837 F838 V842 S843 Y844	E673-R840 IonicContact OE1-CZ 2.73Å; E673-R840 IonicContact OE1-NE 2.83Å; E673-R840 IonicContact OE1-NH1 3.37Å; E673-R840 IonicContact OE1-NH2 2.86Å; E673-R840 PolarHBondContact OE1-NH2 3.43Å; E673-R840 IonicContact OE2-CZ 3.08Å; E673-R840 IonicContact OE2-NE 3.86Å; E673-R840 IonicContact OE2-NH1 2.78Å; E673-R840 PolarHBondContact OE2-NH1 2.7Å; E673-R840 IonicContact OE2-NH2 3.53Å; E673-R840 PolarHBondContact OE2-NH2 3.33Å; L686-R840 HydrophobicContact CD2-CG 4.25Å; L836-R840 WeakPolarHBondContact O-CB 3.43Å; L836-R840 PolarHBondContact O-N 3.06Å; V837-R840 WeakPolarHBondContact O-CB 3.29Å; V837-R840 PolarHBondContact O-N 2.77Å; V837-R840 VanDerWaalsContact O-N 3.14Å; F838-R840 VanDerWaalsContact C-N 3.27Å; F838-R840 PolarHBondContact O-N 2.92Å; R840-V842 PolarHBondContact O-N 2.9Å; R840-S843 VanDerWaalsContact O-CB 3.28Å; R840-S843 WeakPolarHBondContact O-CB 3.26Å; R840-S843 PolarHBondContact O-N 2.83Å; R840-S843 VanDerWaalsContact O-N 3.15Å; R840-Y844 HydrophobicContact CG-CD2 4.22Å; R840-Y844 HydrophobicContact CG-CE2 3.46Å; R840-Y844 VanDerWaalsContact CG-CE2 3.46Å; R840-Y844 VanDerWaalsContact O-CD2 3.27Å; R840-Y844 WeakPolarHBondContact O-CD2 3.47Å; R840-Y844 PolarHBondContact O-N 2.85Å
841	H	88.7	Confident	86.1	Confident	3 Å²	3	33.9 Å²	33.9	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-37.1	174.9	-73.7	-64.3	0	0	0	113.1	F791 S795 V837 F838 S843 Y844 L845	F791-H841 HydrophobicContact CD1-CB 3.8Å; F791-H841 HydrophobicContact CE1-CB 3.4Å; F791-H841 HydrophobicContact CZ-CB 4.25Å; S795-H841 WeakPolarHBondContact CB-ND1 3.44Å; S795-H841 PolarHBondContact OG-ND1 3.34Å; V837-H841 PolarHBondContact O-CD2 3.21Å; V837-H841 PolarHBondContact O-N 3.16Å; F838-H841 PolarHBondContact O-N 3Å; H841-S843 VanDerWaalsContact C-N 3.34Å; H841-S843 PolarHBondContact O-N 3.29Å; H841-Y844 PolarHBondContact O-N 2.96Å; H841-L845 WeakPolarHBondContact O-CG 3.34Å; H841-L845 PolarHBondContact O-N 3.34Å
842	V	92	Very high	86.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-48	170.4	170.9	0	0	0	0	110.4	F791 F838 S839 R840 Y844 L845 L846 T891 T894 W895	F791-V842 HydrophobicContact CE1-CG2 3.73Å; F791-V842 HydrophobicContact CZ-CB 4.48Å; F791-V842 HydrophobicContact CZ-CG2 3.67Å; F838-V842 HydrophobicContact CD1-CG2 4Å; F838-V842 HydrophobicContact CE1-CG2 3.82Å; F838-V842 WeakPolarHBondContact O-CG2 3.42Å; F838-V842 PolarHBondContact O-N 3.19Å; S839-V842 PolarHBondContact O-N 2.87Å; R840-V842 PolarHBondContact O-N 2.9Å; V842-Y844 VanDerWaalsContact C-N 3.34Å; V842-Y844 PolarHBondContact O-N 3.39Å; V842-L845 PolarHBondContact O-N 3.34Å; V842-L846 HydrophobicContact CG1-CD1 3.81Å; V842-L846 HydrophobicContact CG1-CG 4.23Å; V842-L846 WeakPolarHBondContact O-CB 3.49Å; V842-L846 VanDerWaalsContact O-CG 3.27Å; V842-L846 WeakPolarHBondContact O-CG 3.31Å; V842-L846 PolarHBondContact O-N 2.78Å; V842-T891 HydrophobicContact CG2-CG2 4.37Å; V842-T894 HydrophobicContact CB-CG2 4.28Å; V842-T894 HydrophobicContact CG1-CG2 4.08Å; V842-W895 HydrophobicContact CG1-CZ2 4.35Å
843	S	88.9	Confident	87.5	Confident	10 Å²	10	30.2 Å²	30.2	7%	0.07	16%	0.158	C	C	.	.	H	α-helix	trans	-56.5	-45.2	175.8	-94.4	0	0	0	0	112.5	S839 R840 H841 N847 T894	S839-S843 PolarHBondContact O-N 3.15Å; R840-S843 VanDerWaalsContact O-CB 3.28Å; R840-S843 WeakPolarHBondContact O-CB 3.26Å; R840-S843 PolarHBondContact O-N 2.83Å; R840-S843 VanDerWaalsContact O-N 3.15Å; H841-S843 VanDerWaalsContact C-N 3.34Å; H841-S843 PolarHBondContact O-N 3.29Å; S843-N847 WeakPolarHBondContact O-CB 2.91Å; S843-N847 PolarHBondContact O-N 3.27Å; S843-N847 VanDerWaalsContact O-N 3.1Å; S843-N847 PolarHBondContact O-ND2 2.84Å; S843-T894 WeakPolarHBondContact OG-CG2 3.41Å
844	Y	88	Confident	88.1	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-46.1	178.5	-65.9	-50.2	0	0	0	112	E673 V676 L686 R840 H841 V842 L846 N847 I848	E673-Y844 HydrophobicContact CB-CE1 4.31Å; E673-Y844 HydrophobicContact CB-CE2 4.29Å; E673-Y844 WeakPolarHBondContact CB-OH 3.46Å; E673-Y844 HydrophobicContact CG-CD2 4.5Å; E673-Y844 HydrophobicContact CG-CE2 3.65Å; E673-Y844 PolarHBondContact OE2-OH 3.33Å; V676-Y844 HydrophobicContact CG1-CD1 4.06Å; L686-Y844 HydrophobicContact CD1-CD1 4.41Å; L686-Y844 HydrophobicContact CD1-CE1 3.66Å; R840-Y844 HydrophobicContact CG-CD2 4.22Å; R840-Y844 HydrophobicContact CG-CE2 3.46Å; R840-Y844 VanDerWaalsContact CG-CE2 3.46Å; R840-Y844 VanDerWaalsContact O-CD2 3.27Å; R840-Y844 WeakPolarHBondContact O-CD2 3.47Å; R840-Y844 PolarHBondContact O-N 2.85Å; H841-Y844 PolarHBondContact O-N 2.96Å; V842-Y844 VanDerWaalsContact C-N 3.34Å; V842-Y844 PolarHBondContact O-N 3.39Å; Y844-L846 PolarHBondContact O-N 3.28Å; Y844-N847 WeakPolarHBondContact O-CB 3.39Å; Y844-N847 PolarHBondContact O-N 3.46Å; Y844-I848 WeakPolarHBondContact O-CG1 3.25Å; Y844-I848 PolarHBondContact O-N 2.85Å
845	L	92.3	Very high	87.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-42.2	179	-69.2	-173.5	0	0	0	112.7	F791 L798 V824 L825 H841 V842 N847 I848 C849	F791-L845 HydrophobicContact CE2-CD1 3.54Å; F791-L845 HydrophobicContact CZ-CD1 3.69Å; L798-L845 HydrophobicContact CB-CD2 3.95Å; L798-L845 HydrophobicContact CD1-CD2 3.58Å; L798-L845 HydrophobicContact CG-CD2 4.42Å; V824-L845 HydrophobicContact CB-CD1 4.38Å; V824-L845 HydrophobicContact CG1-CD1 3.68Å; L825-L845 HydrophobicContact CD1-CB 4.31Å; L825-L845 HydrophobicContact CD2-CB 4.1Å; L825-L845 HydrophobicContact CD2-CD1 4.09Å; L825-L845 HydrophobicContact CG-CB 4.25Å; L825-L845 HydrophobicContact CG-CD1 4.29Å; H841-L845 WeakPolarHBondContact O-CG 3.34Å; H841-L845 PolarHBondContact O-N 3.34Å; V842-L845 PolarHBondContact O-N 3.34Å; L845-N847 PolarHBondContact O-N 3.41Å; L845-I848 HydrophobicContact CD2-CD1 4.34Å; L845-I848 PolarHBondContact O-N 2.93Å; L845-I848 VanDerWaalsContact O-N 3.16Å; L845-C849 PolarHBondContact O-N 3.17Å; L845-C849 PolarHBondContact O-SG 2.95Å
846	L	93.3	Very high	87.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-38.3	174.9	-71.2	175.6	0	0	0	111.9	L825 V842 Y844 C849 L850 L865 W895 F898	L825-L846 HydrophobicContact CD1-CD2 3.84Å; L825-L846 HydrophobicContact CD1-CG 4.48Å; V842-L846 HydrophobicContact CG1-CD1 3.81Å; V842-L846 HydrophobicContact CG1-CG 4.23Å; V842-L846 WeakPolarHBondContact O-CB 3.49Å; V842-L846 VanDerWaalsContact O-CG 3.27Å; V842-L846 WeakPolarHBondContact O-CG 3.31Å; V842-L846 PolarHBondContact O-N 2.78Å; Y844-L846 PolarHBondContact O-N 3.28Å; L846-C849 WeakPolarHBondContact O-CB 3.21Å; L846-C849 PolarHBondContact O-N 3.19Å; L846-L850 PolarHBondContact O-N 3.41Å; L846-L865 HydrophobicContact CD2-CD2 4.14Å; L846-W895 HydrophobicContact CD1-CD2 3.94Å; L846-W895 HydrophobicContact CD1-CE3 4.02Å; L846-W895 HydrophobicContact CD1-CG 4.38Å; L846-W895 HydrophobicContact CD1-CZ3 4.44Å; L846-W895 HydrophobicContact CD2-CD2 4.49Å; L846-W895 HydrophobicContact CD2-CE3 3.97Å; L846-W895 HydrophobicContact CD2-CH2 3.69Å; L846-W895 HydrophobicContact CD2-CZ2 4.22Å; L846-W895 HydrophobicContact CD2-CZ3 3.56Å; L846-F898 HydrophobicContact CB-CD1 3.96Å; L846-F898 HydrophobicContact CB-CD2 3.76Å; L846-F898 HydrophobicContact CB-CE1 3.94Å; L846-F898 HydrophobicContact CB-CE2 3.73Å; L846-F898 HydrophobicContact CB-CG 3.87Å; L846-F898 HydrophobicContact CB-CZ 3.81Å; L846-F898 HydrophobicContact CD1-CB 3.99Å; L846-F898 HydrophobicContact CD1-CD1 3.89Å; L846-F898 HydrophobicContact CD1-CG 3.88Å; L846-F898 HydrophobicContact CD2-CD1 4.38Å; L846-F898 HydrophobicContact CD2-CE1 4.32Å; L846-F898 HydrophobicContact CG-CD1 4.31Å; L846-F898 HydrophobicContact CG-CG 4.44Å; L846-F898 WeakPolarHBondContact O-CE2 3.12Å; L846-F898 VanDerWaalsContact O-CZ 3.22Å; L846-F898 WeakPolarHBondContact O-CZ 3.45Å
847	N	89.5	Confident	87.8	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-37.7	175.6	-86.5	-81.4	0	0	0	113	N680 L683 S843 Y844 L845 L850 W851	N680-N847 VanDerWaalsContact ND2-CB 3.33Å; N680-N847 WeakPolarHBondContact ND2-CB 3.02Å; N680-N847 PolarHBondContact ND2-O 2.97Å; N680-N847 PolarHBondContact ND2-OD1 3.35Å; L683-N847 HydrophobicContact CD1-CB 3.91Å; L683-N847 VanDerWaalsContact CD1-CG 3.44Å; L683-N847 WeakPolarHBondContact CD2-ND2 3.42Å; S843-N847 WeakPolarHBondContact O-CB 2.91Å; S843-N847 PolarHBondContact O-N 3.27Å; S843-N847 VanDerWaalsContact O-N 3.1Å; S843-N847 PolarHBondContact O-ND2 2.84Å; Y844-N847 WeakPolarHBondContact O-CB 3.39Å; Y844-N847 PolarHBondContact O-N 3.46Å; L845-N847 PolarHBondContact O-N 3.41Å; N847-L850 PolarHBondContact O-N 3.34Å; N847-W851 WeakPolarHBondContact O-CB 3.42Å; N847-W851 PolarHBondContact O-N 2.61Å
848	I	89.5	Confident	88.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.7	-42.4	173.1	-63	168.4	0	0	0	110.4	V676 L798 Q799 R802 I817 C821 Y844 L845 L850 W851 S852	V676-I848 HydrophobicContact CG1-CG1 4.48Å; L798-I848 HydrophobicContact CB-CD1 4.37Å; Q799-I848 HydrophobicContact CG-CD1 4.02Å; R802-I848 HydrophobicContact CB-CD1 4.31Å; R802-I848 HydrophobicContact CB-CG1 4.39Å; R802-I848 HydrophobicContact CB-CG2 4.35Å; R802-I848 HydrophobicContact CG-CG1 4.16Å; R802-I848 HydrophobicContact CG-CG2 4.26Å; I817-I848 HydrophobicContact CG2-CG2 3.61Å; C821-I848 WeakPolarHBondContact SG-CG2 3.32Å; Y844-I848 WeakPolarHBondContact O-CG1 3.25Å; Y844-I848 PolarHBondContact O-N 2.85Å; L845-I848 HydrophobicContact CD2-CD1 4.34Å; L845-I848 PolarHBondContact O-N 2.93Å; L845-I848 VanDerWaalsContact O-N 3.16Å; I848-L850 VanDerWaalsContact C-N 3.28Å; I848-L850 PolarHBondContact O-N 2.83Å; I848-W851 PolarHBondContact O-N 3.07Å; I848-S852 PolarHBondContact O-N 3Å
849	C	91.7	Very high	88.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-35.4	174.7	-68.5	0	0	0	0	113	C821 L845 L846 S852 Q853 F861	C821-C849 WeakPolarHBondContact CB-SG 3.1Å; L845-C849 PolarHBondContact O-N 3.17Å; L845-C849 PolarHBondContact O-SG 2.95Å; L846-C849 WeakPolarHBondContact O-CB 3.21Å; L846-C849 PolarHBondContact O-N 3.19Å; C849-S852 PolarHBondContact O-OG 3.33Å; C849-Q853 WeakPolarHBondContact O-CG 3.47Å; C849-Q853 PolarHBondContact O-NE2 2.82Å; C849-F861 HydrophobicContact CB-CE1 4.48Å; C849-F861 HydrophobicContact CB-CZ 3.77Å
850	L	90.2	Very high	88.5	Confident	17 Å²	17	38.1 Å²	38.1	9%	0.089	18%	0.181	C	C	.	.	H	α-helix	trans	-69.4	-44.8	174.1	179.1	65	0	0	0	111.3	Q682 L846 N847 I848 S852 Q853 T858 F898 T902	Q682-L850 HydrophobicContact CG-CD2 4.12Å; L846-L850 PolarHBondContact O-N 3.41Å; N847-L850 PolarHBondContact O-N 3.34Å; I848-L850 VanDerWaalsContact C-N 3.28Å; I848-L850 PolarHBondContact O-N 2.83Å; L850-S852 PolarHBondContact O-N 2.77Å; L850-Q853 WeakPolarHBondContact O-CB 3.41Å; L850-Q853 PolarHBondContact O-N 3.4Å; L850-T858 HydrophobicContact CD1-CG2 3.77Å; L850-F898 HydrophobicContact CB-CE2 4.34Å; L850-F898 HydrophobicContact CB-CZ 4.03Å; L850-F898 HydrophobicContact CD2-CE2 4.31Å; L850-F898 HydrophobicContact CD2-CZ 4.44Å; L850-T902 HydrophobicContact CD1-CG2 3.65Å; L850-T902 HydrophobicContact CD2-CG2 3.44Å; L850-T902 VanDerWaalsContact CD2-CG2 3.44Å; L850-T902 HydrophobicContact CG-CG2 4.19Å
851	W	87.5	Confident	88.8	Confident	43 Å²	43	35 Å²	35	16%	0.163	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-30.9	179.3	172.8	89.7	0	0	0	112.7	R802 A805 E806 K814 I817 N847 I848 Q853	R802-W851 HydrophobicContact CG-CE3 4.23Å; R802-W851 HydrophobicContact CG-CZ3 4.26Å; A805-W851 HydrophobicContact CB-CH2 3.75Å; A805-W851 HydrophobicContact CB-CZ3 4.45Å; E806-W851 HydrophobicContact CG-CZ2 4.08Å; K814-W851 HydrophobicContact CB-CZ3 4.38Å; K814-W851 HydrophobicContact CD-CH2 4.2Å; K814-W851 HydrophobicContact CD-CZ2 4.37Å; K814-W851 HydrophobicContact CD-CZ3 4.48Å; K814-W851 HydrophobicContact CG-CE3 4.42Å; K814-W851 HydrophobicContact CG-CH2 3.57Å; K814-W851 HydrophobicContact CG-CZ2 4.22Å; K814-W851 HydrophobicContact CG-CZ3 3.69Å; I817-W851 HydrophobicContact CD1-CZ3 4.32Å; N847-W851 WeakPolarHBondContact O-CB 3.42Å; N847-W851 PolarHBondContact O-N 2.61Å; I848-W851 PolarHBondContact O-N 3.07Å; W851-Q853 VanDerWaalsContact C-N 3.26Å; W851-Q853 PolarHBondContact O-N 3.04Å
852	S	88.7	Confident	89.1	Confident	11 Å²	11	34.9 Å²	34.9	8%	0.077	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.4	175.4	68.9	0	0	0	0	114	K814 G818 I848 C849 L850	K814-S852 WeakPolarHBondContact O-CB 3.28Å; G818-S852 WeakPolarHBondContact CA-OG 3.4Å; I848-S852 PolarHBondContact O-N 3Å; C849-S852 PolarHBondContact O-OG 3.33Å; L850-S852 PolarHBondContact O-N 2.77Å
853	Q	89	Confident	89.2	Confident	47 Å²	47	37.1 Å²	37.1	22%	0.22	18%	0.179	C	C	.	.	S	Bend	trans	-83.3	146.2	-179.4	-56.8	-51	-52.6	0	0	112.1	C849 L850 W851 F861	C849-Q853 WeakPolarHBondContact O-CG 3.47Å; C849-Q853 PolarHBondContact O-NE2 2.82Å; L850-Q853 WeakPolarHBondContact O-CB 3.41Å; L850-Q853 PolarHBondContact O-N 3.4Å; W851-Q853 VanDerWaalsContact C-N 3.26Å; W851-Q853 PolarHBondContact O-N 3.04Å; Q853-F861 HydrophobicContact CG-CB 3.93Å; Q853-F861 HydrophobicContact CG-CD1 3.82Å; Q853-F861 HydrophobicContact CG-CD2 4.01Å; Q853-F861 HydrophobicContact CG-CE1 4.36Å; Q853-F861 HydrophobicContact CG-CG 3.62Å
854	E	84	Confident	89.5	Confident	101 Å²	101	39.8 Å²	39.8	47%	0.472	19%	0.193	S	C	.	.			trans	-69.5	145.6	165.2	-63.9	-175.9	166.4	0	0	111	K811 N856 N857 T858	K811-E854 WeakPolarHBondContact CE-OE1 3.28Å; K811-E854 IonicContact NZ-OE1 3.5Å; K811-E854 PolarHBondContact NZ-OE1 3.49Å; E854-N856 PolarHBondContact O-N 3.08Å; E854-N857 PolarHBondContact O-N 3.41Å; E854-T858 PolarHBondContact O-N 3.44Å; E854-T858 PolarHBondContact O-OG1 3.24Å
855	E	78.7	Confident	89.8	Confident	150 Å²	150	39.8 Å²	39.8	70%	0.701	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.8	-176.6	-65.6	-169.8	164	0	0	113.6	T858	E855-T858 PolarHBondContact O-OG1 2.9Å; E855-T858 VanDerWaalsContact O-OG1 3.13Å
856	N	79.1	Confident	89.9	Confident	116 Å²	116	39.9 Å²	39.9	62%	0.62	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-21.2	179.5	-68.9	-24.2	0	0	0	113.5	E854	E854-N856 PolarHBondContact O-N 3.08Å
857	N	86	Confident	89.8	Confident	62 Å²	62	44.4 Å²	44.4	33%	0.332	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-8	-178.5	-159.1	34.9	0	0	0	113.2	E854 L859 K860 F861	E854-N857 PolarHBondContact O-N 3.41Å; N857-L859 VanDerWaalsContact C-N 3.35Å; N857-L859 PolarHBondContact O-N 3.28Å; N857-K860 PolarHBondContact O-N 3.15Å; N857-K860 VanDerWaalsContact O-N 3.11Å; N857-K860 WeakPolarHBondContact OD1-CB 3.27Å; N857-K860 WeakPolarHBondContact OD1-CD 3.36Å; N857-F861 WeakPolarHBondContact O-CB 3.05Å; N857-F861 PolarHBondContact O-N 2.79Å
858	T	89.4	Confident	89.9	Confident	19 Å²	19	47.7 Å²	47.7	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-48.9	-49.8	-177.3	-54.2	0	0	0	0	113.3	L850 E854 E855 F861 L862	L850-T858 HydrophobicContact CD1-CG2 3.77Å; E854-T858 PolarHBondContact O-N 3.44Å; E854-T858 PolarHBondContact O-OG1 3.24Å; E855-T858 PolarHBondContact O-OG1 2.9Å; E855-T858 VanDerWaalsContact O-OG1 3.13Å; T858-F861 WeakPolarHBondContact O-CB 3.5Å; T858-F861 PolarHBondContact O-N 3.02Å; T858-L862 HydrophobicContact CG2-CD1 4.32Å; T858-L862 VanDerWaalsContact O-CG 3.31Å; T858-L862 WeakPolarHBondContact O-CG 2.89Å; T858-L862 PolarHBondContact O-N 2.92Å
859	L	92.1	Very high	89.9	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-36.7	-178	-76.7	170.2	0	0	0	113.4	N857 L862 E863 L903 D906 V925 L928 L932	N857-L859 VanDerWaalsContact C-N 3.35Å; N857-L859 PolarHBondContact O-N 3.28Å; L859-L862 PolarHBondContact O-N 3.42Å; L859-E863 PolarHBondContact O-N 2.88Å; L859-L903 HydrophobicContact CD2-CD1 3.75Å; L859-D906 WeakPolarHBondContact CD1-OD2 3.25Å; L859-D906 WeakPolarHBondContact CD2-OD2 3.05Å; L859-D906 VanDerWaalsContact CG-OD2 3.32Å; L859-D906 WeakPolarHBondContact CG-OD2 3.37Å; L859-V925 HydrophobicContact CD1-CG1 3.65Å; L859-L928 HydrophobicContact CB-CD2 3.7Å; L859-L928 HydrophobicContact CB-CG 4.23Å; L859-L932 HydrophobicContact CD2-CD1 4.14Å
860	K	92.1	Very high	89.9	Confident	131 Å²	131	47.7 Å²	47.7	57%	0.57	23%	0.232	S	C	*	.	H	α-helix	trans	-68.2	-40.4	176.3	-68.5	176.8	179.2	173.8	0	110.6	N857 E863 D864 L928	N857-K860 PolarHBondContact O-N 3.15Å; N857-K860 VanDerWaalsContact O-N 3.11Å; N857-K860 WeakPolarHBondContact OD1-CB 3.27Å; N857-K860 WeakPolarHBondContact OD1-CD 3.36Å; K860-E863 PolarHBondContact O-N 3.04Å; K860-D864 PolarHBondContact O-N 2.81Å; K860-L928 HydrophobicContact CG-CD2 4.27Å
861	F	94.1	Very high	89.8	Confident	15 Å²	15	47.2 Å²	47.2	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-46.5	172.1	171.7	-102.9	0	0	0	111.4	L822 C849 Q853 N857 T858 E863 D864 L865	L822-F861 HydrophobicContact CD1-CE2 4.45Å; L822-F861 HydrophobicContact CD2-CE2 4.33Å; C849-F861 HydrophobicContact CB-CE1 4.48Å; C849-F861 HydrophobicContact CB-CZ 3.77Å; Q853-F861 HydrophobicContact CG-CB 3.93Å; Q853-F861 HydrophobicContact CG-CD1 3.82Å; Q853-F861 HydrophobicContact CG-CD2 4.01Å; Q853-F861 HydrophobicContact CG-CE1 4.36Å; Q853-F861 HydrophobicContact CG-CG 3.62Å; N857-F861 WeakPolarHBondContact O-CB 3.05Å; N857-F861 PolarHBondContact O-N 2.79Å; T858-F861 WeakPolarHBondContact O-CB 3.5Å; T858-F861 PolarHBondContact O-N 3.02Å; F861-E863 VanDerWaalsContact C-N 3.31Å; F861-E863 PolarHBondContact O-N 3.24Å; F861-D864 PolarHBondContact O-N 2.66Å; F861-L865 HydrophobicContact CE1-CD2 3.96Å; F861-L865 HydrophobicContact CZ-CD1 4.45Å; F861-L865 HydrophobicContact CZ-CD2 4.02Å; F861-L865 WeakPolarHBondContact O-CB 3.44Å; F861-L865 PolarHBondContact O-N 3.36Å
862	L	94.5	Very high	89.9	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-36.6	176	-71	176.9	0	0	0	112.4	T858 L859 T866 F898 L899 T902 L932	T858-L862 HydrophobicContact CG2-CD1 4.32Å; T858-L862 VanDerWaalsContact O-CG 3.31Å; T858-L862 WeakPolarHBondContact O-CG 2.89Å; T858-L862 PolarHBondContact O-N 2.92Å; L859-L862 PolarHBondContact O-N 3.42Å; L862-T866 WeakPolarHBondContact O-CB 3.46Å; L862-T866 PolarHBondContact O-N 2.92Å; L862-T866 PolarHBondContact O-OG1 2.9Å; L862-F898 HydrophobicContact CD2-CE1 4.34Å; L862-L899 HydrophobicContact CD2-CD2 3.89Å; L862-T902 HydrophobicContact CD1-CG2 3.97Å; L862-T902 HydrophobicContact CD2-CG2 4.05Å; L862-T902 HydrophobicContact CG-CG2 4.48Å; L862-L932 HydrophobicContact CB-CD1 4Å
863	E	95.4	Very high	89.8	Confident	46 Å²	46	46.6 Å²	46.6	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-51.4	174.9	-174.4	174.7	-136.2	0	0	111.5	L859 K860 F861 L865 T866 L867 L928 R931 L932	L859-E863 PolarHBondContact O-N 2.88Å; K860-E863 PolarHBondContact O-N 3.04Å; F861-E863 VanDerWaalsContact C-N 3.31Å; F861-E863 PolarHBondContact O-N 3.24Å; E863-L865 VanDerWaalsContact C-N 3.32Å; E863-L865 PolarHBondContact O-N 3.49Å; E863-T866 PolarHBondContact O-N 2.87Å; E863-L867 HydrophobicContact CG-CD1 3.84Å; E863-L867 HydrophobicContact CG-CG 4.45Å; E863-L867 WeakPolarHBondContact O-CB 3.35Å; E863-L867 VanDerWaalsContact O-CG 3.29Å; E863-L867 WeakPolarHBondContact O-CG 3.18Å; E863-L867 PolarHBondContact O-N 2.96Å; E863-L928 HydrophobicContact CB-CD1 4.12Å; E863-L928 HydrophobicContact CG-CD1 4.13Å; E863-L928 VanDerWaalsContact OE1-CD1 3.29Å; E863-L928 WeakPolarHBondContact OE1-CD1 3.36Å; E863-L928 VanDerWaalsContact OE2-CD1 3.29Å; E863-L928 WeakPolarHBondContact OE2-CD1 3.23Å; E863-R931 IonicContact OE1-CZ 3.86Å; E863-R931 IonicContact OE1-NH1 3.32Å; E863-R931 PolarHBondContact OE1-NH1 2.86Å; E863-L932 HydrophobicContact CB-CD1 4.45Å; E863-L932 HydrophobicContact CB-CD2 3.85Å; E863-L932 HydrophobicContact CG-CD2 4.09Å
864	D	94.1	Very high	89.6	Confident	66 Å²	66	44.9 Å²	44.9	35%	0.353	22%	0.221	S	C	.	.	H	α-helix	trans	-58.6	-46.3	177.7	-168.3	57.3	0	0	0	111.4	K860 F861 L867 K868	K860-D864 PolarHBondContact O-N 2.81Å; F861-D864 PolarHBondContact O-N 2.66Å; D864-L867 PolarHBondContact O-N 3.17Å; D864-K868 VanDerWaalsContact O-CB 3.32Å; D864-K868 WeakPolarHBondContact O-CB 3.05Å; D864-K868 WeakPolarHBondContact O-CG 3.44Å; D864-K868 PolarHBondContact O-N 3.2Å; D864-K868 WeakPolarHBondContact OD1-CD 3.3Å; D864-K868 WeakPolarHBondContact OD1-CE 3.41Å; D864-K868 IonicContact OD1-NZ 3.15Å; D864-K868 PolarHBondContact OD1-NZ 3.39Å; D864-K868 IonicContact OD2-NZ 2.96Å; D864-K868 PolarHBondContact OD2-NZ 2.98Å
865	L	94.6	Very high	89.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-44.3	178.5	-168.8	68.7	0	0	0	111.5	L846 F861 E863 S869 Y884 W895 F898 L899	L846-L865 HydrophobicContact CD2-CD2 4.14Å; F861-L865 HydrophobicContact CE1-CD2 3.96Å; F861-L865 HydrophobicContact CZ-CD1 4.45Å; F861-L865 HydrophobicContact CZ-CD2 4.02Å; F861-L865 WeakPolarHBondContact O-CB 3.44Å; F861-L865 PolarHBondContact O-N 3.36Å; E863-L865 VanDerWaalsContact C-N 3.32Å; E863-L865 PolarHBondContact O-N 3.49Å; L865-S869 WeakPolarHBondContact O-CB 3.08Å; L865-S869 PolarHBondContact O-N 2.87Å; L865-S869 PolarHBondContact O-OG 3.48Å; L865-Y884 HydrophobicContact CD1-CE1 4.21Å; L865-Y884 HydrophobicContact CD1-CE2 3.79Å; L865-Y884 WeakPolarHBondContact CD1-OH 3.25Å; L865-W895 HydrophobicContact CD1-CH2 4.24Å; L865-W895 HydrophobicContact CD1-CZ3 3.64Å; L865-W895 HydrophobicContact CD2-CZ3 4.37Å; L865-W895 HydrophobicContact CG-CZ3 3.95Å; L865-F898 HydrophobicContact CD2-CD1 4.29Å; L865-F898 HydrophobicContact CD2-CE1 3.66Å; L865-L899 HydrophobicContact CB-CD2 4.46Å; L865-L899 HydrophobicContact CD2-CD2 3.84Å; L865-L899 HydrophobicContact CG-CD2 4.26Å
866	T	94.1	Very high	89.4	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-44.8	-179.6	-60.2	0	0	0	0	111.2	L862 E863 I870 G871 L899 F935 L936	L862-T866 WeakPolarHBondContact O-CB 3.46Å; L862-T866 PolarHBondContact O-N 2.92Å; L862-T866 PolarHBondContact O-OG1 2.9Å; E863-T866 PolarHBondContact O-N 2.87Å; T866-I870 PolarHBondContact O-N 3.31Å; T866-G871 PolarHBondContact O-N 2.77Å; T866-L899 HydrophobicContact CG2-CD1 4.37Å; T866-L899 WeakPolarHBondContact OG1-CD2 3.2Å; T866-F935 HydrophobicContact CG2-CD1 3.33Å; T866-F935 HydrophobicContact CG2-CE1 3.37Å; T866-F935 HydrophobicContact CG2-CG 4.31Å; T866-F935 HydrophobicContact CG2-CZ 4.37Å; T866-L936 HydrophobicContact CG2-CD2 4.36Å
867	L	92	Very high	89	Confident	95 Å²	95	43.6 Å²	43.6	50%	0.497	22%	0.221	S	C	.	.	I	π-helix	trans	-65.4	-47.5	-180	-72	170.7	0	0	0	111.3	E863 D864 G871 E872	E863-L867 HydrophobicContact CG-CD1 3.84Å; E863-L867 HydrophobicContact CG-CG 4.45Å; E863-L867 WeakPolarHBondContact O-CB 3.35Å; E863-L867 VanDerWaalsContact O-CG 3.29Å; E863-L867 WeakPolarHBondContact O-CG 3.18Å; E863-L867 PolarHBondContact O-N 2.96Å; D864-L867 PolarHBondContact O-N 3.17Å; L867-G871 CarbonylContact O-C 3.31Å; L867-G871 WeakPolarHBondContact O-CA 3.18Å; L867-G871 PolarHBondContact O-N 2.92Å; L867-E872 PolarHBondContact O-N 3.49Å
868	K	90.9	Very high	88.3	Confident	70 Å²	70	44.9 Å²	44.9	30%	0.304	23%	0.233	S	C	.	.	I	π-helix	trans	-75.1	-23.4	-178	-72.7	168.6	175.8	166.3	0	113.9	D864 E872 S881 T883 Y884	D864-K868 VanDerWaalsContact O-CB 3.32Å; D864-K868 WeakPolarHBondContact O-CB 3.05Å; D864-K868 WeakPolarHBondContact O-CG 3.44Å; D864-K868 PolarHBondContact O-N 3.2Å; D864-K868 WeakPolarHBondContact OD1-CD 3.3Å; D864-K868 WeakPolarHBondContact OD1-CE 3.41Å; D864-K868 IonicContact OD1-NZ 3.15Å; D864-K868 PolarHBondContact OD1-NZ 3.39Å; D864-K868 IonicContact OD2-NZ 2.96Å; D864-K868 PolarHBondContact OD2-NZ 2.98Å; K868-E872 WeakPolarHBondContact CA-OE1 3.28Å; K868-E872 WeakPolarHBondContact O-CG 3.17Å; K868-S881 PolarHBondContact O-OG 3.48Å; K868-T883 HydrophobicContact CB-CG2 4.12Å; K868-T883 HydrophobicContact CD-CG2 4.23Å; K868-T883 HydrophobicContact CG-CG2 4.43Å; K868-Y884 HydrophobicContact CB-CD2 4.02Å; K868-Y884 HydrophobicContact CB-CE2 3.62Å
869	S	90.8	Very high	87.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-94.7	-86.6	177.6	63.9	0	0	0	0	112.1	L865 G871 A873	L865-S869 WeakPolarHBondContact O-CB 3.08Å; L865-S869 PolarHBondContact O-N 2.87Å; L865-S869 PolarHBondContact O-OG 3.48Å; S869-G871 VanDerWaalsContact C-N 3.32Å; S869-G871 PolarHBondContact O-N 3.46Å; S869-A873 VanDerWaalsContact O-CB 3.31Å; S869-A873 WeakPolarHBondContact O-CB 3.4Å; S869-A873 PolarHBondContact O-N 3.37Å; S869-A873 VanDerWaalsContact O-N 3.14Å
870	I	90.6	Very high	87.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-64.1	-37.5	-178.3	-62.6	-179.6	0	0	0	110.9	T866 A873 L874 F887 Y896 L899 F935 L936 V940	T866-I870 PolarHBondContact O-N 3.31Å; I870-A873 PolarHBondContact O-N 2.86Å; I870-L874 HydrophobicContact CG2-CD1 3.77Å; I870-L874 HydrophobicContact CG2-CG 3.92Å; I870-L874 WeakPolarHBondContact O-CB 3.48Å; I870-L874 WeakPolarHBondContact O-CG 3.36Å; I870-L874 PolarHBondContact O-N 3.01Å; I870-F887 HydrophobicContact CB-CE2 4.34Å; I870-F887 HydrophobicContact CB-CZ 4.31Å; I870-F887 HydrophobicContact CD1-CE2 4.46Å; I870-F887 HydrophobicContact CG1-CE2 3.41Å; I870-F887 VanDerWaalsContact CG1-CE2 3.41Å; I870-F887 HydrophobicContact CG1-CZ 3.71Å; I870-Y896 HydrophobicContact CD1-CD2 4.34Å; I870-L899 HydrophobicContact CD1-CD1 3.57Å; I870-L899 HydrophobicContact CG1-CD1 4.15Å; I870-F935 HydrophobicContact CB-CE1 4.2Å; I870-F935 HydrophobicContact CG2-CE1 3.84Å; I870-F935 HydrophobicContact CG2-CZ 4.17Å; I870-L936 HydrophobicContact CD1-CD2 4.26Å; I870-V940 HydrophobicContact CG2-CG2 3.72Å
871	G	88.3	Confident	87	Confident	6 Å²	6	45.4 Å²	45.4	6%	0.062	24%	0.237	C	C	.	.	I	π-helix	trans	-56.6	-62.5	178	0	0	0	0	0	112.2	T866 L867 S869 A873 L874 E875	T866-G871 PolarHBondContact O-N 2.77Å; L867-G871 CarbonylContact O-C 3.31Å; L867-G871 WeakPolarHBondContact O-CA 3.18Å; L867-G871 PolarHBondContact O-N 2.92Å; S869-G871 VanDerWaalsContact C-N 3.32Å; S869-G871 PolarHBondContact O-N 3.46Å; G871-A873 PolarHBondContact O-N 3.48Å; G871-L874 PolarHBondContact O-N 3.18Å; G871-L874 VanDerWaalsContact O-N 3.12Å; G871-E875 PolarHBondContact O-N 3.43Å
872	E	88.6	Confident	86.5	Confident	41 Å²	41	50 Å²	50	19%	0.192	27%	0.266	C	S	.	.	H	α-helix	trans	-52.7	-43.1	175.6	-70.8	179.3	-160.6	0	0	112.3	L867 K868 L874 E875 S876 S881 T882 T883	L867-E872 PolarHBondContact O-N 3.49Å; K868-E872 WeakPolarHBondContact CA-OE1 3.28Å; K868-E872 WeakPolarHBondContact O-CG 3.17Å; E872-L874 VanDerWaalsContact C-N 3.33Å; E872-L874 PolarHBondContact O-N 3.15Å; E872-E875 PolarHBondContact O-N 3.26Å; E872-S876 PolarHBondContact O-N 3Å; E872-S876 PolarHBondContact O-OG 3.21Å; E872-S881 PolarHBondContact OE2-OG 2.75Å; E872-T882 PolarHBondContact OE2-N 3.39Å; E872-T882 PolarHBondContact OE2-OG1 2.93Å; E872-T883 WeakPolarHBondContact OE1-CB 3.06Å; E872-T883 PolarHBondContact OE1-OG1 3.35Å; E872-T883 PolarHBondContact OE2-N 2.95Å; E872-T883 PolarHBondContact OE2-OG1 3.38Å
873	A	86.6	Confident	86.2	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-70.4	-26.8	-177.5	0	0	0	0	0	114.2	S869 I870 G871 S876 F879 F887	S869-A873 VanDerWaalsContact O-CB 3.31Å; S869-A873 WeakPolarHBondContact O-CB 3.4Å; S869-A873 PolarHBondContact O-N 3.37Å; S869-A873 VanDerWaalsContact O-N 3.14Å; I870-A873 PolarHBondContact O-N 2.86Å; G871-A873 PolarHBondContact O-N 3.48Å; A873-S876 PolarHBondContact O-OG 3.38Å; A873-F879 PolarHBondContact O-N 3.47Å; A873-F887 HydrophobicContact CB-CD1 3.69Å; A873-F887 HydrophobicContact CB-CE1 3.16Å; A873-F887 HydrophobicContact CB-CZ 3.9Å
874	L	84.6	Confident	86	Confident	11 Å²	11	49.8 Å²	49.8	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-81.4	-17.7	174.1	-74.5	-177.9	0	0	0	112.9	I870 G871 E872 F879 F935 V940 K943 V944	I870-L874 HydrophobicContact CG2-CD1 3.77Å; I870-L874 HydrophobicContact CG2-CG 3.92Å; I870-L874 WeakPolarHBondContact O-CB 3.48Å; I870-L874 WeakPolarHBondContact O-CG 3.36Å; I870-L874 PolarHBondContact O-N 3.01Å; G871-L874 PolarHBondContact O-N 3.18Å; G871-L874 VanDerWaalsContact O-N 3.12Å; E872-L874 VanDerWaalsContact C-N 3.33Å; E872-L874 PolarHBondContact O-N 3.15Å; L874-F879 HydrophobicContact CD2-CD1 4.46Å; L874-F879 HydrophobicContact CD2-CE1 3.8Å; L874-F935 HydrophobicContact CD1-CZ 3.94Å; L874-V940 HydrophobicContact CD1-CG2 4.06Å; L874-K943 HydrophobicContact CD2-CB 4.13Å; L874-K943 HydrophobicContact CD2-CD 3.83Å; L874-K943 PolarHBondContact O-NZ 3.42Å; L874-V944 HydrophobicContact CD2-CG2 4.42Å
875	E	82.5	Confident	85.7	Confident	164 Å²	164	50.4 Å²	50.4	77%	0.766	27%	0.268	S	S	*	.	H	α-helix	trans	-86.7	-34	173.8	-70.4	-179.8	179.9	0	0	111.7	G871 E872 D877	G871-E875 PolarHBondContact O-N 3.43Å; E872-E875 PolarHBondContact O-N 3.26Å; E875-D877 VanDerWaalsContact C-N 3.29Å; E875-D877 PolarHBondContact O-N 2.59Å
876	S	76.1	Confident	85.5	Confident	50 Å²	50	50.4 Å²	50.4	35%	0.35	27%	0.268	S	S	.	.	S	Bend	trans	-76.8	-10.1	-178.2	67.1	0	0	0	0	114.6	E872 A873 C878 E880	E872-S876 PolarHBondContact O-N 3Å; E872-S876 PolarHBondContact O-OG 3.21Å; A873-S876 PolarHBondContact O-OG 3.38Å; S876-C878 PolarHBondContact O-N 3.24Å; S876-E880 PolarHBondContact OG-O 2.78Å; S876-E880 VanDerWaalsContact OG-O 3.1Å
877	D	71.1	Confident	85.3	Confident	126 Å²	126	50.3 Å²	50.3	67%	0.674	27%	0.268	S	S	*	.	S	Bend	trans	53.9	-11.7	-171	-73	-28.9	0	0	0	115.8	E875	E875-D877 VanDerWaalsContact C-N 3.29Å; E875-D877 PolarHBondContact O-N 2.59Å
878	C	71.3	Confident	85.1	Confident	88 Å²	88	47.3 Å²	47.3	60%	0.595	25%	0.25	S	C	*	.	S	Bend	trans	-81.3	-11.1	176	-67.7	0	0	0	0	113.3	S876 E880	S876-C878 PolarHBondContact O-N 3.24Å; C878-E880 VanDerWaalsContact C-N 3.25Å; C878-E880 PolarHBondContact O-N 2.95Å
879	F	79.7	Confident	84.9	Confident	47 Å²	47	49.3 Å²	49.3	21%	0.206	26%	0.258	C	S	.	.	S	Bend	trans	58.7	33.7	-173.4	-64	-83.2	0	0	0	114.2	A873 L874 R888 K889 L892 V944	A873-F879 PolarHBondContact O-N 3.47Å; L874-F879 HydrophobicContact CD2-CD1 4.46Å; L874-F879 HydrophobicContact CD2-CE1 3.8Å; F879-R888 CarbonylContact O-C 3.6Å; F879-K889 HydrophobicContact CB-CB 4.33Å; F879-K889 PolarHBondContact O-N 2.83Å; F879-L892 HydrophobicContact CD1-CD2 4.19Å; F879-V944 HydrophobicContact CE1-CG2 3.66Å; F879-V944 HydrophobicContact CZ-CG2 4.25Å
880	E	81.9	Confident	84.8	Confident	115 Å²	115	53.3 Å²	53.3	54%	0.537	28%	0.277	S	S	.	.			trans	-122.6	137.3	173.9	-65.4	-178.4	168.6	0	0	108.9	S876 C878	S876-E880 PolarHBondContact OG-O 2.78Å; S876-E880 VanDerWaalsContact OG-O 3.1Å; C878-E880 VanDerWaalsContact C-N 3.25Å; C878-E880 PolarHBondContact O-N 2.95Å
881	S	84.8	Confident	84.7	Confident	8 Å²	8	53.3 Å²	53.3	6%	0.056	28%	0.277	C	S	.	.			trans	-92.8	139	176.1	167.9	0	0	0	0	109.9	K868 E872 T883 Y884	K868-S881 PolarHBondContact O-OG 3.48Å; E872-S881 PolarHBondContact OE2-OG 2.75Å; S881-T883 PolarHBondContact OG-N 3.47Å; S881-Y884 WeakPolarHBondContact CB-O 3.44Å; S881-Y884 PolarHBondContact OG-N 2.78Å
882	T	83.3	Confident	84.9	Confident	112 Å²	112	53 Å²	53	69%	0.687	27%	0.274	S	S	*	.	S	Bend	trans	-78.3	-34.2	176.2	62.3	0	0	0	0	111.4	E872	E872-T882 PolarHBondContact OE2-N 3.39Å; E872-T882 PolarHBondContact OE2-OG1 2.93Å
883	T	88.7	Confident	85	Confident	39 Å²	39	53.4 Å²	53.4	24%	0.239	28%	0.276	C	S	.	.	S	Bend	trans	-76.1	-53.7	176.7	-63.9	0	0	0	0	111.5	K826 K868 E872 S881	K826-T883 WeakPolarHBondContact CA-O 3.17Å; K826-T883 WeakPolarHBondContact CB-O 3.44Å; K826-T883 HydrophobicContact CG-CG2 4.42Å; K826-T883 WeakPolarHBondContact CG-O 3.5Å; K868-T883 HydrophobicContact CB-CG2 4.12Å; K868-T883 HydrophobicContact CD-CG2 4.23Å; K868-T883 HydrophobicContact CG-CG2 4.43Å; E872-T883 WeakPolarHBondContact OE1-CB 3.06Å; E872-T883 PolarHBondContact OE1-OG1 3.35Å; E872-T883 PolarHBondContact OE2-N 2.95Å; E872-T883 PolarHBondContact OE2-OG1 3.38Å; S881-T883 PolarHBondContact OG-N 3.47Å
884	Y	90.8	Very high	85.2	Confident	4 Å²	4	54 Å²	54	2%	0.016	28%	0.279	C	S	.	.			trans	-104	90.1	-176.3	-66.8	-73.1	0	0	0	110.8	L822 L825 K826 L865 K868 S881 T886 F887 W895	L822-Y884 HydrophobicContact CD2-CE1 3.9Å; L825-Y884 HydrophobicContact CB-CD1 3.94Å; L825-Y884 HydrophobicContact CB-CE1 4.34Å; K826-Y884 HydrophobicContact CG-CD1 3.95Å; K826-Y884 HydrophobicContact CG-CE1 4.04Å; L865-Y884 HydrophobicContact CD1-CE1 4.21Å; L865-Y884 HydrophobicContact CD1-CE2 3.79Å; L865-Y884 WeakPolarHBondContact CD1-OH 3.25Å; K868-Y884 HydrophobicContact CB-CD2 4.02Å; K868-Y884 HydrophobicContact CB-CE2 3.62Å; S881-Y884 WeakPolarHBondContact CB-O 3.44Å; S881-Y884 PolarHBondContact OG-N 2.78Å; Y884-T886 PolarHBondContact O-N 3.29Å; Y884-T886 VanDerWaalsContact O-N 3.09Å; Y884-F887 WeakPolarHBondContact O-CA 3.29Å; Y884-F887 WeakPolarHBondContact O-CB 3.27Å; Y884-F887 PolarHBondContact O-N 2.82Å; Y884-W895 AromaticContact CD1-CH2 3.96Å; Y884-W895 HydrophobicContact CD1-CH2 3.96Å; Y884-W895 HydrophobicContact CD2-CH2 4.31Å; Y884-W895 AromaticContact CG-CH2 3.83Å; Y884-W895 HydrophobicContact CG-CH2 3.83Å
885	Q	89.2	Confident	85.6	Confident	79 Å²	79	53.4 Å²	53.4	37%	0.369	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.1	-176.3	-61.1	179.6	13.2	0	0	114.3	L825 K826 F887 R888	L825-Q885 PolarHBondContact O-N 2.91Å; K826-Q885 WeakPolarHBondContact O-CB 3.27Å; K826-Q885 VanDerWaalsContact O-CG 3.24Å; K826-Q885 WeakPolarHBondContact O-CG 3.39Å; Q885-F887 VanDerWaalsContact C-N 3.33Å; Q885-R888 PolarHBondContact O-NE 2.72Å
886	T	89.7	Confident	86.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.9	167.7	54.1	0	0	0	0	113.3	F791 L825 F838 Y884 R888 T891	F791-T886 HydrophobicContact CD2-CG2 4.47Å; F791-T886 HydrophobicContact CE2-CG2 3.92Å; F791-T886 HydrophobicContact CZ-CG2 4.33Å; L825-T886 HydrophobicContact CD2-CG2 4.37Å; L825-T886 WeakPolarHBondContact CD2-OG1 3.49Å; L825-T886 WeakPolarHBondContact O-CG2 3.42Å; L825-T886 PolarHBondContact O-N 3.23Å; L825-T886 PolarHBondContact O-OG1 3.47Å; F838-T886 HydrophobicContact CZ-CG2 4.24Å; Y884-T886 PolarHBondContact O-N 3.29Å; Y884-T886 VanDerWaalsContact O-N 3.09Å; T886-R888 PolarHBondContact O-N 3.42Å; T886-T891 PolarHBondContact O-OG1 2.85Å
887	F	90	Very high	87	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.23	C	C	.	.			trans	-80.4	111.7	169.5	-173.2	-77.5	0	0	0	109.7	I870 A873 Y884 Q885 L892 W895	I870-F887 HydrophobicContact CB-CE2 4.34Å; I870-F887 HydrophobicContact CB-CZ 4.31Å; I870-F887 HydrophobicContact CD1-CE2 4.46Å; I870-F887 HydrophobicContact CG1-CE2 3.41Å; I870-F887 VanDerWaalsContact CG1-CE2 3.41Å; I870-F887 HydrophobicContact CG1-CZ 3.71Å; A873-F887 HydrophobicContact CB-CD1 3.69Å; A873-F887 HydrophobicContact CB-CE1 3.16Å; A873-F887 HydrophobicContact CB-CZ 3.9Å; Y884-F887 WeakPolarHBondContact O-CA 3.29Å; Y884-F887 WeakPolarHBondContact O-CB 3.27Å; Y884-F887 PolarHBondContact O-N 2.82Å; Q885-F887 VanDerWaalsContact C-N 3.33Å; F887-L892 HydrophobicContact CE1-CD1 4.18Å; F887-L892 HydrophobicContact CE2-CD1 4.06Å; F887-L892 HydrophobicContact CZ-CD1 3.36Å; F887-W895 HydrophobicContact CB-CZ2 4.35Å; F887-W895 HydrophobicContact CD2-CB 3.86Å; F887-W895 AromaticContact CD2-CD1 3.52Å; F887-W895 AromaticContact CD2-CD2 3.66Å; F887-W895 HydrophobicContact CD2-CD2 3.66Å; F887-W895 AromaticContact CD2-CE2 3.93Å; F887-W895 HydrophobicContact CD2-CE3 4.26Å; F887-W895 AromaticContact CD2-CG 3.43Å; F887-W895 HydrophobicContact CD2-CG 3.43Å; F887-W895 VanDerWaalsContact CD2-CG 3.43Å; F887-W895 AromaticContact CD2-NE1 3.83Å; F887-W895 HydrophobicContact CE2-CB 3.7Å; F887-W895 HydrophobicContact CE2-CD2 4.36Å; F887-W895 AromaticContact CE2-CG 3.82Å; F887-W895 HydrophobicContact CE2-CG 3.82Å
888	R	87.4	Confident	88.1	Confident	31 Å²	31	38.7 Å²	38.7	12%	0.117	20%	0.198	C	C	.	.			trans	-137	170.3	178.9	-63.8	177	-170.5	176.8	10.9	109.3	H828 W829 W835 F879 Q885 T886 E890 T891 L892	H828-R888 PolarHBondContact CE1-NH2 2.93Å; H828-R888 PolarHBondContact ND1-NH2 2.78Å; W829-R888 PolarHBondContact O-NH2 2.71Å; W835-R888 HydrophobicContact CH2-CB 4.48Å; W835-R888 VanDerWaalsContact CH2-CD 3.48Å; F879-R888 CarbonylContact O-C 3.6Å; Q885-R888 PolarHBondContact O-NE 2.72Å; T886-R888 PolarHBondContact O-N 3.42Å; R888-E890 PolarHBondContact O-N 3.18Å; R888-E890 VanDerWaalsContact O-N 3.09Å; R888-T891 PolarHBondContact N-OG1 3.48Å; R888-T891 PolarHBondContact O-N 2.68Å; R888-T891 PolarHBondContact O-OG1 3.18Å; R888-L892 PolarHBondContact O-N 3.22Å
889	K	87.5	Confident	89.2	Confident	112 Å²	112	34.6 Å²	34.6	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.3	178.4	-175.5	175	179.8	-179.1	0	112.5	F879 L892 K946	F879-K889 HydrophobicContact CB-CB 4.33Å; F879-K889 PolarHBondContact O-N 2.83Å; K889-L892 WeakPolarHBondContact O-CB 3.47Å; K889-K946 PolarHBondContact O-NZ 2.96Å
890	E	87.4	Confident	90	Very high	84 Å²	84	32.4 Å²	32.4	39%	0.393	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-38.3	-179.5	-62.2	69.9	-145.3	0	0	112	W835 R888	W835-E890 HydrophobicContact CB-CB 4.38Å; W835-E890 HydrophobicContact CD2-CB 3.6Å; W835-E890 HydrophobicContact CD2-CG 3.71Å; W835-E890 HydrophobicContact CE3-CB 3.62Å; W835-E890 HydrophobicContact CE3-CG 4.19Å; W835-E890 HydrophobicContact CG-CB 3.97Å; W835-E890 HydrophobicContact CG-CG 3.97Å; W835-E890 HydrophobicContact CH2-CB 4.45Å; W835-E890 HydrophobicContact CH2-CG 4.49Å; W835-E890 HydrophobicContact CZ2-CB 4.44Å; W835-E890 HydrophobicContact CZ2-CG 4.06Å; W835-E890 HydrophobicContact CZ3-CB 4.08Å; R888-E890 PolarHBondContact O-N 3.18Å; R888-E890 VanDerWaalsContact O-N 3.09Å
891	T	89.3	Confident	90.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.5	-179.5	61.3	0	0	0	0	113.4	W835 F838 V842 T886 R888 H893 T894 W895	W835-T891 HydrophobicContact CE3-CG2 4.24Å; W835-T891 HydrophobicContact CZ3-CG2 4.15Å; F838-T891 HydrophobicContact CD1-CG2 3.67Å; F838-T891 HydrophobicContact CE1-CG2 3.89Å; V842-T891 HydrophobicContact CG2-CG2 4.37Å; T886-T891 PolarHBondContact O-OG1 2.85Å; R888-T891 PolarHBondContact N-OG1 3.48Å; R888-T891 PolarHBondContact O-N 2.68Å; R888-T891 PolarHBondContact O-OG1 3.18Å; T891-H893 PolarHBondContact O-N 3.41Å; T891-H893 VanDerWaalsContact O-N 3.1Å; T891-T894 WeakPolarHBondContact O-CA 3.48Å; T891-T894 WeakPolarHBondContact O-CB 3.47Å; T891-T894 PolarHBondContact O-N 2.7Å; T891-T894 PolarHBondContact O-OG1 2.8Å; T891-W895 VanDerWaalsContact O-CD1 3.31Å; T891-W895 PolarHBondContact O-N 3.32Å; T891-W895 VanDerWaalsContact O-N 3.15Å
892	L	91.7	Very high	90.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-45.9	-42.9	179	175.9	64.3	0	0	0	114	F879 F887 R888 K889 Y896 V944 I949	F879-L892 HydrophobicContact CD1-CD2 4.19Å; F887-L892 HydrophobicContact CE1-CD1 4.18Å; F887-L892 HydrophobicContact CE2-CD1 4.06Å; F887-L892 HydrophobicContact CZ-CD1 3.36Å; R888-L892 PolarHBondContact O-N 3.22Å; K889-L892 WeakPolarHBondContact O-CB 3.47Å; L892-Y896 VanDerWaalsContact O-CB 3.25Å; L892-Y896 WeakPolarHBondContact O-CB 3.35Å; L892-Y896 PolarHBondContact O-N 3.44Å; L892-V944 HydrophobicContact CD2-CB 4.5Å; L892-V944 HydrophobicContact CD2-CG1 3.66Å; L892-V944 HydrophobicContact CD2-CG2 4.1Å; L892-I949 HydrophobicContact CD2-CD1 3.8Å; L892-I949 HydrophobicContact CG-CD1 3.81Å
893	H	91.4	Very high	91.4	Very high	49 Å²	49	21.6 Å²	21.6	23%	0.227	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-44.2	178.8	171.5	66.7	0	0	0	112	T891 Y896 Q897 T948 I949 T952	T891-H893 PolarHBondContact O-N 3.41Å; T891-H893 VanDerWaalsContact O-N 3.1Å; H893-Y896 PolarHBondContact O-N 3.02Å; H893-Q897 PolarHBondContact NE2-OE1 3.23Å; H893-Q897 WeakPolarHBondContact O-CB 3.39Å; H893-Q897 PolarHBondContact O-N 3.37Å; H893-T948 PolarHBondContact CE1-O 3.27Å; H893-T948 PolarHBondContact ND1-O 3.17Å; H893-I949 HydrophobicContact CB-CG1 4.35Å; H893-T952 PolarHBondContact CE1-OG1 2.86Å
894	T	90.8	Very high	91.6	Very high	12 Å²	12	19.9 Å²	19.9	7%	0.074	9%	0.091	C	C	.	.	H	α-helix	trans	-58.7	-48.3	178.5	-48.3	0	0	0	0	111.3	S839 V842 S843 T891 Q897 F898	S839-T894 VanDerWaalsContact CB-OG1 3.31Å; S839-T894 WeakPolarHBondContact CB-OG1 3.35Å; S839-T894 WeakPolarHBondContact O-CG2 3.37Å; S839-T894 PolarHBondContact OG-OG1 3.24Å; V842-T894 HydrophobicContact CB-CG2 4.28Å; V842-T894 HydrophobicContact CG1-CG2 4.08Å; S843-T894 WeakPolarHBondContact OG-CG2 3.41Å; T891-T894 WeakPolarHBondContact O-CA 3.48Å; T891-T894 WeakPolarHBondContact O-CB 3.47Å; T891-T894 PolarHBondContact O-N 2.7Å; T891-T894 PolarHBondContact O-OG1 2.8Å; T894-Q897 PolarHBondContact O-N 3.15Å; T894-F898 WeakPolarHBondContact O-CB 3.43Å; T894-F898 PolarHBondContact O-N 2.76Å
895	W	93.8	Very high	91.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-47.8	177.3	-76.7	92.3	0	0	0	112.1	L825 V842 L846 L865 Y884 F887 T891 Q897 F898 L899	L825-W895 HydrophobicContact CD1-CH2 4.49Å; L825-W895 HydrophobicContact CD2-CZ2 4.29Å; V842-W895 HydrophobicContact CG1-CZ2 4.35Å; L846-W895 HydrophobicContact CD1-CD2 3.94Å; L846-W895 HydrophobicContact CD1-CE3 4.02Å; L846-W895 HydrophobicContact CD1-CG 4.38Å; L846-W895 HydrophobicContact CD1-CZ3 4.44Å; L846-W895 HydrophobicContact CD2-CD2 4.49Å; L846-W895 HydrophobicContact CD2-CE3 3.97Å; L846-W895 HydrophobicContact CD2-CH2 3.69Å; L846-W895 HydrophobicContact CD2-CZ2 4.22Å; L846-W895 HydrophobicContact CD2-CZ3 3.56Å; L865-W895 HydrophobicContact CD1-CH2 4.24Å; L865-W895 HydrophobicContact CD1-CZ3 3.64Å; L865-W895 HydrophobicContact CD2-CZ3 4.37Å; L865-W895 HydrophobicContact CG-CZ3 3.95Å; Y884-W895 AromaticContact CD1-CH2 3.96Å; Y884-W895 HydrophobicContact CD1-CH2 3.96Å; Y884-W895 HydrophobicContact CD2-CH2 4.31Å; Y884-W895 AromaticContact CG-CH2 3.83Å; Y884-W895 HydrophobicContact CG-CH2 3.83Å; F887-W895 HydrophobicContact CB-CZ2 4.35Å; F887-W895 HydrophobicContact CD2-CB 3.86Å; F887-W895 AromaticContact CD2-CD1 3.52Å; F887-W895 AromaticContact CD2-CD2 3.66Å; F887-W895 HydrophobicContact CD2-CD2 3.66Å; F887-W895 AromaticContact CD2-CE2 3.93Å; F887-W895 HydrophobicContact CD2-CE3 4.26Å; F887-W895 AromaticContact CD2-CG 3.43Å; F887-W895 HydrophobicContact CD2-CG 3.43Å; F887-W895 VanDerWaalsContact CD2-CG 3.43Å; F887-W895 AromaticContact CD2-NE1 3.83Å; F887-W895 HydrophobicContact CE2-CB 3.7Å; F887-W895 HydrophobicContact CE2-CD2 4.36Å; F887-W895 AromaticContact CE2-CG 3.82Å; F887-W895 HydrophobicContact CE2-CG 3.82Å; T891-W895 VanDerWaalsContact O-CD1 3.31Å; T891-W895 PolarHBondContact O-N 3.32Å; T891-W895 VanDerWaalsContact O-N 3.15Å; W895-Q897 VanDerWaalsContact C-N 3.32Å; W895-Q897 PolarHBondContact O-N 3.36Å; W895-F898 PolarHBondContact O-N 2.75Å; W895-L899 WeakPolarHBondContact O-CB 3.37Å; W895-L899 VanDerWaalsContact O-CG 3.3Å; W895-L899 WeakPolarHBondContact O-CG 3.44Å; W895-L899 PolarHBondContact O-N 3.09Å
896	Y	94.4	Very high	91.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.8	-45.3	177.4	179.8	-99.5	0	0	0	111.9	I870 L892 H893 L899 L900 L936 V940 L941 I949 T952 A953	I870-Y896 HydrophobicContact CD1-CD2 4.34Å; L892-Y896 VanDerWaalsContact O-CB 3.25Å; L892-Y896 WeakPolarHBondContact O-CB 3.35Å; L892-Y896 PolarHBondContact O-N 3.44Å; H893-Y896 PolarHBondContact O-N 3.02Å; Y896-L899 PolarHBondContact O-N 3.47Å; Y896-L900 HydrophobicContact CE1-CD2 3.92Å; Y896-L900 WeakPolarHBondContact O-CB 3.21Å; Y896-L900 PolarHBondContact O-N 3.04Å; Y896-L936 HydrophobicContact CD2-CD2 4.17Å; Y896-L936 HydrophobicContact CE2-CB 4.18Å; Y896-L936 HydrophobicContact CE2-CD2 4.19Å; Y896-L936 VanDerWaalsContact CE2-O 3.29Å; Y896-L936 WeakPolarHBondContact CE2-O 3.5Å; Y896-L936 PolarHBondContact OH-O 3.16Å; Y896-V940 HydrophobicContact CD2-CB 4.34Å; Y896-V940 HydrophobicContact CD2-CG1 3.75Å; Y896-V940 HydrophobicContact CD2-CG2 4.44Å; Y896-V940 HydrophobicContact CE2-CB 4Å; Y896-V940 HydrophobicContact CE2-CG1 3.78Å; Y896-V940 HydrophobicContact CE2-CG2 4.32Å; Y896-L941 WeakPolarHBondContact OH-CD2 3.09Å; Y896-I949 HydrophobicContact CD1-CB 4.47Å; Y896-I949 HydrophobicContact CD1-CG2 3.73Å; Y896-I949 HydrophobicContact CD2-CG2 4.47Å; Y896-I949 HydrophobicContact CE1-CG2 3.68Å; Y896-I949 HydrophobicContact CE2-CG2 4.43Å; Y896-I949 HydrophobicContact CG-CG2 4.12Å; Y896-T952 HydrophobicContact CD1-CG2 4.3Å; Y896-T952 HydrophobicContact CE1-CG2 4.33Å; Y896-A953 HydrophobicContact CE1-CB 4.23Å
897	Q	93.4	Very high	91.7	Very high	29 Å²	29	17 Å²	17	14%	0.136	8%	0.079	C	C	.	.	H	α-helix	trans	-64.5	-47.3	179.7	178.8	171	2	0	0	111.9	W685 H893 T894 W895 V901 T952	W685-Q897 HydrophobicContact CD2-CG 4.49Å; W685-Q897 VanDerWaalsContact CD2-NE2 3.34Å; W685-Q897 HydrophobicContact CZ2-CG 4.19Å; H893-Q897 PolarHBondContact NE2-OE1 3.23Å; H893-Q897 WeakPolarHBondContact O-CB 3.39Å; H893-Q897 PolarHBondContact O-N 3.37Å; T894-Q897 PolarHBondContact O-N 3.15Å; W895-Q897 VanDerWaalsContact C-N 3.32Å; W895-Q897 PolarHBondContact O-N 3.36Å; Q897-V901 HydrophobicContact CG-CG2 4.32Å; Q897-V901 WeakPolarHBondContact O-CB 3.45Å; Q897-V901 WeakPolarHBondContact O-CG2 3.43Å; Q897-V901 PolarHBondContact O-N 3.29Å; Q897-T952 HydrophobicContact CB-CG2 3.86Å; Q897-T952 HydrophobicContact CG-CG2 3.81Å
898	F	93.5	Very high	91.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-55.5	-54.8	174.6	171.6	-98.4	0	0	0	111	L846 L850 L862 L865 T894 W895 L900 V901 T902	L846-F898 HydrophobicContact CB-CD1 3.96Å; L846-F898 HydrophobicContact CB-CD2 3.76Å; L846-F898 HydrophobicContact CB-CE1 3.94Å; L846-F898 HydrophobicContact CB-CE2 3.73Å; L846-F898 HydrophobicContact CB-CG 3.87Å; L846-F898 HydrophobicContact CB-CZ 3.81Å; L846-F898 HydrophobicContact CD1-CB 3.99Å; L846-F898 HydrophobicContact CD1-CD1 3.89Å; L846-F898 HydrophobicContact CD1-CG 3.88Å; L846-F898 HydrophobicContact CD2-CD1 4.38Å; L846-F898 HydrophobicContact CD2-CE1 4.32Å; L846-F898 HydrophobicContact CG-CD1 4.31Å; L846-F898 HydrophobicContact CG-CG 4.44Å; L846-F898 WeakPolarHBondContact O-CE2 3.12Å; L846-F898 VanDerWaalsContact O-CZ 3.22Å; L846-F898 WeakPolarHBondContact O-CZ 3.45Å; L850-F898 HydrophobicContact CB-CE2 4.34Å; L850-F898 HydrophobicContact CB-CZ 4.03Å; L850-F898 HydrophobicContact CD2-CE2 4.31Å; L850-F898 HydrophobicContact CD2-CZ 4.44Å; L862-F898 HydrophobicContact CD2-CE1 4.34Å; L865-F898 HydrophobicContact CD2-CD1 4.29Å; L865-F898 HydrophobicContact CD2-CE1 3.66Å; T894-F898 WeakPolarHBondContact O-CB 3.43Å; T894-F898 PolarHBondContact O-N 2.76Å; W895-F898 PolarHBondContact O-N 2.75Å; F898-L900 PolarHBondContact O-N 2.96Å; F898-V901 PolarHBondContact O-N 3.13Å; F898-T902 WeakPolarHBondContact O-CB 3.26Å; F898-T902 PolarHBondContact O-N 2.86Å; F898-T902 PolarHBondContact O-OG1 2.87Å
899	L	95.3	Very high	91.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-60.1	-47.6	-176.9	-71.1	171.5	0	0	0	112.7	L862 L865 T866 I870 W895 Y896 L903 L936	L862-L899 HydrophobicContact CD2-CD2 3.89Å; L865-L899 HydrophobicContact CB-CD2 4.46Å; L865-L899 HydrophobicContact CD2-CD2 3.84Å; L865-L899 HydrophobicContact CG-CD2 4.26Å; T866-L899 HydrophobicContact CG2-CD1 4.37Å; T866-L899 WeakPolarHBondContact OG1-CD2 3.2Å; I870-L899 HydrophobicContact CD1-CD1 3.57Å; I870-L899 HydrophobicContact CG1-CD1 4.15Å; W895-L899 WeakPolarHBondContact O-CB 3.37Å; W895-L899 VanDerWaalsContact O-CG 3.3Å; W895-L899 WeakPolarHBondContact O-CG 3.44Å; W895-L899 PolarHBondContact O-N 3.09Å; Y896-L899 PolarHBondContact O-N 3.47Å; L899-L903 VanDerWaalsContact O-CB 3.24Å; L899-L903 WeakPolarHBondContact O-CB 3.17Å; L899-L903 PolarHBondContact O-N 3.25Å; L899-L936 HydrophobicContact CB-CD1 4.16Å; L899-L936 HydrophobicContact CB-CD2 4.17Å; L899-L936 HydrophobicContact CD1-CD2 4.36Å
900	L	95.1	Very high	91.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-44.1	-178.1	-177.8	61.9	0	0	0	111.4	Y896 F898 L903 C904 F933 L936 T952 V956	Y896-L900 HydrophobicContact CE1-CD2 3.92Å; Y896-L900 WeakPolarHBondContact O-CB 3.21Å; Y896-L900 PolarHBondContact O-N 3.04Å; F898-L900 PolarHBondContact O-N 2.96Å; L900-L903 PolarHBondContact O-N 3.27Å; L900-C904 PolarHBondContact O-N 3.12Å; L900-C904 PolarHBondContact O-SG 2.94Å; L900-F933 HydrophobicContact CD1-CD2 4.07Å; L900-F933 HydrophobicContact CD1-CE2 4.05Å; L900-L936 HydrophobicContact CB-CD1 4.23Å; L900-L936 HydrophobicContact CD1-CD1 4.2Å; L900-T952 HydrophobicContact CD2-CG2 4.45Å; L900-V956 HydrophobicContact CD2-CB 4.08Å; L900-V956 HydrophobicContact CD2-CG1 4.17Å; L900-V956 HydrophobicContact CG-CB 4.38Å; L900-V956 HydrophobicContact CG-CG1 3.91Å
901	V	93.2	Very high	91.5	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.036	10%	0.099	C	C	.	.	H	α-helix	trans	-72.6	-42.6	-177.2	-175.6	0	0	0	0	111.4	W685 Q897 F898 L903 C904 D905 V956	W685-V901 HydrophobicContact CE3-CG1 4.21Å; W685-V901 HydrophobicContact CE3-CG2 4.08Å; W685-V901 HydrophobicContact CH2-CB 3.28Å; W685-V901 HydrophobicContact CH2-CG1 3.34Å; W685-V901 HydrophobicContact CH2-CG2 3.51Å; W685-V901 HydrophobicContact CZ2-CB 4.3Å; W685-V901 HydrophobicContact CZ2-CG2 4.26Å; W685-V901 HydrophobicContact CZ3-CB 3.46Å; W685-V901 VanDerWaalsContact CZ3-CB 3.46Å; W685-V901 HydrophobicContact CZ3-CG1 3.06Å; W685-V901 HydrophobicContact CZ3-CG2 3.43Å; W685-V901 VanDerWaalsContact CZ3-CG2 3.43Å; Q897-V901 HydrophobicContact CG-CG2 4.32Å; Q897-V901 WeakPolarHBondContact O-CB 3.45Å; Q897-V901 WeakPolarHBondContact O-CG2 3.43Å; Q897-V901 PolarHBondContact O-N 3.29Å; F898-V901 PolarHBondContact O-N 3.13Å; V901-L903 PolarHBondContact O-N 3.13Å; V901-C904 WeakPolarHBondContact O-CB 3.39Å; V901-C904 PolarHBondContact O-N 3.15Å; V901-D905 PolarHBondContact O-N 2.99Å; V901-V956 HydrophobicContact CB-CG1 4.25Å; V901-V956 HydrophobicContact CG2-CB 4.31Å; V901-V956 HydrophobicContact CG2-CG1 3.65Å; V901-V956 HydrophobicContact CG2-CG2 3.74Å
902	T	92	Very high	91.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-39	176.2	-55.7	0	0	0	0	111.1	L850 L862 F898 D905 D906	L850-T902 HydrophobicContact CD1-CG2 3.65Å; L850-T902 HydrophobicContact CD2-CG2 3.44Å; L850-T902 VanDerWaalsContact CD2-CG2 3.44Å; L850-T902 HydrophobicContact CG-CG2 4.19Å; L862-T902 HydrophobicContact CD1-CG2 3.97Å; L862-T902 HydrophobicContact CD2-CG2 4.05Å; L862-T902 HydrophobicContact CG-CG2 4.48Å; F898-T902 WeakPolarHBondContact O-CB 3.26Å; F898-T902 PolarHBondContact O-N 2.86Å; F898-T902 PolarHBondContact O-OG1 2.87Å; T902-D905 PolarHBondContact O-N 3.23Å; T902-D906 PolarHBondContact O-N 2.71Å
903	L	95.2	Very high	90.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-40.8	173.7	-177.8	65.8	0	0	0	112.6	L859 L899 L900 V901 A907 L932 F933 L936 Y960	L859-L903 HydrophobicContact CD2-CD1 3.75Å; L899-L903 VanDerWaalsContact O-CB 3.24Å; L899-L903 WeakPolarHBondContact O-CB 3.17Å; L899-L903 PolarHBondContact O-N 3.25Å; L900-L903 PolarHBondContact O-N 3.27Å; V901-L903 PolarHBondContact O-N 3.13Å; L903-A907 WeakPolarHBondContact O-CB 3.47Å; L903-A907 PolarHBondContact O-N 2.99Å; L903-L932 HydrophobicContact CD1-CB 4.11Å; L903-L932 HydrophobicContact CD1-CD1 4.11Å; L903-L932 HydrophobicContact CD2-CB 3.81Å; L903-F933 HydrophobicContact CD2-CB 3.84Å; L903-F933 HydrophobicContact CD2-CD2 4.36Å; L903-L936 HydrophobicContact CD2-CD1 4.03Å; L903-Y960 HydrophobicContact CD1-CE2 4.27Å; L903-Y960 HydrophobicContact CD2-CD2 4.48Å; L903-Y960 HydrophobicContact CD2-CE2 4.16Å; L903-Y960 HydrophobicContact CG-CD2 4.12Å; L903-Y960 HydrophobicContact CG-CE2 3.81Å
904	C	93.2	Very high	90	Very high	3 Å²	3	32 Å²	32	2%	0.02	14%	0.135	C	C	.	.	H	α-helix	trans	-64.3	-40.8	175.9	-66.6	0	0	0	0	112.1	L900 V901 A907 R908 V956	L900-C904 PolarHBondContact O-N 3.12Å; L900-C904 PolarHBondContact O-SG 2.94Å; V901-C904 WeakPolarHBondContact O-CB 3.39Å; V901-C904 PolarHBondContact O-N 3.15Å; C904-A907 PolarHBondContact O-N 3.12Å; C904-R908 WeakPolarHBondContact O-CG 3.39Å; C904-R908 PolarHBondContact O-N 3.27Å; C904-V956 HydrophobicContact CB-CG1 4.2Å; C904-V956 WeakPolarHBondContact SG-CG1 3.33Å
905	D	89	Confident	89.3	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-70.5	-40.3	179.3	-168.9	63.7	0	0	0	112.5	Q682 V901 T902 A907 R908 K909	Q682-D905 VanDerWaalsContact NE2-CB 3.34Å; Q682-D905 VanDerWaalsContact NE2-CG 3.25Å; Q682-D905 PolarHBondContact NE2-OD2 2.94Å; V901-D905 PolarHBondContact O-N 2.99Å; T902-D905 PolarHBondContact O-N 3.23Å; D905-A907 VanDerWaalsContact C-N 3.31Å; D905-A907 PolarHBondContact O-N 2.86Å; D905-R908 PolarHBondContact O-N 3.37Å; D905-R908 IonicContact OD1-CZ 3.48Å; D905-R908 IonicContact OD1-NE 2.95Å; D905-R908 IonicContact OD1-NH2 3.09Å; D905-R908 PolarHBondContact OD1-NH2 3.22Å; D905-K909 WeakPolarHBondContact O-CG 3.24Å; D905-K909 PolarHBondContact O-N 2.88Å; D905-K909 IonicContact OD1-NZ 3.99Å; D905-K909 WeakPolarHBondContact OD2-CD 3.32Å; D905-K909 WeakPolarHBondContact OD2-CE 3.29Å; D905-K909 IonicContact OD2-NZ 2.79Å; D905-K909 PolarHBondContact OD2-NZ 3.34Å
906	D	91.1	Very high	88.6	Confident	14 Å²	14	40.2 Å²	40.2	8%	0.075	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-44.7	170.6	179.1	73.1	0	0	0	110.8	L859 T902 R908 K909 A910 R913	L859-D906 WeakPolarHBondContact CD1-OD2 3.25Å; L859-D906 WeakPolarHBondContact CD2-OD2 3.05Å; L859-D906 VanDerWaalsContact CG-OD2 3.32Å; L859-D906 WeakPolarHBondContact CG-OD2 3.37Å; T902-D906 PolarHBondContact O-N 2.71Å; D906-R908 VanDerWaalsContact C-N 3.35Å; D906-R908 PolarHBondContact O-N 3.24Å; D906-K909 CarbonylContact O-C 3.59Å; D906-K909 PolarHBondContact O-N 2.92Å; D906-K909 VanDerWaalsContact O-N 3.14Å; D906-A910 PolarHBondContact O-N 3.34Å; D906-R913 IonicContact OD1-CZ 3Å; D906-R913 IonicContact OD1-NE 3.54Å; D906-R913 IonicContact OD1-NH2 3Å; D906-R913 PolarHBondContact OD1-NH2 3.28Å; D906-R913 IonicContact OD2-NH2 2.71Å; D906-R913 PolarHBondContact OD2-NH2 3.45Å
907	A	91.9	Very high	88.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-39.6	176.7	0	0	0	0	0	113	L903 C904 D905 K909 A910 W926 Y960 A963	L903-A907 WeakPolarHBondContact O-CB 3.47Å; L903-A907 PolarHBondContact O-N 2.99Å; C904-A907 PolarHBondContact O-N 3.12Å; D905-A907 VanDerWaalsContact C-N 3.31Å; D905-A907 PolarHBondContact O-N 2.86Å; A907-K909 VanDerWaalsContact C-N 3.33Å; A907-K909 PolarHBondContact O-N 2.92Å; A907-A910 WeakPolarHBondContact O-CB 3.29Å; A907-A910 PolarHBondContact O-N 3.44Å; A907-W926 HydrophobicContact CB-CH2 4.31Å; A907-W926 HydrophobicContact CB-CZ3 4.27Å; A907-Y960 HydrophobicContact CB-CD2 3.71Å; A907-Y960 HydrophobicContact CB-CE2 3.69Å; A907-A963 HydrophobicContact CB-CB 4.01Å
908	R	90.6	Very high	87.6	Confident	129 Å²	129	44.1 Å²	44.1	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-34.9	175.2	-74.4	-171.9	-59.5	-177.1	2.6	112.8	C904 D905 D906 T959 A963	C904-R908 WeakPolarHBondContact O-CG 3.39Å; C904-R908 PolarHBondContact O-N 3.27Å; D905-R908 PolarHBondContact O-N 3.37Å; D905-R908 IonicContact OD1-CZ 3.48Å; D905-R908 IonicContact OD1-NE 2.95Å; D905-R908 IonicContact OD1-NH2 3.09Å; D905-R908 PolarHBondContact OD1-NH2 3.22Å; D906-R908 VanDerWaalsContact C-N 3.35Å; D906-R908 PolarHBondContact O-N 3.24Å; R908-T959 HydrophobicContact CG-CG2 4.24Å; R908-A963 HydrophobicContact CG-CB 4.01Å
909	K	88.3	Confident	87.1	Confident	93 Å²	93	46.8 Å²	46.8	40%	0.404	24%	0.241	S	C	.	.	H	α-helix	trans	-88.1	-9.5	-179.4	-68.4	172.2	178.7	168.4	0	113.2	D905 D906 A907 E911 R912 R913	D905-K909 WeakPolarHBondContact O-CG 3.24Å; D905-K909 PolarHBondContact O-N 2.88Å; D905-K909 IonicContact OD1-NZ 3.99Å; D905-K909 WeakPolarHBondContact OD2-CD 3.32Å; D905-K909 WeakPolarHBondContact OD2-CE 3.29Å; D905-K909 IonicContact OD2-NZ 2.79Å; D905-K909 PolarHBondContact OD2-NZ 3.34Å; D906-K909 CarbonylContact O-C 3.59Å; D906-K909 PolarHBondContact O-N 2.92Å; D906-K909 VanDerWaalsContact O-N 3.14Å; A907-K909 VanDerWaalsContact C-N 3.33Å; A907-K909 PolarHBondContact O-N 2.92Å; K909-E911 VanDerWaalsContact C-N 3.32Å; K909-E911 PolarHBondContact O-N 3.41Å; K909-R912 PolarHBondContact O-N 3.18Å; K909-R913 PolarHBondContact O-N 3.39Å
910	A	86.4	Confident	86.5	Confident	2 Å²	2	53.6 Å²	53.6	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-54.3	-43.1	-173.6	0	0	0	0	0	113	D906 A907 R912 R913 L914 W926	D906-A910 PolarHBondContact O-N 3.34Å; A907-A910 WeakPolarHBondContact O-CB 3.29Å; A907-A910 PolarHBondContact O-N 3.44Å; A910-R912 VanDerWaalsContact C-N 3.32Å; A910-R912 PolarHBondContact O-N 2.83Å; A910-R913 PolarHBondContact O-N 2.86Å; A910-L914 HydrophobicContact CB-CD1 4.09Å; A910-L914 WeakPolarHBondContact O-CB 3.48Å; A910-L914 WeakPolarHBondContact O-CG 3.2Å; A910-L914 PolarHBondContact O-N 3.03Å; A910-W926 HydrophobicContact CB-CH2 4.14Å; A910-W926 HydrophobicContact CB-CZ2 3.76Å
911	E	82.7	Confident	86	Confident	110 Å²	110	58.2 Å²	58.2	51%	0.514	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-40.9	-176.3	-171.6	167.9	175.6	0	0	113.4	K909 S915 S967	K909-E911 VanDerWaalsContact C-N 3.32Å; K909-E911 PolarHBondContact O-N 3.41Å; E911-S915 PolarHBondContact O-N 3.02Å; E911-S967 PolarHBondContact OE2-OG 2.88Å
912	R	81.5	Confident	85.7	Confident	212 Å²	212	59.8 Å²	59.8	80%	0.8	30%	0.3	S	S	*	.	H	α-helix	trans	-66.5	-46.6	177.9	-63.6	-178.6	-170.6	161.7	2.4	111.2	K909 A910 S915	K909-R912 PolarHBondContact O-N 3.18Å; A910-R912 VanDerWaalsContact C-N 3.32Å; A910-R912 PolarHBondContact O-N 2.83Å; R912-S915 PolarHBondContact O-N 3.48Å; R912-S915 PolarHBondContact O-OG 2.97Å
913	R	77.3	Confident	85.4	Confident	42 Å²	42	60.5 Å²	60.5	16%	0.158	30%	0.303	C	S	.	.	H	α-helix	trans	-67.8	-38.1	-178.7	-177.8	168.1	60.6	81.1	-7	112.6	D906 K909 A910 S915	D906-R913 IonicContact OD1-CZ 3Å; D906-R913 IonicContact OD1-NE 3.54Å; D906-R913 IonicContact OD1-NH2 3Å; D906-R913 PolarHBondContact OD1-NH2 3.28Å; D906-R913 IonicContact OD2-NH2 2.71Å; D906-R913 PolarHBondContact OD2-NH2 3.45Å; K909-R913 PolarHBondContact O-N 3.39Å; A910-R913 PolarHBondContact O-N 2.86Å; R913-S915 VanDerWaalsContact C-N 3.32Å; R913-S915 PolarHBondContact O-N 3.48Å
914	L	80.3	Confident	85.1	Confident	5 Å²	5	65 Å²	65	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-77.5	-16.3	-176.8	-71.3	-179.6	0	0	0	113.1	A910 A916 L917 K922 V925 W926	A910-L914 HydrophobicContact CB-CD1 4.09Å; A910-L914 WeakPolarHBondContact O-CB 3.48Å; A910-L914 WeakPolarHBondContact O-CG 3.2Å; A910-L914 PolarHBondContact O-N 3.03Å; L914-A916 PolarHBondContact O-N 3.43Å; L914-A916 VanDerWaalsContact O-N 3.12Å; L914-L917 HydrophobicContact CD2-CD1 3.7Å; L914-L917 PolarHBondContact O-N 2.88Å; L914-K922 HydrophobicContact CB-CG 4.12Å; L914-K922 HydrophobicContact CD2-CG 4.15Å; L914-K922 HydrophobicContact CG-CG 4.48Å; L914-K922 WeakPolarHBondContact O-CE 3.42Å; L914-V925 HydrophobicContact CD1-CG1 4.49Å; L914-V925 HydrophobicContact CD2-CB 3.93Å; L914-V925 HydrophobicContact CD2-CG1 3.88Å; L914-V925 HydrophobicContact CD2-CG2 3.95Å; L914-W926 VanDerWaalsContact CD1-NE1 3.35Å
915	S	78.1	Confident	84.9	Confident	88 Å²	88	66 Å²	66	62%	0.615	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.3	-174.7	60.6	0	0	0	0	113.9	E911 R912 R913	E911-S915 PolarHBondContact O-N 3.02Å; R912-S915 PolarHBondContact O-N 3.48Å; R912-S915 PolarHBondContact O-OG 2.97Å; R913-S915 VanDerWaalsContact C-N 3.32Å; R913-S915 PolarHBondContact O-N 3.48Å
916	A	78.4	Confident	85.1	Confident	95 Å²	95	66 Å²	66	79%	0.785	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.8	-178.9	0	0	0	0	0	115.3	L914	L914-A916 PolarHBondContact O-N 3.43Å; L914-A916 VanDerWaalsContact O-N 3.12Å
917	L	83.3	Confident	85.1	Confident	53 Å²	53	66.9 Å²	66.9	28%	0.277	35%	0.345	S	S	.	.	S	Bend	trans	-90.2	154.8	-173.8	-64.5	178.4	0	0	0	112.7	L914 E921 K922	L914-L917 HydrophobicContact CD2-CD1 3.7Å; L914-L917 PolarHBondContact O-N 2.88Å; L917-E921 HydrophobicContact CB-CB 4.06Å; L917-E921 HydrophobicContact CD1-CB 4.42Å; L917-K922 HydrophobicContact CB-CG 4.29Å; L917-K922 WeakPolarHBondContact O-CE 3.28Å; L917-K922 PolarHBondContact O-NZ 3.26Å; L917-K922 VanDerWaalsContact O-NZ 3.15Å
918	S	83.8	Confident	85.2	Confident	59 Å²	59	67.9 Å²	67.9	41%	0.413	35%	0.35	S	S	.	.			trans	-63.4	157.3	172.3	67.9	0	0	0	0	111.4	Q920 E921 K922	S918-Q920 VanDerWaalsContact C-N 3.27Å; S918-Q920 PolarHBondContact O-N 2.96Å; S918-E921 WeakPolarHBondContact CB-OE2 3.35Å; S918-E921 PolarHBondContact N-OE2 3.49Å; S918-E921 PolarHBondContact O-N 3.47Å; S918-E921 WeakPolarHBondContact OG-CG 3.38Å; S918-E921 PolarHBondContact OG-N 3.31Å; S918-E921 PolarHBondContact OG-OE2 3.41Å; S918-K922 WeakPolarHBondContact O-CG 3.4Å; S918-K922 PolarHBondContact O-N 2.85Å
919	T	81.6	Confident	85.4	Confident	58 Å²	58	61.8 Å²	61.8	36%	0.356	33%	0.328	S	S	.	.	H	α-helix	trans	-53.2	-45.9	176.8	-60	0	0	0	0	111.7	E921 K922 F923 N975 L979	T919-E921 PolarHBondContact O-N 3.49Å; T919-K922 WeakPolarHBondContact O-CB 3.3Å; T919-K922 PolarHBondContact O-N 2.98Å; T919-F923 HydrophobicContact CG2-CD2 3.93Å; T919-F923 HydrophobicContact CG2-CE2 3.79Å; T919-F923 VanDerWaalsContact O-CD2 3.29Å; T919-F923 WeakPolarHBondContact O-CD2 3.29Å; T919-F923 PolarHBondContact O-N 3.24Å; T919-F923 VanDerWaalsContact O-N 3.1Å; T919-N975 HydrophobicContact CG2-CB 4.32Å; T919-N975 VanDerWaalsContact CG2-CG 3.44Å; T919-N975 WeakPolarHBondContact CG2-ND2 3.43Å; T919-N975 WeakPolarHBondContact CG2-OD1 3.24Å; T919-L979 HydrophobicContact CG2-CD1 4.13Å
920	Q	82.6	Confident	85.8	Confident	144 Å²	144	57.5 Å²	57.5	67%	0.673	31%	0.309	S	S	*	.	H	α-helix	trans	-63.6	-40.8	-178.7	-169	175.6	-2.2	0	0	112.5	S918 K922 F923 V924	S918-Q920 VanDerWaalsContact C-N 3.27Å; S918-Q920 PolarHBondContact O-N 2.96Å; Q920-K922 PolarHBondContact O-N 2.79Å; Q920-F923 WeakPolarHBondContact O-CB 3.45Å; Q920-F923 PolarHBondContact O-N 2.81Å; Q920-V924 WeakPolarHBondContact O-CG2 3.15Å; Q920-V924 PolarHBondContact O-N 3.45Å; Q920-V924 VanDerWaalsContact O-N 3.1Å
921	E	85.6	Confident	86.2	Confident	97 Å²	97	63.4 Å²	63.4	45%	0.453	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-39.7	175.6	-71.3	165.7	137.2	0	0	111.9	L917 S918 T919 F923 V924 V925	L917-E921 HydrophobicContact CB-CB 4.06Å; L917-E921 HydrophobicContact CD1-CB 4.42Å; S918-E921 WeakPolarHBondContact CB-OE2 3.35Å; S918-E921 PolarHBondContact N-OE2 3.49Å; S918-E921 PolarHBondContact O-N 3.47Å; S918-E921 WeakPolarHBondContact OG-CG 3.38Å; S918-E921 PolarHBondContact OG-N 3.31Å; S918-E921 PolarHBondContact OG-OE2 3.41Å; T919-E921 PolarHBondContact O-N 3.49Å; E921-F923 VanDerWaalsContact C-N 3.28Å; E921-F923 PolarHBondContact O-N 3.42Å; E921-V924 PolarHBondContact O-N 2.96Å; E921-V925 WeakPolarHBondContact O-CG2 3.34Å; E921-V925 PolarHBondContact O-N 3.24Å
922	K	86.9	Confident	86.9	Confident	39 Å²	39	58.5 Å²	58.5	17%	0.17	31%	0.309	C	S	.	.	H	α-helix	trans	-57.9	-42.7	174	-66.4	170.5	174.3	158	0	111.4	L914 L917 S918 T919 Q920 V925 W926 L971	L914-K922 HydrophobicContact CB-CG 4.12Å; L914-K922 HydrophobicContact CD2-CG 4.15Å; L914-K922 HydrophobicContact CG-CG 4.48Å; L914-K922 WeakPolarHBondContact O-CE 3.42Å; L917-K922 HydrophobicContact CB-CG 4.29Å; L917-K922 WeakPolarHBondContact O-CE 3.28Å; L917-K922 PolarHBondContact O-NZ 3.26Å; L917-K922 VanDerWaalsContact O-NZ 3.15Å; S918-K922 WeakPolarHBondContact O-CG 3.4Å; S918-K922 PolarHBondContact O-N 2.85Å; T919-K922 WeakPolarHBondContact O-CB 3.3Å; T919-K922 PolarHBondContact O-N 2.98Å; Q920-K922 PolarHBondContact O-N 2.79Å; K922-V925 PolarHBondContact O-N 3.36Å; K922-W926 PolarHBondContact O-N 3.16Å; K922-W926 VanDerWaalsContact O-N 3.08Å; K922-L971 HydrophobicContact CB-CD1 4.21Å; K922-L971 HydrophobicContact CD-CD1 4.34Å; K922-L971 HydrophobicContact CD-CD2 3.95Å
923	F	85.8	Confident	87.7	Confident	17 Å²	17	48.4 Å²	48.4	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-43.7	176.3	-90.1	-83.8	0	0	0	112.4	T919 Q920 E921 V925 W926 A927 L972 N975 L979 H982 V983 I986	T919-F923 HydrophobicContact CG2-CD2 3.93Å; T919-F923 HydrophobicContact CG2-CE2 3.79Å; T919-F923 VanDerWaalsContact O-CD2 3.29Å; T919-F923 WeakPolarHBondContact O-CD2 3.29Å; T919-F923 PolarHBondContact O-N 3.24Å; T919-F923 VanDerWaalsContact O-N 3.1Å; Q920-F923 WeakPolarHBondContact O-CB 3.45Å; Q920-F923 PolarHBondContact O-N 2.81Å; E921-F923 VanDerWaalsContact C-N 3.28Å; E921-F923 PolarHBondContact O-N 3.42Å; F923-V925 VanDerWaalsContact C-N 3.34Å; F923-V925 PolarHBondContact O-N 3.16Å; F923-W926 PolarHBondContact O-N 3.39Å; F923-A927 VanDerWaalsContact O-CB 3.24Å; F923-A927 WeakPolarHBondContact O-CB 3.15Å; F923-A927 PolarHBondContact O-N 3.49Å; F923-L972 HydrophobicContact CD1-CD2 4.23Å; F923-L972 HydrophobicContact CE1-CD2 3.39Å; F923-L972 HydrophobicContact CZ-CD2 3.95Å; F923-N975 HydrophobicContact CE2-CB 3.92Å; F923-N975 HydrophobicContact CZ-CB 4.09Å; F923-L979 HydrophobicContact CD2-CD1 3.76Å; F923-L979 HydrophobicContact CE2-CD1 3.38Å; F923-L979 HydrophobicContact CZ-CB 4.28Å; F923-L979 HydrophobicContact CZ-CD1 3.93Å; F923-H982 HydrophobicContact CD1-CB 4.3Å; F923-V983 HydrophobicContact CE1-CG2 3.76Å; F923-V983 HydrophobicContact CZ-CG2 4.02Å; F923-I986 HydrophobicContact CD1-CD1 4.01Å
924	V	87.9	Confident	88.6	Confident	95 Å²	95	50.4 Å²	50.4	58%	0.576	28%	0.278	S	S	*	.	H	α-helix	trans	-61.7	-43	178.4	173.4	0	0	0	0	111.2	Q920 E921 A927 L928	Q920-V924 WeakPolarHBondContact O-CG2 3.15Å; Q920-V924 PolarHBondContact O-N 3.45Å; Q920-V924 VanDerWaalsContact O-N 3.1Å; E921-V924 PolarHBondContact O-N 2.96Å; V924-A927 PolarHBondContact O-N 2.97Å; V924-L928 WeakPolarHBondContact O-CB 3.36Å; V924-L928 PolarHBondContact O-N 3.23Å
925	V	89.7	Confident	89.3	Confident	24 Å²	24	52 Å²	52	15%	0.145	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-48.9	177.5	171	0	0	0	0	111.2	L859 L914 E921 K922 F923 L928 S929	L859-V925 HydrophobicContact CD1-CG1 3.65Å; L914-V925 HydrophobicContact CD1-CG1 4.49Å; L914-V925 HydrophobicContact CD2-CB 3.93Å; L914-V925 HydrophobicContact CD2-CG1 3.88Å; L914-V925 HydrophobicContact CD2-CG2 3.95Å; E921-V925 WeakPolarHBondContact O-CG2 3.34Å; E921-V925 PolarHBondContact O-N 3.24Å; K922-V925 PolarHBondContact O-N 3.36Å; F923-V925 VanDerWaalsContact C-N 3.34Å; F923-V925 PolarHBondContact O-N 3.16Å; V925-L928 PolarHBondContact O-N 2.69Å; V925-S929 WeakPolarHBondContact O-CB 3.34Å; V925-S929 PolarHBondContact O-N 3.26Å
926	W	92.2	Very high	90.1	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.038	26%	0.256	C	S	.	.	H	α-helix	trans	-67.1	-38.1	178	-81.3	113.8	0	0	0	112.9	A907 A910 L914 K922 F923 L928 S929 V930 F964 A968	A907-W926 HydrophobicContact CB-CH2 4.31Å; A907-W926 HydrophobicContact CB-CZ3 4.27Å; A910-W926 HydrophobicContact CB-CH2 4.14Å; A910-W926 HydrophobicContact CB-CZ2 3.76Å; L914-W926 VanDerWaalsContact CD1-NE1 3.35Å; K922-W926 PolarHBondContact O-N 3.16Å; K922-W926 VanDerWaalsContact O-N 3.08Å; F923-W926 PolarHBondContact O-N 3.39Å; W926-L928 VanDerWaalsContact C-N 3.32Å; W926-L928 PolarHBondContact O-N 2.85Å; W926-S929 PolarHBondContact O-N 3.47Å; W926-V930 WeakPolarHBondContact O-CB 3.4Å; W926-V930 VanDerWaalsContact O-CG2 3.32Å; W926-V930 WeakPolarHBondContact O-CG2 3.42Å; W926-V930 PolarHBondContact O-N 3.01Å; W926-F964 AromaticContact CE3-CD2 3.66Å; W926-F964 HydrophobicContact CE3-CD2 3.66Å; W926-F964 HydrophobicContact CE3-CE2 4.11Å; W926-F964 HydrophobicContact CZ3-CB 4.24Å; W926-F964 AromaticContact CZ3-CD2 3.74Å; W926-F964 HydrophobicContact CZ3-CD2 3.74Å; W926-F964 HydrophobicContact CZ3-CG 4.44Å; W926-A968 HydrophobicContact CD2-CB 3.56Å; W926-A968 HydrophobicContact CE3-CB 3.83Å; W926-A968 HydrophobicContact CG-CB 4.08Å; W926-A968 HydrophobicContact CH2-CB 4.1Å; W926-A968 HydrophobicContact CZ2-CB 3.85Å; W926-A968 HydrophobicContact CZ3-CB 4.08Å
927	A	91.7	Very high	90.8	Very high	33 Å²	33	43.3 Å²	43.3	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-61.3	-42	176.4	0	0	0	0	0	111.7	F923 V924 R931 I986	F923-A927 VanDerWaalsContact O-CB 3.24Å; F923-A927 WeakPolarHBondContact O-CB 3.15Å; F923-A927 PolarHBondContact O-N 3.49Å; V924-A927 PolarHBondContact O-N 2.97Å; A927-R931 WeakPolarHBondContact O-CB 3.07Å; A927-R931 PolarHBondContact O-N 2.95Å; A927-I986 HydrophobicContact CB-CD1 4.09Å; A927-I986 HydrophobicContact CB-CG1 4.25Å
928	L	93.9	Very high	91.2	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-47.7	174.8	178.7	56.4	0	0	0	111.4	L859 K860 E863 V924 V925 W926 V930 R931 L932	L859-L928 HydrophobicContact CB-CD2 3.7Å; L859-L928 HydrophobicContact CB-CG 4.23Å; K860-L928 HydrophobicContact CG-CD2 4.27Å; E863-L928 HydrophobicContact CB-CD1 4.12Å; E863-L928 HydrophobicContact CG-CD1 4.13Å; E863-L928 VanDerWaalsContact OE1-CD1 3.29Å; E863-L928 WeakPolarHBondContact OE1-CD1 3.36Å; E863-L928 VanDerWaalsContact OE2-CD1 3.29Å; E863-L928 WeakPolarHBondContact OE2-CD1 3.23Å; V924-L928 WeakPolarHBondContact O-CB 3.36Å; V924-L928 PolarHBondContact O-N 3.23Å; V925-L928 PolarHBondContact O-N 2.69Å; W926-L928 VanDerWaalsContact C-N 3.32Å; W926-L928 PolarHBondContact O-N 2.85Å; L928-V930 PolarHBondContact O-N 3.21Å; L928-R931 WeakPolarHBondContact O-CB 3.22Å; L928-R931 PolarHBondContact O-N 3.38Å; L928-R931 VanDerWaalsContact O-N 3.16Å; L928-L932 WeakPolarHBondContact O-CG 3.37Å; L928-L932 PolarHBondContact O-N 3.38Å
929	S	95.3	Very high	91.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-56.4	-48	177.6	-175.3	0	0	0	0	112	V925 W926 R931 L932 F933 Y960	V925-S929 WeakPolarHBondContact O-CB 3.34Å; V925-S929 PolarHBondContact O-N 3.26Å; W926-S929 PolarHBondContact O-N 3.47Å; S929-R931 VanDerWaalsContact C-N 3.32Å; S929-R931 PolarHBondContact O-N 3.1Å; S929-L932 PolarHBondContact O-N 2.63Å; S929-F933 PolarHBondContact O-N 3.36Å; S929-Y960 WeakPolarHBondContact CB-OH 3.45Å; S929-Y960 PolarHBondContact O-OH 3.02Å; S929-Y960 WeakPolarHBondContact OG-CE2 3.16Å; S929-Y960 PolarHBondContact OG-OH 3.42Å
930	V	96.2	Very high	91.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-35	178.9	169.3	0	0	0	0	111.5	W926 L928 F933 R934 Y960 F964 I986 A989 M990	W926-V930 WeakPolarHBondContact O-CB 3.4Å; W926-V930 VanDerWaalsContact O-CG2 3.32Å; W926-V930 WeakPolarHBondContact O-CG2 3.42Å; W926-V930 PolarHBondContact O-N 3.01Å; L928-V930 PolarHBondContact O-N 3.21Å; V930-F933 PolarHBondContact O-N 3.5Å; V930-R934 VanDerWaalsContact O-CB 3.22Å; V930-R934 WeakPolarHBondContact O-CB 3.25Å; V930-R934 PolarHBondContact O-N 2.81Å; V930-Y960 WeakPolarHBondContact CA-OH 3.33Å; V930-Y960 PolarHBondContact N-OH 2.91Å; V930-F964 HydrophobicContact CG2-CD2 3.75Å; V930-F964 HydrophobicContact CG2-CE2 3.41Å; V930-F964 VanDerWaalsContact CG2-CE2 3.41Å; V930-F964 HydrophobicContact CG2-CZ 4.35Å; V930-I986 HydrophobicContact CB-CG2 4.46Å; V930-I986 HydrophobicContact CG1-CG2 4.44Å; V930-I986 HydrophobicContact CG2-CG2 4.02Å; V930-A989 HydrophobicContact CG1-CB 3.53Å; V930-M990 HydrophobicContact CB-SD 4.41Å; V930-M990 HydrophobicContact CG1-CG 3.81Å; V930-M990 HydrophobicContact CG1-SD 3.92Å; V930-M990 HydrophobicContact CG2-CG 3.92Å; V930-M990 HydrophobicContact CG2-SD 3.79Å
931	R	95.9	Very high	92.2	Very high	126 Å²	126	31.5 Å²	31.5	48%	0.475	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-44.7	175	-174.2	-170.3	-57.8	159.5	0.1	111.4	E863 A927 L928 S929 R934 F935	E863-R931 IonicContact OE1-CZ 3.86Å; E863-R931 IonicContact OE1-NH1 3.32Å; E863-R931 PolarHBondContact OE1-NH1 2.86Å; A927-R931 WeakPolarHBondContact O-CB 3.07Å; A927-R931 PolarHBondContact O-N 2.95Å; L928-R931 WeakPolarHBondContact O-CB 3.22Å; L928-R931 PolarHBondContact O-N 3.38Å; L928-R931 VanDerWaalsContact O-N 3.16Å; S929-R931 VanDerWaalsContact C-N 3.32Å; S929-R931 PolarHBondContact O-N 3.1Å; R931-R934 PolarHBondContact O-N 2.84Å; R931-F935 PolarHBondContact O-N 3.48Å
932	L	97	Very high	92.2	Very high	8 Å²	8	29 Å²	29	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-45.3	176.4	-64.5	175.1	0	0	0	111.3	L859 L862 E863 L903 L928 S929 R934 F935 L936	L859-L932 HydrophobicContact CD2-CD1 4.14Å; L862-L932 HydrophobicContact CB-CD1 4Å; E863-L932 HydrophobicContact CB-CD1 4.45Å; E863-L932 HydrophobicContact CB-CD2 3.85Å; E863-L932 HydrophobicContact CG-CD2 4.09Å; L903-L932 HydrophobicContact CD1-CB 4.11Å; L903-L932 HydrophobicContact CD1-CD1 4.11Å; L903-L932 HydrophobicContact CD2-CB 3.81Å; L928-L932 WeakPolarHBondContact O-CG 3.37Å; L928-L932 PolarHBondContact O-N 3.38Å; S929-L932 PolarHBondContact O-N 2.63Å; L932-R934 VanDerWaalsContact C-N 3.31Å; L932-R934 PolarHBondContact O-N 2.72Å; L932-F935 PolarHBondContact O-N 3.27Å; L932-F935 VanDerWaalsContact O-N 3.16Å; L932-L936 WeakPolarHBondContact O-CG 3.45Å; L932-L936 PolarHBondContact O-N 3.15Å
933	F	97.8	Very high	92.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-42	177.7	-174.2	-112.4	0	0	0	111.8	L900 L903 S929 V930 F935 L936 T937 A957 Y960 V961 M990 L997	L900-F933 HydrophobicContact CD1-CD2 4.07Å; L900-F933 HydrophobicContact CD1-CE2 4.05Å; L903-F933 HydrophobicContact CD2-CB 3.84Å; L903-F933 HydrophobicContact CD2-CD2 4.36Å; S929-F933 PolarHBondContact O-N 3.36Å; V930-F933 PolarHBondContact O-N 3.5Å; F933-F935 PolarHBondContact O-N 3.33Å; F933-L936 PolarHBondContact O-N 3.45Å; F933-T937 HydrophobicContact CD1-CG2 4.43Å; F933-T937 HydrophobicContact CD2-CG2 4.34Å; F933-T937 HydrophobicContact CE1-CG2 4.1Å; F933-T937 HydrophobicContact CE2-CG2 4Å; F933-T937 HydrophobicContact CZ-CG2 3.88Å; F933-T937 WeakPolarHBondContact O-CB 3.25Å; F933-T937 WeakPolarHBondContact O-CG2 3.18Å; F933-T937 PolarHBondContact O-N 3.44Å; F933-T937 PolarHBondContact O-OG1 3.49Å; F933-A957 HydrophobicContact CE2-CB 4Å; F933-A957 HydrophobicContact CZ-CB 4.08Å; F933-Y960 HydrophobicContact CB-CD1 4.09Å; F933-Y960 HydrophobicContact CB-CE1 3.6Å; F933-Y960 HydrophobicContact CB-CE2 4.17Å; F933-Y960 AromaticContact CD1-CD1 3.52Å; F933-Y960 HydrophobicContact CD1-CD1 3.52Å; F933-Y960 AromaticContact CD1-CE1 3.52Å; F933-Y960 HydrophobicContact CD1-CE1 3.52Å; F933-Y960 HydrophobicContact CD1-CG 4.44Å; F933-Y960 AromaticContact CD2-CD1 3.48Å; F933-Y960 HydrophobicContact CD2-CD1 3.48Å; F933-Y960 VanDerWaalsContact CD2-CD1 3.48Å; F933-Y960 HydrophobicContact CD2-CD2 4.06Å; F933-Y960 AromaticContact CD2-CE1 3.92Å; F933-Y960 HydrophobicContact CD2-CE1 3.92Å; F933-Y960 HydrophobicContact CD2-CE2 4.44Å; F933-Y960 AromaticContact CD2-CG 3.57Å; F933-Y960 HydrophobicContact CD2-CG 3.57Å; F933-Y960 AromaticContact CE1-CD1 3.66Å; F933-Y960 HydrophobicContact CE1-CD1 3.66Å; F933-Y960 HydrophobicContact CE1-CE1 4.1Å; F933-Y960 AromaticContact CE2-CD1 3.63Å; F933-Y960 HydrophobicContact CE2-CD1 3.63Å; F933-Y960 HydrophobicContact CE2-CE1 4.46Å; F933-Y960 AromaticContact CE2-CG 3.69Å; F933-Y960 HydrophobicContact CE2-CG 3.69Å; F933-Y960 AromaticContact CG-CD1 3.41Å; F933-Y960 HydrophobicContact CG-CD1 3.41Å; F933-Y960 VanDerWaalsContact CG-CD1 3.41Å; F933-Y960 HydrophobicContact CG-CD2 4.42Å; F933-Y960 AromaticContact CG-CE1 3.39Å; F933-Y960 HydrophobicContact CG-CE1 3.39Å; F933-Y960 HydrophobicContact CG-CE2 4.41Å; F933-Y960 AromaticContact CG-CG 3.96Å; F933-Y960 HydrophobicContact CG-CG 3.96Å; F933-Y960 AromaticContact CG-CZ 3.93Å; F933-Y960 AromaticContact CZ-CD1 3.7Å; F933-Y960 HydrophobicContact CZ-CD1 3.7Å; F933-Y960 HydrophobicContact CZ-CG 4.17Å; F933-V961 HydrophobicContact CE1-CG2 4.2Å; F933-V961 HydrophobicContact CZ-CG2 4.03Å; F933-M990 HydrophobicContact CD1-CE 4.47Å; F933-M990 HydrophobicContact CD1-SD 4.05Å; F933-M990 HydrophobicContact CE1-CE 4.34Å; F933-M990 HydrophobicContact CE1-SD 4.47Å; F933-L997 HydrophobicContact CE1-CD1 4.44Å; F933-L997 HydrophobicContact CZ-CD1 3.99Å
934	R	95.9	Very high	91.9	Very high	84 Å²	84	31.7 Å²	31.7	32%	0.317	16%	0.162	S	C	.	.	H	α-helix	trans	-62	-42.3	174.6	-172.8	-171.7	68.4	86.9	2.8	111.6	V930 R931 L932 T937 C938 S993	V930-R934 VanDerWaalsContact O-CB 3.22Å; V930-R934 WeakPolarHBondContact O-CB 3.25Å; V930-R934 PolarHBondContact O-N 2.81Å; R931-R934 PolarHBondContact O-N 2.84Å; L932-R934 VanDerWaalsContact C-N 3.31Å; L932-R934 PolarHBondContact O-N 2.72Å; R934-T937 WeakPolarHBondContact CA-OG1 3.23Å; R934-T937 PolarHBondContact O-N 3.05Å; R934-T937 PolarHBondContact O-OG1 3.3Å; R934-C938 HydrophobicContact CG-CB 4.29Å; R934-C938 WeakPolarHBondContact O-CA 3.12Å; R934-C938 WeakPolarHBondContact O-CB 3.23Å; R934-C938 PolarHBondContact O-N 3.19Å; R934-S993 VanDerWaalsContact CA-OG 3.3Å; R934-S993 WeakPolarHBondContact CA-OG 3.33Å
935	F	95.3	Very high	91.2	Very high	37 Å²	37	30.8 Å²	30.8	16%	0.162	15%	0.151	C	C	.	.	I	π-helix	trans	-62.3	-50.4	175.9	178.5	-90.2	0	0	0	111.3	T866 I870 L874 R931 L932 F933 T937 S939 V940	T866-F935 HydrophobicContact CG2-CD1 3.33Å; T866-F935 HydrophobicContact CG2-CE1 3.37Å; T866-F935 HydrophobicContact CG2-CG 4.31Å; T866-F935 HydrophobicContact CG2-CZ 4.37Å; I870-F935 HydrophobicContact CB-CE1 4.2Å; I870-F935 HydrophobicContact CG2-CE1 3.84Å; I870-F935 HydrophobicContact CG2-CZ 4.17Å; L874-F935 HydrophobicContact CD1-CZ 3.94Å; R931-F935 PolarHBondContact O-N 3.48Å; L932-F935 PolarHBondContact O-N 3.27Å; L932-F935 VanDerWaalsContact O-N 3.16Å; F933-F935 PolarHBondContact O-N 3.33Å; F935-T937 PolarHBondContact O-N 3.35Å; F935-S939 WeakPolarHBondContact O-CA 3.34Å; F935-S939 VanDerWaalsContact O-CB 3.23Å; F935-S939 WeakPolarHBondContact O-CB 3.5Å; F935-S939 PolarHBondContact O-N 3.03Å; F935-V940 HydrophobicContact CD1-CG2 4.43Å; F935-V940 HydrophobicContact CE1-CG2 4.15Å; F935-V940 PolarHBondContact O-N 3.45Å
936	L	95.7	Very high	90.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.159	C	C	.	.	I	π-helix	trans	-64.8	-24.8	-179.7	-67.2	174.5	0	0	0	113.5	T866 I870 Y896 L899 L900 L903 L932 F933 V940	T866-L936 HydrophobicContact CG2-CD2 4.36Å; I870-L936 HydrophobicContact CD1-CD2 4.26Å; Y896-L936 HydrophobicContact CD2-CD2 4.17Å; Y896-L936 HydrophobicContact CE2-CB 4.18Å; Y896-L936 HydrophobicContact CE2-CD2 4.19Å; Y896-L936 VanDerWaalsContact CE2-O 3.29Å; Y896-L936 WeakPolarHBondContact CE2-O 3.5Å; Y896-L936 PolarHBondContact OH-O 3.16Å; L899-L936 HydrophobicContact CB-CD1 4.16Å; L899-L936 HydrophobicContact CB-CD2 4.17Å; L899-L936 HydrophobicContact CD1-CD2 4.36Å; L900-L936 HydrophobicContact CB-CD1 4.23Å; L900-L936 HydrophobicContact CD1-CD1 4.2Å; L903-L936 HydrophobicContact CD2-CD1 4.03Å; L932-L936 WeakPolarHBondContact O-CG 3.45Å; L932-L936 PolarHBondContact O-N 3.15Å; F933-L936 PolarHBondContact O-N 3.45Å; L936-V940 HydrophobicContact CD2-CG2 4.43Å; L936-V940 WeakPolarHBondContact O-CB 3.37Å
937	T	93.6	Very high	90.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-91.9	-61.9	175.3	52.6	0	0	0	0	111.4	F933 R934 F935 L941 P942 S993 L997	F933-T937 HydrophobicContact CD1-CG2 4.43Å; F933-T937 HydrophobicContact CD2-CG2 4.34Å; F933-T937 HydrophobicContact CE1-CG2 4.1Å; F933-T937 HydrophobicContact CE2-CG2 4Å; F933-T937 HydrophobicContact CZ-CG2 3.88Å; F933-T937 WeakPolarHBondContact O-CB 3.25Å; F933-T937 WeakPolarHBondContact O-CG2 3.18Å; F933-T937 PolarHBondContact O-N 3.44Å; F933-T937 PolarHBondContact O-OG1 3.49Å; R934-T937 WeakPolarHBondContact CA-OG1 3.23Å; R934-T937 PolarHBondContact O-N 3.05Å; R934-T937 PolarHBondContact O-OG1 3.3Å; F935-T937 PolarHBondContact O-N 3.35Å; T937-L941 HydrophobicContact CG2-CD1 4.45Å; T937-L941 VanDerWaalsContact O-CB 3.23Å; T937-L941 WeakPolarHBondContact O-CB 3.26Å; T937-L941 WeakPolarHBondContact O-CG 3.47Å; T937-L941 PolarHBondContact O-N 2.85Å; T937-P942 WeakPolarHBondContact O-CD 3.31Å; T937-S993 WeakPolarHBondContact OG1-CB 3.27Å; T937-S993 PolarHBondContact OG1-OG 3.49Å; T937-L997 HydrophobicContact CG2-CD2 4.19Å; T937-L997 HydrophobicContact CG2-CG 4.33Å
938	C	91.9	Very high	90.2	Very high	29 Å²	29	36.2 Å²	36.2	20%	0.196	18%	0.179	C	C	.	.	I	π-helix	trans	-78.2	-28.5	-169	-57.5	0	0	0	0	114.1	R934 P942 Q992 T996	R934-C938 HydrophobicContact CG-CB 4.29Å; R934-C938 WeakPolarHBondContact O-CA 3.12Å; R934-C938 WeakPolarHBondContact O-CB 3.23Å; R934-C938 PolarHBondContact O-N 3.19Å; C938-P942 VanDerWaalsContact O-CD 3.32Å; C938-P942 WeakPolarHBondContact O-CD 3.27Å; C938-P942 VanDerWaalsContact O-CG 3.29Å; C938-P942 WeakPolarHBondContact O-CG 3.2Å; C938-Q992 VanDerWaalsContact SG-C 3.56Å; C938-T996 PolarHBondContact SG-OG1 3.1Å
939	S	89.1	Confident	90	Very high	38 Å²	38	35.3 Å²	35.3	27%	0.266	17%	0.174	S	C	.	.	I	π-helix	trans	-92.9	-39	179.5	-54.3	0	0	0	0	111.9	F935	F935-S939 WeakPolarHBondContact O-CA 3.34Å; F935-S939 VanDerWaalsContact O-CB 3.23Å; F935-S939 WeakPolarHBondContact O-CB 3.5Å; F935-S939 PolarHBondContact O-N 3.03Å
940	V	90.2	Very high	89.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-83.4	-51.9	-174.8	-173.4	0	0	0	0	112.3	I870 L874 Y896 F935 L936 K943 V944	I870-V940 HydrophobicContact CG2-CG2 3.72Å; L874-V940 HydrophobicContact CD1-CG2 4.06Å; Y896-V940 HydrophobicContact CD2-CB 4.34Å; Y896-V940 HydrophobicContact CD2-CG1 3.75Å; Y896-V940 HydrophobicContact CD2-CG2 4.44Å; Y896-V940 HydrophobicContact CE2-CB 4Å; Y896-V940 HydrophobicContact CE2-CG1 3.78Å; Y896-V940 HydrophobicContact CE2-CG2 4.32Å; F935-V940 HydrophobicContact CD1-CG2 4.43Å; F935-V940 HydrophobicContact CE1-CG2 4.15Å; F935-V940 PolarHBondContact O-N 3.45Å; L936-V940 HydrophobicContact CD2-CG2 4.43Å; L936-V940 WeakPolarHBondContact O-CB 3.37Å; V940-K943 PolarHBondContact O-N 3.46Å; V940-K943 VanDerWaalsContact O-N 3.15Å; V940-V944 HydrophobicContact CG1-CB 4.5Å; V940-V944 HydrophobicContact CG1-CG2 4.08Å; V940-V944 PolarHBondContact O-N 2.79Å
941	L	89.7	Confident	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-40.5	-171	-59.9	174.6	0	0	0	113.9	Y896 T937 K943 I949 L950 A953 T996 L997 M1000 L1053	Y896-L941 WeakPolarHBondContact OH-CD2 3.09Å; T937-L941 HydrophobicContact CG2-CD1 4.45Å; T937-L941 VanDerWaalsContact O-CB 3.23Å; T937-L941 WeakPolarHBondContact O-CB 3.26Å; T937-L941 WeakPolarHBondContact O-CG 3.47Å; T937-L941 PolarHBondContact O-N 2.85Å; L941-K943 VanDerWaalsContact C-N 3.3Å; L941-K943 PolarHBondContact O-N 2.85Å; L941-I949 HydrophobicContact CD2-CG2 4Å; L941-L950 HydrophobicContact CD2-CD2 4.35Å; L941-A953 HydrophobicContact CD1-CB 4.27Å; L941-A953 HydrophobicContact CD2-CB 3.77Å; L941-T996 HydrophobicContact CB-CG2 4.42Å; L941-T996 HydrophobicContact CD1-CG2 4.4Å; L941-L997 HydrophobicContact CD1-CD2 4.15Å; L941-M1000 HydrophobicContact CD1-SD 4.05Å; L941-L1053 HydrophobicContact CB-CD1 4.31Å; L941-L1053 HydrophobicContact CB-CD2 4.37Å
942	P	85.4	Confident	89.1	Confident	43 Å²	43	34.1 Å²	34.1	28%	0.279	17%	0.17	S	C	.	.	H	α-helix	trans	-68	-28.5	176.5	-24.5	38.2	0	0	0	113.5	T937 C938 H945 T996	T937-P942 WeakPolarHBondContact O-CD 3.31Å; C938-P942 VanDerWaalsContact O-CD 3.32Å; C938-P942 WeakPolarHBondContact O-CD 3.27Å; C938-P942 VanDerWaalsContact O-CG 3.29Å; C938-P942 WeakPolarHBondContact O-CG 3.2Å; P942-H945 PolarHBondContact O-CE1 2.88Å; P942-H945 PolarHBondContact O-NE2 3.5Å; P942-T996 HydrophobicContact CG-CG2 4.25Å
943	K	83.1	Confident	88.9	Confident	109 Å²	109	33.7 Å²	33.7	47%	0.474	17%	0.168	S	C	.	.	H	α-helix	trans	-86.9	-28.3	179.4	-72.9	-171.4	168.3	-160.6	0	112.9	L874 V940 L941	L874-K943 HydrophobicContact CD2-CB 4.13Å; L874-K943 HydrophobicContact CD2-CD 3.83Å; L874-K943 PolarHBondContact O-NZ 3.42Å; V940-K943 PolarHBondContact O-N 3.46Å; V940-K943 VanDerWaalsContact O-N 3.15Å; L941-K943 VanDerWaalsContact C-N 3.3Å; L941-K943 PolarHBondContact O-N 2.85Å
944	V	82.6	Confident	88.5	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.03	17%	0.169	C	C	.	.			trans	-119.1	100.4	-174.5	-161.6	0	0	0	0	112.1	L874 F879 L892 V940 K946 I949	L874-V944 HydrophobicContact CD2-CG2 4.42Å; F879-V944 HydrophobicContact CE1-CG2 3.66Å; F879-V944 HydrophobicContact CZ-CG2 4.25Å; L892-V944 HydrophobicContact CD2-CB 4.5Å; L892-V944 HydrophobicContact CD2-CG1 3.66Å; L892-V944 HydrophobicContact CD2-CG2 4.1Å; V940-V944 HydrophobicContact CG1-CB 4.5Å; V940-V944 HydrophobicContact CG1-CG2 4.08Å; V940-V944 PolarHBondContact O-N 2.79Å; V944-K946 VanDerWaalsContact C-N 3.31Å; V944-K946 HydrophobicContact CG1-CB 4.21Å; V944-K946 HydrophobicContact CG1-CD 4.28Å; V944-K946 HydrophobicContact CG1-CG 3.95Å; V944-K946 PolarHBondContact O-N 3.35Å; V944-I949 HydrophobicContact CB-CD1 4.01Å; V944-I949 HydrophobicContact CG1-CD1 3.37Å
945	H	73.9	Confident	88.3	Confident	75 Å²	75	34.7 Å²	34.7	35%	0.347	18%	0.175	S	C	.	.			trans	-90.3	22.8	-179	-55.4	-48.2	0	0	0	114.4	P942 S947 K1054	P942-H945 PolarHBondContact O-CE1 2.88Å; P942-H945 PolarHBondContact O-NE2 3.5Å; H945-S947 PolarHBondContact O-N 3.25Å; H945-K1054 WeakPolarHBondContact NE2-CE 3.31Å
946	K	83.2	Confident	88.1	Confident	72 Å²	72	33.8 Å²	33.8	31%	0.313	17%	0.172	S	C	.	.			trans	-71	129.3	178.7	-69.5	-173.8	177.4	-170.9	0	110.6	K889 V944 T948 I949 L950	K889-K946 PolarHBondContact O-NZ 2.96Å; V944-K946 VanDerWaalsContact C-N 3.31Å; V944-K946 HydrophobicContact CG1-CB 4.21Å; V944-K946 HydrophobicContact CG1-CD 4.28Å; V944-K946 HydrophobicContact CG1-CG 3.95Å; V944-K946 PolarHBondContact O-N 3.35Å; K946-T948 PolarHBondContact O-N 2.82Å; K946-I949 HydrophobicContact CB-CD1 4.27Å; K946-I949 HydrophobicContact CB-CG1 4.32Å; K946-I949 PolarHBondContact O-N 2.81Å; K946-L950 PolarHBondContact O-N 3.16Å
947	S	84.2	Confident	88.1	Confident	53 Å²	53	33.7 Å²	33.7	37%	0.371	17%	0.172	S	C	.	.	H	α-helix	trans	-54.1	-37.7	-179.5	173.8	0	0	0	0	113	H945 I949 L950 R951	H945-S947 PolarHBondContact O-N 3.25Å; S947-I949 VanDerWaalsContact C-N 3.34Å; S947-I949 PolarHBondContact O-N 3.43Å; S947-L950 PolarHBondContact O-N 3.41Å; S947-R951 WeakPolarHBondContact O-CB 3.34Å; S947-R951 PolarHBondContact O-N 3.43Å
948	T	85.4	Confident	88.1	Confident	57 Å²	57	34.3 Å²	34.3	35%	0.35	18%	0.176	S	C	.	.	H	α-helix	trans	-62.4	-37.5	177.6	53.2	0	0	0	0	113.2	H893 K946 T952	H893-T948 PolarHBondContact CE1-O 3.27Å; H893-T948 PolarHBondContact ND1-O 3.17Å; K946-T948 PolarHBondContact O-N 2.82Å; T948-T952 PolarHBondContact O-N 3.37Å; T948-T952 VanDerWaalsContact O-N 3.14Å; T948-T952 PolarHBondContact O-OG1 3.11Å
949	I	89.2	Confident	88.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-72.3	-43.3	177.7	-65.6	179.1	0	0	0	110.5	L892 H893 Y896 L941 V944 K946 S947 R951 T952 A953	L892-I949 HydrophobicContact CD2-CD1 3.8Å; L892-I949 HydrophobicContact CG-CD1 3.81Å; H893-I949 HydrophobicContact CB-CG1 4.35Å; Y896-I949 HydrophobicContact CD1-CB 4.47Å; Y896-I949 HydrophobicContact CD1-CG2 3.73Å; Y896-I949 HydrophobicContact CD2-CG2 4.47Å; Y896-I949 HydrophobicContact CE1-CG2 3.68Å; Y896-I949 HydrophobicContact CE2-CG2 4.43Å; Y896-I949 HydrophobicContact CG-CG2 4.12Å; L941-I949 HydrophobicContact CD2-CG2 4Å; V944-I949 HydrophobicContact CB-CD1 4.01Å; V944-I949 HydrophobicContact CG1-CD1 3.37Å; K946-I949 HydrophobicContact CB-CD1 4.27Å; K946-I949 HydrophobicContact CB-CG1 4.32Å; K946-I949 PolarHBondContact O-N 2.81Å; S947-I949 VanDerWaalsContact C-N 3.34Å; S947-I949 PolarHBondContact O-N 3.43Å; I949-R951 VanDerWaalsContact C-N 3.28Å; I949-R951 PolarHBondContact O-N 3.41Å; I949-T952 PolarHBondContact O-N 3.46Å; I949-A953 WeakPolarHBondContact O-CB 3.46Å; I949-A953 PolarHBondContact O-N 3.04Å
950	L	89.7	Confident	88.6	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-40.2	175.1	-60.6	178.9	0	0	0	111.3	L941 K946 S947 A953 I954 M1000 L1004 L1053	L941-L950 HydrophobicContact CD2-CD2 4.35Å; K946-L950 PolarHBondContact O-N 3.16Å; S947-L950 PolarHBondContact O-N 3.41Å; L950-A953 PolarHBondContact O-N 2.75Å; L950-I954 WeakPolarHBondContact O-CG2 3.25Å; L950-I954 PolarHBondContact O-N 2.89Å; L950-M1000 HydrophobicContact CD2-CG 4.06Å; L950-M1000 HydrophobicContact CD2-SD 4.18Å; L950-L1004 HydrophobicContact CB-CD2 4.27Å; L950-L1004 HydrophobicContact CD1-CD2 4.21Å; L950-L1053 HydrophobicContact CD2-CD1 3.83Å
951	R	88.2	Confident	88.9	Confident	91 Å²	91	33.5 Å²	33.5	34%	0.343	17%	0.168	S	C	.	.	H	α-helix	trans	-59.6	-45.4	174.7	-177.2	173.6	-76.7	150.5	-1	112.2	S947 I949 I954 K955 T1011 L1012	S947-R951 WeakPolarHBondContact O-CB 3.34Å; S947-R951 PolarHBondContact O-N 3.43Å; I949-R951 VanDerWaalsContact C-N 3.28Å; I949-R951 PolarHBondContact O-N 3.41Å; R951-I954 WeakPolarHBondContact O-CG2 3.26Å; R951-K955 HydrophobicContact CG-CD 4.35Å; R951-K955 WeakPolarHBondContact O-CB 3.4Å; R951-K955 VanDerWaalsContact O-CG 3.32Å; R951-K955 WeakPolarHBondContact O-CG 3.46Å; R951-K955 PolarHBondContact O-N 3.05Å; R951-T1011 PolarHBondContact NH2-OG1 3.48Å; R951-T1011 VanDerWaalsContact NH2-OG1 3.13Å; R951-L1012 HydrophobicContact CB-CD1 4.43Å; R951-L1012 HydrophobicContact CB-CD2 3.6Å; R951-L1012 HydrophobicContact CG-CD2 3.55Å
952	T	89.7	Confident	89.1	Confident	10 Å²	10	35.5 Å²	35.5	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-45.7	177	-64.1	0	0	0	0	111.2	H893 Y896 Q897 L900 T948 I949 I954 K955 V956	H893-T952 PolarHBondContact CE1-OG1 2.86Å; Y896-T952 HydrophobicContact CD1-CG2 4.3Å; Y896-T952 HydrophobicContact CE1-CG2 4.33Å; Q897-T952 HydrophobicContact CB-CG2 3.86Å; Q897-T952 HydrophobicContact CG-CG2 3.81Å; L900-T952 HydrophobicContact CD2-CG2 4.45Å; T948-T952 PolarHBondContact O-N 3.37Å; T948-T952 VanDerWaalsContact O-N 3.14Å; T948-T952 PolarHBondContact O-OG1 3.11Å; I949-T952 PolarHBondContact O-N 3.46Å; T952-I954 PolarHBondContact O-N 2.83Å; T952-K955 PolarHBondContact O-N 2.86Å; T952-V956 HydrophobicContact CG2-CG2 4.16Å; T952-V956 VanDerWaalsContact O-CB 3.28Å; T952-V956 WeakPolarHBondContact O-CB 3.42Å; T952-V956 VanDerWaalsContact O-CG2 3.31Å; T952-V956 WeakPolarHBondContact O-CG2 3.41Å; T952-V956 PolarHBondContact O-N 3.37Å
953	A	92.8	Very high	89.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-48.7	-179.6	0	0	0	0	0	112	Y896 L941 I949 L950 K955 V956 A957 M1000	Y896-A953 HydrophobicContact CE1-CB 4.23Å; L941-A953 HydrophobicContact CD1-CB 4.27Å; L941-A953 HydrophobicContact CD2-CB 3.77Å; I949-A953 WeakPolarHBondContact O-CB 3.46Å; I949-A953 PolarHBondContact O-N 3.04Å; L950-A953 PolarHBondContact O-N 2.75Å; A953-K955 VanDerWaalsContact C-N 3.33Å; A953-K955 PolarHBondContact O-N 2.88Å; A953-V956 PolarHBondContact O-N 2.97Å; A953-A957 WeakPolarHBondContact O-CB 3.12Å; A953-A957 PolarHBondContact O-N 3.2Å; A953-M1000 HydrophobicContact CB-CE 4.3Å; A953-M1000 HydrophobicContact CB-SD 3.75Å
954	I	90.7	Very high	90	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-67.3	-32.2	-178.6	-164.6	164	0	0	0	113.3	L950 R951 T952 P958 M1000 L1004 F1015 V1016 C1019	L950-I954 WeakPolarHBondContact O-CG2 3.25Å; L950-I954 PolarHBondContact O-N 2.89Å; R951-I954 WeakPolarHBondContact O-CG2 3.26Å; T952-I954 PolarHBondContact O-N 2.83Å; I954-P958 VanDerWaalsContact O-CD 3.3Å; I954-P958 WeakPolarHBondContact O-CD 3.06Å; I954-P958 WeakPolarHBondContact O-CG 3.5Å; I954-M1000 HydrophobicContact CB-CE 3.84Å; I954-M1000 HydrophobicContact CG1-CE 4.23Å; I954-L1004 HydrophobicContact CB-CD1 4.26Å; I954-L1004 HydrophobicContact CD1-CD1 3.39Å; I954-L1004 HydrophobicContact CG1-CD1 4.37Å; I954-F1015 HydrophobicContact CD1-CB 3.98Å; I954-F1015 HydrophobicContact CG1-CB 3.85Å; I954-F1015 HydrophobicContact CG2-CB 4.16Å; I954-V1016 HydrophobicContact CD1-CB 4.39Å; I954-V1016 HydrophobicContact CD1-CG2 3.58Å; I954-C1019 HydrophobicContact CG1-CB 4.22Å
955	K	89.8	Confident	90.5	Very high	102 Å²	102	28.6 Å²	28.6	44%	0.443	15%	0.148	S	C	.	.	H	α-helix	trans	-75.6	-39.2	177.4	-75.2	-177.7	174.9	-170.8	0	112.6	R951 T952 A953 F1015	R951-K955 HydrophobicContact CG-CD 4.35Å; R951-K955 WeakPolarHBondContact O-CB 3.4Å; R951-K955 VanDerWaalsContact O-CG 3.32Å; R951-K955 WeakPolarHBondContact O-CG 3.46Å; R951-K955 PolarHBondContact O-N 3.05Å; T952-K955 PolarHBondContact O-N 2.86Å; A953-K955 VanDerWaalsContact C-N 3.33Å; A953-K955 PolarHBondContact O-N 2.88Å; K955-F1015 HydrophobicContact CD-CZ 4.39Å; K955-F1015 VanDerWaalsContact CE-CE2 3.45Å; K955-F1015 HydrophobicContact CG-CD1 4.24Å; K955-F1015 HydrophobicContact CG-CD2 4.36Å; K955-F1015 HydrophobicContact CG-CE1 4.23Å; K955-F1015 HydrophobicContact CG-CE2 4.35Å; K955-F1015 HydrophobicContact CG-CG 4.32Å; K955-F1015 HydrophobicContact CG-CZ 4.3Å
956	V	92	Very high	91.2	Very high	17 Å²	17	28.7 Å²	28.7	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-101.2	-43.3	-165.3	178.1	0	0	0	0	112.2	L900 V901 C904 T952 A953 P958 T959	L900-V956 HydrophobicContact CD2-CB 4.08Å; L900-V956 HydrophobicContact CD2-CG1 4.17Å; L900-V956 HydrophobicContact CG-CB 4.38Å; L900-V956 HydrophobicContact CG-CG1 3.91Å; V901-V956 HydrophobicContact CB-CG1 4.25Å; V901-V956 HydrophobicContact CG2-CB 4.31Å; V901-V956 HydrophobicContact CG2-CG1 3.65Å; V901-V956 HydrophobicContact CG2-CG2 3.74Å; C904-V956 HydrophobicContact CB-CG1 4.2Å; C904-V956 WeakPolarHBondContact SG-CG1 3.33Å; T952-V956 HydrophobicContact CG2-CG2 4.16Å; T952-V956 VanDerWaalsContact O-CB 3.28Å; T952-V956 WeakPolarHBondContact O-CB 3.42Å; T952-V956 VanDerWaalsContact O-CG2 3.31Å; T952-V956 WeakPolarHBondContact O-CG2 3.41Å; T952-V956 PolarHBondContact O-N 3.37Å; A953-V956 PolarHBondContact O-N 2.97Å; V956-P958 VanDerWaalsContact C-N 3.35Å; V956-T959 WeakPolarHBondContact O-CB 3.21Å; V956-T959 PolarHBondContact O-N 3.17Å; V956-T959 PolarHBondContact O-OG1 2.7Å
957	A	95.3	Very high	91.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57	-35.3	-174.7	0	0	0	0	0	114.9	F933 A953 T959 Y960 V961 L997	F933-A957 HydrophobicContact CE2-CB 4Å; F933-A957 HydrophobicContact CZ-CB 4.08Å; A953-A957 WeakPolarHBondContact O-CB 3.12Å; A953-A957 PolarHBondContact O-N 3.2Å; A957-T959 PolarHBondContact O-N 3.36Å; A957-Y960 WeakPolarHBondContact O-CB 3.45Å; A957-Y960 PolarHBondContact O-N 3.35Å; A957-Y960 VanDerWaalsContact O-N 3.14Å; A957-V961 PolarHBondContact O-N 3.42Å; A957-L997 HydrophobicContact CB-CD1 3.99Å; A957-L997 HydrophobicContact CB-CD2 3.86Å
958	P	95	Very high	91.6	Very high	12 Å²	12	23.4 Å²	23.4	8%	0.078	12%	0.123	C	C	.	.	H	α-helix	trans	-57	-36.7	173.7	-26.2	35.9	0	0	0	112.8	I954 V956 Y960 V961 T962 C1019 T1022	I954-P958 VanDerWaalsContact O-CD 3.3Å; I954-P958 WeakPolarHBondContact O-CD 3.06Å; I954-P958 WeakPolarHBondContact O-CG 3.5Å; V956-P958 VanDerWaalsContact C-N 3.35Å; P958-Y960 VanDerWaalsContact C-N 3.29Å; P958-Y960 PolarHBondContact O-N 3Å; P958-V961 PolarHBondContact O-N 3.32Å; P958-V961 VanDerWaalsContact O-N 3.1Å; P958-T962 PolarHBondContact O-N 2.89Å; P958-T962 PolarHBondContact O-OG1 2.79Å; P958-C1019 HydrophobicContact CG-CB 3.92Å; P958-T1022 HydrophobicContact CB-CG2 4.23Å; P958-T1022 WeakPolarHBondContact O-CG2 3.48Å
959	T	93.5	Very high	91.6	Very high	50 Å²	50	20.7 Å²	20.7	31%	0.307	11%	0.107	S	C	.	.	H	α-helix	trans	-61	-38.7	178.5	-50	0	0	0	0	111.7	R908 V956 A957 A963	R908-T959 HydrophobicContact CG-CG2 4.24Å; V956-T959 WeakPolarHBondContact O-CB 3.21Å; V956-T959 PolarHBondContact O-N 3.17Å; V956-T959 PolarHBondContact O-OG1 2.7Å; A957-T959 PolarHBondContact O-N 3.36Å; T959-A963 WeakPolarHBondContact O-CB 3.26Å; T959-A963 PolarHBondContact O-N 3.49Å
960	Y	96.7	Very high	91.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-47.7	173.5	-174.6	-91.5	0	0	0	111.5	L903 A907 S929 V930 F933 A957 P958 T962 A963 F964 M990	L903-Y960 HydrophobicContact CD1-CE2 4.27Å; L903-Y960 HydrophobicContact CD2-CD2 4.48Å; L903-Y960 HydrophobicContact CD2-CE2 4.16Å; L903-Y960 HydrophobicContact CG-CD2 4.12Å; L903-Y960 HydrophobicContact CG-CE2 3.81Å; A907-Y960 HydrophobicContact CB-CD2 3.71Å; A907-Y960 HydrophobicContact CB-CE2 3.69Å; S929-Y960 WeakPolarHBondContact CB-OH 3.45Å; S929-Y960 PolarHBondContact O-OH 3.02Å; S929-Y960 WeakPolarHBondContact OG-CE2 3.16Å; S929-Y960 PolarHBondContact OG-OH 3.42Å; V930-Y960 WeakPolarHBondContact CA-OH 3.33Å; V930-Y960 PolarHBondContact N-OH 2.91Å; F933-Y960 HydrophobicContact CB-CD1 4.09Å; F933-Y960 HydrophobicContact CB-CE1 3.6Å; F933-Y960 HydrophobicContact CB-CE2 4.17Å; F933-Y960 AromaticContact CD1-CD1 3.52Å; F933-Y960 HydrophobicContact CD1-CD1 3.52Å; F933-Y960 AromaticContact CD1-CE1 3.52Å; F933-Y960 HydrophobicContact CD1-CE1 3.52Å; F933-Y960 HydrophobicContact CD1-CG 4.44Å; F933-Y960 AromaticContact CD2-CD1 3.48Å; F933-Y960 HydrophobicContact CD2-CD1 3.48Å; F933-Y960 VanDerWaalsContact CD2-CD1 3.48Å; F933-Y960 HydrophobicContact CD2-CD2 4.06Å; F933-Y960 AromaticContact CD2-CE1 3.92Å; F933-Y960 HydrophobicContact CD2-CE1 3.92Å; F933-Y960 HydrophobicContact CD2-CE2 4.44Å; F933-Y960 AromaticContact CD2-CG 3.57Å; F933-Y960 HydrophobicContact CD2-CG 3.57Å; F933-Y960 AromaticContact CE1-CD1 3.66Å; F933-Y960 HydrophobicContact CE1-CD1 3.66Å; F933-Y960 HydrophobicContact CE1-CE1 4.1Å; F933-Y960 AromaticContact CE2-CD1 3.63Å; F933-Y960 HydrophobicContact CE2-CD1 3.63Å; F933-Y960 HydrophobicContact CE2-CE1 4.46Å; F933-Y960 AromaticContact CE2-CG 3.69Å; F933-Y960 HydrophobicContact CE2-CG 3.69Å; F933-Y960 AromaticContact CG-CD1 3.41Å; F933-Y960 HydrophobicContact CG-CD1 3.41Å; F933-Y960 VanDerWaalsContact CG-CD1 3.41Å; F933-Y960 HydrophobicContact CG-CD2 4.42Å; F933-Y960 AromaticContact CG-CE1 3.39Å; F933-Y960 HydrophobicContact CG-CE1 3.39Å; F933-Y960 HydrophobicContact CG-CE2 4.41Å; F933-Y960 AromaticContact CG-CG 3.96Å; F933-Y960 HydrophobicContact CG-CG 3.96Å; F933-Y960 AromaticContact CG-CZ 3.93Å; F933-Y960 AromaticContact CZ-CD1 3.7Å; F933-Y960 HydrophobicContact CZ-CD1 3.7Å; F933-Y960 HydrophobicContact CZ-CG 4.17Å; A957-Y960 WeakPolarHBondContact O-CB 3.45Å; A957-Y960 PolarHBondContact O-N 3.35Å; A957-Y960 VanDerWaalsContact O-N 3.14Å; P958-Y960 VanDerWaalsContact C-N 3.29Å; P958-Y960 PolarHBondContact O-N 3Å; Y960-T962 VanDerWaalsContact C-N 3.32Å; Y960-T962 PolarHBondContact O-N 3.21Å; Y960-A963 PolarHBondContact O-N 2.96Å; Y960-F964 HydrophobicContact CE1-CB 4.4Å; Y960-F964 WeakPolarHBondContact O-CB 3.49Å; Y960-F964 PolarHBondContact O-N 3.44Å; Y960-M990 HydrophobicContact CD1-CE 4.37Å; Y960-M990 HydrophobicContact CE1-CE 4.14Å; Y960-M990 HydrophobicContact CE1-SD 3.92Å
961	V	96.3	Very high	90.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-43.1	-178.5	178	0	0	0	0	110.5	F933 A957 P958 F964 T965 M990 T994 L997 T1022 L1023 F1026	F933-V961 HydrophobicContact CE1-CG2 4.2Å; F933-V961 HydrophobicContact CZ-CG2 4.03Å; A957-V961 PolarHBondContact O-N 3.42Å; P958-V961 PolarHBondContact O-N 3.32Å; P958-V961 VanDerWaalsContact O-N 3.1Å; V961-F964 PolarHBondContact O-N 2.82Å; V961-T965 VanDerWaalsContact O-CB 3.26Å; V961-T965 WeakPolarHBondContact O-CB 3.38Å; V961-T965 PolarHBondContact O-N 3.07Å; V961-T965 PolarHBondContact O-OG1 3.32Å; V961-M990 HydrophobicContact CG2-CE 4.44Å; V961-T994 HydrophobicContact CG2-CG2 4.5Å; V961-L997 HydrophobicContact CG2-CD1 4.38Å; V961-T1022 HydrophobicContact CB-CG2 3.9Å; V961-T1022 HydrophobicContact CG1-CG2 3.89Å; V961-L1023 HydrophobicContact CG1-CD2 4.37Å; V961-L1023 HydrophobicContact CG2-CD2 4.19Å; V961-F1026 HydrophobicContact CG1-CB 3.78Å; V961-F1026 HydrophobicContact CG1-CD2 4.47Å; V961-F1026 HydrophobicContact CG1-CG 4.17Å
962	T	94.7	Very high	90.6	Very high	43 Å²	43	25.2 Å²	25.2	26%	0.264	13%	0.127	S	C	.	.	H	α-helix	trans	-61.9	-46.3	174.1	-58.3	0	0	0	0	111.7	P958 Y960 F964 T965 N966 T1022	P958-T962 PolarHBondContact O-N 2.89Å; P958-T962 PolarHBondContact O-OG1 2.79Å; Y960-T962 VanDerWaalsContact C-N 3.32Å; Y960-T962 PolarHBondContact O-N 3.21Å; T962-F964 PolarHBondContact O-N 3.26Å; T962-T965 PolarHBondContact O-N 3.31Å; T962-N966 WeakPolarHBondContact O-CB 2.89Å; T962-N966 VanDerWaalsContact O-CG 3.31Å; T962-N966 PolarHBondContact O-N 2.83Å; T962-N966 PolarHBondContact O-ND2 3.37Å; T962-T1022 VanDerWaalsContact OG1-CG2 3.24Å; T962-T1022 WeakPolarHBondContact OG1-CG2 3.41Å
963	A	92.8	Very high	90.1	Very high	8 Å²	8	26.8 Å²	26.8	7%	0.066	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-44.4	178.3	0	0	0	0	0	112.2	A907 R908 T959 Y960 N966 S967	A907-A963 HydrophobicContact CB-CB 4.01Å; R908-A963 HydrophobicContact CG-CB 4.01Å; T959-A963 WeakPolarHBondContact O-CB 3.26Å; T959-A963 PolarHBondContact O-N 3.49Å; Y960-A963 PolarHBondContact O-N 2.96Å; A963-N966 PolarHBondContact O-N 2.98Å; A963-S967 PolarHBondContact O-N 3.11Å
964	F	94.6	Very high	89.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-61	-44.9	173.2	-177.8	-85.5	0	0	0	111.6	W926 V930 Y960 V961 T962 N966 A968 I969 L972 I986 M990 F1026	W926-F964 AromaticContact CE3-CD2 3.66Å; W926-F964 HydrophobicContact CE3-CD2 3.66Å; W926-F964 HydrophobicContact CE3-CE2 4.11Å; W926-F964 HydrophobicContact CZ3-CB 4.24Å; W926-F964 AromaticContact CZ3-CD2 3.74Å; W926-F964 HydrophobicContact CZ3-CD2 3.74Å; W926-F964 HydrophobicContact CZ3-CG 4.44Å; V930-F964 HydrophobicContact CG2-CD2 3.75Å; V930-F964 HydrophobicContact CG2-CE2 3.41Å; V930-F964 VanDerWaalsContact CG2-CE2 3.41Å; V930-F964 HydrophobicContact CG2-CZ 4.35Å; Y960-F964 HydrophobicContact CE1-CB 4.4Å; Y960-F964 WeakPolarHBondContact O-CB 3.49Å; Y960-F964 PolarHBondContact O-N 3.44Å; V961-F964 PolarHBondContact O-N 2.82Å; T962-F964 PolarHBondContact O-N 3.26Å; F964-N966 VanDerWaalsContact C-N 3.31Å; F964-N966 PolarHBondContact O-N 3.45Å; F964-A968 HydrophobicContact CD1-CB 4.16Å; F964-A968 HydrophobicContact CD2-CB 3.43Å; F964-A968 VanDerWaalsContact CD2-CB 3.43Å; F964-A968 HydrophobicContact CE1-CB 4.15Å; F964-A968 HydrophobicContact CE2-CB 3.42Å; F964-A968 VanDerWaalsContact CE2-CB 3.42Å; F964-A968 HydrophobicContact CG-CB 3.8Å; F964-A968 HydrophobicContact CZ-CB 3.8Å; F964-A968 WeakPolarHBondContact O-CA 3.38Å; F964-A968 WeakPolarHBondContact O-CB 3.37Å; F964-A968 PolarHBondContact O-N 3.18Å; F964-I969 HydrophobicContact CD1-CG1 4.25Å; F964-I969 HydrophobicContact CE1-CG1 3.99Å; F964-I969 PolarHBondContact O-N 3.15Å; F964-L972 HydrophobicContact CZ-CD1 4.07Å; F964-I986 HydrophobicContact CE2-CG2 3.98Å; F964-I986 HydrophobicContact CZ-CG2 3.86Å; F964-M990 HydrophobicContact CB-CE 4.22Å; F964-M990 HydrophobicContact CD1-CE 3.91Å; F964-M990 HydrophobicContact CD1-CG 4.28Å; F964-M990 HydrophobicContact CD2-CE 4.45Å; F964-M990 HydrophobicContact CD2-CG 4.39Å; F964-M990 HydrophobicContact CD2-SD 4.29Å; F964-M990 HydrophobicContact CE1-CE 4.46Å; F964-M990 HydrophobicContact CE1-CG 3.91Å; F964-M990 HydrophobicContact CE2-CG 4.03Å; F964-M990 HydrophobicContact CE2-SD 4.47Å; F964-M990 HydrophobicContact CG-CE 3.92Å; F964-M990 HydrophobicContact CG-SD 4.35Å; F964-M990 HydrophobicContact CZ-CG 3.78Å; F964-F1026 HydrophobicContact CD1-CD2 4.42Å; F964-F1026 AromaticContact CD1-CE2 3.98Å; F964-F1026 HydrophobicContact CD1-CE2 3.98Å; F964-F1026 AromaticContact CE1-CE2 3.9Å; F964-F1026 HydrophobicContact CE1-CE2 3.9Å
965	T	92.1	Very high	88.6	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.025	17%	0.172	C	C	.	.	I	π-helix	trans	-61.9	-40.5	-179.2	-59.7	0	0	0	0	111.6	V961 T962 I969 R1029	V961-T965 VanDerWaalsContact O-CB 3.26Å; V961-T965 WeakPolarHBondContact O-CB 3.38Å; V961-T965 PolarHBondContact O-N 3.07Å; V961-T965 PolarHBondContact O-OG1 3.32Å; T962-T965 PolarHBondContact O-N 3.31Å; T965-I969 HydrophobicContact CG2-CD1 3.91Å; T965-I969 WeakPolarHBondContact O-CB 3.31Å; T965-R1029 HydrophobicContact CG2-CB 3.78Å; T965-R1029 HydrophobicContact CG2-CG 3.85Å
966	N	90	Very high	87.8	Confident	76 Å²	76	30 Å²	30	41%	0.406	15%	0.154	S	C	.	.	I	π-helix	trans	-76.2	-45	-177.1	-71.5	-17.3	0	0	0	112.8	T962 A963 F964 R970	T962-N966 WeakPolarHBondContact O-CB 2.89Å; T962-N966 VanDerWaalsContact O-CG 3.31Å; T962-N966 PolarHBondContact O-N 2.83Å; T962-N966 PolarHBondContact O-ND2 3.37Å; A963-N966 PolarHBondContact O-N 2.98Å; F964-N966 VanDerWaalsContact C-N 3.31Å; F964-N966 PolarHBondContact O-N 3.45Å; N966-R970 VanDerWaalsContact O-CD 3.3Å; N966-R970 WeakPolarHBondContact O-CD 3.42Å; N966-R970 WeakPolarHBondContact O-CG 3.45Å; N966-R970 PolarHBondContact O-NE 3.43Å
967	S	87.5	Confident	86.6	Confident	14 Å²	14	36.8 Å²	36.8	10%	0.098	19%	0.185	C	C	.	.	I	π-helix	trans	-101.9	-45	-171.2	-53.5	0	0	0	0	112.7	E911 A963	E911-S967 PolarHBondContact OE2-OG 2.88Å; A963-S967 PolarHBondContact O-N 3.11Å
968	A	86.7	Confident	85.1	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.008	22%	0.223	C	C	.	.	I	π-helix	trans	-73.8	-44.6	-175.8	0	0	0	0	0	112.3	W926 F964 R970 L971 L972	W926-A968 HydrophobicContact CD2-CB 3.56Å; W926-A968 HydrophobicContact CE3-CB 3.83Å; W926-A968 HydrophobicContact CG-CB 4.08Å; W926-A968 HydrophobicContact CH2-CB 4.1Å; W926-A968 HydrophobicContact CZ2-CB 3.85Å; W926-A968 HydrophobicContact CZ3-CB 4.08Å; F964-A968 HydrophobicContact CD1-CB 4.16Å; F964-A968 HydrophobicContact CD2-CB 3.43Å; F964-A968 VanDerWaalsContact CD2-CB 3.43Å; F964-A968 HydrophobicContact CE1-CB 4.15Å; F964-A968 HydrophobicContact CE2-CB 3.42Å; F964-A968 VanDerWaalsContact CE2-CB 3.42Å; F964-A968 HydrophobicContact CG-CB 3.8Å; F964-A968 HydrophobicContact CZ-CB 3.8Å; F964-A968 WeakPolarHBondContact O-CA 3.38Å; F964-A968 WeakPolarHBondContact O-CB 3.37Å; F964-A968 PolarHBondContact O-N 3.18Å; A968-R970 VanDerWaalsContact C-N 3.26Å; A968-R970 PolarHBondContact O-N 3.11Å; A968-L971 WeakPolarHBondContact O-CA 3.16Å; A968-L971 WeakPolarHBondContact O-CB 3.33Å; A968-L971 PolarHBondContact O-N 3.02Å; A968-L972 WeakPolarHBondContact O-CG 3.33Å; A968-L972 PolarHBondContact O-N 3.27Å
969	I	85.4	Confident	83.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-35.7	-177.4	-63.1	-179.6	0	0	0	111.8	F964 T965 L971 L972 D973 F1026 R1029 V1030 M1033	F964-I969 HydrophobicContact CD1-CG1 4.25Å; F964-I969 HydrophobicContact CE1-CG1 3.99Å; F964-I969 PolarHBondContact O-N 3.15Å; T965-I969 HydrophobicContact CG2-CD1 3.91Å; T965-I969 WeakPolarHBondContact O-CB 3.31Å; I969-L971 VanDerWaalsContact C-N 3.3Å; I969-L971 PolarHBondContact O-N 2.95Å; I969-L972 PolarHBondContact O-N 2.99Å; I969-D973 WeakPolarHBondContact O-CB 3.43Å; I969-D973 PolarHBondContact O-N 3.16Å; I969-F1026 HydrophobicContact CD1-CD2 3.98Å; I969-F1026 HydrophobicContact CD1-CE2 4.13Å; I969-R1029 HydrophobicContact CB-CG 4.44Å; I969-R1029 HydrophobicContact CD1-CB 3.95Å; I969-R1029 HydrophobicContact CD1-CG 3.77Å; I969-R1029 HydrophobicContact CG2-CG 4Å; I969-V1030 HydrophobicContact CD1-CG2 3.9Å; I969-M1033 HydrophobicContact CG2-CB 4.21Å; I969-M1033 HydrophobicContact CG2-CG 4.46Å; I969-M1033 HydrophobicContact CG2-SD 3.86Å
970	R	83.3	Confident	82.9	Confident	145 Å²	145	47.8 Å²	47.8	55%	0.547	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-40.2	174.5	-66.7	-178.2	-175.7	-158.7	-2.6	112.2	N966 A968 D973 I974	N966-R970 VanDerWaalsContact O-CD 3.3Å; N966-R970 WeakPolarHBondContact O-CD 3.42Å; N966-R970 WeakPolarHBondContact O-CG 3.45Å; N966-R970 PolarHBondContact O-NE 3.43Å; A968-R970 VanDerWaalsContact C-N 3.26Å; A968-R970 PolarHBondContact O-N 3.11Å; R970-D973 PolarHBondContact O-N 3.16Å; R970-I974 WeakPolarHBondContact O-CG1 3.46Å; R970-I974 PolarHBondContact O-N 2.96Å
971	L	81.9	Confident	81.9	Confident	39 Å²	39	54.4 Å²	54.4	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-69.1	-37	176.2	-65.9	171.1	0	0	0	112	K922 A968 I969 N975	K922-L971 HydrophobicContact CB-CD1 4.21Å; K922-L971 HydrophobicContact CD-CD1 4.34Å; K922-L971 HydrophobicContact CD-CD2 3.95Å; A968-L971 WeakPolarHBondContact O-CA 3.16Å; A968-L971 WeakPolarHBondContact O-CB 3.33Å; A968-L971 PolarHBondContact O-N 3.02Å; I969-L971 VanDerWaalsContact C-N 3.3Å; I969-L971 PolarHBondContact O-N 2.95Å; L971-N975 PolarHBondContact O-N 3.2Å; L971-N975 PolarHBondContact O-ND2 3.07Å
972	L	81.6	Confident	81	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-37.1	175.6	-59.1	179.1	0	0	0	111.6	F923 F964 A968 I969 F976 V983 L987 M1033	F923-L972 HydrophobicContact CD1-CD2 4.23Å; F923-L972 HydrophobicContact CE1-CD2 3.39Å; F923-L972 HydrophobicContact CZ-CD2 3.95Å; F964-L972 HydrophobicContact CZ-CD1 4.07Å; A968-L972 WeakPolarHBondContact O-CG 3.33Å; A968-L972 PolarHBondContact O-N 3.27Å; I969-L972 PolarHBondContact O-N 2.99Å; L972-F976 VanDerWaalsContact O-CA 3.28Å; L972-F976 WeakPolarHBondContact O-CA 3.32Å; L972-F976 VanDerWaalsContact O-CB 3.32Å; L972-F976 WeakPolarHBondContact O-CB 3.39Å; L972-F976 PolarHBondContact O-N 2.86Å; L972-F976 VanDerWaalsContact O-N 3.09Å; L972-V983 HydrophobicContact CB-CG1 4.34Å; L972-V983 HydrophobicContact CD1-CG1 4.49Å; L972-V983 HydrophobicContact CD2-CB 4.44Å; L972-V983 HydrophobicContact CD2-CG1 4.23Å; L972-V983 HydrophobicContact CD2-CG2 3.98Å; L972-L987 HydrophobicContact CD1-CD2 3.79Å; L972-L987 HydrophobicContact CD1-CG 4.28Å; L972-M1033 HydrophobicContact CB-SD 3.76Å
973	D	79.9	Confident	80.5	Confident	42 Å²	42	57.6 Å²	57.6	23%	0.225	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-46.9	-179.1	-158.7	11.5	0	0	0	111.8	I969 R970 N975 F976 M1033 N1037	I969-D973 WeakPolarHBondContact O-CB 3.43Å; I969-D973 PolarHBondContact O-N 3.16Å; R970-D973 PolarHBondContact O-N 3.16Å; D973-N975 VanDerWaalsContact C-N 3.3Å; D973-N975 PolarHBondContact O-N 3.25Å; D973-F976 PolarHBondContact O-N 2.9Å; D973-M1033 HydrophobicContact CB-CG 3.85Å; D973-M1033 HydrophobicContact CB-SD 4.41Å; D973-M1033 WeakPolarHBondContact OD1-CG 3Å; D973-N1037 PolarHBondContact OD1-ND2 2.92Å
974	I	78.3	Confident	80	Confident	138 Å²	138	65.1 Å²	65.1	71%	0.708	31%	0.309	S	S	*	.	H	α-helix	trans	-64.2	-34.9	-179.3	-66.4	165.8	0	0	0	112.1	R970	R970-I974 WeakPolarHBondContact O-CG1 3.46Å; R970-I974 PolarHBondContact O-N 2.96Å
975	N	73.4	Confident	79.6	Confident	20 Å²	20	68.4 Å²	68.4	11%	0.107	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	21	-173.9	-50.8	-75.1	0	0	0	112.6	T919 F923 L971 D973 E977 L979	T919-N975 HydrophobicContact CG2-CB 4.32Å; T919-N975 VanDerWaalsContact CG2-CG 3.44Å; T919-N975 WeakPolarHBondContact CG2-ND2 3.43Å; T919-N975 WeakPolarHBondContact CG2-OD1 3.24Å; F923-N975 HydrophobicContact CE2-CB 3.92Å; F923-N975 HydrophobicContact CZ-CB 4.09Å; L971-N975 PolarHBondContact O-N 3.2Å; L971-N975 PolarHBondContact O-ND2 3.07Å; D973-N975 VanDerWaalsContact C-N 3.3Å; D973-N975 PolarHBondContact O-N 3.25Å; N975-E977 PolarHBondContact O-N 3.39Å; N975-L979 HydrophobicContact CB-CD1 3.96Å; N975-L979 PolarHBondContact O-N 2.69Å; N975-L979 VanDerWaalsContact O-N 3.16Å
976	F	71.9	Confident	79.5	Confident	14 Å²	14	68.7 Å²	68.7	6%	0.061	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-46.2	-169.8	-169.4	-95.5	0	0	0	112.1	L972 D973 L980 V983 M1033 M1034 N1037 C1039	L972-F976 VanDerWaalsContact O-CA 3.28Å; L972-F976 WeakPolarHBondContact O-CA 3.32Å; L972-F976 VanDerWaalsContact O-CB 3.32Å; L972-F976 WeakPolarHBondContact O-CB 3.39Å; L972-F976 PolarHBondContact O-N 2.86Å; L972-F976 VanDerWaalsContact O-N 3.09Å; D973-F976 PolarHBondContact O-N 2.9Å; F976-L980 HydrophobicContact CD1-CD2 3.72Å; F976-L980 HydrophobicContact CD2-CD2 4.45Å; F976-L980 HydrophobicContact CE1-CD2 3.45Å; F976-L980 VanDerWaalsContact CE1-CD2 3.45Å; F976-L980 HydrophobicContact CE2-CD2 4.21Å; F976-L980 HydrophobicContact CG-CD2 4.23Å; F976-L980 HydrophobicContact CZ-CD2 3.72Å; F976-L980 WeakPolarHBondContact O-CD2 3.42Å; F976-L980 WeakPolarHBondContact O-CG 3.39Å; F976-L980 PolarHBondContact O-N 3.34Å; F976-V983 HydrophobicContact CD2-CG1 4.1Å; F976-V983 HydrophobicContact CE2-CG1 4.09Å; F976-M1033 HydrophobicContact CD2-CE 4.22Å; F976-M1033 HydrophobicContact CD2-SD 4.35Å; F976-M1033 HydrophobicContact CE2-CE 3.95Å; F976-M1034 HydrophobicContact CZ-CG 4.47Å; F976-N1037 HydrophobicContact CB-CB 4.44Å; F976-N1037 WeakPolarHBondContact CB-OD1 3.15Å; F976-N1037 HydrophobicContact CD1-CB 3.32Å; F976-N1037 HydrophobicContact CE1-CB 3.63Å; F976-N1037 HydrophobicContact CG-CB 3.96Å; F976-N1037 HydrophobicContact CZ-CB 4.5Å; F976-C1039 HydrophobicContact CE1-CB 4.19Å; F976-C1039 HydrophobicContact CZ-CB 4.42Å
977	E	67.1	Low	79.4	Confident	161 Å²	161	66.4 Å²	66.4	75%	0.752	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-39.9	-178.8	-68.4	-172	167.5	0	0	112.8	N975	N975-E977 PolarHBondContact O-N 3.39Å
978	E	65	Low	79.5	Confident	168 Å²	168	70.3 Å²	70.3	79%	0.785	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-25.1	-173.7	-64.1	-172.3	166.9	0	0	113.6
979	L	69.5	Low	79.8	Confident	41 Å²	41	70.9 Å²	70.9	22%	0.215	34%	0.341	C	S	.	.			trans	-128.7	30.5	-169.9	-66.5	166.2	0	0	0	113.7	T919 F923 N975 D981 H982 V983	T919-L979 HydrophobicContact CG2-CD1 4.13Å; F923-L979 HydrophobicContact CD2-CD1 3.76Å; F923-L979 HydrophobicContact CE2-CD1 3.38Å; F923-L979 HydrophobicContact CZ-CB 4.28Å; F923-L979 HydrophobicContact CZ-CD1 3.93Å; N975-L979 HydrophobicContact CB-CD1 3.96Å; N975-L979 PolarHBondContact O-N 2.69Å; N975-L979 VanDerWaalsContact O-N 3.16Å; L979-D981 PolarHBondContact O-N 3.27Å; L979-D981 VanDerWaalsContact O-N 3.1Å; L979-H982 HydrophobicContact CB-CB 4.5Å; L979-H982 PolarHBondContact O-N 3.25Å; L979-V983 WeakPolarHBondContact O-CG2 3.33Å; L979-V983 PolarHBondContact O-N 3.02Å
980	L	72.4	Confident	80.2	Confident	83 Å²	83	70.9 Å²	70.9	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-48.3	-40.9	179.9	-76.7	178.3	0	0	0	113.8	F976 H982 V983 R984	F976-L980 HydrophobicContact CD1-CD2 3.72Å; F976-L980 HydrophobicContact CD2-CD2 4.45Å; F976-L980 HydrophobicContact CE1-CD2 3.45Å; F976-L980 VanDerWaalsContact CE1-CD2 3.45Å; F976-L980 HydrophobicContact CE2-CD2 4.21Å; F976-L980 HydrophobicContact CG-CD2 4.23Å; F976-L980 HydrophobicContact CZ-CD2 3.72Å; F976-L980 WeakPolarHBondContact O-CD2 3.42Å; F976-L980 WeakPolarHBondContact O-CG 3.39Å; F976-L980 PolarHBondContact O-N 3.34Å; L980-H982 VanDerWaalsContact C-N 3.25Å; L980-H982 PolarHBondContact O-N 2.86Å; L980-V983 PolarHBondContact O-N 3.44Å; L980-R984 WeakPolarHBondContact O-CB 3.38Å; L980-R984 PolarHBondContact O-N 3.35Å
981	D	76.3	Confident	80.6	Confident	140 Å²	140	69.9 Å²	69.9	75%	0.749	34%	0.342	S	S	*	.	H	α-helix	trans	-65.8	-25.4	-179.5	-72.1	-31.1	0	0	0	113.3	L979 P985	L979-D981 PolarHBondContact O-N 3.27Å; L979-D981 VanDerWaalsContact O-N 3.1Å; D981-P985 WeakPolarHBondContact O-CD 3.49Å; D981-P985 WeakPolarHBondContact O-CG 3.35Å
982	H	77.4	Confident	81	Confident	108 Å²	108	72.4 Å²	72.4	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-91.3	-35.5	174.8	-63	-67.5	0	0	0	112.5	F923 L979 L980 P985 I986	F923-H982 HydrophobicContact CD1-CB 4.3Å; L979-H982 HydrophobicContact CB-CB 4.5Å; L979-H982 PolarHBondContact O-N 3.25Å; L980-H982 VanDerWaalsContact C-N 3.25Å; L980-H982 PolarHBondContact O-N 2.86Å; H982-P985 WeakPolarHBondContact O-CD 3.38Å; H982-I986 WeakPolarHBondContact O-CD1 3.37Å; H982-I986 WeakPolarHBondContact O-CG1 3.18Å
983	V	82.8	Confident	81.7	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-66.3	-45	180	174.1	0	0	0	0	110.8	F923 L972 F976 L979 L980 I986 L987	F923-V983 HydrophobicContact CE1-CG2 3.76Å; F923-V983 HydrophobicContact CZ-CG2 4.02Å; L972-V983 HydrophobicContact CB-CG1 4.34Å; L972-V983 HydrophobicContact CD1-CG1 4.49Å; L972-V983 HydrophobicContact CD2-CB 4.44Å; L972-V983 HydrophobicContact CD2-CG1 4.23Å; L972-V983 HydrophobicContact CD2-CG2 3.98Å; F976-V983 HydrophobicContact CD2-CG1 4.1Å; F976-V983 HydrophobicContact CE2-CG1 4.09Å; L979-V983 WeakPolarHBondContact O-CG2 3.33Å; L979-V983 PolarHBondContact O-N 3.02Å; L980-V983 PolarHBondContact O-N 3.44Å; V983-I986 PolarHBondContact O-N 3.28Å; V983-L987 HydrophobicContact CG1-CD1 3.66Å; V983-L987 HydrophobicContact CG1-CG 4.13Å; V983-L987 WeakPolarHBondContact O-CG 2.86Å; V983-L987 PolarHBondContact O-N 2.75Å
984	R	82.1	Confident	82.3	Confident	166 Å²	166	70.9 Å²	70.9	63%	0.626	35%	0.345	S	S	*	.	H	α-helix	trans	-58.8	-50.7	-174.8	170.1	-174.9	-85.9	179.5	-5.3	113.2	L980 I986 L987 Q988	L980-R984 WeakPolarHBondContact O-CB 3.38Å; L980-R984 PolarHBondContact O-N 3.35Å; R984-I986 VanDerWaalsContact C-N 3.3Å; R984-I986 PolarHBondContact O-N 3.14Å; R984-L987 PolarHBondContact O-N 2.91Å; R984-Q988 HydrophobicContact CG-CG 4.4Å; R984-Q988 WeakPolarHBondContact O-CB 3.26Å; R984-Q988 WeakPolarHBondContact O-CG 3.33Å; R984-Q988 PolarHBondContact O-N 3.13Å
985	P	87.2	Confident	82.8	Confident	68 Å²	68	70 Å²	70	44%	0.442	33%	0.333	S	S	.	.	H	α-helix	trans	-60.4	-36.9	178.3	-25.9	34.9	0	0	0	113.6	D981 H982 Q988 A989	D981-P985 WeakPolarHBondContact O-CD 3.49Å; D981-P985 WeakPolarHBondContact O-CG 3.35Å; H982-P985 WeakPolarHBondContact O-CD 3.38Å; P985-Q988 PolarHBondContact O-N 3.23Å; P985-A989 VanDerWaalsContact O-CB 3.3Å; P985-A989 WeakPolarHBondContact O-CB 3.31Å; P985-A989 PolarHBondContact O-N 3.03Å
986	I	89.7	Confident	83.7	Confident	10 Å²	10	69.9 Å²	69.9	5%	0.051	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-47.6	178.1	-63.8	173.3	0	0	0	110	F923 A927 V930 F964 H982 V983 R984 Q988 A989 M990	F923-I986 HydrophobicContact CD1-CD1 4.01Å; A927-I986 HydrophobicContact CB-CD1 4.09Å; A927-I986 HydrophobicContact CB-CG1 4.25Å; V930-I986 HydrophobicContact CB-CG2 4.46Å; V930-I986 HydrophobicContact CG1-CG2 4.44Å; V930-I986 HydrophobicContact CG2-CG2 4.02Å; F964-I986 HydrophobicContact CE2-CG2 3.98Å; F964-I986 HydrophobicContact CZ-CG2 3.86Å; H982-I986 WeakPolarHBondContact O-CD1 3.37Å; H982-I986 WeakPolarHBondContact O-CG1 3.18Å; V983-I986 PolarHBondContact O-N 3.28Å; R984-I986 VanDerWaalsContact C-N 3.3Å; R984-I986 PolarHBondContact O-N 3.14Å; I986-Q988 PolarHBondContact O-N 3.03Å; I986-A989 PolarHBondContact O-N 3.04Å; I986-M990 PolarHBondContact O-N 3Å
987	L	88.5	Confident	84.7	Confident	29 Å²	29	69.2 Å²	69.2	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-64.5	-39.4	177.9	-68.5	176.8	0	0	0	112.3	L972 V983 R984 M990 Q991 V1030 M1033	L972-L987 HydrophobicContact CD1-CD2 3.79Å; L972-L987 HydrophobicContact CD1-CG 4.28Å; V983-L987 HydrophobicContact CG1-CD1 3.66Å; V983-L987 HydrophobicContact CG1-CG 4.13Å; V983-L987 WeakPolarHBondContact O-CG 2.86Å; V983-L987 PolarHBondContact O-N 2.75Å; R984-L987 PolarHBondContact O-N 2.91Å; L987-M990 PolarHBondContact O-N 2.81Å; L987-Q991 VanDerWaalsContact O-CB 3.31Å; L987-Q991 WeakPolarHBondContact O-CB 3.47Å; L987-Q991 PolarHBondContact O-N 2.98Å; L987-V1030 HydrophobicContact CD2-CG2 4.34Å; L987-M1033 HydrophobicContact CD1-CE 3.79Å; L987-M1033 HydrophobicContact CD2-CE 4.42Å
988	Q	89.3	Confident	85.7	Confident	96 Å²	96	63.8 Å²	63.8	45%	0.449	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-42.6	175	-74.6	177.1	-14	0	0	111.8	R984 P985 I986 Q991 Q992	R984-Q988 HydrophobicContact CG-CG 4.4Å; R984-Q988 WeakPolarHBondContact O-CB 3.26Å; R984-Q988 WeakPolarHBondContact O-CG 3.33Å; R984-Q988 PolarHBondContact O-N 3.13Å; P985-Q988 PolarHBondContact O-N 3.23Å; I986-Q988 PolarHBondContact O-N 3.03Å; Q988-Q991 WeakPolarHBondContact O-CB 3.47Å; Q988-Q991 PolarHBondContact O-N 3.49Å; Q988-Q992 WeakPolarHBondContact O-CG 3.32Å; Q988-Q992 PolarHBondContact O-N 3.36Å
989	A	92.5	Very high	86.9	Confident	13 Å²	13	56.8 Å²	56.8	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-41.9	176.1	0	0	0	0	0	112	V930 P985 I986 Q992 S993	V930-A989 HydrophobicContact CG1-CB 3.53Å; P985-A989 VanDerWaalsContact O-CB 3.3Å; P985-A989 WeakPolarHBondContact O-CB 3.31Å; P985-A989 PolarHBondContact O-N 3.03Å; I986-A989 PolarHBondContact O-N 3.04Å; A989-Q992 PolarHBondContact O-N 3.21Å; A989-S993 PolarHBondContact O-N 3.45Å; A989-S993 VanDerWaalsContact O-N 3.12Å; A989-S993 PolarHBondContact O-OG 3.14Å
990	M	93.6	Very high	87.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-43.4	173.3	-78	-57.5	-67.9	0	0	111.7	V930 F933 Y960 V961 F964 I986 L987 Q992 S993 T994 F1026	V930-M990 HydrophobicContact CB-SD 4.41Å; V930-M990 HydrophobicContact CG1-CG 3.81Å; V930-M990 HydrophobicContact CG1-SD 3.92Å; V930-M990 HydrophobicContact CG2-CG 3.92Å; V930-M990 HydrophobicContact CG2-SD 3.79Å; F933-M990 HydrophobicContact CD1-CE 4.47Å; F933-M990 HydrophobicContact CD1-SD 4.05Å; F933-M990 HydrophobicContact CE1-CE 4.34Å; F933-M990 HydrophobicContact CE1-SD 4.47Å; Y960-M990 HydrophobicContact CD1-CE 4.37Å; Y960-M990 HydrophobicContact CE1-CE 4.14Å; Y960-M990 HydrophobicContact CE1-SD 3.92Å; V961-M990 HydrophobicContact CG2-CE 4.44Å; F964-M990 HydrophobicContact CB-CE 4.22Å; F964-M990 HydrophobicContact CD1-CE 3.91Å; F964-M990 HydrophobicContact CD1-CG 4.28Å; F964-M990 HydrophobicContact CD2-CE 4.45Å; F964-M990 HydrophobicContact CD2-CG 4.39Å; F964-M990 HydrophobicContact CD2-SD 4.29Å; F964-M990 HydrophobicContact CE1-CE 4.46Å; F964-M990 HydrophobicContact CE1-CG 3.91Å; F964-M990 HydrophobicContact CE2-CG 4.03Å; F964-M990 HydrophobicContact CE2-SD 4.47Å; F964-M990 HydrophobicContact CG-CE 3.92Å; F964-M990 HydrophobicContact CG-SD 4.35Å; F964-M990 HydrophobicContact CZ-CG 3.78Å; I986-M990 PolarHBondContact O-N 3Å; L987-M990 PolarHBondContact O-N 2.81Å; M990-Q992 VanDerWaalsContact C-N 3.32Å; M990-Q992 PolarHBondContact O-N 2.98Å; M990-S993 WeakPolarHBondContact O-CB 3.49Å; M990-S993 PolarHBondContact O-N 2.75Å; M990-S993 VanDerWaalsContact O-N 3.11Å; M990-T994 WeakPolarHBondContact O-CG2 3.41Å; M990-T994 PolarHBondContact O-N 3.43Å; M990-T994 PolarHBondContact O-OG1 2.8Å; M990-F1026 HydrophobicContact CB-CE2 4.44Å; M990-F1026 HydrophobicContact CB-CZ 3.86Å
991	Q	91.3	Very high	88.4	Confident	123 Å²	123	50.9 Å²	50.9	58%	0.575	24%	0.242	S	C	*	.	H	α-helix	trans	-58.7	-41.5	176.3	-175.9	-172.4	52.9	0	0	112.3	L987 Q988 S993 T994 R995	L987-Q991 VanDerWaalsContact O-CB 3.31Å; L987-Q991 WeakPolarHBondContact O-CB 3.47Å; L987-Q991 PolarHBondContact O-N 2.98Å; Q988-Q991 WeakPolarHBondContact O-CB 3.47Å; Q988-Q991 PolarHBondContact O-N 3.49Å; Q991-S993 VanDerWaalsContact C-N 3.32Å; Q991-T994 WeakPolarHBondContact CA-OG1 3.16Å; Q991-T994 PolarHBondContact O-OG1 3.14Å; Q991-T994 VanDerWaalsContact O-OG1 3.08Å; Q991-R995 WeakPolarHBondContact O-CB 3.3Å; Q991-R995 PolarHBondContact O-N 3.26Å
992	Q	92.2	Very high	88.9	Confident	92 Å²	92	45.1 Å²	45.1	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-42.4	175.5	-71.4	172.3	11	0	0	111.5	C938 Q988 A989 M990 R995 T996	C938-Q992 VanDerWaalsContact SG-C 3.56Å; Q988-Q992 WeakPolarHBondContact O-CG 3.32Å; Q988-Q992 PolarHBondContact O-N 3.36Å; A989-Q992 PolarHBondContact O-N 3.21Å; M990-Q992 VanDerWaalsContact C-N 3.32Å; M990-Q992 PolarHBondContact O-N 2.98Å; Q992-R995 PolarHBondContact O-N 2.88Å; Q992-T996 PolarHBondContact O-N 3.47Å; Q992-T996 PolarHBondContact O-OG1 3.33Å
993	S	94.5	Very high	89.2	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-48.4	179.1	-50.8	0	0	0	0	111	R934 T937 A989 M990 Q991 R995 T996 L997	R934-S993 VanDerWaalsContact CA-OG 3.3Å; R934-S993 WeakPolarHBondContact CA-OG 3.33Å; T937-S993 WeakPolarHBondContact OG1-CB 3.27Å; T937-S993 PolarHBondContact OG1-OG 3.49Å; A989-S993 PolarHBondContact O-N 3.45Å; A989-S993 VanDerWaalsContact O-N 3.12Å; A989-S993 PolarHBondContact O-OG 3.14Å; M990-S993 WeakPolarHBondContact O-CB 3.49Å; M990-S993 PolarHBondContact O-N 2.75Å; M990-S993 VanDerWaalsContact O-N 3.11Å; Q991-S993 VanDerWaalsContact C-N 3.32Å; S993-R995 PolarHBondContact O-N 3.01Å; S993-T996 PolarHBondContact O-N 2.82Å; S993-L997 WeakPolarHBondContact O-CG 2.95Å; S993-L997 PolarHBondContact O-N 2.84Å
994	T	92.8	Very high	89.3	Confident	16 Å²	16	41 Å²	41	10%	0.098	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-36.7	178.5	58.3	0	0	0	0	112.4	V961 M990 Q991 L997 Q998 L1023 F1026	V961-T994 HydrophobicContact CG2-CG2 4.5Å; M990-T994 WeakPolarHBondContact O-CG2 3.41Å; M990-T994 PolarHBondContact O-N 3.43Å; M990-T994 PolarHBondContact O-OG1 2.8Å; Q991-T994 WeakPolarHBondContact CA-OG1 3.16Å; Q991-T994 PolarHBondContact O-OG1 3.14Å; Q991-T994 VanDerWaalsContact O-OG1 3.08Å; T994-L997 PolarHBondContact O-N 3.29Å; T994-Q998 PolarHBondContact O-N 3.14Å; T994-L1023 HydrophobicContact CG2-CD2 3.72Å; T994-F1026 HydrophobicContact CG2-CD1 3.9Å; T994-F1026 HydrophobicContact CG2-CE1 4Å
995	R	89.5	Confident	89.2	Confident	119 Å²	119	38.5 Å²	38.5	45%	0.449	19%	0.187	S	C	.	.	H	α-helix	trans	-62.5	-42.2	172.6	-174.7	175	-178.6	174	6.6	112	Q991 Q992 S993 L997 Q998 N999 L1048	Q991-R995 WeakPolarHBondContact O-CB 3.3Å; Q991-R995 PolarHBondContact O-N 3.26Å; Q992-R995 PolarHBondContact O-N 2.88Å; S993-R995 PolarHBondContact O-N 3.01Å; R995-L997 VanDerWaalsContact C-N 3.34Å; R995-Q998 PolarHBondContact O-N 2.97Å; R995-N999 PolarHBondContact O-N 2.83Å; R995-N999 PolarHBondContact O-OD1 2.88Å; R995-L1048 HydrophobicContact CG-CD1 3.97Å; R995-L1048 HydrophobicContact CG-CD2 4.06Å
996	T	91.6	Very high	88.8	Confident	19 Å²	19	37.8 Å²	37.8	12%	0.117	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-40.8	176.5	-55.9	0	0	0	0	111.1	C938 L941 P942 Q992 S993 Q998 N999 M1000 L1053	C938-T996 PolarHBondContact SG-OG1 3.1Å; L941-T996 HydrophobicContact CB-CG2 4.42Å; L941-T996 HydrophobicContact CD1-CG2 4.4Å; P942-T996 HydrophobicContact CG-CG2 4.25Å; Q992-T996 PolarHBondContact O-N 3.47Å; Q992-T996 PolarHBondContact O-OG1 3.33Å; S993-T996 PolarHBondContact O-N 2.82Å; T996-Q998 VanDerWaalsContact C-N 3.35Å; T996-Q998 PolarHBondContact O-N 3.01Å; T996-N999 PolarHBondContact O-N 2.78Å; T996-M1000 PolarHBondContact O-N 3.42Å; T996-L1053 HydrophobicContact CG2-CD2 3.88Å
997	L	92.7	Very high	88.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-35.8	174.4	-67	172.9	0	0	0	112.7	F933 T937 L941 A957 V961 S993 T994 R995 M1000 C1001 L1023	F933-L997 HydrophobicContact CE1-CD1 4.44Å; F933-L997 HydrophobicContact CZ-CD1 3.99Å; T937-L997 HydrophobicContact CG2-CD2 4.19Å; T937-L997 HydrophobicContact CG2-CG 4.33Å; L941-L997 HydrophobicContact CD1-CD2 4.15Å; A957-L997 HydrophobicContact CB-CD1 3.99Å; A957-L997 HydrophobicContact CB-CD2 3.86Å; V961-L997 HydrophobicContact CG2-CD1 4.38Å; S993-L997 WeakPolarHBondContact O-CG 2.95Å; S993-L997 PolarHBondContact O-N 2.84Å; T994-L997 PolarHBondContact O-N 3.29Å; R995-L997 VanDerWaalsContact C-N 3.34Å; L997-M1000 HydrophobicContact CD2-CE 3.65Å; L997-M1000 HydrophobicContact CD2-SD 4.42Å; L997-M1000 WeakPolarHBondContact O-CB 3.5Å; L997-M1000 PolarHBondContact O-N 2.71Å; L997-C1001 PolarHBondContact O-N 2.91Å; L997-C1001 PolarHBondContact O-SG 3.47Å; L997-L1023 HydrophobicContact CB-CD1 3.99Å; L997-L1023 HydrophobicContact CB-CD2 4.47Å; L997-L1023 HydrophobicContact CD1-CD2 4.17Å
998	Q	89.8	Confident	87.5	Confident	46 Å²	46	48.7 Å²	48.7	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-43.4	173.5	-169.6	70	-0.6	0	0	111.3	T994 R995 T996 M1000 C1001 T1002 L1023 L1048	T994-Q998 PolarHBondContact O-N 3.14Å; R995-Q998 PolarHBondContact O-N 2.97Å; T996-Q998 VanDerWaalsContact C-N 3.35Å; T996-Q998 PolarHBondContact O-N 3.01Å; Q998-M1000 VanDerWaalsContact C-N 3.31Å; Q998-M1000 PolarHBondContact O-N 3.31Å; Q998-C1001 WeakPolarHBondContact O-CB 3.27Å; Q998-C1001 PolarHBondContact O-N 2.93Å; Q998-T1002 PolarHBondContact O-N 2.85Å; Q998-T1002 PolarHBondContact O-OG1 3.44Å; Q998-L1023 HydrophobicContact CB-CD1 4.36Å; Q998-L1048 HydrophobicContact CB-CD2 4.07Å; Q998-L1048 HydrophobicContact CG-CD2 3.83Å
999	N	88.9	Confident	86.6	Confident	22 Å²	22	46.3 Å²	46.3	12%	0.118	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-38.9	174.6	-66.9	-8.2	0	0	0	111.6	R995 T996 T1002 Q1003 L1053	R995-N999 PolarHBondContact O-N 2.83Å; R995-N999 PolarHBondContact O-OD1 2.88Å; T996-N999 PolarHBondContact O-N 2.78Å; N999-T1002 WeakPolarHBondContact O-CB 3.01Å; N999-T1002 PolarHBondContact O-N 3.38Å; N999-Q1003 PolarHBondContact O-N 3.31Å; N999-L1053 HydrophobicContact CB-CD2 4.23Å
1000	M	87.4	Confident	85.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-46.8	172.2	-178.8	-176	69.3	0	0	111.4	L941 L950 A953 I954 T996 L997 Q998 T1002 Q1003 L1004 L1053	L941-M1000 HydrophobicContact CD1-SD 4.05Å; L950-M1000 HydrophobicContact CD2-CG 4.06Å; L950-M1000 HydrophobicContact CD2-SD 4.18Å; A953-M1000 HydrophobicContact CB-CE 4.3Å; A953-M1000 HydrophobicContact CB-SD 3.75Å; I954-M1000 HydrophobicContact CB-CE 3.84Å; I954-M1000 HydrophobicContact CG1-CE 4.23Å; T996-M1000 PolarHBondContact O-N 3.42Å; L997-M1000 HydrophobicContact CD2-CE 3.65Å; L997-M1000 HydrophobicContact CD2-SD 4.42Å; L997-M1000 WeakPolarHBondContact O-CB 3.5Å; L997-M1000 PolarHBondContact O-N 2.71Å; Q998-M1000 VanDerWaalsContact C-N 3.31Å; Q998-M1000 PolarHBondContact O-N 3.31Å; M1000-T1002 VanDerWaalsContact C-N 3.28Å; M1000-T1002 PolarHBondContact O-N 3.42Å; M1000-Q1003 PolarHBondContact O-N 3.29Å; M1000-L1004 HydrophobicContact CG-CD1 4.08Å; M1000-L1004 HydrophobicContact CG-CG 4.49Å; M1000-L1004 WeakPolarHBondContact O-CG 3.25Å; M1000-L1004 PolarHBondContact O-N 3.49Å; M1000-L1053 HydrophobicContact CB-CD1 4.25Å; M1000-L1053 HydrophobicContact CB-CD2 4.03Å; M1000-L1053 HydrophobicContact CB-CG 4.34Å; M1000-L1053 HydrophobicContact CG-CD1 4.35Å
1001	C	87.6	Confident	84.9	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-40.8	176.5	-71.5	0	0	0	0	111.9	L997 Q998 L1004 K1005 V1016 C1019	L997-C1001 PolarHBondContact O-N 2.91Å; L997-C1001 PolarHBondContact O-SG 3.47Å; Q998-C1001 WeakPolarHBondContact O-CB 3.27Å; Q998-C1001 PolarHBondContact O-N 2.93Å; C1001-L1004 PolarHBondContact O-N 3Å; C1001-K1005 WeakPolarHBondContact O-CG 3.44Å; C1001-K1005 PolarHBondContact O-N 2.97Å; C1001-K1005 VanDerWaalsContact O-N 3.14Å; C1001-V1016 HydrophobicContact CB-CG1 3.86Å; C1001-C1019 VanDerWaalsContact SG-SG 3.67Å
1002	T	85.8	Confident	84.3	Confident	19 Å²	19	52.2 Å²	52.2	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-44.3	176.1	-50.5	0	0	0	0	111.6	Q998 N999 M1000 K1005 A1006 T1050 I1058	Q998-T1002 PolarHBondContact O-N 2.85Å; Q998-T1002 PolarHBondContact O-OG1 3.44Å; N999-T1002 WeakPolarHBondContact O-CB 3.01Å; N999-T1002 PolarHBondContact O-N 3.38Å; M1000-T1002 VanDerWaalsContact C-N 3.28Å; M1000-T1002 PolarHBondContact O-N 3.42Å; T1002-K1005 PolarHBondContact O-N 2.81Å; T1002-A1006 PolarHBondContact O-N 2.98Å; T1002-T1050 HydrophobicContact CG2-CG2 3.35Å; T1002-I1058 HydrophobicContact CG2-CD1 3.46Å; T1002-I1058 VanDerWaalsContact CG2-CD1 3.46Å
1003	Q	84.2	Confident	83.8	Confident	21 Å²	21	50.5 Å²	50.5	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-39.9	176.1	179.3	172.4	-9.6	0	0	112.7	N999 M1000 K1005 A1006 N1007 N1052 L1053	N999-Q1003 PolarHBondContact O-N 3.31Å; M1000-Q1003 PolarHBondContact O-N 3.29Å; Q1003-K1005 VanDerWaalsContact C-N 3.29Å; Q1003-K1005 PolarHBondContact O-N 3.13Å; Q1003-A1006 PolarHBondContact O-N 3.27Å; Q1003-A1006 VanDerWaalsContact O-N 3.17Å; Q1003-N1007 WeakPolarHBondContact O-CB 3.23Å; Q1003-N1007 PolarHBondContact O-N 2.91Å; Q1003-N1007 PolarHBondContact O-OD1 3.24Å; Q1003-N1052 HydrophobicContact CB-CB 4.3Å; Q1003-L1053 VanDerWaalsContact OE1-CD1 3.23Å; Q1003-L1053 VanDerWaalsContact OE1-N 3.14Å
1004	L	84.7	Confident	83.4	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-36.1	176.9	-73.7	170.5	0	0	0	112.1	L950 I954 M1000 C1001 K1008 L1012 V1016	L950-L1004 HydrophobicContact CB-CD2 4.27Å; L950-L1004 HydrophobicContact CD1-CD2 4.21Å; I954-L1004 HydrophobicContact CB-CD1 4.26Å; I954-L1004 HydrophobicContact CD1-CD1 3.39Å; I954-L1004 HydrophobicContact CG1-CD1 4.37Å; M1000-L1004 HydrophobicContact CG-CD1 4.08Å; M1000-L1004 HydrophobicContact CG-CG 4.49Å; M1000-L1004 WeakPolarHBondContact O-CG 3.25Å; M1000-L1004 PolarHBondContact O-N 3.49Å; C1001-L1004 PolarHBondContact O-N 3Å; L1004-K1008 PolarHBondContact O-N 2.97Å; L1004-L1012 HydrophobicContact CD2-CB 4.05Å; L1004-L1012 HydrophobicContact CD2-CD1 3.61Å; L1004-L1012 HydrophobicContact CD2-CG 4.49Å; L1004-V1016 HydrophobicContact CB-CG2 4.32Å
1005	K	80	Confident	83.1	Confident	113 Å²	113	58.5 Å²	58.5	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-43.8	170.8	-72.1	-171.2	176.6	-153.9	0	111.9	C1001 T1002 Q1003 N1007 K1008 V1016	C1001-K1005 WeakPolarHBondContact O-CG 3.44Å; C1001-K1005 PolarHBondContact O-N 2.97Å; C1001-K1005 VanDerWaalsContact O-N 3.14Å; T1002-K1005 PolarHBondContact O-N 2.81Å; Q1003-K1005 VanDerWaalsContact C-N 3.29Å; Q1003-K1005 PolarHBondContact O-N 3.13Å; K1005-N1007 VanDerWaalsContact C-N 3.33Å; K1005-N1007 PolarHBondContact O-N 2.86Å; K1005-K1008 PolarHBondContact O-N 3.08Å; K1005-V1016 HydrophobicContact CG-CG1 4.48Å
1006	A	77.8	Confident	83	Confident	53 Å²	53	52.9 Å²	52.9	44%	0.438	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-36.1	178.1	0	0	0	0	0	112.7	T1002 Q1003 K1008 I1058	T1002-A1006 PolarHBondContact O-N 2.98Å; Q1003-A1006 PolarHBondContact O-N 3.27Å; Q1003-A1006 VanDerWaalsContact O-N 3.17Å; A1006-K1008 VanDerWaalsContact C-N 3.25Å; A1006-K1008 PolarHBondContact O-N 3.32Å; A1006-I1058 HydrophobicContact CB-CD1 4.12Å
1007	N	77.6	Confident	82.9	Confident	97 Å²	97	56 Å²	56	52%	0.519	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9	179.8	-75.1	4.9	0	0	0	114.2	Q1003 K1005 D1009	Q1003-N1007 WeakPolarHBondContact O-CB 3.23Å; Q1003-N1007 PolarHBondContact O-N 2.91Å; Q1003-N1007 PolarHBondContact O-OD1 3.24Å; K1005-N1007 VanDerWaalsContact C-N 3.33Å; K1005-N1007 PolarHBondContact O-N 2.86Å; N1007-D1009 PolarHBondContact O-N 3.42Å; N1007-D1009 VanDerWaalsContact O-N 3.11Å
1008	K	73.5	Confident	82.8	Confident	172 Å²	172	60 Å²	60	75%	0.748	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	26.8	-179.4	-58.4	-173.9	-179	-178	0	115.1	L1004 K1005 A1006 K1010	L1004-K1008 PolarHBondContact O-N 2.97Å; K1005-K1008 PolarHBondContact O-N 3.08Å; A1006-K1008 VanDerWaalsContact C-N 3.25Å; A1006-K1008 PolarHBondContact O-N 3.32Å; K1008-K1010 PolarHBondContact O-N 3.09Å
1009	D	71.5	Confident	82.8	Confident	45 Å²	45	57.9 Å²	57.9	24%	0.241	30%	0.295	C	S	.	.			trans	-74.2	93.3	175.7	-172	-23.6	0	0	0	110.2	N1007 T1011 L1012 I1013	N1007-D1009 PolarHBondContact O-N 3.42Å; N1007-D1009 VanDerWaalsContact O-N 3.11Å; D1009-T1011 PolarHBondContact O-N 3.02Å; D1009-T1011 PolarHBondContact OD1-N 3.49Å; D1009-T1011 VanDerWaalsContact OD1-N 3.14Å; D1009-T1011 PolarHBondContact OD1-OG1 3.29Å; D1009-L1012 HydrophobicContact CB-CB 4.32Å; D1009-L1012 HydrophobicContact CB-CD1 4.46Å; D1009-L1012 HydrophobicContact CB-CG 4.44Å; D1009-L1012 PolarHBondContact O-N 3.37Å; D1009-L1012 WeakPolarHBondContact OD2-CD1 3.36Å; D1009-I1013 VanDerWaalsContact O-CG1 3.26Å; D1009-I1013 WeakPolarHBondContact O-CG1 3.12Å; D1009-I1013 PolarHBondContact O-N 2.94Å
1010	K	75.7	Confident	82.9	Confident	190 Å²	190	59.1 Å²	59.1	83%	0.826	30%	0.3	S	S	*	.	H	α-helix	trans	-50.3	-34.1	-177.6	-65.8	-174.2	179	-176.4	0	112.5	K1008 L1012	K1008-K1010 PolarHBondContact O-N 3.09Å; K1010-L1012 PolarHBondContact O-N 2.83Å
1011	T	74.6	Confident	83.2	Confident	70 Å²	70	67.9 Å²	67.9	43%	0.429	33%	0.333	S	S	.	.	H	α-helix	trans	-72.2	-29.8	-177.5	72.7	0	0	0	0	113.5	R951 D1009	R951-T1011 PolarHBondContact NH2-OG1 3.48Å; R951-T1011 VanDerWaalsContact NH2-OG1 3.13Å; D1009-T1011 PolarHBondContact O-N 3.02Å; D1009-T1011 PolarHBondContact OD1-N 3.49Å; D1009-T1011 VanDerWaalsContact OD1-N 3.14Å; D1009-T1011 PolarHBondContact OD1-OG1 3.29Å
1012	L	77.7	Confident	83.5	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-96.2	-30	-177.3	-63.2	-175.6	0	0	0	112.6	R951 L1004 D1009 K1010 K1014 F1015	R951-L1012 HydrophobicContact CB-CD1 4.43Å; R951-L1012 HydrophobicContact CB-CD2 3.6Å; R951-L1012 HydrophobicContact CG-CD2 3.55Å; L1004-L1012 HydrophobicContact CD2-CB 4.05Å; L1004-L1012 HydrophobicContact CD2-CD1 3.61Å; L1004-L1012 HydrophobicContact CD2-CG 4.49Å; D1009-L1012 HydrophobicContact CB-CB 4.32Å; D1009-L1012 HydrophobicContact CB-CD1 4.46Å; D1009-L1012 HydrophobicContact CB-CG 4.44Å; D1009-L1012 PolarHBondContact O-N 3.37Å; D1009-L1012 WeakPolarHBondContact OD2-CD1 3.36Å; K1010-L1012 PolarHBondContact O-N 2.83Å; L1012-K1014 PolarHBondContact O-N 3.04Å; L1012-F1015 PolarHBondContact O-N 2.72Å
1013	I	82.3	Confident	83.8	Confident	55 Å²	55	68.1 Å²	68.1	28%	0.282	33%	0.334	S	S	.	.	H	α-helix	trans	-58.4	-32.5	-178.4	-73.5	167	0	0	0	111.9	D1009 F1015 V1016 P1017	D1009-I1013 VanDerWaalsContact O-CG1 3.26Å; D1009-I1013 WeakPolarHBondContact O-CG1 3.12Å; D1009-I1013 PolarHBondContact O-N 2.94Å; I1013-F1015 PolarHBondContact O-N 2.84Å; I1013-V1016 VanDerWaalsContact O-CB 3.3Å; I1013-V1016 WeakPolarHBondContact O-CB 3.39Å; I1013-V1016 PolarHBondContact O-N 3.07Å; I1013-P1017 WeakPolarHBondContact O-CD 3.36Å
1014	K	85.7	Confident	84.1	Confident	127 Å²	127	71.9 Å²	71.9	55%	0.552	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.9	177	70	-177.3	-178.7	178.1	0	114.9	L1012	L1012-K1014 PolarHBondContact O-N 3.04Å
1015	F	86.8	Confident	84.4	Confident	58 Å²	58	76.4 Å²	76.4	25%	0.254	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-11.4	177.5	-60.6	-73.7	0	0	0	113.1	I954 K955 L1012 I1013 C1019	I954-F1015 HydrophobicContact CD1-CB 3.98Å; I954-F1015 HydrophobicContact CG1-CB 3.85Å; I954-F1015 HydrophobicContact CG2-CB 4.16Å; K955-F1015 HydrophobicContact CD-CZ 4.39Å; K955-F1015 VanDerWaalsContact CE-CE2 3.45Å; K955-F1015 HydrophobicContact CG-CD1 4.24Å; K955-F1015 HydrophobicContact CG-CD2 4.36Å; K955-F1015 HydrophobicContact CG-CE1 4.23Å; K955-F1015 HydrophobicContact CG-CE2 4.35Å; K955-F1015 HydrophobicContact CG-CG 4.32Å; K955-F1015 HydrophobicContact CG-CZ 4.3Å; L1012-F1015 PolarHBondContact O-N 2.72Å; I1013-F1015 PolarHBondContact O-N 2.84Å; F1015-C1019 PolarHBondContact O-N 3.31Å; F1015-C1019 VanDerWaalsContact O-N 3.14Å
1016	V	88.3	Confident	85	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-64.4	-45.2	-177.3	175.2	0	0	0	0	112.9	I954 C1001 L1004 K1005 I1013 T1018 C1019 K1020	I954-V1016 HydrophobicContact CD1-CB 4.39Å; I954-V1016 HydrophobicContact CD1-CG2 3.58Å; C1001-V1016 HydrophobicContact CB-CG1 3.86Å; L1004-V1016 HydrophobicContact CB-CG2 4.32Å; K1005-V1016 HydrophobicContact CG-CG1 4.48Å; I1013-V1016 VanDerWaalsContact O-CB 3.3Å; I1013-V1016 WeakPolarHBondContact O-CB 3.39Å; I1013-V1016 PolarHBondContact O-N 3.07Å; V1016-T1018 PolarHBondContact O-N 2.83Å; V1016-C1019 PolarHBondContact O-N 3.29Å; V1016-K1020 HydrophobicContact CG1-CD 4.24Å; V1016-K1020 HydrophobicContact CG1-CG 4.27Å; V1016-K1020 WeakPolarHBondContact O-CG 3.46Å; V1016-K1020 PolarHBondContact O-N 3.17Å
1017	P	89.1	Confident	85.5	Confident	84 Å²	84	71.5 Å²	71.5	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-58.4	-46.5	178.8	-25.2	35.3	0	0	0	112.8	I1013 C1019 K1020 R1021	I1013-P1017 WeakPolarHBondContact O-CD 3.36Å; P1017-C1019 PolarHBondContact O-N 3.29Å; P1017-K1020 PolarHBondContact O-N 2.77Å; P1017-R1021 WeakPolarHBondContact O-CB 3.4Å; P1017-R1021 PolarHBondContact O-N 3.47Å
1018	T	88.9	Confident	86	Confident	85 Å²	85	73.2 Å²	73.2	52%	0.521	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-45.8	178.1	-51.7	0	0	0	0	111.3	V1016 R1021 T1022	V1016-T1018 PolarHBondContact O-N 2.83Å; T1018-R1021 PolarHBondContact O-N 2.71Å; T1018-T1022 PolarHBondContact O-N 2.72Å; T1018-T1022 VanDerWaalsContact O-N 3.11Å; T1018-T1022 PolarHBondContact O-OG1 3.46Å; T1018-T1022 VanDerWaalsContact O-OG1 3.12Å
1019	C	91.4	Very high	86.8	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-49.8	176.8	-177.4	0	0	0	0	111.3	I954 P958 C1001 F1015 V1016 P1017 R1021 T1022 L1023	I954-C1019 HydrophobicContact CG1-CB 4.22Å; P958-C1019 HydrophobicContact CG-CB 3.92Å; C1001-C1019 VanDerWaalsContact SG-SG 3.67Å; F1015-C1019 PolarHBondContact O-N 3.31Å; F1015-C1019 VanDerWaalsContact O-N 3.14Å; V1016-C1019 PolarHBondContact O-N 3.29Å; P1017-C1019 PolarHBondContact O-N 3.29Å; C1019-R1021 PolarHBondContact O-N 3.46Å; C1019-T1022 PolarHBondContact O-N 3.07Å; C1019-L1023 WeakPolarHBondContact O-CG 3.27Å; C1019-L1023 PolarHBondContact O-N 3.4Å
1020	K	91.1	Very high	87.5	Confident	49 Å²	49	67.3 Å²	67.3	21%	0.213	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-45.4	178.9	-75	-167.3	171.9	-157.6	0	112.7	V1016 P1017 T1022 L1023 E1024	V1016-K1020 HydrophobicContact CG1-CD 4.24Å; V1016-K1020 HydrophobicContact CG1-CG 4.27Å; V1016-K1020 WeakPolarHBondContact O-CG 3.46Å; V1016-K1020 PolarHBondContact O-N 3.17Å; P1017-K1020 PolarHBondContact O-N 2.77Å; K1020-T1022 VanDerWaalsContact C-N 3.3Å; K1020-T1022 PolarHBondContact O-N 3.17Å; K1020-L1023 PolarHBondContact O-N 3.21Å; K1020-L1023 VanDerWaalsContact O-N 3.09Å; K1020-E1024 WeakPolarHBondContact O-CG 3.49Å; K1020-E1024 PolarHBondContact O-N 3.42Å
1021	R	92.3	Very high	87.9	Confident	183 Å²	183	62.5 Å²	62.5	69%	0.691	30%	0.299	S	S	*	.	H	α-helix	trans	-56	-45.1	176.7	-177.6	-178.9	-77.7	161.6	-6.2	111.3	P1017 T1018 C1019 L1023 E1024 E1025	P1017-R1021 WeakPolarHBondContact O-CB 3.4Å; P1017-R1021 PolarHBondContact O-N 3.47Å; T1018-R1021 PolarHBondContact O-N 2.71Å; C1019-R1021 PolarHBondContact O-N 3.46Å; R1021-L1023 PolarHBondContact O-N 2.75Å; R1021-E1024 PolarHBondContact O-N 3.41Å; R1021-E1025 WeakPolarHBondContact O-CB 2.76Å; R1021-E1025 PolarHBondContact O-N 2.96Å
1022	T	93.8	Very high	88.5	Confident	14 Å²	14	61.5 Å²	61.5	9%	0.086	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-38	176.9	-56.8	0	0	0	0	112.8	P958 V961 T962 T1018 C1019 K1020 F1026	P958-T1022 HydrophobicContact CB-CG2 4.23Å; P958-T1022 WeakPolarHBondContact O-CG2 3.48Å; V961-T1022 HydrophobicContact CB-CG2 3.9Å; V961-T1022 HydrophobicContact CG1-CG2 3.89Å; T962-T1022 VanDerWaalsContact OG1-CG2 3.24Å; T962-T1022 WeakPolarHBondContact OG1-CG2 3.41Å; T1018-T1022 PolarHBondContact O-N 2.72Å; T1018-T1022 VanDerWaalsContact O-N 3.11Å; T1018-T1022 PolarHBondContact O-OG1 3.46Å; T1018-T1022 VanDerWaalsContact O-OG1 3.12Å; C1019-T1022 PolarHBondContact O-N 3.07Å; K1020-T1022 VanDerWaalsContact C-N 3.3Å; K1020-T1022 PolarHBondContact O-N 3.17Å; T1022-F1026 PolarHBondContact O-N 3.32Å; T1022-F1026 VanDerWaalsContact O-N 3.1Å
1023	L	93.2	Very high	88.8	Confident	10 Å²	10	61.5 Å²	61.5	5%	0.052	30%	0.298	C	S	.	.	H	α-helix	trans	-68.1	-38.9	176.3	-61	-176.9	0	0	0	111.8	V961 T994 L997 Q998 C1019 K1020 R1021 F1026 V1027	V961-L1023 HydrophobicContact CG1-CD2 4.37Å; V961-L1023 HydrophobicContact CG2-CD2 4.19Å; T994-L1023 HydrophobicContact CG2-CD2 3.72Å; L997-L1023 HydrophobicContact CB-CD1 3.99Å; L997-L1023 HydrophobicContact CB-CD2 4.47Å; L997-L1023 HydrophobicContact CD1-CD2 4.17Å; Q998-L1023 HydrophobicContact CB-CD1 4.36Å; C1019-L1023 WeakPolarHBondContact O-CG 3.27Å; C1019-L1023 PolarHBondContact O-N 3.4Å; K1020-L1023 PolarHBondContact O-N 3.21Å; K1020-L1023 VanDerWaalsContact O-N 3.09Å; R1021-L1023 PolarHBondContact O-N 2.75Å; L1023-F1026 WeakPolarHBondContact O-CB 3.48Å; L1023-F1026 PolarHBondContact O-N 2.71Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.38Å; L1023-V1027 PolarHBondContact O-N 2.61Å; L1023-V1027 VanDerWaalsContact O-N 3.15Å
1024	E	90.4	Very high	88.7	Confident	101 Å²	101	60 Å²	60	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-66.1	-46	175.7	-73.2	168.1	-164.5	0	0	111.4	K1020 R1021 F1026 V1027 F1028	K1020-E1024 WeakPolarHBondContact O-CG 3.49Å; K1020-E1024 PolarHBondContact O-N 3.42Å; R1021-E1024 PolarHBondContact O-N 3.41Å; E1024-F1026 VanDerWaalsContact C-N 3.3Å; E1024-F1026 PolarHBondContact O-N 2.55Å; E1024-V1027 WeakPolarHBondContact O-CB 3.2Å; E1024-V1027 PolarHBondContact O-N 2.61Å; E1024-F1028 HydrophobicContact CB-CD2 4.44Å; E1024-F1028 HydrophobicContact CB-CE2 4.22Å; E1024-F1028 WeakPolarHBondContact O-CD2 3.24Å; E1024-F1028 PolarHBondContact O-N 2.85Å
1025	E	91.6	Very high	88.6	Confident	96 Å²	96	56.4 Å²	56.4	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-56.2	-43.5	175	-173.9	-179.1	-178.9	0	0	111.7	R1021 V1027 F1028 R1029	R1021-E1025 WeakPolarHBondContact O-CB 2.76Å; R1021-E1025 PolarHBondContact O-N 2.96Å; E1025-V1027 PolarHBondContact O-N 2.58Å; E1025-F1028 PolarHBondContact O-N 2.71Å; E1025-R1029 WeakPolarHBondContact O-CB 3.48Å; E1025-R1029 PolarHBondContact O-N 3.25Å
1026	F	92.2	Very high	88.4	Confident	11 Å²	11	57 Å²	57	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-48.5	172.7	166.4	-102.6	0	0	0	111.8	V961 F964 I969 M990 T994 T1022 L1023 E1024 F1028 R1029 V1030	V961-F1026 HydrophobicContact CG1-CB 3.78Å; V961-F1026 HydrophobicContact CG1-CD2 4.47Å; V961-F1026 HydrophobicContact CG1-CG 4.17Å; F964-F1026 HydrophobicContact CD1-CD2 4.42Å; F964-F1026 AromaticContact CD1-CE2 3.98Å; F964-F1026 HydrophobicContact CD1-CE2 3.98Å; F964-F1026 AromaticContact CE1-CE2 3.9Å; F964-F1026 HydrophobicContact CE1-CE2 3.9Å; I969-F1026 HydrophobicContact CD1-CD2 3.98Å; I969-F1026 HydrophobicContact CD1-CE2 4.13Å; M990-F1026 HydrophobicContact CB-CE2 4.44Å; M990-F1026 HydrophobicContact CB-CZ 3.86Å; T994-F1026 HydrophobicContact CG2-CD1 3.9Å; T994-F1026 HydrophobicContact CG2-CE1 4Å; T1022-F1026 PolarHBondContact O-N 3.32Å; T1022-F1026 VanDerWaalsContact O-N 3.1Å; L1023-F1026 WeakPolarHBondContact O-CB 3.48Å; L1023-F1026 PolarHBondContact O-N 2.71Å; E1024-F1026 VanDerWaalsContact C-N 3.3Å; E1024-F1026 PolarHBondContact O-N 2.55Å; F1026-F1028 PolarHBondContact O-N 3.06Å; F1026-R1029 PolarHBondContact O-N 2.83Å; F1026-V1030 HydrophobicContact CD2-CG2 4.06Å; F1026-V1030 HydrophobicContact CE1-CG2 4.24Å; F1026-V1030 HydrophobicContact CE2-CG2 3.61Å; F1026-V1030 HydrophobicContact CZ-CG2 3.71Å; F1026-V1030 VanDerWaalsContact O-CG2 3.31Å; F1026-V1030 WeakPolarHBondContact O-CG2 3.19Å; F1026-V1030 PolarHBondContact O-N 2.7Å
1027	V	88.2	Confident	87.9	Confident	53 Å²	53	58.2 Å²	58.2	32%	0.321	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-44.5	178.8	173.7	0	0	0	0	111.2	L1023 E1024 E1025 R1029 V1030 K1031 I1045	L1023-V1027 WeakPolarHBondContact O-CG2 3.38Å; L1023-V1027 PolarHBondContact O-N 2.61Å; L1023-V1027 VanDerWaalsContact O-N 3.15Å; E1024-V1027 WeakPolarHBondContact O-CB 3.2Å; E1024-V1027 PolarHBondContact O-N 2.61Å; E1025-V1027 PolarHBondContact O-N 2.58Å; V1027-R1029 VanDerWaalsContact C-N 3.34Å; V1027-R1029 PolarHBondContact O-N 3.5Å; V1027-V1030 PolarHBondContact O-N 3.18Å; V1027-K1031 WeakPolarHBondContact O-CB 3.24Å; V1027-K1031 PolarHBondContact O-N 3.05Å; V1027-I1045 HydrophobicContact CG1-CD1 4.07Å; V1027-I1045 HydrophobicContact CG1-CG1 4.4Å
1028	F	88.6	Confident	87.4	Confident	132 Å²	132	63.3 Å²	63.3	58%	0.579	32%	0.319	S	S	*	.	H	α-helix	trans	-63.1	-39.3	176.7	-73.1	-61.3	0	0	0	112.2	E1024 E1025 F1026 K1031 A1032	E1024-F1028 HydrophobicContact CB-CD2 4.44Å; E1024-F1028 HydrophobicContact CB-CE2 4.22Å; E1024-F1028 WeakPolarHBondContact O-CD2 3.24Å; E1024-F1028 PolarHBondContact O-N 2.85Å; E1025-F1028 PolarHBondContact O-N 2.71Å; F1026-F1028 PolarHBondContact O-N 3.06Å; F1028-K1031 WeakPolarHBondContact O-CB 3.34Å; F1028-K1031 PolarHBondContact O-N 3.07Å; F1028-A1032 PolarHBondContact O-N 3.08Å
1029	R	88.8	Confident	86.7	Confident	81 Å²	81	61.4 Å²	61.4	31%	0.306	31%	0.309	S	S	.	.	H	α-helix	trans	-68.8	-38.6	178.5	-166.3	66	178.6	94.1	-3.9	112.4	T965 I969 E1025 F1026 V1027 K1031 A1032 M1033	T965-R1029 HydrophobicContact CG2-CB 3.78Å; T965-R1029 HydrophobicContact CG2-CG 3.85Å; I969-R1029 HydrophobicContact CB-CG 4.44Å; I969-R1029 HydrophobicContact CD1-CB 3.95Å; I969-R1029 HydrophobicContact CD1-CG 3.77Å; I969-R1029 HydrophobicContact CG2-CG 4Å; E1025-R1029 WeakPolarHBondContact O-CB 3.48Å; E1025-R1029 PolarHBondContact O-N 3.25Å; F1026-R1029 PolarHBondContact O-N 2.83Å; V1027-R1029 VanDerWaalsContact C-N 3.34Å; V1027-R1029 PolarHBondContact O-N 3.5Å; R1029-K1031 VanDerWaalsContact C-N 3.32Å; R1029-A1032 PolarHBondContact O-N 3.27Å; R1029-M1033 PolarHBondContact O-N 3.19Å
1030	V	86.7	Confident	85.8	Confident	12 Å²	12	65.1 Å²	65.1	7%	0.073	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-37.2	172.3	178	0	0	0	0	110.6	I969 L987 F1026 V1027 M1033 M1034 M1043	I969-V1030 HydrophobicContact CD1-CG2 3.9Å; L987-V1030 HydrophobicContact CD2-CG2 4.34Å; F1026-V1030 HydrophobicContact CD2-CG2 4.06Å; F1026-V1030 HydrophobicContact CE1-CG2 4.24Å; F1026-V1030 HydrophobicContact CE2-CG2 3.61Å; F1026-V1030 HydrophobicContact CZ-CG2 3.71Å; F1026-V1030 VanDerWaalsContact O-CG2 3.31Å; F1026-V1030 WeakPolarHBondContact O-CG2 3.19Å; F1026-V1030 PolarHBondContact O-N 2.7Å; V1027-V1030 PolarHBondContact O-N 3.18Å; V1030-M1033 HydrophobicContact CG1-CE 4.21Å; V1030-M1033 PolarHBondContact O-N 3.29Å; V1030-M1034 HydrophobicContact CG1-CE 4.05Å; V1030-M1034 PolarHBondContact O-N 3.11Å; V1030-M1043 HydrophobicContact CB-CE 4.01Å; V1030-M1043 HydrophobicContact CG1-CE 3.63Å
1031	K	85	Confident	84.8	Confident	89 Å²	89	70.8 Å²	70.8	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-44.9	174.6	-173.9	-178.8	-178.7	-178.2	0	111.6	V1027 F1028 R1029 M1034 A1035 L1040 M1043 I1045	V1027-K1031 WeakPolarHBondContact O-CB 3.24Å; V1027-K1031 PolarHBondContact O-N 3.05Å; F1028-K1031 WeakPolarHBondContact O-CB 3.34Å; F1028-K1031 PolarHBondContact O-N 3.07Å; R1029-K1031 VanDerWaalsContact C-N 3.32Å; K1031-M1034 PolarHBondContact O-N 3.39Å; K1031-A1035 WeakPolarHBondContact O-CB 3.41Å; K1031-A1035 PolarHBondContact O-N 3.47Å; K1031-L1040 HydrophobicContact CG-CD1 4.01Å; K1031-M1043 HydrophobicContact CB-CE 3.73Å; K1031-M1043 HydrophobicContact CB-SD 3.61Å; K1031-M1043 HydrophobicContact CD-SD 4.45Å; K1031-M1043 HydrophobicContact CG-CE 4.48Å; K1031-M1043 HydrophobicContact CG-SD 3.72Å; K1031-I1045 HydrophobicContact CD-CD1 4.09Å
1032	A	85.6	Confident	83.5	Confident	50 Å²	50	66 Å²	66	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-44.6	176.6	0	0	0	0	0	112	F1028 R1029 M1034 A1035 A1036	F1028-A1032 PolarHBondContact O-N 3.08Å; R1029-A1032 PolarHBondContact O-N 3.27Å; A1032-M1034 PolarHBondContact O-N 3.34Å; A1032-A1035 PolarHBondContact O-N 2.84Å; A1032-A1036 PolarHBondContact O-N 3.41Å
1033	M	84.3	Confident	82	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-60.1	-44.5	175.1	179	-169.6	73.2	0	0	111.8	I969 L972 D973 F976 L987 R1029 V1030 A1036 N1037	I969-M1033 HydrophobicContact CG2-CB 4.21Å; I969-M1033 HydrophobicContact CG2-CG 4.46Å; I969-M1033 HydrophobicContact CG2-SD 3.86Å; L972-M1033 HydrophobicContact CB-SD 3.76Å; D973-M1033 HydrophobicContact CB-CG 3.85Å; D973-M1033 HydrophobicContact CB-SD 4.41Å; D973-M1033 WeakPolarHBondContact OD1-CG 3Å; F976-M1033 HydrophobicContact CD2-CE 4.22Å; F976-M1033 HydrophobicContact CD2-SD 4.35Å; F976-M1033 HydrophobicContact CE2-CE 3.95Å; L987-M1033 HydrophobicContact CD1-CE 3.79Å; L987-M1033 HydrophobicContact CD2-CE 4.42Å; R1029-M1033 PolarHBondContact O-N 3.19Å; V1030-M1033 HydrophobicContact CG1-CE 4.21Å; V1030-M1033 PolarHBondContact O-N 3.29Å; M1033-A1036 PolarHBondContact O-N 3.34Å; M1033-N1037 PolarHBondContact O-N 3.49Å; M1033-N1037 VanDerWaalsContact O-N 3.15Å; M1033-N1037 PolarHBondContact O-ND2 3.05Å
1034	M	81.8	Confident	80.7	Confident	24 Å²	24	75.4 Å²	75.4	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-70	-32.4	178.3	-72.8	-155.7	-82	0	0	113.4	F976 V1030 K1031 A1032 N1037 K1038 C1039 M1043	F976-M1034 HydrophobicContact CZ-CG 4.47Å; V1030-M1034 HydrophobicContact CG1-CE 4.05Å; V1030-M1034 PolarHBondContact O-N 3.11Å; K1031-M1034 PolarHBondContact O-N 3.39Å; A1032-M1034 PolarHBondContact O-N 3.34Å; M1034-N1037 CarbonylContact O-C 3.55Å; M1034-N1037 PolarHBondContact O-N 3.46Å; M1034-K1038 PolarHBondContact O-N 2.92Å; M1034-C1039 PolarHBondContact O-N 3.39Å; M1034-M1043 HydrophobicContact CE-CB 3.31Å; M1034-M1043 HydrophobicContact CE-CE 3Å; M1034-M1043 HydrophobicContact CE-CG 3.32Å; M1034-M1043 HydrophobicContact CE-SD 3.64Å; M1034-M1043 HydrophobicContact SD-CB 4.29Å
1035	A	83.6	Confident	79.5	Confident	52 Å²	52	75.3 Å²	75.3	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-65.1	-43.6	172.4	0	0	0	0	0	111.5	K1031 A1032 N1037 K1038 L1040	K1031-A1035 WeakPolarHBondContact O-CB 3.41Å; K1031-A1035 PolarHBondContact O-N 3.47Å; A1032-A1035 PolarHBondContact O-N 2.84Å; A1035-N1037 PolarHBondContact O-N 3.16Å; A1035-K1038 PolarHBondContact O-N 2.99Å; A1035-K1038 VanDerWaalsContact O-N 3.15Å; A1035-L1040 HydrophobicContact CB-CD1 4.18Å
1036	A	81.1	Confident	78	Confident	69 Å²	69	74.1 Å²	74.1	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-59.4	-37	176.6	0	0	0	0	0	112.1	A1032 M1033	A1032-A1036 PolarHBondContact O-N 3.41Å; M1033-A1036 PolarHBondContact O-N 3.34Å
1037	N	79.1	Confident	76.5	Confident	27 Å²	27	81.6 Å²	81.6	14%	0.144	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	16.9	178.9	-67.7	-73.2	0	0	0	114.3	D973 F976 M1033 M1034 A1035 C1039	D973-N1037 PolarHBondContact OD1-ND2 2.92Å; F976-N1037 HydrophobicContact CB-CB 4.44Å; F976-N1037 WeakPolarHBondContact CB-OD1 3.15Å; F976-N1037 HydrophobicContact CD1-CB 3.32Å; F976-N1037 HydrophobicContact CE1-CB 3.63Å; F976-N1037 HydrophobicContact CG-CB 3.96Å; F976-N1037 HydrophobicContact CZ-CB 4.5Å; M1033-N1037 PolarHBondContact O-N 3.49Å; M1033-N1037 VanDerWaalsContact O-N 3.15Å; M1033-N1037 PolarHBondContact O-ND2 3.05Å; M1034-N1037 CarbonylContact O-C 3.55Å; M1034-N1037 PolarHBondContact O-N 3.46Å; A1035-N1037 PolarHBondContact O-N 3.16Å; N1037-C1039 PolarHBondContact O-N 3.49Å; N1037-C1039 PolarHBondContact O-SG 2.8Å
1038	K	78.2	Confident	75.1	Confident	192 Å²	192	82.5 Å²	82.5	84%	0.835	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	25.7	178.2	-56.6	176.2	-176.2	168.4	0	114.7	M1034 A1035	M1034-K1038 PolarHBondContact O-N 2.92Å; A1035-K1038 PolarHBondContact O-N 2.99Å; A1035-K1038 VanDerWaalsContact O-N 3.15Å
1039	C	73.5	Confident	73.7	Confident	45 Å²	45	82.8 Å²	82.8	30%	0.304	46%	0.456	S	S	.	.			trans	-109.3	25.7	-178.4	-70.1	0	0	0	0	112.9	F976 M1034 N1037 D1041 A1042	F976-C1039 HydrophobicContact CE1-CB 4.19Å; F976-C1039 HydrophobicContact CZ-CB 4.42Å; M1034-C1039 PolarHBondContact O-N 3.39Å; N1037-C1039 PolarHBondContact O-N 3.49Å; N1037-C1039 PolarHBondContact O-SG 2.8Å; C1039-D1041 PolarHBondContact O-N 3.4Å; C1039-A1042 WeakPolarHBondContact O-CB 3.21Å; C1039-A1042 PolarHBondContact O-N 2.96Å; C1039-A1042 VanDerWaalsContact O-N 3.1Å
1040	L	73.2	Confident	72.5	Confident	78 Å²	78	82.8 Å²	82.8	41%	0.408	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-60	-32.7	-176.1	-164.2	75.8	0	0	0	112.4	K1031 A1035 A1042 M1043	K1031-L1040 HydrophobicContact CG-CD1 4.01Å; A1035-L1040 HydrophobicContact CB-CD1 4.18Å; L1040-A1042 PolarHBondContact O-N 3.34Å; L1040-M1043 WeakPolarHBondContact O-CB 3.43Å; L1040-M1043 PolarHBondContact O-N 2.85Å
1041	D	70.2	Confident	71.7	Confident	168 Å²	168	86 Å²	86	90%	0.898	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-63.5	-22	179.2	-62.4	-21	0	0	0	113.4	C1039 M1043	C1039-D1041 PolarHBondContact O-N 3.4Å; D1041-M1043 VanDerWaalsContact C-N 3.26Å; D1041-M1043 PolarHBondContact O-N 3.38Å
1042	A	64.7	Low	71	Confident	83 Å²	83	82.8 Å²	82.8	69%	0.686	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-78	-12.2	175.1	0	0	0	0	0	112.8	C1039 L1040	C1039-A1042 WeakPolarHBondContact O-CB 3.21Å; C1039-A1042 PolarHBondContact O-N 2.96Å; C1039-A1042 VanDerWaalsContact O-N 3.1Å; L1040-A1042 PolarHBondContact O-N 3.34Å
1043	M	62.4	Low	70.3	Confident	42 Å²	42	81 Å²	81	21%	0.207	45%	0.447	C	S	.	.			trans	-98.7	117.9	-179.6	-163.1	-174.7	-114.3	0	0	111.2	V1030 K1031 M1034 L1040 D1041 I1045	V1030-M1043 HydrophobicContact CB-CE 4.01Å; V1030-M1043 HydrophobicContact CG1-CE 3.63Å; K1031-M1043 HydrophobicContact CB-CE 3.73Å; K1031-M1043 HydrophobicContact CB-SD 3.61Å; K1031-M1043 HydrophobicContact CD-SD 4.45Å; K1031-M1043 HydrophobicContact CG-CE 4.48Å; K1031-M1043 HydrophobicContact CG-SD 3.72Å; M1034-M1043 HydrophobicContact CE-CB 3.31Å; M1034-M1043 HydrophobicContact CE-CE 3Å; M1034-M1043 HydrophobicContact CE-CG 3.32Å; M1034-M1043 HydrophobicContact CE-SD 3.64Å; M1034-M1043 HydrophobicContact SD-CB 4.29Å; L1040-M1043 WeakPolarHBondContact O-CB 3.43Å; L1040-M1043 PolarHBondContact O-N 2.85Å; D1041-M1043 VanDerWaalsContact C-N 3.26Å; D1041-M1043 PolarHBondContact O-N 3.38Å; M1043-I1045 HydrophobicContact CG-CG1 4.32Å; M1043-I1045 HydrophobicContact SD-CD1 4.14Å; M1043-I1045 HydrophobicContact SD-CG1 4.1Å
1044	Q	66.3	Low	69.2	Low	178 Å²	178	87.3 Å²	87.3	83%	0.832	47%	0.474	S	S	*	.			trans	-114.1	112	165.2	-167.8	176.7	11.4	0	0	109.5
1045	I	65	Low	68.2	Low	100 Å²	100	88 Å²	88	51%	0.513	49%	0.487	S	S	.	.			trans	-84.8	112.8	168.9	-58.3	175.3	0	0	0	106.4	V1027 K1031 M1043	V1027-I1045 HydrophobicContact CG1-CD1 4.07Å; V1027-I1045 HydrophobicContact CG1-CG1 4.4Å; K1031-I1045 HydrophobicContact CD-CD1 4.09Å; M1043-I1045 HydrophobicContact CG-CG1 4.32Å; M1043-I1045 HydrophobicContact SD-CD1 4.14Å; M1043-I1045 HydrophobicContact SD-CG1 4.1Å
1046	A	58.9	Low	67.3	Low	71 Å²	71	90.7 Å²	90.7	59%	0.587	49%	0.491	S	S	*	.			trans	-114.8	148	177.2	0	0	0	0	0	110	L1048	A1046-L1048 PolarHBondContact O-N 2.82Å
1047	N	61.6	Low	66.3	Low	168 Å²	168	91.9 Å²	91.9	90%	0.898	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-64.6	123.6	172.2	-74.3	-13.1	0	0	0	109.4	K1049	N1047-K1049 PolarHBondContact O-N 3.33Å
1048	L	58.7	Low	65.2	Low	72 Å²	72	92.9 Å²	92.9	38%	0.377	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-72.9	125.3	178.4	-157.2	77.4	0	0	0	109	R995 Q998 A1046 T1050	R995-L1048 HydrophobicContact CG-CD1 3.97Å; R995-L1048 HydrophobicContact CG-CD2 4.06Å; Q998-L1048 HydrophobicContact CB-CD2 4.07Å; Q998-L1048 HydrophobicContact CG-CD2 3.83Å; A1046-L1048 PolarHBondContact O-N 2.82Å; L1048-T1050 PolarHBondContact O-N 3.39Å
1049	K	58.7	Low	63.6	Low	138 Å²	138	89.1 Å²	89.1	60%	0.6	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-56.8	133.5	169.3	-69.4	-172.5	175.9	-170	0	109.6	N1047 R1051	N1047-K1049 PolarHBondContact O-N 3.33Å; K1049-R1051 PolarHBondContact O-N 2.82Å
1050	T	63.8	Low	61.9	Low	81 Å²	81	92 Å²	92	50%	0.497	50%	0.503	S	S	.	.			trans	-67.3	93.9	-176.7	-34.7	0	0	0	0	109.8	T1002 L1048 I1058	T1002-T1050 HydrophobicContact CG2-CG2 3.35Å; L1048-T1050 PolarHBondContact O-N 3.39Å; T1050-I1058 PolarHBondContact O-N 3.09Å
1051	R	70.8	Confident	59.8	Low	78 Å²	78	93.5 Å²	93.5	29%	0.294	52%	0.521	S	S	.	.	B	Isolated β-bridge	trans	-116.5	148.6	-177.9	-71.2	179.2	179.8	-179.1	-1.8	112.1	K1049 E1056 D1057	K1049-R1051 PolarHBondContact O-N 2.82Å; R1051-E1056 VanDerWaalsContact CA-O 3.29Å; R1051-E1056 WeakPolarHBondContact CA-O 2.97Å; R1051-D1057 VanDerWaalsContact CG-OD1 3.24Å; R1051-D1057 WeakPolarHBondContact CG-OD1 3.42Å; R1051-D1057 IonicContact CZ-OD1 3.98Å; R1051-D1057 IonicContact NE-OD1 3.85Å; R1051-D1057 PolarHBondContact NE-OD1 2.79Å; R1051-D1057 IonicContact NH2-OD1 2.85Å
1052	N	69.1	Low	57.8	Low	23 Å²	23	90.5 Å²	90.5	12%	0.123	51%	0.513	C	S	.	.			trans	-81.1	176.8	165.8	69.2	14.5	0	0	0	111.4	Q1003 K1054 G1055 E1056 I1058	Q1003-N1052 HydrophobicContact CB-CB 4.3Å; N1052-K1054 PolarHBondContact O-N 2.81Å; N1052-K1054 WeakPolarHBondContact OD1-CA 3.4Å; N1052-K1054 WeakPolarHBondContact OD1-CB 3.25Å; N1052-K1054 PolarHBondContact OD1-N 3.33Å; N1052-G1055 PolarHBondContact O-N 3.45Å; N1052-G1055 PolarHBondContact OD1-N 3.34Å; N1052-E1056 PolarHBondContact N-O 3.46Å; N1052-E1056 PolarHBondContact ND2-OE2 3.12Å; N1052-E1056 PolarHBondContact OD1-N 3.21Å; N1052-E1056 PolarHBondContact OD1-O 3.02Å; N1052-I1058 HydrophobicContact CB-CD1 3.93Å; N1052-I1058 HydrophobicContact CB-CG1 4.23Å
1053	L	70.4	Confident	56	Low	12 Å²	12	91.8 Å²	91.8	6%	0.063	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.8	178.6	-70	170.1	0	0	0	113.8	L941 L950 T996 N999 M1000 Q1003	L941-L1053 HydrophobicContact CB-CD1 4.31Å; L941-L1053 HydrophobicContact CB-CD2 4.37Å; L950-L1053 HydrophobicContact CD2-CD1 3.83Å; T996-L1053 HydrophobicContact CG2-CD2 3.88Å; N999-L1053 HydrophobicContact CB-CD2 4.23Å; M1000-L1053 HydrophobicContact CB-CD1 4.25Å; M1000-L1053 HydrophobicContact CB-CD2 4.03Å; M1000-L1053 HydrophobicContact CB-CG 4.34Å; M1000-L1053 HydrophobicContact CG-CD1 4.35Å; Q1003-L1053 VanDerWaalsContact OE1-CD1 3.23Å; Q1003-L1053 VanDerWaalsContact OE1-N 3.14Å
1054	K	61.7	Low	54.4	Low	132 Å²	132	98.5 Å²	98.5	57%	0.574	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.1	172.6	-63.1	-175.7	177.7	-178.6	0	112.8	H945 N1052 E1056	H945-K1054 WeakPolarHBondContact NE2-CE 3.31Å; N1052-K1054 PolarHBondContact O-N 2.81Å; N1052-K1054 WeakPolarHBondContact OD1-CA 3.4Å; N1052-K1054 WeakPolarHBondContact OD1-CB 3.25Å; N1052-K1054 PolarHBondContact OD1-N 3.33Å; K1054-E1056 VanDerWaalsContact C-N 3.33Å; K1054-E1056 HydrophobicContact CB-CG 4.17Å
1055	G	60	Low	52.5	Low	38 Å²	38	97.4 Å²	97.4	39%	0.392	54%	0.538	S	S	.	.			trans	83	8.2	-177	0	0	0	0	0	114.2	N1052	N1052-G1055 PolarHBondContact O-N 3.45Å; N1052-G1055 PolarHBondContact OD1-N 3.34Å
1056	E	66.5	Low	50.6	Low	110 Å²	110	101.9 Å²	101.9	51%	0.514	56%	0.557	S	S	.	*			trans	-74.7	135.7	174.5	-57.4	161.1	172.6	0	0	108.9	R1051 N1052 K1054 I1058	R1051-E1056 VanDerWaalsContact CA-O 3.29Å; R1051-E1056 WeakPolarHBondContact CA-O 2.97Å; N1052-E1056 PolarHBondContact N-O 3.46Å; N1052-E1056 PolarHBondContact ND2-OE2 3.12Å; N1052-E1056 PolarHBondContact OD1-N 3.21Å; N1052-E1056 PolarHBondContact OD1-O 3.02Å; K1054-E1056 VanDerWaalsContact C-N 3.33Å; K1054-E1056 HydrophobicContact CB-CG 4.17Å; E1056-I1058 PolarHBondContact O-N 2.88Å
1057	D	60.2	Low	49	Very low	94 Å²	94	106.3 Å²	106.3	50%	0.503	57%	0.566	S	S	.	*	B	Isolated β-bridge	trans	-70.8	122.1	175.8	-68.4	-31.1	0	0	0	108.3	R1051 V1059	R1051-D1057 VanDerWaalsContact CG-OD1 3.24Å; R1051-D1057 WeakPolarHBondContact CG-OD1 3.42Å; R1051-D1057 IonicContact CZ-OD1 3.98Å; R1051-D1057 IonicContact NE-OD1 3.85Å; R1051-D1057 PolarHBondContact NE-OD1 2.79Å; R1051-D1057 IonicContact NH2-OD1 2.85Å; D1057-V1059 PolarHBondContact O-N 3.34Å
1058	I	54.5	Low	47.4	Very low	47 Å²	47	105.5 Å²	105.5	24%	0.241	56%	0.561	C	S	.	*			trans	-81.1	103.3	173.7	-63.7	161.7	0	0	0	106.3	T1002 A1006 T1050 N1052 E1056 P1060	T1002-I1058 HydrophobicContact CG2-CD1 3.46Å; T1002-I1058 VanDerWaalsContact CG2-CD1 3.46Å; A1006-I1058 HydrophobicContact CB-CD1 4.12Å; T1050-I1058 PolarHBondContact O-N 3.09Å; N1052-I1058 HydrophobicContact CB-CD1 3.93Å; N1052-I1058 HydrophobicContact CB-CG1 4.23Å; E1056-I1058 PolarHBondContact O-N 2.88Å; I1058-P1060 WeakPolarHBondContact O-CD 3.34Å
1059	V	44.3	Very low	45.7	Very low	114 Å²	114	109.4 Å²	109.4	69%	0.691	58%	0.583	S	S	*	*			trans	-64.1	124.3	164.1	-176.7	0	0	0	0	106.4	D1057 S1061	D1057-V1059 PolarHBondContact O-N 3.34Å; V1059-S1061 VanDerWaalsContact C-N 3.28Å; V1059-S1061 PolarHBondContact O-N 2.8Å
1060	P	37.7	Very low	44.2	Very low	104 Å²	104	106.6 Å²	106.6	68%	0.675	59%	0.592	S	S	*	*			trans	-64.2	91.1	175.1	25	-30.9	0	0	0	109.2	I1058 S1062	I1058-P1060 WeakPolarHBondContact O-CD 3.34Å; P1060-S1062 VanDerWaalsContact C-N 3.32Å; P1060-S1062 PolarHBondContact O-N 3.2Å
1061	S	30.1	Very low	42.3	Very low	111 Å²	111	107.7 Å²	107.7	78%	0.776	60%	0.603	S	S	*	*			trans	-77.6	83.2	176.2	59.4	0	0	0	0	109.6	V1059	V1059-S1061 VanDerWaalsContact C-N 3.28Å; V1059-S1061 PolarHBondContact O-N 2.8Å
1062	S	28.2	Very low	40.1	Very low	105 Å²	105	112.8 Å²	112.8	73%	0.734	63%	0.63	S	S	*	*			trans	160.7	62.6	153.5	61.6	0	0	0	0	108.5	P1060	P1060-S1062 VanDerWaalsContact C-N 3.32Å; P1060-S1062 PolarHBondContact O-N 3.2Å
1063	T	27.7	Very low	38.2	Very low	110 Å²	110	118.7 Å²	118.7	68%	0.675	66%	0.662	S	S	*	*			trans	-94.9	98.9	137.8	-13.8	0	0	0	0	100.6	E1065	T1063-E1065 PolarHBondContact O-N 3.44Å
1064	E	27.4	Very low	36	Very low	182 Å²	182	123 Å²	123	85%	0.85	69%	0.693	S	S	*	*			trans	-62	96.8	160.5	-74.5	173.5	171.3	0	0	103.6	E1066	E1064-E1066 PolarHBondContact O-N 3.08Å
1065	E	26.6	Very low	34.1	Very low	156 Å²	156	120.3 Å²	120.3	73%	0.729	70%	0.703	S	S	*	*			trans	-63.6	93.3	170.8	-68.6	173.3	165.2	0	0	105	T1063 E1067	T1063-E1065 PolarHBondContact O-N 3.44Å; E1065-E1067 PolarHBondContact O-N 2.66Å
1066	E	26.4	Very low	32.6	Very low	193 Å²	193	125.3 Å²	125.3	90%	0.902	72%	0.721	S	S	*	*			trans	-64.4	85.5	154.6	-72.2	-148.7	161.6	0	0	106.7	E1064 D1068	E1064-E1066 PolarHBondContact O-N 3.08Å; E1066-D1068 VanDerWaalsContact C-N 3.34Å; E1066-D1068 PolarHBondContact O-N 3.07Å; E1066-D1068 VanDerWaalsContact O-N 3.11Å
1067	E	24.4	Very low	30.6	Very low	165 Å²	165	125 Å²	125	77%	0.771	74%	0.736	S	S	*	*			trans	-60.7	97.5	155.8	-67.9	-174.7	153.6	0	0	107.6	E1065	E1065-E1067 PolarHBondContact O-N 2.66Å
1068	D	27.7	Very low	29.2	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	75%	0.747	S	S	*	*			trans	-132.3	132.4	145.7	-155.1	6.1	0	0	0	111.5	E1066	E1066-D1068 VanDerWaalsContact C-N 3.34Å; E1066-D1068 PolarHBondContact O-N 3.07Å; E1066-D1068 VanDerWaalsContact O-N 3.11Å
1069	N	23	Very low	27.7	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	77%	0.771	S	S	*	*			trans	-86.5	122.8	-165.1	-73.4	-73	0	0	0	109.9
1070	G	27.4	Very low	27.1	Very low	78 Å²	78	133.6 Å²	133.6	80%	0.804	78%	0.78	S	S	*	*			trans	-152.4	74.2	177	0	0	0	0	0	112.6
1071	S	24.2	Very low	26.5	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	78%	0.784	S	S	*	*			trans	-57.4	145.9	172.5	53.8	0	0	0	0	114.4
1072	H	25.1	Very low	26.3	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.856	79%	0.789	S	S	*	*			trans	64.9	111.6	152.9	-80.8	-71	0	0	0	118.5
1073	D	28.3	Very low	26.4	Very low	148 Å²	148	140 Å²	140	79%	0.791	79%	0.794	S	S	*	*				-169.5	145.2	95.1	-159.8	4.3	0	0	0	111.2
1074	S	24.3	Very low	26.4	Very low	102 Å²	102	143.6 Å²	143.6	71%	0.713	80%	0.803	S	S	*	*			trans	-72.8	139	177.7	40.6	0	0	0	0	113.6
1075	G	22.9	Very low	26.3	Very low	76 Å²	76	140.1 Å²	140.1	78%	0.784	80%	0.799	S	S	*	*			trans	87.4	100	139.2	0	0	0	0	0	116.8
1076	D	27.9	Very low	26.5	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	80%	0.798	S	S	*	*			trans	-146.9	111.2	131	-137	-6.8	0	0	0	109.8	K1078	D1076-K1078 PolarHBondContact O-N 2.81Å
1077	A	24.9	Very low	26.7	Very low	102 Å²	102	137.5 Å²	137.5	84%	0.843	80%	0.795	S	S	*	*			trans	-84.1	100.2	169.8	0	0	0	0	0	107
1078	K	29.6	Very low	27	Very low	167 Å²	167	136.8 Å²	136.8	73%	0.726	80%	0.797	S	S	*	*			trans	-120	110.4	160.6	-79.1	-171.6	179.2	173.9	0	109.6	D1076 D1080	D1076-K1078 PolarHBondContact O-N 2.81Å; K1078-D1080 PolarHBondContact O-N 2.73Å
1079	S	24.4	Very low	27	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	80%	0.8	S	S	*	*			trans	-50.3	114.3	156	48.1	0	0	0	0	110.1
1080	D	30.3	Very low	27.1	Very low	164 Å²	164	139.8 Å²	139.8	88%	0.877	80%	0.801	S	S	*	*			trans	-121.4	116	148.6	-80.2	-36.5	0	0	0	106.6	K1078	K1078-D1080 PolarHBondContact O-N 2.73Å
1081	E	26.5	Very low	27.3	Very low	166 Å²	166	149.1 Å²	149.1	78%	0.776	82%	0.823	S	S	*	*			trans	-67.3	152.1	174.9	-73	172	151.3	0	0	110.5
1082	E	25.3	Very low	27.4	Very low	186 Å²	186	151.4 Å²	151.4	87%	0.869	83%	0.828	S	S	*	*			trans	65.4	85.1	149.9	-65.8	172.3	-169.5	0	0	117.7
1083	A	30.2	Very low	27.6	Very low	103 Å²	103	149.6 Å²	149.6	85%	0.851	83%	0.827	S	S	*	*			trans	-124.7	123.3	147.7	0	0	0	0	0	108.8
1084	E	26.9	Very low	27.5	Very low	185 Å²	185	149.7 Å²	149.7	86%	0.864	83%	0.829	S	S	*	*			trans	-55.7	145.5	-169.9	-68.5	166.6	135.6	0	0	113.9	T1086	E1084-T1086 PolarHBondContact O-N 2.71Å
1085	S	26.1	Very low	27.7	Very low	109 Å²	109	152.5 Å²	152.5	76%	0.762	84%	0.836	S	S	*	*			trans	-58.5	96	169.8	50.2	0	0	0	0	111.6	E1087	S1085-E1087 PolarHBondContact O-N 3.24Å
1086	T	30.1	Very low	28	Very low	116 Å²	116	157.3 Å²	157.3	71%	0.712	84%	0.839	S	S	*	*			trans	-77.6	93	154	47.9	0	0	0	0	107.2	E1084 D1088	E1084-T1086 PolarHBondContact O-N 2.71Å; T1086-D1088 VanDerWaalsContact C-N 3.32Å; T1086-D1088 PolarHBondContact O-N 3.18Å
1087	E	31.3	Very low	28	Very low	178 Å²	178	158.3 Å²	158.3	83%	0.832	84%	0.844	S	S	*	*			trans	-63.2	96.8	164.6	-72.3	-177.8	155.2	0	0	107.5	S1085 E1089	S1085-E1087 PolarHBondContact O-N 3.24Å; E1087-E1089 PolarHBondContact O-N 3.48Å; E1087-E1089 VanDerWaalsContact O-N 3.07Å
1088	D	31.3	Very low	28.2	Very low	150 Å²	150	162.3 Å²	162.3	80%	0.802	84%	0.844	S	S	*	*			trans	-65.6	105.4	174.5	-77.7	-36.8	0	0	0	109.7	T1086 E1090	T1086-D1088 VanDerWaalsContact C-N 3.32Å; T1086-D1088 PolarHBondContact O-N 3.18Å; D1088-E1090 PolarHBondContact O-N 3.09Å
1089	E	27.3	Very low	28.1	Very low	190 Å²	190	161.9 Å²	161.9	89%	0.888	85%	0.853	S	S	*	*			trans	-65.7	82.7	167.3	-68.9	-172.9	143.7	0	0	111.1	E1087	E1087-E1089 PolarHBondContact O-N 3.48Å; E1087-E1089 VanDerWaalsContact O-N 3.07Å
1090	E	25.8	Very low	28.4	Very low	178 Å²	178	166.6 Å²	166.6	83%	0.832	86%	0.862	S	S	*	*			trans	-145.1	88.3	156.8	-76.4	-164	163.7	0	0	110.8	D1088	D1088-E1090 PolarHBondContact O-N 3.09Å
1091	Q	30.3	Very low	28.3	Very low	274 Å²	274	166.8 Å²	166.8	100%	1.28	86%	0.861	S	S	*	*			trans	-161.2	0	155.4	-114.9	164.9	65.6	0	0	114.1

Retrieved 1,091 of 1,091 residues in 820.8 ms (Link to these results)

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