A0A5K4F9W1_SCHMA Loading...

Pentatricopeptide repeat-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9W1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 835 aa.

						>A0A5K4F9W1_SCHMA|A0A5K4F9W1
MIIGCSRICSLLKSSLYHYRIQPITACSLLLWRRSQSHYKANLSTRDLVEVINQKAKIHSLERCDSEEELNVISENDQFDFGALNADILDHQLNDESVVSATRDKIESVIDELLSNDEPEEDPADCLRLSKICRHHPPEHYLKLIKRYCRAGDTNSALSVFFSEMLEKDRVLPSRVHAHMVLDGLARVGDSENAFRVYKKMTELGINATQATYSRLFRACAEDIATWFRRNRTLIPPVVIRTENHSSLLQRKMLALQKALAPDMSPDNFGGPALHKVYRFWRRLTEKNIPMNQFTYNALILALAKAGDIHGCLRALDMMLATENSERFSQGSVGCKNKWLVPDSFTITSVLSSIEPATMKRNLESCHRRMDSSEQSANSNDVFNRLSPFQLALSLWHDLVPLSNNDIAPHNFTLLTRIMGLKNDCLDANNNCEIIFVNNSRYKSFEDIFKSSVDPSNSVNLIHPSCTSRELASMMIAQATQSSLLDSTSTTELDSTSNEPVIYETPESPQFDWNNTMLALRSPINLLLPTDKPIVICGPKDQGLYPWQRLALVGGLYGLLDIIENHYKLKLNISFFTCIIRLLPPPVKSDQCYTNDAFDTWETEVLNLLSRFKLTVDTTLYNALIHRRTSAGLNANHLLADMTRNGLIPNQITWGCLARGCQTKESVKQLLRGFEVAATTPLSSSDLEANSISREQNVQSLIIRPSFTFFSTILSTSGFDWELKAFVIEYMRRPIHVDELSDKNSTIPKRNVYGNQVSNHFDGFVLDRRVIASIDIDIGLFRELLVKGIIPMDGSPVQGSETGGFRVYPNAVRSFYRFYKIYKSWLRESPVDKPR
					

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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	28.6	Very low	27.3	Very low	227 Å²	227	145.6 Å²	145.6	100%	1.118	82%	0.82	S	S	*	*				0	99.9	0	-84.9	178.2	140.5	0	0	107.4
2	I	26.7	Very low	27.2	Very low	137 Å²	137	147.2 Å²	147.2	70%	0.703	82%	0.823	S	S	*	*				79.6	99.6	107.4	-66.4	173.5	0	0	0	111
3	I	27.8	Very low	27.1	Very low	169 Å²	169	149 Å²	149	87%	0.867	82%	0.817	S	S	*	*			trans	74	119.8	139.7	-54.7	170.9	0	0	0	117.8
4	G	30.5	Very low	26.9	Very low	68 Å²	68	146.3 Å²	146.3	70%	0.701	81%	0.814	S	S	*	*			trans	143.3	48.5	158.1	0	0	0	0	0	114.7	S6	G4-S6 PolarHBondContact O-N 3.47Å
5	C	25.9	Very low	26.8	Very low	138 Å²	138	142.7 Å²	142.7	93%	0.932	80%	0.803	S	S	*	*			trans	-54.7	111.8	174.2	-86.8	0	0	0	0	110.7	R7	C5-R7 PolarHBondContact O-N 2.99Å; C5-R7 VanDerWaalsContact O-N 3.16Å
6	S	28.6	Very low	26.7	Very low	104 Å²	104	143.3 Å²	143.3	73%	0.727	80%	0.803	S	S	*	*			trans	-67.5	106.5	-179.3	51.3	0	0	0	0	111	G4	G4-S6 PolarHBondContact O-N 3.47Å
7	R	26.5	Very low	26.7	Very low	228 Å²	228	147.4 Å²	147.4	86%	0.86	80%	0.804	S	S	*	*	S	Bend	trans	-45.6	145.4	138.5	-68.9	171.3	171.4	175.2	-4.3	108.1	C5	C5-R7 PolarHBondContact O-N 2.99Å; C5-R7 VanDerWaalsContact O-N 3.16Å
8	I	26	Very low	26.6	Very low	158 Å²	158	147.3 Å²	147.3	81%	0.81	80%	0.797	S	S	*	*			trans	93.4	49.6	179.9	-41.8	152	0	0	0	113.9
9	C	24.4	Very low	26.5	Very low	114 Å²	114	145.5 Å²	145.5	77%	0.77	78%	0.779	S	S	*	*	S	Bend	trans	-140.6	117.4	149	-97.8	0	0	0	0	109.4
10	S	29.1	Very low	26.6	Very low	97 Å²	97	148.2 Å²	148.2	68%	0.678	78%	0.777	S	S	*	*			trans	86.9	51.9	170.9	77.3	0	0	0	0	119	L12	S10-L12 PolarHBondContact O-N 3.41Å
11	L	26.3	Very low	26.5	Very low	162 Å²	162	143.7 Å²	143.7	85%	0.848	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	32.3	153.2	-90.5	160.8	0	0	0	113.6
12	L	25.6	Very low	26.4	Very low	164 Å²	164	141.4 Å²	141.4	86%	0.859	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.1	25.2	-177.4	-88.8	168.4	0	0	0	113	S10	S10-L12 PolarHBondContact O-N 3.41Å
13	K	25.8	Very low	26.4	Very low	171 Å²	171	139.6 Å²	139.6	74%	0.743	74%	0.737	S	S	*	*			trans	-132.3	36.4	171.2	-89.8	-175.3	176.4	177	0	112.8
14	S	25.5	Very low	26.4	Very low	111 Å²	111	137 Å²	137	78%	0.776	72%	0.724	S	S	*	*	S	Bend	trans	-105.8	16.9	174.4	53.2	0	0	0	0	113.7
15	S	24.7	Very low	26.3	Very low	93 Å²	93	140.3 Å²	140.3	65%	0.65	73%	0.73	S	S	*	*	S	Bend	trans	-148.7	140.9	164.3	71.7	0	0	0	0	107.2
16	L	24.9	Very low	26.4	Very low	152 Å²	152	135.6 Å²	135.6	80%	0.796	70%	0.701	S	S	*	*			trans	81.4	71.6	176.1	-49.9	162.1	0	0	0	116.6
17	Y	27.2	Very low	26.3	Very low	212 Å²	212	134.8 Å²	134.8	83%	0.831	70%	0.695	S	S	*	*			trans	-134.8	45.3	139.7	-103.8	-85.2	0	0	0	110
18	H	25	Very low	26.4	Very low	147 Å²	147	128.8 Å²	128.8	68%	0.681	69%	0.688	S	S	*	*			trans	-78.5	146.9	155.5	-90.7	-73.9	0	0	0	108.9
19	Y	24.5	Very low	26.5	Very low	113 Å²	113	127.4 Å²	127.4	44%	0.443	68%	0.681	S	S	.	*			trans	84.2	130.3	172.2	-70	-86.1	0	0	0	120.3	I21 E62 R63	Y19-I21 HydrophobicContact CD1-CD1 4.07Å; Y19-I21 HydrophobicContact CD1-CG1 4.22Å; Y19-E62 HydrophobicContact CD1-CB 3.95Å; Y19-E62 HydrophobicContact CE1-CB 4Å; Y19-R63 HydrophobicContact CD1-CB 3.64Å; Y19-R63 HydrophobicContact CE1-CB 3.74Å; Y19-R63 VanDerWaalsContact CE1-O 3.25Å; Y19-R63 WeakPolarHBondContact CE1-O 3.13Å; Y19-R63 PolarHBondContact O-NH1 2.82Å
20	R	27.6	Very low	26.8	Very low	199 Å²	199	127 Å²	127	75%	0.751	67%	0.671	S	S	*	*			trans	150.4	26.7	-173.5	-92.4	-168.2	-178.4	-156.3	0.9	119.4	R63	R20-R63 VanDerWaalsContact CB-CZ 3.44Å; R20-R63 VanDerWaalsContact CB-NH1 3.3Å; R20-R63 VanDerWaalsContact CB-NH2 3.3Å; R20-R63 VanDerWaalsContact N-CD 3.29Å; R20-R63 VanDerWaalsContact O-CZ 3.27Å; R20-R63 PolarHBondContact O-NH2 3.12Å
21	I	24.9	Very low	27	Very low	54 Å²	54	128.2 Å²	128.2	28%	0.277	67%	0.669	S	S	.	*				22.6	114.3	126.6	-36.5	131.1	0	0	0	114.8	Y19 E62 R63	Y19-I21 HydrophobicContact CD1-CD1 4.07Å; Y19-I21 HydrophobicContact CD1-CG1 4.22Å; I21-E62 HydrophobicContact CD1-CB 3.28Å; I21-E62 HydrophobicContact CD1-CG 3.16Å; I21-E62 WeakPolarHBondContact CD1-OE1 3.25Å; I21-E62 VanDerWaalsContact CG1-CA 3.44Å; I21-E62 HydrophobicContact CG1-CB 3.68Å; I21-E62 HydrophobicContact CG1-CG 4.06Å; I21-R63 HydrophobicContact CB-CB 4.3Å; I21-R63 HydrophobicContact CB-CG 4.08Å; I21-R63 HydrophobicContact CD1-CB 4.43Å; I21-R63 HydrophobicContact CG1-CB 3.31Å; I21-R63 HydrophobicContact CG1-CG 3.48Å; I21-R63 VanDerWaalsContact CG1-CG 3.48Å; I21-R63 VanDerWaalsContact N-CG 3.26Å
22	Q	26	Very low	27.2	Very low	179 Å²	179	129.5 Å²	129.5	84%	0.836	66%	0.663	S	S	*	*			trans	-154.9	165.3	164.1	-74	-154.3	-28.1	0	0	107.8
23	P	27.3	Very low	27.3	Very low	99 Å²	99	131.1 Å²	131.1	64%	0.643	66%	0.658	S	S	*	*				-122.9	150.5	-93.5	10.5	15.5	0	0	0	113.8
24	I	29	Very low	27.5	Very low	115 Å²	115	132.4 Å²	132.4	59%	0.59	66%	0.658	S	S	*	*			trans	72.5	97	130.1	-57.1	165.5	0	0	0	117.2	A26	I24-A26 VanDerWaalsContact C-N 3.25Å; I24-A26 HydrophobicContact CG2-CB 3.85Å; I24-A26 PolarHBondContact O-N 3.44Å
25	T	27	Very low	27.9	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	65%	0.652	S	S	*	*	S	Bend		-6.1	76.3	113.9	44.4	0	0	0	0	115.9
26	A	27.4	Very low	28.1	Very low	39 Å²	39	135 Å²	135	32%	0.322	66%	0.658	S	S	.	*			trans	-146.4	-18.8	160.1	0	0	0	0	0	113.6	I24 L30	I24-A26 VanDerWaalsContact C-N 3.25Å; I24-A26 HydrophobicContact CG2-CB 3.85Å; I24-A26 PolarHBondContact O-N 3.44Å; A26-L30 WeakPolarHBondContact O-CB 3.37Å; A26-L30 WeakPolarHBondContact O-CD1 3.43Å; A26-L30 WeakPolarHBondContact O-CG 3.32Å; A26-L30 PolarHBondContact O-N 2.68Å
27	C	26.7	Very low	28.3	Very low	88 Å²	88	132.2 Å²	132.2	60%	0.595	65%	0.651	S	S	*	*	H	α-helix	trans	-83.7	-21.5	-177.5	-79.8	0	0	0	0	115.1	L29 L30 L31	C27-L29 VanDerWaalsContact C-N 3.33Å; C27-L29 PolarHBondContact O-N 3.48Å; C27-L30 PolarHBondContact O-N 2.93Å; C27-L31 WeakPolarHBondContact O-CB 2.94Å; C27-L31 WeakPolarHBondContact O-CG 3.47Å; C27-L31 PolarHBondContact O-N 3.32Å
28	S	29.6	Very low	28.3	Very low	101 Å²	101	131 Å²	131	71%	0.706	65%	0.652	S	S	*	*	H	α-helix	trans	-77.2	-14	176	45.7	0	0	0	0	114.2
29	L	28.7	Very low	28.4	Very low	129 Å²	129	134.1 Å²	134.1	68%	0.675	66%	0.66	S	S	*	*	H	α-helix	trans	-103.3	-13.8	168.7	-93.1	156.9	0	0	0	113.4	C27	C27-L29 VanDerWaalsContact C-N 3.33Å; C27-L29 PolarHBondContact O-N 3.48Å
30	L	29.6	Very low	28.6	Very low	105 Å²	105	137.5 Å²	137.5	55%	0.55	68%	0.676	S	S	.	*	H	α-helix	trans	-94.8	-23.5	176.8	-73.9	170.7	0	0	0	113.6	A26 C27 R33	A26-L30 WeakPolarHBondContact O-CB 3.37Å; A26-L30 WeakPolarHBondContact O-CD1 3.43Å; A26-L30 WeakPolarHBondContact O-CG 3.32Å; A26-L30 PolarHBondContact O-N 2.68Å; C27-L30 PolarHBondContact O-N 2.93Å; L30-R33 PolarHBondContact O-N 3.21Å
31	L	33.2	Very low	28.7	Very low	123 Å²	123	132.1 Å²	132.1	64%	0.644	68%	0.675	S	S	*	*	S	Bend	trans	-81.6	-20.4	171.4	-72.5	167	0	0	0	113.1	C27 R33	C27-L31 WeakPolarHBondContact O-CB 2.94Å; C27-L31 WeakPolarHBondContact O-CG 3.47Å; C27-L31 PolarHBondContact O-N 3.32Å; L31-R33 VanDerWaalsContact C-N 3.29Å
32	W	31.1	Very low	28.8	Very low	190 Å²	190	136.8 Å²	136.8	72%	0.72	70%	0.7	S	S	*	*	S	Bend	trans	-75.8	-17.1	168.6	-163.1	68.5	0	0	0	113.1
33	R	27.4	Very low	29	Very low	197 Å²	197	136.7 Å²	136.7	74%	0.743	70%	0.704	S	S	*	*	S	Bend	trans	-94	-8.3	177.7	-127	179.5	-172.9	-172.7	2.3	114.3	L30 L31	L30-R33 PolarHBondContact O-N 3.21Å; L31-R33 VanDerWaalsContact C-N 3.29Å
34	R	29.8	Very low	29.2	Very low	198 Å²	198	136.8 Å²	136.8	75%	0.747	71%	0.707	S	S	*	*	S	Bend	trans	-97.5	-2.8	-177.4	-126.8	173	176.2	165.3	-2.9	114.1
35	S	33.9	Very low	29.2	Very low	93 Å²	93	137.3 Å²	137.3	65%	0.65	72%	0.716	S	S	*	*	S	Bend	trans	-97.5	10.2	177.1	57.9	0	0	0	0	114.6
36	Q	29.9	Very low	29.4	Very low	167 Å²	167	141.6 Å²	141.6	78%	0.78	72%	0.717	S	S	*	*	S	Bend	trans	-128.5	15.3	-173.1	-84.7	-95.7	-21.6	0	0	115.3
37	S	28.6	Very low	29.7	Very low	92 Å²	92	146.5 Å²	146.5	64%	0.643	74%	0.738	S	S	*	*			trans	-119.4	69.3	-178.9	80.7	0	0	0	0	114.5
38	H	26.9	Very low	29.9	Very low	186 Å²	186	147.9 Å²	147.9	86%	0.861	74%	0.739	S	S	*	*	S	Bend	trans	-148.7	76	148.6	-89	-77.4	0	0	0	107.4
39	Y	28.2	Very low	30.2	Very low	214 Å²	214	148 Å²	148	84%	0.839	74%	0.735	S	S	*	*	S	Bend	trans	177.9	123.9	151.1	-106.7	-79.9	0	0	0	111.5
40	K	27.9	Very low	30.3	Very low	183 Å²	183	150.1 Å²	150.1	80%	0.796	74%	0.742	S	S	*	*			trans	73.3	110.8	152.4	-77.9	163	-178.4	-179.1	0	122.5
41	A	30	Very low	30.5	Very low	87 Å²	87	151 Å²	151	72%	0.719	75%	0.751	S	S	*	*				46.8	121.2	121	0	0	0	0	0	121.9
42	N	26.3	Very low	30.5	Very low	151 Å²	151	151.1 Å²	151.1	81%	0.807	75%	0.751	S	S	*	*			trans	51.6	106.1	144.6	-63.1	-14.1	0	0	0	119.6
43	L	30	Very low	30.5	Very low	177 Å²	177	148.9 Å²	148.9	93%	0.927	75%	0.753	S	S	*	*				-170.8	159.4	123.4	-120.3	77.2	0	0	0	112
44	S	32.1	Very low	30.6	Very low	101 Å²	101	148.2 Å²	148.2	71%	0.706	76%	0.758	S	S	*	*			trans	-82.5	159.4	-146.6	54.4	0	0	0	0	119.5	R46	S44-R46 PolarHBondContact O-N 3.36Å; S44-R46 VanDerWaalsContact O-N 3.16Å
45	T	27.9	Very low	30.5	Very low	126 Å²	126	148.2 Å²	148.2	77%	0.773	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	20.2	-165.9	39.4	0	0	0	0	119.6
46	R	33.2	Very low	30.1	Very low	226 Å²	226	148.5 Å²	148.5	85%	0.853	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-21	-170.4	-125.8	172.9	-179.8	154	-1.3	116.3	S44	S44-R46 PolarHBondContact O-N 3.36Å; S44-R46 VanDerWaalsContact O-N 3.16Å
47	D	32.2	Very low	30	Very low	143 Å²	143	150 Å²	150	77%	0.765	78%	0.775	S	S	*	*	S	Bend	trans	-101.6	2.1	-172.8	-59.9	-24.1	0	0	0	114.6
48	L	32.1	Very low	30	Very low	116 Å²	116	153.4 Å²	153.4	61%	0.607	79%	0.785	S	S	*	*	S	Bend	trans	-86.7	-6.4	-178.2	-90.3	162.5	0	0	0	114.6	I52	L48-I52 WeakPolarHBondContact O-CD1 3.35Å
49	V	35	Very low	29.9	Very low	105 Å²	105	153.1 Å²	153.1	64%	0.636	78%	0.784	S	S	*	*	S	Bend	trans	-89.2	-22	-174.3	177.6	0	0	0	0	112.9
50	E	31.8	Very low	29.8	Very low	173 Å²	173	147.5 Å²	147.5	81%	0.808	78%	0.775	S	S	*	*	S	Bend	trans	-88.5	-22.3	-175	-148.4	156.3	-158.1	0	0	113.4	I52	E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 3.12Å
51	V	32.7	Very low	29.8	Very low	122 Å²	122	146.3 Å²	146.3	74%	0.739	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-79.9	-15.1	178.1	-179.3	0	0	0	0	112.4
52	I	32.7	Very low	29.7	Very low	127 Å²	127	147.9 Å²	147.9	65%	0.651	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-83.4	-16.5	-177.2	-66.3	176.2	0	0	0	112.4	L48 E50	L48-I52 WeakPolarHBondContact O-CD1 3.35Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 3.12Å
53	N	31.1	Very low	29.6	Very low	142 Å²	142	145.2 Å²	145.2	76%	0.759	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-97.4	6.5	-171.8	-88.4	-18.6	0	0	0	117.1
54	Q	30.9	Very low	29.4	Very low	183 Å²	183	141.9 Å²	141.9	86%	0.855	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-107.3	5.6	180	-74.1	-168.8	-10.9	0	0	115.9	A56	Q54-A56 PolarHBondContact O-N 3.32Å
55	K	26.4	Very low	29.1	Very low	199 Å²	199	143.7 Å²	143.7	87%	0.865	74%	0.74	S	S	*	*			trans	-100.3	40	-168	-138.9	179.3	-174.7	-176.7	0	116.4
56	A	26.6	Very low	29.1	Very low	98 Å²	98	143.2 Å²	143.2	81%	0.81	74%	0.742	S	S	*	*			trans	-130.2	29.6	-173.6	0	0	0	0	0	116.8	Q54	Q54-A56 PolarHBondContact O-N 3.32Å
57	K	26.4	Very low	28.8	Very low	198 Å²	198	141.5 Å²	141.5	86%	0.861	74%	0.744	S	S	*	*	S	Bend	trans	-132.4	3.7	-171.3	-130.9	177	-176.2	178.6	0	120.4
58	I	30	Very low	28.5	Very low	164 Å²	164	142.6 Å²	142.6	84%	0.841	74%	0.744	S	S	*	*			trans	-142.5	98.8	-179.3	-52.3	178.9	0	0	0	110.9
59	H	24.5	Very low	28.2	Very low	181 Å²	181	143.7 Å²	143.7	84%	0.838	75%	0.746	S	S	*	*			trans	-137.3	95.5	166	-154.2	-72.5	0	0	0	107.3
60	S	26.2	Very low	27.8	Very low	95 Å²	95	146.7 Å²	146.7	66%	0.664	76%	0.758	S	S	*	*			trans	-168.6	130.1	166.8	55.3	0	0	0	0	110.4
61	L	27.4	Very low	27.5	Very low	159 Å²	159	145.5 Å²	145.5	83%	0.832	76%	0.757	S	S	*	*			trans	95.9	76.1	164.8	-58.7	159.9	0	0	0	118.6
62	E	27.3	Very low	27.2	Very low	120 Å²	120	146.4 Å²	146.4	56%	0.561	76%	0.763	S	S	*	*				47.7	108.1	107.2	-48.4	-142	138	0	0	124.1	Y19 I21	Y19-E62 HydrophobicContact CD1-CB 3.95Å; Y19-E62 HydrophobicContact CE1-CB 4Å; I21-E62 HydrophobicContact CD1-CB 3.28Å; I21-E62 HydrophobicContact CD1-CG 3.16Å; I21-E62 WeakPolarHBondContact CD1-OE1 3.25Å; I21-E62 VanDerWaalsContact CG1-CA 3.44Å; I21-E62 HydrophobicContact CG1-CB 3.68Å; I21-E62 HydrophobicContact CG1-CG 4.06Å
63	R	24.2	Very low	26.9	Very low	95 Å²	95	145.2 Å²	145.2	36%	0.358	76%	0.756	S	S	.	*			trans	37.2	126.8	143.3	-107.8	-178.9	-167.3	164.9	14.7	121.2	Y19 R20 I21	Y19-R63 HydrophobicContact CD1-CB 3.64Å; Y19-R63 HydrophobicContact CE1-CB 3.74Å; Y19-R63 VanDerWaalsContact CE1-O 3.25Å; Y19-R63 WeakPolarHBondContact CE1-O 3.13Å; Y19-R63 PolarHBondContact O-NH1 2.82Å; R20-R63 VanDerWaalsContact CB-CZ 3.44Å; R20-R63 VanDerWaalsContact CB-NH1 3.3Å; R20-R63 VanDerWaalsContact CB-NH2 3.3Å; R20-R63 VanDerWaalsContact N-CD 3.29Å; R20-R63 VanDerWaalsContact O-CZ 3.27Å; R20-R63 PolarHBondContact O-NH2 3.12Å; I21-R63 HydrophobicContact CB-CB 4.3Å; I21-R63 HydrophobicContact CB-CG 4.08Å; I21-R63 HydrophobicContact CD1-CB 4.43Å; I21-R63 HydrophobicContact CG1-CB 3.31Å; I21-R63 HydrophobicContact CG1-CG 3.48Å; I21-R63 VanDerWaalsContact CG1-CG 3.48Å; I21-R63 VanDerWaalsContact N-CG 3.26Å
64	C	26.1	Very low	26.8	Very low	106 Å²	106	142.1 Å²	142.1	72%	0.716	75%	0.746	S	S	*	*				-157.3	122.4	122.6	-101.7	0	0	0	0	108
65	D	26.3	Very low	26.6	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	72%	0.717	S	S	*	*			trans	-95.6	126.8	175.1	-64.5	-51.7	0	0	0	108.2
66	S	28.4	Very low	26.7	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	69%	0.686	S	S	*	*			trans	-135.8	115.2	156.5	54.9	0	0	0	0	107.4	E68	S66-E68 PolarHBondContact O-N 3.43Å
67	E	26.2	Very low	26.8	Very low	189 Å²	189	128.5 Å²	128.5	88%	0.883	67%	0.673	S	S	*	*			trans	-73.1	109.5	179.7	-65.6	176.1	148.2	0	0	109.6
68	E	25.5	Very low	27	Very low	167 Å²	167	123.6 Å²	123.6	78%	0.78	65%	0.653	S	S	*	*			trans	-161.5	139.3	159.9	-106.1	160.4	-148.1	0	0	106.8	S66	S66-E68 PolarHBondContact O-N 3.43Å
69	E	27	Very low	27	Very low	138 Å²	138	118.6 Å²	118.6	65%	0.645	63%	0.625	S	S	*	*			trans	82.5	62.8	-179.3	-51.3	-171.8	162.7	0	0	118.5
70	L	25.8	Very low	27.3	Very low	168 Å²	168	113.4 Å²	113.4	88%	0.88	60%	0.604	S	S	*	*			trans	-133	68.1	156.5	-86.2	169.6	0	0	0	111.5
71	N	25.8	Very low	27.3	Very low	149 Å²	149	110.8 Å²	110.8	80%	0.797	58%	0.581	S	S	*	*			trans	-130.5	74.4	161.7	-88.7	-25.7	0	0	0	109.5
72	V	26.1	Very low	27.3	Very low	141 Å²	141	105 Å²	105	86%	0.855	56%	0.559	S	S	*	*			trans	-100.5	81.7	168.2	-178	0	0	0	0	107.7
73	I	26.1	Very low	27.2	Very low	101 Å²	101	102.3 Å²	102.3	52%	0.518	56%	0.557	S	S	.	*	S	Bend	trans	-131.6	99	166.8	-58	179.4	0	0	0	108.8	E75	I73-E75 PolarHBondContact O-N 3.49Å
74	S	29.2	Very low	27.4	Very low	78 Å²	78	101 Å²	101	55%	0.545	56%	0.557	S	S	.	*			trans	38.6	73.2	149.2	-173	0	0	0	0	116.9	N76	S74-N76 PolarHBondContact O-N 3.39Å; S74-N76 VanDerWaalsContact O-N 3.14Å
75	E	27.7	Very low	27.3	Very low	51 Å²	51	101.7 Å²	101.7	24%	0.238	55%	0.554	C	S	.	*			trans	-84.1	58.4	-179	-60.6	-176.9	142.6	0	0	114.2	I73 Q651 S706 T708	I73-E75 PolarHBondContact O-N 3.49Å; E75-Q651 PolarHBondContact OE2-NE2 3.27Å; E75-S706 VanDerWaalsContact OE2-CB 3.23Å; E75-S706 WeakPolarHBondContact OE2-CB 2.96Å; E75-S706 PolarHBondContact OE2-OG 3.16Å; E75-T708 HydrophobicContact CB-CG2 4.15Å; E75-T708 WeakPolarHBondContact O-CB 3.49Å; E75-T708 WeakPolarHBondContact O-CG2 3.21Å; E75-T708 PolarHBondContact O-OG1 3.35Å
76	N	27.1	Very low	27.4	Very low	43 Å²	43	98.5 Å²	98.5	23%	0.23	55%	0.547	C	S	.	.	S	Bend	trans	-136.6	109.5	166.4	-100.1	-23.8	0	0	0	108.4	S74 T708	S74-N76 PolarHBondContact O-N 3.39Å; S74-N76 VanDerWaalsContact O-N 3.14Å; N76-T708 HydrophobicContact CB-CG2 4.26Å; N76-T708 WeakPolarHBondContact ND2-CG2 3.49Å; N76-T708 WeakPolarHBondContact OD1-CB 3.3Å
77	D	30.3	Very low	27.3	Very low	99 Å²	99	100.1 Å²	100.1	53%	0.529	55%	0.547	S	S	.	.	S	Bend	trans	64.3	63.9	-171.7	-60	-23	0	0	0	115.1	F79 R232	D77-F79 PolarHBondContact O-N 3.23Å; D77-R232 PolarHBondContact O-NH1 2.97Å; D77-R232 PolarHBondContact O-NH2 3.07Å; D77-R232 IonicContact OD2-NH2 2.79Å
78	Q	29.2	Very low	27.4	Very low	96 Å²	96	98.1 Å²	98.1	45%	0.449	54%	0.54	S	S	.	.			trans	-67	78.4	163	-81.3	179.5	-2.6	0	0	110.9
79	F	31.3	Very low	27.4	Very low	58 Å²	58	95.1 Å²	95.1	25%	0.254	53%	0.529	S	S	.	.			trans	-125.5	78.4	135.7	-83.2	-87.9	0	0	0	103.9	D77 R417 T577	D77-F79 PolarHBondContact O-N 3.23Å; F79-R417 PolarHBondContact O-NH2 3.35Å; F79-T577 HydrophobicContact CE1-CG2 3.87Å; F79-T577 HydrophobicContact CZ-CG2 3.83Å
80	D	30.8	Very low	27.4	Very low	72 Å²	72	95.9 Å²	95.9	39%	0.385	54%	0.537	S	S	.	.			trans	-67.9	145.3	-171.9	-142	-5.4	0	0	0	110.3	R417	D80-R417 PolarHBondContact O-NH1 2.94Å; D80-R417 PolarHBondContact O-NH2 3.14Å
81	F	26.3	Very low	27.5	Very low	41 Å²	41	93.2 Å²	93.2	18%	0.18	52%	0.52	C	S	.	.	S	Bend	trans	-90.5	122.2	164.7	-87.2	-105.7	0	0	0	106.8	E355 L414	F81-E355 HydrophobicContact CE1-CB 4.26Å; F81-E355 HydrophobicContact CE2-CB 4.01Å; F81-E355 HydrophobicContact CE2-CG 3.95Å; F81-E355 WeakPolarHBondContact CE2-OE1 3.47Å; F81-E355 WeakPolarHBondContact CE2-OE2 3.45Å; F81-E355 HydrophobicContact CZ-CB 3.53Å; F81-E355 HydrophobicContact CZ-CG 4.01Å; F81-E355 WeakPolarHBondContact CZ-OE2 3.35Å; F81-L414 HydrophobicContact CE1-CD1 4.15Å; F81-L414 HydrophobicContact CZ-CD1 4.42Å
82	G	26.3	Very low	27.5	Very low	37 Å²	37	93.7 Å²	93.7	38%	0.381	52%	0.518	S	S	.	.			trans	102.1	70.9	158.8	0	0	0	0	0	116
83	A	26.4	Very low	27.5	Very low	63 Å²	63	93.8 Å²	93.8	52%	0.521	51%	0.513	S	S	.	.			trans	-133.3	77.8	134.4	0	0	0	0	0	107.9	N85 A86	A83-N85 PolarHBondContact O-N 2.8Å; A83-A86 HydrophobicContact CB-CB 4.42Å
84	L	27	Very low	27.5	Very low	68 Å²	68	96.8 Å²	96.8	36%	0.356	53%	0.53	S	S	.	.	S	Bend	trans	-66.5	24.3	166.7	-94.2	160.2	0	0	0	112.4	F345 T348	L84-F345 HydrophobicContact CB-CE2 4.49Å; L84-F345 HydrophobicContact CD1-CD2 4.43Å; L84-F345 HydrophobicContact CD1-CE2 3.88Å; L84-T348 HydrophobicContact CD1-CG2 3.84Å; L84-T348 HydrophobicContact CD2-CG2 4.31Å
85	N	24.6	Very low	27.6	Very low	120 Å²	120	97.8 Å²	97.8	64%	0.642	53%	0.529	S	S	*	.	S	Bend	trans	-166.1	81.3	175.5	-85.2	-23.2	0	0	0	108.8	A83	A83-N85 PolarHBondContact O-N 2.8Å
86	A	27.6	Very low	27.9	Very low	73 Å²	73	104.1 Å²	104.1	60%	0.603	56%	0.559	S	S	*	*	S	Bend	trans	-169.1	-26.1	159.9	0	0	0	0	0	114.4	A83 I88	A83-A86 HydrophobicContact CB-CB 4.42Å; A86-I88 PolarHBondContact O-N 3.5Å; A86-I88 VanDerWaalsContact O-N 3.17Å
87	D	27.9	Very low	28.4	Very low	151 Å²	151	106.1 Å²	106.1	81%	0.807	58%	0.576	S	S	*	*			trans	-96.5	45.8	-165.8	-59	-18.3	0	0	0	114.6
88	I	27	Very low	28.6	Very low	146 Å²	146	104.6 Å²	104.6	75%	0.749	57%	0.57	S	S	*	*	S	Bend	trans	-120.8	89.6	161.1	-55.3	173.4	0	0	0	105.7	A86	A86-I88 PolarHBondContact O-N 3.5Å; A86-I88 VanDerWaalsContact O-N 3.17Å
89	L	26.3	Very low	28.7	Very low	105 Å²	105	102.7 Å²	102.7	55%	0.55	57%	0.565	S	S	.	*			trans	164.6	64.9	154.4	-89	160.5	0	0	0	108.3	V99	L89-V99 HydrophobicContact CD2-CG1 4.48Å
90	D	26.3	Very low	29	Very low	153 Å²	153	102.9 Å²	102.9	82%	0.818	57%	0.573	S	S	*	*			trans	-150.4	78.2	160.1	-136.8	5.4	0	0	0	109.2
91	H	28.2	Very low	29.5	Very low	112 Å²	112	101.8 Å²	101.8	52%	0.519	58%	0.575	S	S	.	*	S	Bend	trans	-171.7	114	150.9	-94.6	-36.2	0	0	0	110.5	I573 T615	H91-I573 VanDerWaalsContact NE2-CD1 3.28Å; H91-I573 WeakPolarHBondContact NE2-CD1 3.25Å; H91-T615 PolarHBondContact CE1-OG1 3.37Å; H91-T615 PolarHBondContact ND1-OG1 3.39Å; H91-T615 PolarHBondContact NE2-OG1 3.11Å
92	Q	26.9	Very low	29.8	Very low	160 Å²	160	102.3 Å²	102.3	75%	0.748	58%	0.581	S	S	*	*			trans	55.7	79.6	153.6	-59.1	-168.5	-15.1	0	0	117.2
93	L	25.1	Very low	30.3	Very low	142 Å²	142	108 Å²	108	74%	0.743	59%	0.591	S	S	*	*			trans	-157.8	98.3	149.2	-95.7	172	0	0	0	108.9	D95	L93-D95 VanDerWaalsContact C-N 3.32Å; L93-D95 PolarHBondContact O-N 3.28Å
94	N	26.9	Very low	31.2	Very low	164 Å²	164	109.8 Å²	109.8	88%	0.877	59%	0.592	S	S	*	*			trans	-65	89	167	-71.4	-15.6	0	0	0	109
95	D	30.3	Very low	32.1	Very low	100 Å²	100	113.7 Å²	113.7	54%	0.535	61%	0.606	S	S	.	*			trans	-169.3	94	161.1	-98.7	-29.2	0	0	0	109.4	L93 S97 V98 V99	L93-D95 VanDerWaalsContact C-N 3.32Å; L93-D95 PolarHBondContact O-N 3.28Å; D95-S97 PolarHBondContact O-N 3.38Å; D95-V98 HydrophobicContact CB-CB 4.28Å; D95-V98 HydrophobicContact CB-CG2 3.93Å; D95-V98 PolarHBondContact O-N 2.81Å; D95-V99 PolarHBondContact O-N 3.14Å
96	E	33.7	Very low	32.8	Very low	184 Å²	184	111.8 Å²	111.8	86%	0.86	60%	0.595	S	S	*	*	H	α-helix	trans	-54.4	-25.3	-179.7	-73.9	-172.3	144.4	0	0	113.7	S100	E96-S100 PolarHBondContact O-N 3.03Å
97	S	38	Very low	33.5	Very low	85 Å²	85	111.3 Å²	111.3	59%	0.594	58%	0.58	S	S	*	*	H	α-helix	trans	-73.1	-27.5	177.4	76.7	0	0	0	0	113.7	D95 S100 A101	D95-S97 PolarHBondContact O-N 3.38Å; S97-S100 PolarHBondContact O-OG 3.36Å; S97-A101 WeakPolarHBondContact O-CB 3.47Å; S97-A101 PolarHBondContact O-N 2.97Å
98	V	34.6	Very low	34.6	Very low	66 Å²	66	106.7 Å²	106.7	40%	0.4	56%	0.56	S	S	.	*	H	α-helix	trans	-84.9	-31.1	178.7	-178.7	0	0	0	0	110.2	D95 A101 T102	D95-V98 HydrophobicContact CB-CB 4.28Å; D95-V98 HydrophobicContact CB-CG2 3.93Å; D95-V98 PolarHBondContact O-N 2.81Å; V98-A101 PolarHBondContact O-N 2.81Å; V98-T102 HydrophobicContact CG1-CG2 4.26Å; V98-T102 WeakPolarHBondContact O-CB 3.26Å; V98-T102 VanDerWaalsContact O-CG2 3.28Å; V98-T102 WeakPolarHBondContact O-CG2 3.36Å; V98-T102 PolarHBondContact O-N 3.41Å; V98-T102 PolarHBondContact O-OG1 3.33Å
99	V	30.8	Very low	35.4	Very low	57 Å²	57	102.9 Å²	102.9	35%	0.345	54%	0.543	S	S	.	.	H	α-helix	trans	-69.5	-40.1	176	-179.1	0	0	0	0	111.4	L89 D95 T102 R103	L89-V99 HydrophobicContact CD2-CG1 4.48Å; D95-V99 PolarHBondContact O-N 3.14Å; V99-T102 WeakPolarHBondContact CA-OG1 3.43Å; V99-T102 PolarHBondContact O-OG1 2.96Å; V99-T102 VanDerWaalsContact O-OG1 3.1Å; V99-R103 WeakPolarHBondContact O-CB 3.45Å; V99-R103 PolarHBondContact O-N 3.08Å
100	S	39.2	Very low	36.3	Very low	61 Å²	61	101.6 Å²	101.6	43%	0.427	54%	0.536	S	S	.	.	H	α-helix	trans	-66.2	-41.8	172.6	70.4	0	0	0	0	111.5	E96 S97 T102 R103 D104	E96-S100 PolarHBondContact O-N 3.03Å; S97-S100 PolarHBondContact O-OG 3.36Å; S100-T102 PolarHBondContact O-N 3.19Å; S100-R103 PolarHBondContact O-N 3.22Å; S100-D104 VanDerWaalsContact O-CB 3.26Å; S100-D104 WeakPolarHBondContact O-CB 3.37Å; S100-D104 PolarHBondContact O-N 3.26Å
101	A	40.8	Very low	37.1	Very low	50 Å²	50	98.9 Å²	98.9	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-67.6	-34.4	178.2	0	0	0	0	0	113.6	S97 V98 K105	S97-A101 WeakPolarHBondContact O-CB 3.47Å; S97-A101 PolarHBondContact O-N 2.97Å; V98-A101 PolarHBondContact O-N 2.81Å; A101-K105 WeakPolarHBondContact O-CB 3.41Å; A101-K105 PolarHBondContact O-N 2.81Å
102	T	31.3	Very low	37.8	Very low	52 Å²	52	98.7 Å²	98.7	32%	0.319	52%	0.521	S	S	.	.	H	α-helix	trans	-76.3	-38.4	175.2	50	0	0	0	0	111.5	V98 V99 S100 K105 I106	V98-T102 HydrophobicContact CG1-CG2 4.26Å; V98-T102 WeakPolarHBondContact O-CB 3.26Å; V98-T102 VanDerWaalsContact O-CG2 3.28Å; V98-T102 WeakPolarHBondContact O-CG2 3.36Å; V98-T102 PolarHBondContact O-N 3.41Å; V98-T102 PolarHBondContact O-OG1 3.33Å; V99-T102 WeakPolarHBondContact CA-OG1 3.43Å; V99-T102 PolarHBondContact O-OG1 2.96Å; V99-T102 VanDerWaalsContact O-OG1 3.1Å; S100-T102 PolarHBondContact O-N 3.19Å; T102-K105 CarbonylContact O-C 3.54Å; T102-K105 PolarHBondContact O-N 2.92Å; T102-I106 WeakPolarHBondContact O-CB 3.39Å; T102-I106 VanDerWaalsContact O-CG1 3.26Å; T102-I106 WeakPolarHBondContact O-CG1 3.38Å; T102-I106 PolarHBondContact O-N 2.79Å
103	R	37.9	Very low	38.5	Very low	155 Å²	155	96.8 Å²	96.8	59%	0.585	52%	0.515	S	S	*	.	H	α-helix	trans	-61.9	-43.7	170.4	-174	-179.5	-177.6	137.1	2.5	111.7	V99 S100 K105 I106 E107	V99-R103 WeakPolarHBondContact O-CB 3.45Å; V99-R103 PolarHBondContact O-N 3.08Å; S100-R103 PolarHBondContact O-N 3.22Å; R103-K105 VanDerWaalsContact C-N 3.33Å; R103-I106 PolarHBondContact O-N 3.02Å; R103-E107 IonicContact NE-OE1 3.99Å; R103-E107 WeakPolarHBondContact O-CB 3.45Å; R103-E107 PolarHBondContact O-N 3.31Å
104	D	45.1	Very low	39.5	Very low	102 Å²	102	94.6 Å²	94.6	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-67.6	-34.2	175.7	-73	-16.7	0	0	0	111.2	S100 S108	S100-D104 VanDerWaalsContact O-CB 3.26Å; S100-D104 WeakPolarHBondContact O-CB 3.37Å; S100-D104 PolarHBondContact O-N 3.26Å; D104-S108 WeakPolarHBondContact O-CB 3.37Å; D104-S108 PolarHBondContact O-N 3.27Å
105	K	45.7	Very low	40.6	Very low	149 Å²	149	89.8 Å²	89.8	65%	0.648	48%	0.483	S	S	*	.	H	α-helix	trans	-68.9	-37.9	170.8	-105.4	172.9	175	173.1	0	113.1	A101 T102 R103 S108 V109	A101-K105 WeakPolarHBondContact O-CB 3.41Å; A101-K105 PolarHBondContact O-N 2.81Å; T102-K105 CarbonylContact O-C 3.54Å; T102-K105 PolarHBondContact O-N 2.92Å; R103-K105 VanDerWaalsContact C-N 3.33Å; K105-S108 PolarHBondContact O-N 3.47Å; K105-S108 PolarHBondContact O-OG 2.92Å; K105-V109 VanDerWaalsContact O-CB 3.3Å; K105-V109 WeakPolarHBondContact O-CB 3.44Å; K105-V109 WeakPolarHBondContact O-CG2 3.34Å; K105-V109 PolarHBondContact O-N 2.68Å
106	I	38.9	Very low	41	Very low	81 Å²	81	89.9 Å²	89.9	42%	0.415	48%	0.484	S	S	.	.	H	α-helix	trans	-73.9	-42.1	177.5	-67.6	164.6	0	0	0	109.8	T102 R103 S108 V109 I110	T102-I106 WeakPolarHBondContact O-CB 3.39Å; T102-I106 VanDerWaalsContact O-CG1 3.26Å; T102-I106 WeakPolarHBondContact O-CG1 3.38Å; T102-I106 PolarHBondContact O-N 2.79Å; R103-I106 PolarHBondContact O-N 3.02Å; I106-S108 VanDerWaalsContact C-N 3.3Å; I106-S108 PolarHBondContact O-N 3.22Å; I106-V109 PolarHBondContact O-N 2.99Å; I106-I110 HydrophobicContact CG2-CD1 3.75Å; I106-I110 HydrophobicContact CG2-CG1 4.36Å; I106-I110 VanDerWaalsContact O-CB 3.3Å; I106-I110 WeakPolarHBondContact O-CB 3.3Å; I106-I110 WeakPolarHBondContact O-CD1 3.49Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 2.96Å
107	E	42.8	Very low	41.6	Very low	62 Å²	62	88.8 Å²	88.8	29%	0.29	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-39.4	169.5	-76.9	-167.8	-166.8	0	0	110.2	R103 I110 D111 R150	R103-E107 IonicContact NE-OE1 3.99Å; R103-E107 WeakPolarHBondContact O-CB 3.45Å; R103-E107 PolarHBondContact O-N 3.31Å; E107-I110 PolarHBondContact O-N 3.34Å; E107-D111 VanDerWaalsContact O-CB 3.29Å; E107-D111 WeakPolarHBondContact O-CB 3.23Å; E107-D111 PolarHBondContact O-N 3.35Å; E107-R150 IonicContact OE1-NH2 3.89Å; E107-R150 IonicContact OE2-NH2 3.2Å; E107-R150 PolarHBondContact OE2-NH2 2.9Å
108	S	51	Low	42	Very low	55 Å²	55	88.4 Å²	88.4	39%	0.385	47%	0.473	S	S	.	.	H	α-helix	trans	-70.4	-37	175.7	96.4	0	0	0	0	112.9	D104 K105 I106 D111 E112	D104-S108 WeakPolarHBondContact O-CB 3.37Å; D104-S108 PolarHBondContact O-N 3.27Å; K105-S108 PolarHBondContact O-N 3.47Å; K105-S108 PolarHBondContact O-OG 2.92Å; I106-S108 VanDerWaalsContact C-N 3.3Å; I106-S108 PolarHBondContact O-N 3.22Å; S108-D111 CarbonylContact O-C 3.6Å; S108-D111 PolarHBondContact O-N 3.27Å; S108-E112 WeakPolarHBondContact O-CB 3.4Å; S108-E112 PolarHBondContact O-N 3.09Å
109	V	43.4	Very low	42.6	Very low	65 Å²	65	89.9 Å²	89.9	39%	0.394	48%	0.484	S	S	.	.	H	α-helix	trans	-72.2	-34.3	176.6	169	0	0	0	0	110.5	K105 I106 E112 L113	K105-V109 VanDerWaalsContact O-CB 3.3Å; K105-V109 WeakPolarHBondContact O-CB 3.44Å; K105-V109 WeakPolarHBondContact O-CG2 3.34Å; K105-V109 PolarHBondContact O-N 2.68Å; I106-V109 PolarHBondContact O-N 2.99Å; V109-E112 PolarHBondContact O-N 3.35Å; V109-L113 HydrophobicContact CG1-CD1 3.72Å; V109-L113 HydrophobicContact CG1-CG 4.19Å; V109-L113 WeakPolarHBondContact O-CB 3.26Å; V109-L113 WeakPolarHBondContact O-CD1 3.42Å; V109-L113 WeakPolarHBondContact O-CG 3.28Å; V109-L113 PolarHBondContact O-N 3.47Å
110	I	44.4	Very low	43.3	Very low	78 Å²	78	96.6 Å²	96.6	40%	0.4	51%	0.511	S	S	.	.	H	α-helix	trans	-67.3	-43.7	170.9	-70.5	167	0	0	0	109.9	I106 E107 E112 L114	I106-I110 HydrophobicContact CG2-CD1 3.75Å; I106-I110 HydrophobicContact CG2-CG1 4.36Å; I106-I110 VanDerWaalsContact O-CB 3.3Å; I106-I110 WeakPolarHBondContact O-CB 3.3Å; I106-I110 WeakPolarHBondContact O-CD1 3.49Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 2.96Å; E107-I110 PolarHBondContact O-N 3.34Å; I110-E112 VanDerWaalsContact C-N 3.35Å; I110-L114 HydrophobicContact CG2-CD1 3.63Å; I110-L114 HydrophobicContact CG2-CG 4.38Å; I110-L114 WeakPolarHBondContact O-CB 3.28Å; I110-L114 WeakPolarHBondContact O-CD1 3.36Å; I110-L114 WeakPolarHBondContact O-CG 3.5Å; I110-L114 PolarHBondContact O-N 3.45Å
111	D	43.6	Very low	43.5	Very low	96 Å²	96	98.2 Å²	98.2	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-36.2	174.6	-78.8	-14.1	0	0	0	111.3	E107 S108 S115	E107-D111 VanDerWaalsContact O-CB 3.29Å; E107-D111 WeakPolarHBondContact O-CB 3.23Å; E107-D111 PolarHBondContact O-N 3.35Å; S108-D111 CarbonylContact O-C 3.6Å; S108-D111 PolarHBondContact O-N 3.27Å; D111-S115 WeakPolarHBondContact O-CB 3.21Å; D111-S115 PolarHBondContact O-N 3.32Å; D111-S115 PolarHBondContact O-OG 3.29Å
112	E	42.3	Very low	43.6	Very low	108 Å²	108	101.4 Å²	101.4	51%	0.505	52%	0.522	S	S	.	.	H	α-helix	trans	-69.9	-44.4	175.9	-169.8	174.5	-171.9	0	0	111.3	S108 V109 I110 L114 S115 N116	S108-E112 WeakPolarHBondContact O-CB 3.4Å; S108-E112 PolarHBondContact O-N 3.09Å; V109-E112 PolarHBondContact O-N 3.35Å; I110-E112 VanDerWaalsContact C-N 3.35Å; E112-L114 VanDerWaalsContact C-N 3.3Å; E112-L114 PolarHBondContact O-N 2.97Å; E112-S115 VanDerWaalsContact CA-OG 3.29Å; E112-S115 WeakPolarHBondContact CA-OG 3.45Å; E112-S115 PolarHBondContact O-N 2.99Å; E112-S115 PolarHBondContact O-OG 3.05Å; E112-N116 PolarHBondContact O-N 3.47Å; E112-N116 VanDerWaalsContact O-N 3.14Å; E112-N116 PolarHBondContact O-ND2 3.3Å
113	L	42	Very low	44.4	Very low	120 Å²	120	104.5 Å²	104.5	63%	0.628	54%	0.543	S	S	*	.	H	α-helix	trans	-70	-24.9	175.6	-71.4	170.1	0	0	0	113	V109	V109-L113 HydrophobicContact CG1-CD1 3.72Å; V109-L113 HydrophobicContact CG1-CG 4.19Å; V109-L113 WeakPolarHBondContact O-CB 3.26Å; V109-L113 WeakPolarHBondContact O-CD1 3.42Å; V109-L113 WeakPolarHBondContact O-CG 3.28Å; V109-L113 PolarHBondContact O-N 3.47Å
114	L	47.7	Very low	44.7	Very low	96 Å²	96	100.1 Å²	100.1	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-91.4	-11.3	174.5	-69.1	171.9	0	0	0	113.7	I110 E112	I110-L114 HydrophobicContact CG2-CD1 3.63Å; I110-L114 HydrophobicContact CG2-CG 4.38Å; I110-L114 WeakPolarHBondContact O-CB 3.28Å; I110-L114 WeakPolarHBondContact O-CD1 3.36Å; I110-L114 WeakPolarHBondContact O-CG 3.5Å; I110-L114 PolarHBondContact O-N 3.45Å; E112-L114 VanDerWaalsContact C-N 3.3Å; E112-L114 PolarHBondContact O-N 2.97Å
115	S	48.8	Very low	44.8	Very low	63 Å²	63	101.2 Å²	101.2	44%	0.441	55%	0.546	S	S	.	.	H	α-helix	trans	-102.5	-13.2	178	53.9	0	0	0	0	114.2	D111 E112 D117 E118	D111-S115 WeakPolarHBondContact O-CB 3.21Å; D111-S115 PolarHBondContact O-N 3.32Å; D111-S115 PolarHBondContact O-OG 3.29Å; E112-S115 VanDerWaalsContact CA-OG 3.29Å; E112-S115 WeakPolarHBondContact CA-OG 3.45Å; E112-S115 PolarHBondContact O-N 2.99Å; E112-S115 PolarHBondContact O-OG 3.05Å; S115-D117 VanDerWaalsContact C-N 3.3Å; S115-D117 PolarHBondContact O-N 3.01Å; S115-E118 PolarHBondContact O-N 3.35Å
116	N	38.3	Very low	44.6	Very low	103 Å²	103	98.4 Å²	98.4	55%	0.551	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	75.7	177.2	-72.5	-29.9	0	0	0	112.1	E112	E112-N116 PolarHBondContact O-N 3.47Å; E112-N116 VanDerWaalsContact O-N 3.14Å; E112-N116 PolarHBondContact O-ND2 3.3Å
117	D	47.4	Very low	45	Very low	161 Å²	161	100.9 Å²	100.9	86%	0.861	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.3	33.6	149.7	-85.2	-18.9	0	0	0	110.5	S115 P119	S115-D117 VanDerWaalsContact C-N 3.3Å; S115-D117 PolarHBondContact O-N 3.01Å; D117-P119 WeakPolarHBondContact O-CD 3.46Å
118	E	46.2	Very low	44.9	Very low	77 Å²	77	105.7 Å²	105.7	36%	0.36	57%	0.573	S	S	.	*			trans	-92.3	113.3	179.1	-75.2	-67.6	172.3	0	0	110.3	S115 E120 R175	S115-E118 PolarHBondContact O-N 3.35Å; E118-E120 PolarHBondContact O-N 3Å; E118-R175 IonicContact OE1-CZ 3.67Å; E118-R175 IonicContact OE1-NH1 3.84Å; E118-R175 PolarHBondContact OE1-NH1 2.88Å; E118-R175 IonicContact OE1-NH2 3.08Å; E118-R175 IonicContact OE2-CZ 3.67Å; E118-R175 IonicContact OE2-NH1 2.88Å; E118-R175 PolarHBondContact OE2-NH1 3.04Å; E118-R175 IonicContact OE2-NH2 3.72Å; E118-R175 PolarHBondContact OE2-NH2 3.4Å
119	P	47.9	Very low	44.9	Very low	97 Å²	97	106.8 Å²	106.8	63%	0.63	57%	0.574	S	S	*	*			trans	-62.1	132.5	166.3	26.6	-31.1	0	0	0	108	D117 E121	D117-P119 WeakPolarHBondContact O-CD 3.46Å; P119-E121 PolarHBondContact O-N 3.13Å
120	E	44.5	Very low	45.1	Very low	197 Å²	197	106.3 Å²	106.3	92%	0.921	57%	0.574	S	S	*	*			trans	-49.6	113.4	174	-70.5	-173.8	158.2	0	0	108.9	E118 D122	E118-E120 PolarHBondContact O-N 3Å; E120-D122 PolarHBondContact O-N 3.42Å
121	E	43.8	Very low	45.5	Very low	95 Å²	95	109.9 Å²	109.9	44%	0.444	59%	0.587	S	S	.	*			trans	-64.7	118.6	179	-73.3	-176.4	171.8	0	0	108.6	P119 R175	P119-E121 PolarHBondContact O-N 3.13Å; E121-R175 IonicContact OE1-CZ 3.95Å; E121-R175 IonicContact OE1-NE 2.6Å; E121-R175 PolarHBondContact OE1-NE 3.01Å; E121-R175 IonicContact OE1-NH2 3.55Å; E121-R175 PolarHBondContact OE1-NH2 3.33Å
122	D	42.8	Very low	45.5	Very low	118 Å²	118	111.8 Å²	111.8	63%	0.631	60%	0.595	S	S	*	*			trans	-57	124.7	172.6	-116.8	-28.8	0	0	0	108.4	E120 A124 D125	E120-D122 PolarHBondContact O-N 3.42Å; D122-A124 PolarHBondContact O-N 3.34Å; D122-D125 PolarHBondContact O-N 3.01Å
123	P	47.5	Very low	45.7	Very low	116 Å²	116	110.9 Å²	110.9	75%	0.753	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-61.1	-9.4	-178.9	22.9	-32.2	0	0	0	113.1
124	A	45.5	Very low	46.4	Very low	64 Å²	64	112.7 Å²	112.7	53%	0.529	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-74	-22.2	174.7	0	0	0	0	0	114.2	D122 C126 L127	D122-A124 PolarHBondContact O-N 3.34Å; A124-C126 PolarHBondContact O-N 3.35Å; A124-L127 WeakPolarHBondContact O-CD2 3.33Å; A124-L127 VanDerWaalsContact O-CG 3.26Å; A124-L127 WeakPolarHBondContact O-CG 3.41Å
125	D	47.2	Very low	46.9	Very low	124 Å²	124	114.8 Å²	114.8	66%	0.663	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-76	-4.1	-179	-87	-7.6	0	0	0	113.7	D122 L127	D122-D125 PolarHBondContact O-N 3.01Å; D125-L127 PolarHBondContact O-N 3.16Å
126	C	41.3	Very low	47.8	Very low	91 Å²	91	115.9 Å²	115.9	62%	0.615	60%	0.603	S	S	*	*			trans	-77	58.6	167.3	-69.8	0	0	0	0	112.1	A124 R128	A124-C126 PolarHBondContact O-N 3.35Å; C126-R128 PolarHBondContact O-N 3.21Å; C126-R128 VanDerWaalsContact O-N 3.16Å
127	L	45.7	Very low	49.6	Very low	132 Å²	132	114.6 Å²	114.6	69%	0.691	60%	0.6	S	S	*	*			trans	-85	87.6	-178.2	-66.1	175.2	0	0	0	113.3	A124 D125	A124-L127 WeakPolarHBondContact O-CD2 3.33Å; A124-L127 VanDerWaalsContact O-CG 3.26Å; A124-L127 WeakPolarHBondContact O-CG 3.41Å; D125-L127 PolarHBondContact O-N 3.16Å
128	R	42.5	Very low	51	Low	163 Å²	163	109.5 Å²	109.5	62%	0.615	58%	0.576	S	S	*	*			trans	41.6	99.6	145.6	-63.8	-173.4	168.5	139.4	10.5	120.6	C126	C126-R128 PolarHBondContact O-N 3.21Å; C126-R128 VanDerWaalsContact O-N 3.16Å
129	L	49.9	Very low	52.7	Low	78 Å²	78	112 Å²	112	41%	0.408	59%	0.588	S	S	.	*	S	Bend	trans	-94.9	79.7	141	-78.3	165.7	0	0	0	109.8	R170 L172 L204	L129-R170 VanDerWaalsContact CB-O 3.31Å; L129-R170 WeakPolarHBondContact CB-O 3.33Å; L129-R170 VanDerWaalsContact O-O 3.06Å; L129-L172 HydrophobicContact CD1-CD1 3.83Å; L129-L172 HydrophobicContact CG-CD1 4.42Å; L129-L204 HydrophobicContact CD1-CD2 4.22Å
130	S	48.1	Very low	54.4	Low	56 Å²	56	110.6 Å²	110.6	39%	0.392	57%	0.573	S	S	.	*			trans	61.9	149	175.8	87.2	0	0	0	0	117.9
131	K	51.7	Low	56.5	Low	153 Å²	153	101.5 Å²	101.5	67%	0.665	53%	0.53	S	S	*	.	S	Bend	trans	-92.9	3.1	179	-86	-177.7	172.9	177.5	0	113.4
132	I	45	Very low	58.6	Low	135 Å²	135	99 Å²	99	69%	0.692	52%	0.52	S	S	*	.	S	Bend	trans	-121.2	125.8	-162.9	-55.9	173.4	0	0	0	107.8
133	C	46.3	Very low	60.9	Low	90 Å²	90	100.4 Å²	100.4	61%	0.608	52%	0.52	S	S	*	.			trans	76.1	50.8	-178	-59.1	0	0	0	0	118
134	R	55.8	Low	62.9	Low	158 Å²	158	96.5 Å²	96.5	60%	0.596	49%	0.493	S	S	*	.			trans	-87	113.5	163.4	-64.8	-178.3	-177.8	-172.5	-3.8	109.9
135	H	58	Low	65	Low	140 Å²	140	93.4 Å²	93.4	65%	0.648	47%	0.467	S	S	*	.			trans	-82	-36.8	170.3	-71.7	-62	0	0	0	111.6	D169	H135-D169 IonicContact CD2-OD1 3.96Å
136	H	69.1	Low	67.1	Low	85 Å²	85	91 Å²	91	39%	0.394	45%	0.451	S	S	.	.	S	Bend	trans	-135	148.6	-175.2	-61.6	-38.7	0	0	0	113.3	H140 Y141	H136-H140 HydrophobicContact CB-CB 3.74Å; H136-H140 AromaticContact CD2-CD2 3.59Å; H136-H140 AromaticContact CD2-CE1 3.97Å; H136-H140 AromaticContact CD2-NE2 3.47Å; H136-H140 PolarHBondContact CD2-NE2 3.37Å; H136-H140 AromaticContact CG-CD2 3.75Å; H136-H140 AromaticContact CG-CG 3.91Å; H136-H140 AromaticContact CG-NE2 3.98Å; H136-Y141 HydrophobicContact CB-CE2 4.26Å
137	P	75.1	Confident	69.5	Low	76 Å²	76	95 Å²	95	49%	0.494	45%	0.453	S	S	.	.			trans	-66	157.6	173.7	29.3	-35.1	0	0	0	110.9	E139 H140	P137-E139 PolarHBondContact O-N 3.17Å; P137-E139 VanDerWaalsContact O-N 3.15Å; P137-H140 HydrophobicContact CG-CB 4.35Å; P137-H140 VanDerWaalsContact O-CB 3.23Å; P137-H140 WeakPolarHBondContact O-CB 3.35Å; P137-H140 PolarHBondContact O-N 3.25Å
138	P	77.6	Confident	71.6	Confident	54 Å²	54	92.2 Å²	92.2	35%	0.351	43%	0.434	S	S	.	.	H	α-helix	trans	-54.8	-35.9	178.9	22	-32.8	0	0	0	112.5	H140 Y141 L142 V171 H177	P138-H140 PolarHBondContact O-N 3.12Å; P138-H140 VanDerWaalsContact O-N 3.12Å; P138-Y141 WeakPolarHBondContact O-CB 3.34Å; P138-Y141 PolarHBondContact O-N 2.91Å; P138-L142 PolarHBondContact O-N 3.48Å; P138-V171 HydrophobicContact CB-CG1 4.12Å; P138-H177 PolarHBondContact O-NE2 2.95Å
139	E	81.7	Confident	73.8	Confident	130 Å²	130	84.8 Å²	84.8	61%	0.607	41%	0.407	S	S	*	.	H	α-helix	trans	-56.2	-29.9	176.1	-63.8	-179.6	-168.4	0	0	114.5	P137 L142 K143	P137-E139 PolarHBondContact O-N 3.17Å; P137-E139 VanDerWaalsContact O-N 3.15Å; E139-L142 PolarHBondContact O-N 3.38Å; E139-K143 WeakPolarHBondContact O-CG 3.36Å; E139-K143 PolarHBondContact O-N 3.47Å; E139-K143 VanDerWaalsContact O-N 3.11Å
140	H	84.5	Confident	75.6	Confident	67 Å²	67	87.9 Å²	87.9	31%	0.31	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-45.7	176.4	178.6	85.2	0	0	0	110.8	H136 P137 P138 K143 L144	H136-H140 HydrophobicContact CB-CB 3.74Å; H136-H140 AromaticContact CD2-CD2 3.59Å; H136-H140 AromaticContact CD2-CE1 3.97Å; H136-H140 AromaticContact CD2-NE2 3.47Å; H136-H140 PolarHBondContact CD2-NE2 3.37Å; H136-H140 AromaticContact CG-CD2 3.75Å; H136-H140 AromaticContact CG-CG 3.91Å; H136-H140 AromaticContact CG-NE2 3.98Å; P137-H140 HydrophobicContact CG-CB 4.35Å; P137-H140 VanDerWaalsContact O-CB 3.23Å; P137-H140 WeakPolarHBondContact O-CB 3.35Å; P137-H140 PolarHBondContact O-N 3.25Å; P138-H140 PolarHBondContact O-N 3.12Å; P138-H140 VanDerWaalsContact O-N 3.12Å; H140-K143 PolarHBondContact O-N 3.12Å; H140-L144 WeakPolarHBondContact NE2-CD1 3.46Å; H140-L144 PolarHBondContact O-N 3.16Å; H140-L144 VanDerWaalsContact O-N 3.09Å
141	Y	86.8	Confident	77.3	Confident	6 Å²	6	89 Å²	89	2%	0.024	43%	0.426	C	S	.	.	H	α-helix	trans	-64.1	-42	177.2	-69.2	-73.5	0	0	0	111.5	H136 P138 K143 L144 I145 V160 E164 M165 D169 V171	H136-Y141 HydrophobicContact CB-CE2 4.26Å; P138-Y141 WeakPolarHBondContact O-CB 3.34Å; P138-Y141 PolarHBondContact O-N 2.91Å; Y141-K143 VanDerWaalsContact C-N 3.31Å; Y141-K143 PolarHBondContact O-N 2.96Å; Y141-L144 PolarHBondContact O-N 3.43Å; Y141-I145 WeakPolarHBondContact O-CB 3.49Å; Y141-I145 VanDerWaalsContact O-CG1 3.25Å; Y141-I145 WeakPolarHBondContact O-CG1 3.41Å; Y141-I145 PolarHBondContact O-N 2.93Å; Y141-V160 HydrophobicContact CD1-CG1 3.77Å; Y141-V160 HydrophobicContact CE1-CG1 4.45Å; Y141-E164 HydrophobicContact CE1-CB 3.91Å; Y141-M165 HydrophobicContact CD1-CB 3.84Å; Y141-M165 HydrophobicContact CD1-CG 4.22Å; Y141-M165 HydrophobicContact CD2-CG 4.17Å; Y141-M165 HydrophobicContact CE1-CB 4.07Å; Y141-M165 HydrophobicContact CG-CB 4.12Å; Y141-M165 HydrophobicContact CG-CG 3.98Å; Y141-M165 HydrophobicContact CG-SD 4.22Å; Y141-D169 HydrophobicContact CE2-CB 4.48Å; Y141-D169 VanDerWaalsContact OH-CB 3.29Å; Y141-D169 WeakPolarHBondContact OH-CB 3.47Å; Y141-D169 PolarHBondContact OH-OD2 2.8Å; Y141-V171 HydrophobicContact CE2-CG2 4.11Å
142	L	89.8	Confident	78.8	Confident	43 Å²	43	83.8 Å²	83.8	23%	0.225	42%	0.415	C	S	.	.	H	α-helix	trans	-58.1	-43.1	175.9	-176.5	61.5	0	0	0	112.1	P138 E139 K146 V176 M180	P138-L142 PolarHBondContact O-N 3.48Å; E139-L142 PolarHBondContact O-N 3.38Å; L142-K146 VanDerWaalsContact O-CB 3.24Å; L142-K146 WeakPolarHBondContact O-CB 3.27Å; L142-K146 PolarHBondContact O-N 3.45Å; L142-V176 HydrophobicContact CD1-CG1 3.94Å; L142-V176 HydrophobicContact CD2-CG1 4Å; L142-M180 HydrophobicContact CD1-CB 4.2Å; L142-M180 HydrophobicContact CD1-CG 4.46Å
143	K	89.4	Confident	80.9	Confident	147 Å²	147	80.2 Å²	80.2	64%	0.639	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-43	177	-72.6	174.8	-177	173.6	0	112.2	E139 H140 Y141 R147	E139-K143 WeakPolarHBondContact O-CG 3.36Å; E139-K143 PolarHBondContact O-N 3.47Å; E139-K143 VanDerWaalsContact O-N 3.11Å; H140-K143 PolarHBondContact O-N 3.12Å; Y141-K143 VanDerWaalsContact C-N 3.31Å; Y141-K143 PolarHBondContact O-N 2.96Å; K143-R147 WeakPolarHBondContact O-CB 3.44Å; K143-R147 PolarHBondContact O-N 3.45Å
144	L	89.3	Confident	82.9	Confident	34 Å²	34	76.3 Å²	76.3	18%	0.178	37%	0.371	C	S	.	.	H	α-helix	trans	-63.4	-50	176.7	-73	177.4	0	0	0	111.6	H140 Y141 K146 R147 Y148 V160	H140-L144 WeakPolarHBondContact NE2-CD1 3.46Å; H140-L144 PolarHBondContact O-N 3.16Å; H140-L144 VanDerWaalsContact O-N 3.09Å; Y141-L144 PolarHBondContact O-N 3.43Å; L144-K146 VanDerWaalsContact C-N 3.34Å; L144-K146 PolarHBondContact O-N 2.96Å; L144-R147 WeakPolarHBondContact O-CB 3.34Å; L144-R147 PolarHBondContact O-N 2.96Å; L144-R147 VanDerWaalsContact O-N 3.17Å; L144-Y148 HydrophobicContact CB-CE2 4.38Å; L144-Y148 WeakPolarHBondContact O-CD2 3.5Å; L144-Y148 PolarHBondContact O-N 3.05Å; L144-V160 HydrophobicContact CB-CG1 4.2Å; L144-V160 HydrophobicContact CD1-CG1 4.43Å
145	I	91	Very high	84.7	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-57.5	-49.1	177.1	-68.3	167.4	0	0	0	109.8	Y141 R147 Y148 C149 V160 F161 M180 V181	Y141-I145 WeakPolarHBondContact O-CB 3.49Å; Y141-I145 VanDerWaalsContact O-CG1 3.25Å; Y141-I145 WeakPolarHBondContact O-CG1 3.41Å; Y141-I145 PolarHBondContact O-N 2.93Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 3.26Å; I145-Y148 PolarHBondContact O-N 3.47Å; I145-C149 WeakPolarHBondContact O-CB 3.31Å; I145-C149 PolarHBondContact O-N 3.41Å; I145-C149 PolarHBondContact O-SG 2.94Å; I145-V160 HydrophobicContact CD1-CG1 4.48Å; I145-V160 HydrophobicContact CG1-CB 4.34Å; I145-V160 HydrophobicContact CG1-CG1 3.91Å; I145-F161 HydrophobicContact CD1-CB 4.32Å; I145-F161 HydrophobicContact CD1-CD2 4.08Å; I145-M180 HydrophobicContact CG2-CB 4.11Å; I145-M180 HydrophobicContact CG2-CG 3.77Å; I145-V181 HydrophobicContact CD1-CG2 4.08Å; I145-V181 HydrophobicContact CG1-CG2 4.43Å; I145-V181 HydrophobicContact CG2-CG2 3.53Å
146	K	91.3	Very high	86.2	Confident	72 Å²	72	68.6 Å²	68.6	31%	0.313	35%	0.349	S	S	.	.	H	α-helix	trans	-58.1	-41.3	178.2	-171.6	172.4	-174.5	173.7	0	111.7	L142 L144 R150 M180	L142-K146 VanDerWaalsContact O-CB 3.24Å; L142-K146 WeakPolarHBondContact O-CB 3.27Å; L142-K146 PolarHBondContact O-N 3.45Å; L144-K146 VanDerWaalsContact C-N 3.34Å; L144-K146 PolarHBondContact O-N 2.96Å; K146-R150 VanDerWaalsContact CE-CZ 3.5Å; K146-R150 WeakPolarHBondContact O-CB 3.4Å; K146-R150 VanDerWaalsContact O-CG 3.29Å; K146-R150 WeakPolarHBondContact O-CG 3.48Å; K146-R150 PolarHBondContact O-N 3.19Å; K146-M180 HydrophobicContact CB-CE 4.5Å; K146-M180 HydrophobicContact CB-CG 4.27Å; K146-M180 HydrophobicContact CB-SD 4.12Å; K146-M180 HydrophobicContact CD-CE 4.15Å; K146-M180 HydrophobicContact CG-CE 4.23Å; K146-M180 HydrophobicContact CG-SD 3.97Å
147	R	90.5	Very high	87.3	Confident	177 Å²	177	64.6 Å²	64.6	67%	0.668	33%	0.331	S	S	*	.	H	α-helix	trans	-62.9	-49.7	176.1	-177.1	-177.7	174.2	-165.7	-2.9	111.7	K143 L144 I145 R150 A151	K143-R147 WeakPolarHBondContact O-CB 3.44Å; K143-R147 PolarHBondContact O-N 3.45Å; L144-R147 WeakPolarHBondContact O-CB 3.34Å; L144-R147 PolarHBondContact O-N 2.96Å; L144-R147 VanDerWaalsContact O-N 3.17Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 3.26Å; R147-R150 PolarHBondContact O-N 3.47Å; R147-A151 PolarHBondContact O-N 3.49Å
148	Y	90.8	Very high	88.1	Confident	72 Å²	72	61.3 Å²	61.3	28%	0.282	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-41.9	179.8	-72	-59.2	0	0	0	112.4	L144 I145 R150 A151 G152 D153 V160	L144-Y148 HydrophobicContact CB-CE2 4.38Å; L144-Y148 WeakPolarHBondContact O-CD2 3.5Å; L144-Y148 PolarHBondContact O-N 3.05Å; I145-Y148 PolarHBondContact O-N 3.47Å; Y148-R150 VanDerWaalsContact C-N 3.32Å; Y148-R150 PolarHBondContact O-N 3.03Å; Y148-A151 CarbonylContact O-C 3.51Å; Y148-A151 PolarHBondContact O-N 3.13Å; Y148-A151 VanDerWaalsContact O-N 3.15Å; Y148-G152 PolarHBondContact O-N 2.93Å; Y148-G152 VanDerWaalsContact O-N 3.15Å; Y148-D153 PolarHBondContact O-N 3.21Å; Y148-D153 VanDerWaalsContact O-N 3.11Å; Y148-V160 HydrophobicContact CD2-CG2 3.99Å; Y148-V160 HydrophobicContact CE2-CG2 3.71Å
149	C	88.1	Confident	88.9	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.054	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-32.9	175.6	-67	0	0	0	0	112.7	I145 G152	I145-C149 WeakPolarHBondContact O-CB 3.31Å; I145-C149 PolarHBondContact O-N 3.41Å; I145-C149 PolarHBondContact O-SG 2.94Å; C149-G152 PolarHBondContact O-N 2.75Å
150	R	87.7	Confident	89.3	Confident	143 Å²	143	55.1 Å²	55.1	54%	0.54	28%	0.282	S	S	.	.	H	α-helix	trans	-70.5	-33.2	172.3	-79.2	179.7	170.5	-173.6	-8.1	112.4	E107 K146 R147 Y148 G152	E107-R150 IonicContact OE1-NH2 3.89Å; E107-R150 IonicContact OE2-NH2 3.2Å; E107-R150 PolarHBondContact OE2-NH2 2.9Å; K146-R150 VanDerWaalsContact CE-CZ 3.5Å; K146-R150 WeakPolarHBondContact O-CB 3.4Å; K146-R150 VanDerWaalsContact O-CG 3.29Å; K146-R150 WeakPolarHBondContact O-CG 3.48Å; K146-R150 PolarHBondContact O-N 3.19Å; R147-R150 PolarHBondContact O-N 3.47Å; Y148-R150 VanDerWaalsContact C-N 3.32Å; Y148-R150 PolarHBondContact O-N 3.03Å; R150-G152 PolarHBondContact O-N 3.33Å
151	A	84.7	Confident	89.7	Confident	79 Å²	79	52 Å²	52	65%	0.653	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.6	174.8	0	0	0	0	0	113.9	R147 Y148 D153	R147-A151 PolarHBondContact O-N 3.49Å; Y148-A151 CarbonylContact O-C 3.51Å; Y148-A151 PolarHBondContact O-N 3.13Å; Y148-A151 VanDerWaalsContact O-N 3.15Å; A151-D153 PolarHBondContact O-N 3.31Å
152	G	82.9	Confident	89.9	Confident	43 Å²	43	53.3 Å²	53.3	44%	0.443	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-3.1	-176.2	0	0	0	0	0	114.8	Y148 C149 R150 T154	Y148-G152 PolarHBondContact O-N 2.93Å; Y148-G152 VanDerWaalsContact O-N 3.15Å; C149-G152 PolarHBondContact O-N 2.75Å; R150-G152 PolarHBondContact O-N 3.33Å; G152-T154 VanDerWaalsContact C-N 3.34Å; G152-T154 PolarHBondContact O-N 3.47Å
153	D	88.9	Confident	89.9	Confident	61 Å²	61	53 Å²	53	33%	0.326	27%	0.274	S	S	.	.			trans	-82.8	77.1	178.1	-172.4	0.5	0	0	0	111.3	Y148 A151 N155 S156 A157	Y148-D153 PolarHBondContact O-N 3.21Å; Y148-D153 VanDerWaalsContact O-N 3.11Å; A151-D153 PolarHBondContact O-N 3.31Å; D153-N155 PolarHBondContact O-N 3Å; D153-N155 PolarHBondContact OD1-N 3.38Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact O-N 2.89Å; D153-S156 PolarHBondContact OD1-N 3.1Å; D153-S156 VanDerWaalsContact OD1-N 3.08Å; D153-S156 PolarHBondContact OD1-OG 3.42Å; D153-S156 WeakPolarHBondContact OD2-CB 3.5Å; D153-S156 PolarHBondContact OD2-OG 3.47Å; D153-A157 PolarHBondContact O-N 3.42Å
154	T	89.2	Confident	89.7	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-25.1	178	52.6	0	0	0	0	113	G152 A157 L158 G184 L185 V188	G152-T154 VanDerWaalsContact C-N 3.34Å; G152-T154 PolarHBondContact O-N 3.47Å; T154-A157 PolarHBondContact O-N 2.88Å; T154-L158 WeakPolarHBondContact O-CB 3.45Å; T154-L158 VanDerWaalsContact O-CG 3.23Å; T154-L158 WeakPolarHBondContact O-CG 3.25Å; T154-L158 PolarHBondContact O-N 2.66Å; T154-G184 WeakPolarHBondContact CG2-O 3.29Å; T154-L185 HydrophobicContact CG2-CD2 4.18Å; T154-V188 HydrophobicContact CG2-CB 4.12Å; T154-V188 HydrophobicContact CG2-CG2 3.48Å; T154-V188 VanDerWaalsContact CG2-CG2 3.48Å
155	N	91.6	Very high	89.6	Confident	100 Å²	100	47.1 Å²	47.1	54%	0.535	25%	0.248	S	C	.	.	H	α-helix	trans	-67.4	-45.1	178.2	-69.5	-51.4	0	0	0	111.1	D153 L158 S159	D153-N155 PolarHBondContact O-N 3Å; D153-N155 PolarHBondContact OD1-N 3.38Å; N155-L158 PolarHBondContact O-N 3.43Å; N155-S159 PolarHBondContact O-N 2.86Å
156	S	91.1	Very high	89.4	Confident	36 Å²	36	48.1 Å²	48.1	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-41.4	173.7	-66.3	0	0	0	0	111.3	D153 L158 S159 V160	D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact O-N 2.89Å; D153-S156 PolarHBondContact OD1-N 3.1Å; D153-S156 VanDerWaalsContact OD1-N 3.08Å; D153-S156 PolarHBondContact OD1-OG 3.42Å; D153-S156 WeakPolarHBondContact OD2-CB 3.5Å; D153-S156 PolarHBondContact OD2-OG 3.47Å; S156-L158 VanDerWaalsContact C-N 3.33Å; S156-L158 PolarHBondContact O-N 3.08Å; S156-S159 WeakPolarHBondContact O-CB 3.38Å; S156-S159 PolarHBondContact O-N 3.49Å; S156-V160 WeakPolarHBondContact O-CG2 3.24Å; S156-V160 PolarHBondContact O-N 3.15Å
157	A	91.7	Very high	89.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-59.2	-42	174.7	0	0	0	0	0	112.6	D153 T154 V160 F161	D153-A157 PolarHBondContact O-N 3.42Å; T154-A157 PolarHBondContact O-N 2.88Å; A157-V160 PolarHBondContact O-N 2.87Å; A157-F161 WeakPolarHBondContact O-CB 3.39Å; A157-F161 PolarHBondContact O-N 3.39Å
158	L	92.7	Very high	88.8	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-40.8	174.9	-75	167.9	0	0	0	112.2	T154 N155 S156 F161 F162 V181 L185 N193 V197	T154-L158 WeakPolarHBondContact O-CB 3.45Å; T154-L158 VanDerWaalsContact O-CG 3.23Å; T154-L158 WeakPolarHBondContact O-CG 3.25Å; T154-L158 PolarHBondContact O-N 2.66Å; N155-L158 PolarHBondContact O-N 3.43Å; S156-L158 VanDerWaalsContact C-N 3.33Å; S156-L158 PolarHBondContact O-N 3.08Å; L158-F161 PolarHBondContact O-N 2.79Å; L158-F162 HydrophobicContact CD2-CD2 4.09Å; L158-F162 HydrophobicContact CD2-CE2 3.76Å; L158-F162 WeakPolarHBondContact O-CB 2.85Å; L158-F162 WeakPolarHBondContact O-CD2 3.34Å; L158-F162 PolarHBondContact O-N 2.72Å; L158-V181 HydrophobicContact CD2-CG1 4.05Å; L158-L185 HydrophobicContact CD1-CD2 4.04Å; L158-L185 HydrophobicContact CD2-CD1 4.17Å; L158-L185 HydrophobicContact CD2-CD2 4.44Å; L158-L185 HydrophobicContact CG-CD2 4.31Å; L158-N193 HydrophobicContact CD1-CB 3.7Å; L158-N193 HydrophobicContact CD2-CB 4.18Å; L158-V197 HydrophobicContact CD2-CG2 3.95Å
159	S	93.1	Very high	88.3	Confident	54 Å²	54	46.8 Å²	46.8	38%	0.378	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-43.9	175.5	178.3	0	0	0	0	111.4	N155 S156 F161 S163 E164	N155-S159 PolarHBondContact O-N 2.86Å; S156-S159 WeakPolarHBondContact O-CB 3.38Å; S156-S159 PolarHBondContact O-N 3.49Å; S159-F161 PolarHBondContact O-N 2.65Å; S159-S163 WeakPolarHBondContact O-CA 3.37Å; S159-S163 VanDerWaalsContact O-CB 3.32Å; S159-S163 WeakPolarHBondContact O-CB 3.29Å; S159-S163 PolarHBondContact O-N 2.86Å; S159-E164 PolarHBondContact O-N 2.99Å; S159-E164 VanDerWaalsContact O-N 3.1Å
160	V	91.5	Very high	87.9	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	28%	0.282	C	S	.	.	I	π-helix	trans	-62	-44.4	175.8	174.9	0	0	0	0	110.6	Y141 L144 I145 Y148 S156 A157 E164 M165	Y141-V160 HydrophobicContact CD1-CG1 3.77Å; Y141-V160 HydrophobicContact CE1-CG1 4.45Å; L144-V160 HydrophobicContact CB-CG1 4.2Å; L144-V160 HydrophobicContact CD1-CG1 4.43Å; I145-V160 HydrophobicContact CD1-CG1 4.48Å; I145-V160 HydrophobicContact CG1-CB 4.34Å; I145-V160 HydrophobicContact CG1-CG1 3.91Å; Y148-V160 HydrophobicContact CD2-CG2 3.99Å; Y148-V160 HydrophobicContact CE2-CG2 3.71Å; S156-V160 WeakPolarHBondContact O-CG2 3.24Å; S156-V160 PolarHBondContact O-N 3.15Å; A157-V160 PolarHBondContact O-N 2.87Å; V160-E164 PolarHBondContact O-N 3.17Å; V160-M165 VanDerWaalsContact O-CB 3.29Å; V160-M165 WeakPolarHBondContact O-CB 3.34Å; V160-M165 PolarHBondContact O-N 3.09Å
161	F	91.5	Very high	87.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-69.2	-49.1	-179	-174	-92.4	0	0	0	113.5	I145 A157 L158 S159 L166 P173 H177 A178 V181 V197	I145-F161 HydrophobicContact CD1-CB 4.32Å; I145-F161 HydrophobicContact CD1-CD2 4.08Å; A157-F161 WeakPolarHBondContact O-CB 3.39Å; A157-F161 PolarHBondContact O-N 3.39Å; L158-F161 PolarHBondContact O-N 2.79Å; S159-F161 PolarHBondContact O-N 2.65Å; F161-L166 HydrophobicContact CD1-CD1 4.35Å; F161-L166 HydrophobicContact CE1-CD1 4.1Å; F161-L166 WeakPolarHBondContact O-CG 3.46Å; F161-L166 PolarHBondContact O-N 3.39Å; F161-P173 HydrophobicContact CE2-CB 3.63Å; F161-P173 HydrophobicContact CE2-CG 4.04Å; F161-P173 HydrophobicContact CZ-CB 3.99Å; F161-P173 HydrophobicContact CZ-CG 3.88Å; F161-H177 HydrophobicContact CE2-CB 4.17Å; F161-A178 HydrophobicContact CE2-CB 4.23Å; F161-A178 HydrophobicContact CZ-CB 4.21Å; F161-V181 HydrophobicContact CB-CG2 4.07Å; F161-V181 HydrophobicContact CD2-CG2 3.78Å; F161-V181 HydrophobicContact CE2-CG2 4.48Å; F161-V181 HydrophobicContact CG-CG2 4.04Å; F161-V197 HydrophobicContact CE1-CG1 4.2Å; F161-V197 HydrophobicContact CZ-CG1 4.23Å
162	F	91.9	Very high	87.5	Confident	34 Å²	34	45.8 Å²	45.8	15%	0.149	24%	0.24	C	C	.	.	I	π-helix	trans	-83.8	-42.8	-175.9	-76.9	-76.8	0	0	0	113.2	L158 L166 E167 R196 V197 K200	L158-F162 HydrophobicContact CD2-CD2 4.09Å; L158-F162 HydrophobicContact CD2-CE2 3.76Å; L158-F162 WeakPolarHBondContact O-CB 2.85Å; L158-F162 WeakPolarHBondContact O-CD2 3.34Å; L158-F162 PolarHBondContact O-N 2.72Å; F162-L166 HydrophobicContact CD1-CD1 4.29Å; F162-L166 WeakPolarHBondContact O-CB 3.32Å; F162-E167 WeakPolarHBondContact O-CG 3.35Å; F162-E167 PolarHBondContact O-N 2.76Å; F162-R196 HydrophobicContact CE1-CG 4.46Å; F162-R196 HydrophobicContact CZ-CB 4.49Å; F162-R196 HydrophobicContact CZ-CG 3.92Å; F162-V197 HydrophobicContact CE2-CG2 3.76Å; F162-V197 HydrophobicContact CZ-CG2 3.97Å; F162-K200 HydrophobicContact CD1-CG 4.5Å; F162-K200 HydrophobicContact CE1-CB 3.84Å; F162-K200 HydrophobicContact CE1-CD 4.45Å; F162-K200 HydrophobicContact CE1-CG 3.83Å; F162-K200 HydrophobicContact CZ-CB 4.27Å
163	S	88.8	Confident	87.6	Confident	37 Å²	37	43.9 Å²	43.9	26%	0.259	22%	0.219	S	C	.	.	I	π-helix	trans	-97.2	-48.9	-172.4	-67	0	0	0	0	113	S159 E167 K168	S159-S163 WeakPolarHBondContact O-CA 3.37Å; S159-S163 VanDerWaalsContact O-CB 3.32Å; S159-S163 WeakPolarHBondContact O-CB 3.29Å; S159-S163 PolarHBondContact O-N 2.86Å; S163-E167 WeakPolarHBondContact CA-OE2 3.39Å; S163-E167 WeakPolarHBondContact O-CB 3.33Å; S163-E167 PolarHBondContact O-N 3.24Å; S163-E167 PolarHBondContact OG-OE2 3.1Å; S163-E167 VanDerWaalsContact OG-OE2 3.04Å; S163-K168 WeakPolarHBondContact O-CG 3.49Å; S163-K168 PolarHBondContact O-N 2.98Å
164	E	86.4	Confident	87.5	Confident	58 Å²	58	42.5 Å²	42.5	27%	0.271	22%	0.215	S	C	.	.	I	π-helix	trans	-72.8	-52.2	-178.2	-59.8	178.3	-159.1	0	0	111.5	Y141 S159 V160 K168 D169	Y141-E164 HydrophobicContact CE1-CB 3.91Å; S159-E164 PolarHBondContact O-N 2.99Å; S159-E164 VanDerWaalsContact O-N 3.1Å; V160-E164 PolarHBondContact O-N 3.17Å; E164-K168 HydrophobicContact CG-CD 4.45Å; E164-K168 WeakPolarHBondContact O-CB 3.31Å; E164-D169 PolarHBondContact O-N 3.04Å
165	M	87.1	Confident	87.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-73.2	-52.4	-175.5	-169.3	179.1	-170.8	0	0	112.3	Y141 V160 R170 V171 P173	Y141-M165 HydrophobicContact CD1-CB 3.84Å; Y141-M165 HydrophobicContact CD1-CG 4.22Å; Y141-M165 HydrophobicContact CD2-CG 4.17Å; Y141-M165 HydrophobicContact CE1-CB 4.07Å; Y141-M165 HydrophobicContact CG-CB 4.12Å; Y141-M165 HydrophobicContact CG-CG 3.98Å; Y141-M165 HydrophobicContact CG-SD 4.22Å; V160-M165 VanDerWaalsContact O-CB 3.29Å; V160-M165 WeakPolarHBondContact O-CB 3.34Å; V160-M165 PolarHBondContact O-N 3.09Å; M165-R170 CarbonylContact O-C 3.58Å; M165-R170 WeakPolarHBondContact O-CA 3.25Å; M165-R170 PolarHBondContact O-N 3.28Å; M165-V171 HydrophobicContact CE-CB 4.24Å; M165-V171 HydrophobicContact CE-CG1 3.67Å; M165-V171 HydrophobicContact CG-CB 3.94Å; M165-V171 HydrophobicContact CG-CG1 4.37Å; M165-V171 PolarHBondContact O-N 3.27Å; M165-P173 HydrophobicContact CE-CB 3.86Å; M165-P173 HydrophobicContact SD-CB 3.95Å
166	L	86.7	Confident	87.6	Confident	21 Å²	21	42 Å²	42	11%	0.11	21%	0.212	C	C	.	.	I	π-helix	trans	-85.2	-40	-173.4	-71.9	171.9	0	0	0	114.5	F161 F162 R170 P173 K200 L204	F161-L166 HydrophobicContact CD1-CD1 4.35Å; F161-L166 HydrophobicContact CE1-CD1 4.1Å; F161-L166 WeakPolarHBondContact O-CG 3.46Å; F161-L166 PolarHBondContact O-N 3.39Å; F162-L166 HydrophobicContact CD1-CD1 4.29Å; F162-L166 WeakPolarHBondContact O-CB 3.32Å; L166-R170 WeakPolarHBondContact O-CA 3.47Å; L166-P173 VanDerWaalsContact CD2-CD 3.4Å; L166-P173 HydrophobicContact CD2-CG 3.99Å; L166-K200 HydrophobicContact CD1-CD 4.44Å; L166-K200 HydrophobicContact CD1-CG 3.85Å; L166-L204 HydrophobicContact CD1-CD1 4.26Å; L166-L204 HydrophobicContact CD2-CD1 3.75Å; L166-L204 HydrophobicContact CD2-CD2 4.3Å
167	E	85.1	Confident	87.5	Confident	126 Å²	126	40.6 Å²	40.6	59%	0.589	20%	0.201	S	C	*	.	I	π-helix	trans	-90.7	-50.6	-175.2	-67.2	168.2	170.3	0	0	113.1	F162 S163	F162-E167 WeakPolarHBondContact O-CG 3.35Å; F162-E167 PolarHBondContact O-N 2.76Å; S163-E167 WeakPolarHBondContact CA-OE2 3.39Å; S163-E167 WeakPolarHBondContact O-CB 3.33Å; S163-E167 PolarHBondContact O-N 3.24Å; S163-E167 PolarHBondContact OG-OE2 3.1Å; S163-E167 VanDerWaalsContact OG-OE2 3.04Å
168	K	82.3	Confident	87.6	Confident	146 Å²	146	40.6 Å²	40.6	64%	0.635	20%	0.201	S	C	*	.	I	π-helix	trans	-77.1	-62.4	-175.3	-67.6	178.9	-172.7	171.8	0	112	S163 E164	S163-K168 WeakPolarHBondContact O-CG 3.49Å; S163-K168 PolarHBondContact O-N 2.98Å; E164-K168 HydrophobicContact CG-CD 4.45Å; E164-K168 WeakPolarHBondContact O-CB 3.31Å
169	D	80.5	Confident	87.6	Confident	20 Å²	20	41.1 Å²	41.1	11%	0.107	20%	0.203	C	C	.	.	S	Bend	trans	-88.6	-11.1	-175.4	-82.5	25.4	0	0	0	113	H135 Y141 E164 V171	H135-D169 IonicContact CD2-OD1 3.96Å; Y141-D169 HydrophobicContact CE2-CB 4.48Å; Y141-D169 VanDerWaalsContact OH-CB 3.29Å; Y141-D169 WeakPolarHBondContact OH-CB 3.47Å; Y141-D169 PolarHBondContact OH-OD2 2.8Å; E164-D169 PolarHBondContact O-N 3.04Å; D169-V171 HydrophobicContact CB-CG2 3.94Å; D169-V171 PolarHBondContact O-N 3.4Å; D169-V171 VanDerWaalsContact O-N 3.14Å
170	R	81.3	Confident	87.6	Confident	154 Å²	154	40.5 Å²	40.5	58%	0.581	20%	0.195	S	C	*	.			trans	51.8	36.1	178.6	-57.3	-179	178.8	-134.8	-0.1	113.2	L129 M165 L166	L129-R170 VanDerWaalsContact CB-O 3.31Å; L129-R170 WeakPolarHBondContact CB-O 3.33Å; L129-R170 VanDerWaalsContact O-O 3.06Å; M165-R170 CarbonylContact O-C 3.58Å; M165-R170 WeakPolarHBondContact O-CA 3.25Å; M165-R170 PolarHBondContact O-N 3.28Å; L166-R170 WeakPolarHBondContact O-CA 3.47Å
171	V	80.8	Confident	87.7	Confident	10 Å²	10	40.5 Å²	40.5	6%	0.061	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-82.4	129	175.4	-179.6	0	0	0	0	108.8	P138 Y141 M165 D169 P173	P138-V171 HydrophobicContact CB-CG1 4.12Å; Y141-V171 HydrophobicContact CE2-CG2 4.11Å; M165-V171 HydrophobicContact CE-CB 4.24Å; M165-V171 HydrophobicContact CE-CG1 3.67Å; M165-V171 HydrophobicContact CG-CB 3.94Å; M165-V171 HydrophobicContact CG-CG1 4.37Å; M165-V171 PolarHBondContact O-N 3.27Å; D169-V171 HydrophobicContact CB-CG2 3.94Å; D169-V171 PolarHBondContact O-N 3.4Å; D169-V171 VanDerWaalsContact O-N 3.14Å; V171-P173 WeakPolarHBondContact O-CD 3.25Å
172	L	81.9	Confident	87.8	Confident	46 Å²	46	40.6 Å²	40.6	24%	0.241	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-73	122.9	175.9	-168.9	72.2	0	0	0	109.5	L129 L204	L129-L172 HydrophobicContact CD1-CD1 3.83Å; L129-L172 HydrophobicContact CG-CD1 4.42Å; L172-L204 HydrophobicContact CD1-CB 4.18Å; L172-L204 HydrophobicContact CD1-CD1 4.44Å; L172-L204 HydrophobicContact CD1-CD2 3.95Å; L172-L204 HydrophobicContact CD1-CG 4.42Å
173	P	85.9	Confident	87.8	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.013	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-67.4	134.1	174.3	25	-31.1	0	0	0	110.6	F161 M165 L166 V171 H177 L204 I206	F161-P173 HydrophobicContact CE2-CB 3.63Å; F161-P173 HydrophobicContact CE2-CG 4.04Å; F161-P173 HydrophobicContact CZ-CB 3.99Å; F161-P173 HydrophobicContact CZ-CG 3.88Å; M165-P173 HydrophobicContact CE-CB 3.86Å; M165-P173 HydrophobicContact SD-CB 3.95Å; L166-P173 VanDerWaalsContact CD2-CD 3.4Å; L166-P173 HydrophobicContact CD2-CG 3.99Å; V171-P173 WeakPolarHBondContact O-CD 3.25Å; P173-H177 HydrophobicContact CB-CB 3.99Å; P173-L204 HydrophobicContact CG-CD1 3.6Å; P173-I206 HydrophobicContact CB-CD1 4.49Å; P173-I206 HydrophobicContact CG-CD1 4.02Å; P173-I206 WeakPolarHBondContact O-CD1 3.36Å
174	S	86.2	Confident	87.9	Confident	33 Å²	33	39 Å²	39	23%	0.231	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-74.5	166.4	161.8	77.7	0	0	0	0	110.1	V176 H177 A178	S174-V176 PolarHBondContact O-N 2.95Å; S174-V176 PolarHBondContact OG-N 3.29Å; S174-H177 PolarHBondContact N-ND1 3.38Å; S174-H177 WeakPolarHBondContact O-CB 3.32Å; S174-H177 PolarHBondContact O-N 3.28Å; S174-H177 VanDerWaalsContact O-N 3.08Å; S174-H177 PolarHBondContact OG-CE1 2.72Å; S174-H177 VanDerWaalsContact OG-CE1 3.27Å; S174-H177 PolarHBondContact OG-ND1 2.91Å; S174-A178 PolarHBondContact O-N 2.7Å
175	R	91	Very high	88.2	Confident	25 Å²	25	36.3 Å²	36.3	9%	0.094	17%	0.174	C	C	.	.	H	α-helix	trans	-53.4	-39.1	175.3	178.3	165.9	49.3	141.7	-6.5	113	E118 E121 H177 A178 H179 I206	E118-R175 IonicContact OE1-CZ 3.67Å; E118-R175 IonicContact OE1-NH1 3.84Å; E118-R175 PolarHBondContact OE1-NH1 2.88Å; E118-R175 IonicContact OE1-NH2 3.08Å; E118-R175 IonicContact OE2-CZ 3.67Å; E118-R175 IonicContact OE2-NH1 2.88Å; E118-R175 PolarHBondContact OE2-NH1 3.04Å; E118-R175 IonicContact OE2-NH2 3.72Å; E118-R175 PolarHBondContact OE2-NH2 3.4Å; E121-R175 IonicContact OE1-CZ 3.95Å; E121-R175 IonicContact OE1-NE 2.6Å; E121-R175 PolarHBondContact OE1-NE 3.01Å; E121-R175 IonicContact OE1-NH2 3.55Å; E121-R175 PolarHBondContact OE1-NH2 3.33Å; R175-H177 VanDerWaalsContact C-N 3.31Å; R175-H177 PolarHBondContact O-N 3.23Å; R175-A178 PolarHBondContact O-N 3.48Å; R175-A178 VanDerWaalsContact O-N 3.16Å; R175-H179 VanDerWaalsContact CG-CE1 3.43Å; R175-H179 WeakPolarHBondContact CG-CE1 3.26Å; R175-H179 WeakPolarHBondContact CG-NE2 3.11Å; R175-H179 PolarHBondContact O-N 2.91Å; R175-I206 HydrophobicContact CB-CG2 4.04Å
176	V	91	Very high	88.4	Confident	71 Å²	71	36.4 Å²	36.4	43%	0.43	18%	0.175	S	C	.	.	H	α-helix	trans	-59	-39.6	178	-177.1	0	0	0	0	112.2	L142 S174 H179 M180	L142-V176 HydrophobicContact CD1-CG1 3.94Å; L142-V176 HydrophobicContact CD2-CG1 4Å; S174-V176 PolarHBondContact O-N 2.95Å; S174-V176 PolarHBondContact OG-N 3.29Å; V176-H179 PolarHBondContact O-N 3.17Å; V176-M180 WeakPolarHBondContact O-CB 3.38Å; V176-M180 PolarHBondContact O-N 3.26Å
177	H	90.7	Very high	88.5	Confident	8 Å²	8	43 Å²	43	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-47.2	177.3	-60.4	81.8	0	0	0	110.6	P138 F161 P173 S174 R175 M180 V181	P138-H177 PolarHBondContact O-NE2 2.95Å; F161-H177 HydrophobicContact CE2-CB 4.17Å; P173-H177 HydrophobicContact CB-CB 3.99Å; S174-H177 PolarHBondContact N-ND1 3.38Å; S174-H177 WeakPolarHBondContact O-CB 3.32Å; S174-H177 PolarHBondContact O-N 3.28Å; S174-H177 VanDerWaalsContact O-N 3.08Å; S174-H177 PolarHBondContact OG-CE1 2.72Å; S174-H177 VanDerWaalsContact OG-CE1 3.27Å; S174-H177 PolarHBondContact OG-ND1 2.91Å; R175-H177 VanDerWaalsContact C-N 3.31Å; R175-H177 PolarHBondContact O-N 3.23Å; H177-M180 PolarHBondContact O-N 2.89Å; H177-V181 WeakPolarHBondContact O-CG2 3.38Å; H177-V181 PolarHBondContact O-N 3.34Å; H177-V181 VanDerWaalsContact O-N 3.16Å
178	A	92.1	Very high	88.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.6	-40.3	-179.1	0	0	0	0	0	111.8	F161 S174 R175 M180 V181 L182 V197 M201	F161-A178 HydrophobicContact CE2-CB 4.23Å; F161-A178 HydrophobicContact CZ-CB 4.21Å; S174-A178 PolarHBondContact O-N 2.7Å; R175-A178 PolarHBondContact O-N 3.48Å; R175-A178 VanDerWaalsContact O-N 3.16Å; A178-M180 PolarHBondContact O-N 3.1Å; A178-V181 PolarHBondContact O-N 3.42Å; A178-L182 WeakPolarHBondContact O-CB 3.43Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.39Å; A178-L182 PolarHBondContact O-N 3.31Å; A178-V197 HydrophobicContact CB-CG1 4.17Å; A178-M201 HydrophobicContact CB-CE 3.81Å; A178-M201 HydrophobicContact CB-CG 3.53Å; A178-M201 HydrophobicContact CB-SD 3.37Å; A178-M201 WeakPolarHBondContact CB-SD 3.39Å
179	H	93.9	Very high	88.8	Confident	17 Å²	17	33.6 Å²	33.6	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-41.8	174.3	-74.3	-175.6	0	0	0	112.4	R175 V176 V181 L182 D183 T212	R175-H179 VanDerWaalsContact CG-CE1 3.43Å; R175-H179 WeakPolarHBondContact CG-CE1 3.26Å; R175-H179 WeakPolarHBondContact CG-NE2 3.11Å; R175-H179 PolarHBondContact O-N 2.91Å; V176-H179 PolarHBondContact O-N 3.17Å; H179-V181 PolarHBondContact O-N 3.3Å; H179-L182 PolarHBondContact O-N 2.93Å; H179-D183 WeakPolarHBondContact O-CB 3.36Å; H179-D183 PolarHBondContact O-N 3.02Å; H179-T212 PolarHBondContact NE2-OG1 3.32Å
180	M	92.7	Very high	89.3	Confident	41 Å²	41	34.4 Å²	34.4	20%	0.202	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-42.7	176.6	-170.6	64.2	58.4	0	0	112.2	L142 I145 K146 V176 H177 A178 D183 G184	L142-M180 HydrophobicContact CD1-CB 4.2Å; L142-M180 HydrophobicContact CD1-CG 4.46Å; I145-M180 HydrophobicContact CG2-CB 4.11Å; I145-M180 HydrophobicContact CG2-CG 3.77Å; K146-M180 HydrophobicContact CB-CE 4.5Å; K146-M180 HydrophobicContact CB-CG 4.27Å; K146-M180 HydrophobicContact CB-SD 4.12Å; K146-M180 HydrophobicContact CD-CE 4.15Å; K146-M180 HydrophobicContact CG-CE 4.23Å; K146-M180 HydrophobicContact CG-SD 3.97Å; V176-M180 WeakPolarHBondContact O-CB 3.38Å; V176-M180 PolarHBondContact O-N 3.26Å; H177-M180 PolarHBondContact O-N 2.89Å; A178-M180 PolarHBondContact O-N 3.1Å; M180-D183 PolarHBondContact O-N 3.26Å; M180-G184 PolarHBondContact O-N 3.43Å
181	V	93.9	Very high	89.8	Confident	2 Å²	2	27 Å²	27	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-45.8	174.6	178.7	0	0	0	0	110.3	I145 L158 F161 H177 A178 H179 D183 G184 L185 V197	I145-V181 HydrophobicContact CD1-CG2 4.08Å; I145-V181 HydrophobicContact CG1-CG2 4.43Å; I145-V181 HydrophobicContact CG2-CG2 3.53Å; L158-V181 HydrophobicContact CD2-CG1 4.05Å; F161-V181 HydrophobicContact CB-CG2 4.07Å; F161-V181 HydrophobicContact CD2-CG2 3.78Å; F161-V181 HydrophobicContact CE2-CG2 4.48Å; F161-V181 HydrophobicContact CG-CG2 4.04Å; H177-V181 WeakPolarHBondContact O-CG2 3.38Å; H177-V181 PolarHBondContact O-N 3.34Å; H177-V181 VanDerWaalsContact O-N 3.16Å; A178-V181 PolarHBondContact O-N 3.42Å; H179-V181 PolarHBondContact O-N 3.3Å; V181-D183 VanDerWaalsContact C-N 3.3Å; V181-D183 PolarHBondContact O-N 2.87Å; V181-G184 PolarHBondContact O-N 2.88Å; V181-L185 HydrophobicContact CG1-CD1 3.75Å; V181-L185 HydrophobicContact CG1-CG 4.22Å; V181-L185 VanDerWaalsContact O-CG 3.25Å; V181-L185 WeakPolarHBondContact O-CG 3.28Å; V181-L185 PolarHBondContact O-N 3.36Å; V181-V197 HydrophobicContact CG1-CG2 3.8Å
182	L	94.5	Very high	90.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-38.3	177.5	-72.6	173.1	0	0	0	112.1	A178 H179 L185 A186 A194 V197 M201 T212 R215 L216	A178-L182 WeakPolarHBondContact O-CB 3.43Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.39Å; A178-L182 PolarHBondContact O-N 3.31Å; H179-L182 PolarHBondContact O-N 2.93Å; L182-L185 PolarHBondContact O-N 2.91Å; L182-A186 WeakPolarHBondContact O-CB 3Å; L182-A186 PolarHBondContact O-N 3.11Å; L182-A194 HydrophobicContact CD2-CB 3.9Å; L182-A194 WeakPolarHBondContact CD2-O 2.99Å; L182-V197 HydrophobicContact CD2-CB 4.19Å; L182-V197 HydrophobicContact CD2-CG1 4.25Å; L182-V197 HydrophobicContact CG-CG1 4.18Å; L182-M201 HydrophobicContact CD1-SD 4.13Å; L182-T212 HydrophobicContact CD1-CG2 3.99Å; L182-R215 HydrophobicContact CB-CB 4.12Å; L182-L216 HydrophobicContact CD2-CD2 3.96Å
183	D	91.9	Very high	91	Very high	37 Å²	37	32.1 Å²	32.1	20%	0.198	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-44.2	175.2	-77.8	-29.1	0	0	0	111.9	H179 M180 V181 A186 R187 R215	H179-D183 WeakPolarHBondContact O-CB 3.36Å; H179-D183 PolarHBondContact O-N 3.02Å; M180-D183 PolarHBondContact O-N 3.26Å; V181-D183 VanDerWaalsContact C-N 3.3Å; V181-D183 PolarHBondContact O-N 2.87Å; D183-A186 PolarHBondContact O-N 2.89Å; D183-R187 WeakPolarHBondContact O-CG 3.42Å; D183-R187 PolarHBondContact O-N 3.33Å; D183-R187 VanDerWaalsContact O-N 3.14Å; D183-R215 WeakPolarHBondContact OD1-CD 3.11Å; D183-R215 WeakPolarHBondContact OD1-CG 3.27Å; D183-R215 IonicContact OD1-CZ 2.84Å; D183-R215 IonicContact OD1-NE 2.83Å; D183-R215 PolarHBondContact OD1-NE 2.9Å; D183-R215 IonicContact OD1-NH2 2.67Å; D183-R215 IonicContact OD2-CZ 2.69Å; D183-R215 IonicContact OD2-NE 3.29Å; D183-R215 PolarHBondContact OD2-NE 3.09Å; D183-R215 IonicContact OD2-NH2 2.66Å; D183-R215 PolarHBondContact OD2-NH2 3.32Å
184	G	90.5	Very high	91.4	Very high	2 Å²	2	32 Å²	32	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-45.9	173.8	0	0	0	0	0	112.4	T154 M180 V181 A186 R187 V188	T154-G184 WeakPolarHBondContact CG2-O 3.29Å; M180-G184 PolarHBondContact O-N 3.43Å; V181-G184 PolarHBondContact O-N 2.88Å; G184-A186 VanDerWaalsContact C-N 3.34Å; G184-A186 PolarHBondContact O-N 2.85Å; G184-R187 PolarHBondContact O-N 2.95Å; G184-V188 PolarHBondContact O-N 3.4Å
185	L	92.5	Very high	91.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-36.4	177.6	-66.6	169.7	0	0	0	112.4	T154 L158 V181 L182 R187 V188 G189 D190 N193 A194 V197	T154-L185 HydrophobicContact CG2-CD2 4.18Å; L158-L185 HydrophobicContact CD1-CD2 4.04Å; L158-L185 HydrophobicContact CD2-CD1 4.17Å; L158-L185 HydrophobicContact CD2-CD2 4.44Å; L158-L185 HydrophobicContact CG-CD2 4.31Å; V181-L185 HydrophobicContact CG1-CD1 3.75Å; V181-L185 HydrophobicContact CG1-CG 4.22Å; V181-L185 VanDerWaalsContact O-CG 3.25Å; V181-L185 WeakPolarHBondContact O-CG 3.28Å; V181-L185 PolarHBondContact O-N 3.36Å; L182-L185 PolarHBondContact O-N 2.91Å; L185-R187 VanDerWaalsContact C-N 3.28Å; L185-R187 PolarHBondContact O-N 2.91Å; L185-V188 PolarHBondContact O-N 3.44Å; L185-G189 PolarHBondContact O-N 3.29Å; L185-D190 HydrophobicContact CD2-CB 4.08Å; L185-D190 PolarHBondContact O-N 3.39Å; L185-D190 VanDerWaalsContact O-N 3.12Å; L185-N193 HydrophobicContact CD1-CB 4.19Å; L185-N193 HydrophobicContact CD2-CB 3.93Å; L185-A194 HydrophobicContact CB-CB 4.3Å; L185-A194 HydrophobicContact CD1-CB 4.18Å; L185-V197 HydrophobicContact CD1-CG2 4.09Å
186	A	91	Very high	92	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-28.6	177.4	0	0	0	0	0	113	L182 D183 G184 R218 A219 E222	L182-A186 WeakPolarHBondContact O-CB 3Å; L182-A186 PolarHBondContact O-N 3.11Å; D183-A186 PolarHBondContact O-N 2.89Å; G184-A186 VanDerWaalsContact C-N 3.34Å; G184-A186 PolarHBondContact O-N 2.85Å; A186-R218 HydrophobicContact CB-CB 4.32Å; A186-R218 HydrophobicContact CB-CG 4.17Å; A186-A219 HydrophobicContact CB-CB 3.95Å; A186-E222 VanDerWaalsContact O-CB 3.3Å; A186-E222 WeakPolarHBondContact O-CB 3.46Å
187	R	88.4	Confident	92.1	Very high	160 Å²	160	33.4 Å²	33.4	60%	0.604	15%	0.154	S	C	*	.	H	α-helix	trans	-73.1	-38.3	173.6	-69.7	172.8	-169.6	168.5	2.1	112.7	D183 G184 L185	D183-R187 WeakPolarHBondContact O-CG 3.42Å; D183-R187 PolarHBondContact O-N 3.33Å; D183-R187 VanDerWaalsContact O-N 3.14Å; G184-R187 PolarHBondContact O-N 2.95Å; L185-R187 VanDerWaalsContact C-N 3.28Å; L185-R187 PolarHBondContact O-N 2.91Å
188	V	86.9	Confident	92.3	Very high	67 Å²	67	34 Å²	34	41%	0.406	16%	0.156	S	C	.	.	H	α-helix	trans	-79.9	-22.7	179.3	177.1	0	0	0	0	112.1	T154 G184 L185	T154-V188 HydrophobicContact CG2-CB 4.12Å; T154-V188 HydrophobicContact CG2-CG2 3.48Å; T154-V188 VanDerWaalsContact CG2-CG2 3.48Å; G184-V188 PolarHBondContact O-N 3.4Å; L185-V188 PolarHBondContact O-N 3.44Å
189	G	87.5	Confident	92.3	Very high	6 Å²	6	40.1 Å²	40.1	6%	0.062	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	33.8	-176.2	0	0	0	0	0	113.2	L185 S191 D223	L185-G189 PolarHBondContact O-N 3.29Å; G189-S191 PolarHBondContact O-N 3.45Å; G189-D223 WeakPolarHBondContact O-CA 3.34Å; G189-D223 WeakPolarHBondContact O-CB 3.49Å
190	D	90.8	Very high	92.3	Very high	37 Å²	37	42 Å²	42	20%	0.198	19%	0.191	C	C	.	.			trans	-97.7	83.6	177.1	-171.6	-19.1	0	0	0	110.9	L185 E192 N193 A194	L185-D190 HydrophobicContact CD2-CB 4.08Å; L185-D190 PolarHBondContact O-N 3.39Å; L185-D190 VanDerWaalsContact O-N 3.12Å; D190-E192 VanDerWaalsContact C-N 3.29Å; D190-E192 PolarHBondContact O-N 3.37Å; D190-E192 PolarHBondContact OD1-N 2.91Å; D190-N193 PolarHBondContact OD1-N 3.01Å; D190-N193 PolarHBondContact OD2-ND2 2.84Å; D190-A194 WeakPolarHBondContact O-CB 3.46Å; D190-A194 PolarHBondContact O-N 3.19Å
191	S	92.7	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.8	-28.1	-179.4	73.7	0	0	0	0	112.5	G189 A194 F195 D223 K276	G189-S191 PolarHBondContact O-N 3.45Å; S191-A194 PolarHBondContact O-N 3.46Å; S191-F195 WeakPolarHBondContact O-CD2 3.42Å; S191-F195 PolarHBondContact O-N 3.13Å; S191-D223 VanDerWaalsContact CB-OD2 3.25Å; S191-D223 WeakPolarHBondContact CB-OD2 3.01Å; S191-D223 PolarHBondContact OG-OD2 3.32Å; S191-K276 WeakPolarHBondContact OG-CD 3.4Å; S191-K276 PolarHBondContact OG-NZ 2.98Å
192	E	93.3	Very high	92.1	Very high	141 Å²	141	43.3 Å²	43.3	66%	0.659	20%	0.201	S	C	*	.	H	α-helix	trans	-65.4	-51.8	-178.7	-174.2	170.8	175.9	0	0	111.6	D190 A194 F195 R196	D190-E192 VanDerWaalsContact C-N 3.29Å; D190-E192 PolarHBondContact O-N 3.37Å; D190-E192 PolarHBondContact OD1-N 2.91Å; E192-A194 VanDerWaalsContact C-N 3.28Å; E192-A194 PolarHBondContact O-N 3.4Å; E192-F195 PolarHBondContact O-N 2.83Å; E192-R196 PolarHBondContact O-N 3.48Å; E192-R196 VanDerWaalsContact O-N 3.1Å
193	N	93.5	Very high	91.9	Very high	22 Å²	22	48.4 Å²	48.4	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-68.6	-29.6	176.3	-74.2	-45.7	0	0	0	111.9	L158 L185 D190 R196 V197	L158-N193 HydrophobicContact CD1-CB 3.7Å; L158-N193 HydrophobicContact CD2-CB 4.18Å; L185-N193 HydrophobicContact CD1-CB 4.19Å; L185-N193 HydrophobicContact CD2-CB 3.93Å; D190-N193 PolarHBondContact OD1-N 3.01Å; D190-N193 PolarHBondContact OD2-ND2 2.84Å; N193-R196 WeakPolarHBondContact O-CB 3.31Å; N193-R196 PolarHBondContact O-N 2.88Å; N193-R196 PolarHBondContact OD1-NH1 2.92Å; N193-R196 PolarHBondContact OD1-NH2 3.36Å; N193-V197 WeakPolarHBondContact O-CG2 3.47Å; N193-V197 PolarHBondContact O-N 3.31Å
194	A	94.2	Very high	91.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-46.7	175.7	0	0	0	0	0	111.9	L182 L185 D190 S191 E192 R196 V197 Y198 L216 A219	L182-A194 HydrophobicContact CD2-CB 3.9Å; L182-A194 WeakPolarHBondContact CD2-O 2.99Å; L185-A194 HydrophobicContact CB-CB 4.3Å; L185-A194 HydrophobicContact CD1-CB 4.18Å; D190-A194 WeakPolarHBondContact O-CB 3.46Å; D190-A194 PolarHBondContact O-N 3.19Å; S191-A194 PolarHBondContact O-N 3.46Å; E192-A194 VanDerWaalsContact C-N 3.28Å; E192-A194 PolarHBondContact O-N 3.4Å; A194-R196 VanDerWaalsContact C-N 3.27Å; A194-R196 PolarHBondContact O-N 3.4Å; A194-V197 PolarHBondContact O-N 2.91Å; A194-Y198 PolarHBondContact O-N 3.22Å; A194-L216 HydrophobicContact CB-CD2 4.09Å; A194-A219 HydrophobicContact CB-CB 3.89Å
195	F	94.6	Very high	91.6	Very high	40 Å²	40	51 Å²	51	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-27.4	173.9	-79.5	-71.8	0	0	0	112.9	S191 E192 Y198 K199 L216 C220 K276 F280	S191-F195 WeakPolarHBondContact O-CD2 3.42Å; S191-F195 PolarHBondContact O-N 3.13Å; E192-F195 PolarHBondContact O-N 2.83Å; F195-Y198 HydrophobicContact CD1-CD1 4.43Å; F195-Y198 PolarHBondContact O-N 3.41Å; F195-K199 WeakPolarHBondContact O-CB 3.26Å; F195-K199 PolarHBondContact O-N 2.82Å; F195-L216 HydrophobicContact CD1-CD2 4.16Å; F195-L216 HydrophobicContact CE1-CD1 4.31Å; F195-L216 HydrophobicContact CE1-CD2 4.26Å; F195-L216 HydrophobicContact CG-CD2 4.44Å; F195-C220 VanDerWaalsContact CE2-SG 3.52Å; F195-K276 HydrophobicContact CD2-CB 4.34Å; F195-K276 HydrophobicContact CD2-CD 3.92Å; F195-K276 HydrophobicContact CE2-CB 3.7Å; F195-K276 HydrophobicContact CE2-CD 4.03Å; F195-K276 HydrophobicContact CE2-CG 4.35Å; F195-K276 HydrophobicContact CZ-CB 4.29Å; F195-F280 HydrophobicContact CE1-CB 3.98Å; F195-F280 HydrophobicContact CE1-CD1 4.26Å; F195-F280 AromaticContact CE1-CD2 3.77Å; F195-F280 HydrophobicContact CE1-CD2 3.77Å; F195-F280 HydrophobicContact CE1-CE2 4.33Å; F195-F280 AromaticContact CE1-CG 3.74Å; F195-F280 HydrophobicContact CE1-CG 3.74Å; F195-F280 HydrophobicContact CZ-CB 3.93Å; F195-F280 HydrophobicContact CZ-CD1 4.34Å; F195-F280 HydrophobicContact CZ-CD2 4.49Å; F195-F280 HydrophobicContact CZ-CG 4.01Å
196	R	94.6	Very high	91.4	Very high	118 Å²	118	52 Å²	52	45%	0.445	26%	0.257	S	S	.	.	H	α-helix	trans	-65.4	-43.7	172.1	-166.4	174.9	73.2	-161.1	-0.4	111.6	F162 E192 N193 A194 K199 K200	F162-R196 HydrophobicContact CE1-CG 4.46Å; F162-R196 HydrophobicContact CZ-CB 4.49Å; F162-R196 HydrophobicContact CZ-CG 3.92Å; E192-R196 PolarHBondContact O-N 3.48Å; E192-R196 VanDerWaalsContact O-N 3.1Å; N193-R196 WeakPolarHBondContact O-CB 3.31Å; N193-R196 PolarHBondContact O-N 2.88Å; N193-R196 PolarHBondContact OD1-NH1 2.92Å; N193-R196 PolarHBondContact OD1-NH2 3.36Å; A194-R196 VanDerWaalsContact C-N 3.27Å; A194-R196 PolarHBondContact O-N 3.4Å; R196-K199 PolarHBondContact O-N 3.37Å; R196-K200 PolarHBondContact O-N 3.15Å
197	V	93.9	Very high	91.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-45.8	174.4	174.5	0	0	0	0	110.5	L158 F161 F162 A178 V181 L182 L185 N193 A194 K199 K200 M201	L158-V197 HydrophobicContact CD2-CG2 3.95Å; F161-V197 HydrophobicContact CE1-CG1 4.2Å; F161-V197 HydrophobicContact CZ-CG1 4.23Å; F162-V197 HydrophobicContact CE2-CG2 3.76Å; F162-V197 HydrophobicContact CZ-CG2 3.97Å; A178-V197 HydrophobicContact CB-CG1 4.17Å; V181-V197 HydrophobicContact CG1-CG2 3.8Å; L182-V197 HydrophobicContact CD2-CB 4.19Å; L182-V197 HydrophobicContact CD2-CG1 4.25Å; L182-V197 HydrophobicContact CG-CG1 4.18Å; L185-V197 HydrophobicContact CD1-CG2 4.09Å; N193-V197 WeakPolarHBondContact O-CG2 3.47Å; N193-V197 PolarHBondContact O-N 3.31Å; A194-V197 PolarHBondContact O-N 2.91Å; V197-K199 PolarHBondContact O-N 2.69Å; V197-K200 CarbonylContact O-C 3.58Å; V197-K200 WeakPolarHBondContact O-CA 3.35Å; V197-K200 WeakPolarHBondContact O-CB 3.44Å; V197-K200 PolarHBondContact O-N 3.22Å; V197-K200 VanDerWaalsContact O-N 3.08Å; V197-M201 HydrophobicContact CG1-CG 4.49Å; V197-M201 HydrophobicContact CG1-SD 4.49Å; V197-M201 WeakPolarHBondContact O-CG 3.28Å; V197-M201 PolarHBondContact O-N 2.83Å
198	Y	94.3	Very high	91.3	Very high	19 Å²	19	51.8 Å²	51.8	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-46	176.4	172.7	-108.4	0	0	0	112.9	A194 F195 K200 M201 T202 A208 T212 Y213 L216 F280	A194-Y198 PolarHBondContact O-N 3.22Å; F195-Y198 HydrophobicContact CD1-CD1 4.43Å; F195-Y198 PolarHBondContact O-N 3.41Å; Y198-K200 PolarHBondContact O-N 2.95Å; Y198-M201 WeakPolarHBondContact O-CB 3.4Å; Y198-M201 PolarHBondContact O-N 3.47Å; Y198-T202 HydrophobicContact CE1-CG2 4.36Å; Y198-T202 HydrophobicContact CE2-CG2 4.09Å; Y198-T202 PolarHBondContact O-N 3Å; Y198-T202 PolarHBondContact O-OG1 3.4Å; Y198-A208 HydrophobicContact CE2-CB 3.71Å; Y198-T212 HydrophobicContact CD2-CG2 3.94Å; Y198-T212 HydrophobicContact CE2-CG2 4.36Å; Y198-Y213 HydrophobicContact CE2-CE1 4.03Å; Y198-L216 HydrophobicContact CD1-CD1 4.17Å; Y198-L216 HydrophobicContact CD2-CD1 3.68Å; Y198-L216 HydrophobicContact CE2-CD1 4.19Å; Y198-L216 HydrophobicContact CG-CD1 3.66Å; Y198-F280 AromaticContact CE1-CE2 3.95Å; Y198-F280 HydrophobicContact CE1-CE2 3.95Å
199	K	93.8	Very high	91.4	Very high	129 Å²	129	50.5 Å²	50.5	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-57.2	-42.8	174.3	-171	-172.9	178	-166.4	0	110.2	F195 R196 V197 T202 E203	F195-K199 WeakPolarHBondContact O-CB 3.26Å; F195-K199 PolarHBondContact O-N 2.82Å; R196-K199 PolarHBondContact O-N 3.37Å; V197-K199 PolarHBondContact O-N 2.69Å; K199-T202 PolarHBondContact O-N 3.42Å; K199-T202 PolarHBondContact O-OG1 3.04Å; K199-E203 VanDerWaalsContact CE-OE1 3.24Å; K199-E203 WeakPolarHBondContact CE-OE1 3.32Å; K199-E203 IonicContact NZ-OE1 3.23Å; K199-E203 WeakPolarHBondContact O-CG 3.46Å; K199-E203 PolarHBondContact O-N 3.01Å
200	K	92	Very high	91.4	Very high	58 Å²	58	52.5 Å²	52.5	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-39.7	178.2	-165.6	59.4	178.8	176.4	0	113	F162 L166 R196 V197 Y198 T202 E203 L204	F162-K200 HydrophobicContact CD1-CG 4.5Å; F162-K200 HydrophobicContact CE1-CB 3.84Å; F162-K200 HydrophobicContact CE1-CD 4.45Å; F162-K200 HydrophobicContact CE1-CG 3.83Å; F162-K200 HydrophobicContact CZ-CB 4.27Å; L166-K200 HydrophobicContact CD1-CD 4.44Å; L166-K200 HydrophobicContact CD1-CG 3.85Å; R196-K200 PolarHBondContact O-N 3.15Å; V197-K200 CarbonylContact O-C 3.58Å; V197-K200 WeakPolarHBondContact O-CA 3.35Å; V197-K200 WeakPolarHBondContact O-CB 3.44Å; V197-K200 PolarHBondContact O-N 3.22Å; V197-K200 VanDerWaalsContact O-N 3.08Å; Y198-K200 PolarHBondContact O-N 2.95Å; K200-T202 VanDerWaalsContact C-N 3.3Å; K200-T202 PolarHBondContact O-N 3.19Å; K200-E203 HydrophobicContact CD-CB 4.47Å; K200-E203 VanDerWaalsContact CD-OE2 3.28Å; K200-E203 WeakPolarHBondContact CD-OE2 3.38Å; K200-E203 IonicContact NZ-OE2 2.6Å; K200-E203 PolarHBondContact NZ-OE2 2.76Å; K200-E203 VanDerWaalsContact NZ-OE2 3.08Å; K200-E203 PolarHBondContact O-N 3.02Å; K200-L204 HydrophobicContact CD-CD1 4.5Å; K200-L204 HydrophobicContact CD-CG 4.44Å; K200-L204 HydrophobicContact CG-CD1 3.97Å; K200-L204 HydrophobicContact CG-CG 4.37Å; K200-L204 WeakPolarHBondContact O-CB 3.32Å; K200-L204 VanDerWaalsContact O-CG 3.23Å; K200-L204 WeakPolarHBondContact O-CG 3.34Å; K200-L204 PolarHBondContact O-N 3.35Å
201	M	92.8	Very high	91.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-55.5	-47.5	172.3	-68.8	172.3	72	0	0	110.8	A178 L182 V197 Y198 E203 L204 G205 I206 T212	A178-M201 HydrophobicContact CB-CE 3.81Å; A178-M201 HydrophobicContact CB-CG 3.53Å; A178-M201 HydrophobicContact CB-SD 3.37Å; A178-M201 WeakPolarHBondContact CB-SD 3.39Å; L182-M201 HydrophobicContact CD1-SD 4.13Å; V197-M201 HydrophobicContact CG1-CG 4.49Å; V197-M201 HydrophobicContact CG1-SD 4.49Å; V197-M201 WeakPolarHBondContact O-CG 3.28Å; V197-M201 PolarHBondContact O-N 2.83Å; Y198-M201 WeakPolarHBondContact O-CB 3.4Å; Y198-M201 PolarHBondContact O-N 3.47Å; M201-E203 PolarHBondContact O-N 3.47Å; M201-L204 PolarHBondContact O-N 3.42Å; M201-G205 PolarHBondContact O-N 3.2Å; M201-I206 HydrophobicContact CB-CB 4.2Å; M201-I206 HydrophobicContact CE-CG2 3.98Å; M201-I206 PolarHBondContact O-N 3Å; M201-T212 HydrophobicContact CE-CG2 4Å; M201-T212 HydrophobicContact SD-CG2 4.11Å
202	T	89.9	Confident	91.3	Very high	69 Å²	69	52 Å²	52	42%	0.423	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-35.5	179.2	59.6	0	0	0	0	113.2	Y198 K199 K200 L204 G205	Y198-T202 HydrophobicContact CE1-CG2 4.36Å; Y198-T202 HydrophobicContact CE2-CG2 4.09Å; Y198-T202 PolarHBondContact O-N 3Å; Y198-T202 PolarHBondContact O-OG1 3.4Å; K199-T202 PolarHBondContact O-N 3.42Å; K199-T202 PolarHBondContact O-OG1 3.04Å; K200-T202 VanDerWaalsContact C-N 3.3Å; K200-T202 PolarHBondContact O-N 3.19Å; T202-L204 VanDerWaalsContact C-N 3.31Å; T202-G205 PolarHBondContact O-N 3.04Å
203	E	91	Very high	91.3	Very high	108 Å²	108	46.1 Å²	46.1	51%	0.505	24%	0.244	S	C	.	.	H	α-helix	trans	-67	-32.3	174.8	-74.3	171.9	-168.3	0	0	112.6	K199 K200 M201 G205	K199-E203 VanDerWaalsContact CE-OE1 3.24Å; K199-E203 WeakPolarHBondContact CE-OE1 3.32Å; K199-E203 IonicContact NZ-OE1 3.23Å; K199-E203 WeakPolarHBondContact O-CG 3.46Å; K199-E203 PolarHBondContact O-N 3.01Å; K200-E203 HydrophobicContact CD-CB 4.47Å; K200-E203 VanDerWaalsContact CD-OE2 3.28Å; K200-E203 WeakPolarHBondContact CD-OE2 3.38Å; K200-E203 IonicContact NZ-OE2 2.6Å; K200-E203 PolarHBondContact NZ-OE2 2.76Å; K200-E203 VanDerWaalsContact NZ-OE2 3.08Å; K200-E203 PolarHBondContact O-N 3.02Å; M201-E203 PolarHBondContact O-N 3.47Å; E203-G205 VanDerWaalsContact C-N 3.28Å
204	L	88.9	Confident	91.2	Very high	37 Å²	37	46 Å²	46	19%	0.194	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.8	179.3	-66.3	172.4	0	0	0	113.1	L129 L166 L172 P173 K200 M201 T202 I206	L129-L204 HydrophobicContact CD1-CD2 4.22Å; L166-L204 HydrophobicContact CD1-CD1 4.26Å; L166-L204 HydrophobicContact CD2-CD1 3.75Å; L166-L204 HydrophobicContact CD2-CD2 4.3Å; L172-L204 HydrophobicContact CD1-CB 4.18Å; L172-L204 HydrophobicContact CD1-CD1 4.44Å; L172-L204 HydrophobicContact CD1-CD2 3.95Å; L172-L204 HydrophobicContact CD1-CG 4.42Å; P173-L204 HydrophobicContact CG-CD1 3.6Å; K200-L204 HydrophobicContact CD-CD1 4.5Å; K200-L204 HydrophobicContact CD-CG 4.44Å; K200-L204 HydrophobicContact CG-CD1 3.97Å; K200-L204 HydrophobicContact CG-CG 4.37Å; K200-L204 WeakPolarHBondContact O-CB 3.32Å; K200-L204 VanDerWaalsContact O-CG 3.23Å; K200-L204 WeakPolarHBondContact O-CG 3.34Å; K200-L204 PolarHBondContact O-N 3.35Å; M201-L204 PolarHBondContact O-N 3.42Å; T202-L204 VanDerWaalsContact C-N 3.31Å; L204-I206 VanDerWaalsContact C-N 3.3Å; L204-I206 HydrophobicContact CB-CD1 4.15Å; L204-I206 HydrophobicContact CB-CG1 4.14Å; L204-I206 HydrophobicContact CD1-CD1 4.3Å
205	G	87	Confident	91.2	Very high	57 Å²	57	47.3 Å²	47.3	59%	0.588	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	15	-177	0	0	0	0	0	114.3	M201 T202 E203 N207	M201-G205 PolarHBondContact O-N 3.2Å; T202-G205 PolarHBondContact O-N 3.04Å; E203-G205 VanDerWaalsContact C-N 3.28Å; G205-N207 PolarHBondContact O-N 3.46Å
206	I	89.2	Confident	91.2	Very high	22 Å²	22	45.4 Å²	45.4	11%	0.113	24%	0.242	C	C	.	.			trans	-78.6	114.4	176.3	-55.4	168.2	0	0	0	108.2	P173 R175 M201 L204 A208	P173-I206 HydrophobicContact CB-CD1 4.49Å; P173-I206 HydrophobicContact CG-CD1 4.02Å; P173-I206 WeakPolarHBondContact O-CD1 3.36Å; R175-I206 HydrophobicContact CB-CG2 4.04Å; M201-I206 HydrophobicContact CB-CB 4.2Å; M201-I206 HydrophobicContact CE-CG2 3.98Å; M201-I206 PolarHBondContact O-N 3Å; L204-I206 VanDerWaalsContact C-N 3.3Å; L204-I206 HydrophobicContact CB-CD1 4.15Å; L204-I206 HydrophobicContact CB-CG1 4.14Å; L204-I206 HydrophobicContact CD1-CD1 4.3Å; I206-A208 PolarHBondContact O-N 2.88Å
207	N	86.9	Confident	91.2	Very high	129 Å²	129	39.8 Å²	39.8	69%	0.69	22%	0.221	S	C	*	.			trans	-63.6	128	-179.2	-69.8	-29.1	0	0	0	111.1	G205	G205-N207 PolarHBondContact O-N 3.46Å
208	A	89.3	Confident	91.2	Very high	27 Å²	27	44.5 Å²	44.5	22%	0.223	24%	0.239	C	C	.	.			trans	-80.6	131.9	175.7	0	0	0	0	0	110.5	Y198 I206 T212 Y213	Y198-A208 HydrophobicContact CE2-CB 3.71Å; I206-A208 PolarHBondContact O-N 2.88Å; A208-T212 HydrophobicContact CB-CG2 4.19Å; A208-Y213 HydrophobicContact CB-CE1 3.75Å
209	T	89.2	Confident	91.1	Very high	40 Å²	40	43.6 Å²	43.6	25%	0.245	24%	0.235	C	C	.	.			trans	-105.5	172.4	176.7	58.4	0	0	0	0	112.2	A211 T212 Y213	T209-A211 PolarHBondContact O-N 3.06Å; T209-T212 PolarHBondContact N-OG1 3.4Å; T209-T212 VanDerWaalsContact N-OG1 3.12Å; T209-T212 WeakPolarHBondContact O-CA 3.38Å; T209-T212 WeakPolarHBondContact O-CB 3.46Å; T209-T212 PolarHBondContact O-N 3.37Å; T209-T212 PolarHBondContact O-OG1 3.23Å; T209-T212 PolarHBondContact OG1-OG1 3.33Å; T209-Y213 PolarHBondContact O-N 3.48Å
210	Q	87.8	Confident	91.1	Very high	48 Å²	48	37.5 Å²	37.5	22%	0.224	21%	0.208	C	C	.	.	H	α-helix	trans	-50.1	-43	172.8	-60.1	-56.3	-38.7	0	0	111.9	T212 Y213 S214 P290 N292 T295	Q210-T212 PolarHBondContact O-N 3.4Å; Q210-Y213 PolarHBondContact O-N 3.5Å; Q210-S214 PolarHBondContact O-N 3.29Å; Q210-S214 PolarHBondContact O-OG 3.25Å; Q210-P290 PolarHBondContact NE2-O 3.16Å; Q210-P290 PolarHBondContact OE1-O 2.63Å; Q210-N292 WeakPolarHBondContact CB-ND2 3.38Å; Q210-N292 HydrophobicContact CG-CB 4.38Å; Q210-T295 PolarHBondContact OE1-OG1 3.31Å
211	A	89.8	Confident	91.1	Very high	27 Å²	27	34.8 Å²	34.8	22%	0.223	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-27.2	177.6	0	0	0	0	0	113.1	T209 R215	T209-A211 PolarHBondContact O-N 3.06Å; A211-R215 WeakPolarHBondContact O-CD 3.34Å; A211-R215 WeakPolarHBondContact O-CG 3.36Å; A211-R215 PolarHBondContact O-N 3.12Å; A211-R215 PolarHBondContact O-NH1 3.35Å
212	T	91.7	Very high	91.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-72.1	-43.3	173.4	-46.3	0	0	0	0	110.6	H179 L182 Y198 M201 A208 T209 Q210 R215 L216	H179-T212 PolarHBondContact NE2-OG1 3.32Å; L182-T212 HydrophobicContact CD1-CG2 3.99Å; Y198-T212 HydrophobicContact CD2-CG2 3.94Å; Y198-T212 HydrophobicContact CE2-CG2 4.36Å; M201-T212 HydrophobicContact CE-CG2 4Å; M201-T212 HydrophobicContact SD-CG2 4.11Å; A208-T212 HydrophobicContact CB-CG2 4.19Å; T209-T212 PolarHBondContact N-OG1 3.4Å; T209-T212 VanDerWaalsContact N-OG1 3.12Å; T209-T212 WeakPolarHBondContact O-CA 3.38Å; T209-T212 WeakPolarHBondContact O-CB 3.46Å; T209-T212 PolarHBondContact O-N 3.37Å; T209-T212 PolarHBondContact O-OG1 3.23Å; T209-T212 PolarHBondContact OG1-OG1 3.33Å; Q210-T212 PolarHBondContact O-N 3.4Å; T212-R215 PolarHBondContact O-N 3.49Å; T212-L216 WeakPolarHBondContact O-CG 3.17Å; T212-L216 PolarHBondContact O-N 2.96Å; T212-L216 VanDerWaalsContact O-N 3.14Å
213	Y	93.4	Very high	91.1	Very high	17 Å²	17	34 Å²	34	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-68	-44.6	-179.6	-55	-31.8	0	0	0	112.2	Y198 A208 T209 Q210 R215 L216 F217 F280 L284 I289	Y198-Y213 HydrophobicContact CE2-CE1 4.03Å; A208-Y213 HydrophobicContact CB-CE1 3.75Å; T209-Y213 PolarHBondContact O-N 3.48Å; Q210-Y213 PolarHBondContact O-N 3.5Å; Y213-R215 VanDerWaalsContact C-N 3.29Å; Y213-R215 PolarHBondContact O-N 3.47Å; Y213-L216 PolarHBondContact O-N 2.87Å; Y213-F217 WeakPolarHBondContact O-CD2 3.43Å; Y213-F217 PolarHBondContact O-N 2.93Å; Y213-F280 HydrophobicContact CD1-CE1 4.15Å; Y213-F280 AromaticContact CD1-CZ 3.5Å; Y213-F280 HydrophobicContact CD1-CZ 3.5Å; Y213-F280 VanDerWaalsContact CD1-CZ 3.5Å; Y213-F280 AromaticContact CE1-CZ 3.98Å; Y213-F280 HydrophobicContact CE1-CZ 3.98Å; Y213-F280 HydrophobicContact CG-CZ 4.25Å; Y213-L284 HydrophobicContact CD1-CD2 4.22Å; Y213-L284 HydrophobicContact CD2-CD2 4.15Å; Y213-L284 HydrophobicContact CE1-CD2 3.94Å; Y213-L284 HydrophobicContact CE2-CD2 3.95Å; Y213-L284 HydrophobicContact CG-CD1 4.37Å; Y213-L284 HydrophobicContact CG-CD2 4.27Å; Y213-I289 HydrophobicContact CD2-CG2 4.5Å; Y213-I289 HydrophobicContact CE2-CG2 3.66Å
214	S	92.1	Very high	91.1	Very high	21 Å²	21	28.8 Å²	28.8	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-42.1	174.2	-57	0	0	0	0	112.3	Q210 F217 R218 T295	Q210-S214 PolarHBondContact O-N 3.29Å; Q210-S214 PolarHBondContact O-OG 3.25Å; S214-F217 PolarHBondContact O-N 3.41Å; S214-R218 VanDerWaalsContact O-CB 3.32Å; S214-R218 WeakPolarHBondContact O-CB 3.37Å; S214-R218 PolarHBondContact O-N 3.24Å; S214-T295 WeakPolarHBondContact OG-CA 3.38Å; S214-T295 PolarHBondContact OG-N 3.34Å; S214-T295 PolarHBondContact OG-OG1 3.27Å; S214-T295 VanDerWaalsContact OG-OG1 3.06Å
215	R	93.9	Very high	91	Very high	27 Å²	27	27.5 Å²	27.5	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-39.7	177.7	-75.2	172.1	168.1	86.6	0.2	112.6	L182 D183 A211 T212 Y213 R218 A219	L182-R215 HydrophobicContact CB-CB 4.12Å; D183-R215 WeakPolarHBondContact OD1-CD 3.11Å; D183-R215 WeakPolarHBondContact OD1-CG 3.27Å; D183-R215 IonicContact OD1-CZ 2.84Å; D183-R215 IonicContact OD1-NE 2.83Å; D183-R215 PolarHBondContact OD1-NE 2.9Å; D183-R215 IonicContact OD1-NH2 2.67Å; D183-R215 IonicContact OD2-CZ 2.69Å; D183-R215 IonicContact OD2-NE 3.29Å; D183-R215 PolarHBondContact OD2-NE 3.09Å; D183-R215 IonicContact OD2-NH2 2.66Å; D183-R215 PolarHBondContact OD2-NH2 3.32Å; A211-R215 WeakPolarHBondContact O-CD 3.34Å; A211-R215 WeakPolarHBondContact O-CG 3.36Å; A211-R215 PolarHBondContact O-N 3.12Å; A211-R215 PolarHBondContact O-NH1 3.35Å; T212-R215 PolarHBondContact O-N 3.49Å; Y213-R215 VanDerWaalsContact C-N 3.29Å; Y213-R215 PolarHBondContact O-N 3.47Å; R215-R218 PolarHBondContact O-N 3.23Å; R215-A219 WeakPolarHBondContact O-CB 3.41Å; R215-A219 PolarHBondContact O-N 2.86Å
216	L	94.5	Very high	90.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-45.6	175.8	-71.8	168.5	0	0	0	112	L182 A194 F195 Y198 T212 Y213 R218 A219 C220 F280	L182-L216 HydrophobicContact CD2-CD2 3.96Å; A194-L216 HydrophobicContact CB-CD2 4.09Å; F195-L216 HydrophobicContact CD1-CD2 4.16Å; F195-L216 HydrophobicContact CE1-CD1 4.31Å; F195-L216 HydrophobicContact CE1-CD2 4.26Å; F195-L216 HydrophobicContact CG-CD2 4.44Å; Y198-L216 HydrophobicContact CD1-CD1 4.17Å; Y198-L216 HydrophobicContact CD2-CD1 3.68Å; Y198-L216 HydrophobicContact CE2-CD1 4.19Å; Y198-L216 HydrophobicContact CG-CD1 3.66Å; T212-L216 WeakPolarHBondContact O-CG 3.17Å; T212-L216 PolarHBondContact O-N 2.96Å; T212-L216 VanDerWaalsContact O-N 3.14Å; Y213-L216 PolarHBondContact O-N 2.87Å; L216-R218 VanDerWaalsContact C-N 3.33Å; L216-R218 PolarHBondContact O-N 3.32Å; L216-A219 PolarHBondContact O-N 3.49Å; L216-C220 PolarHBondContact O-N 3.07Å; L216-C220 PolarHBondContact O-SG 3.06Å; L216-F280 HydrophobicContact CB-CE1 4.21Å; L216-F280 HydrophobicContact CD1-CE1 3.99Å; L216-F280 HydrophobicContact CD1-CE2 4.2Å; L216-F280 HydrophobicContact CD1-CZ 3.66Å
217	F	94.6	Very high	90.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-39.5	174.9	-73.5	-54.9	0	0	0	111.7	Y213 S214 A219 C220 A221 V277 F280 W281 L284 M291 T295 A298 L299	Y213-F217 WeakPolarHBondContact O-CD2 3.43Å; Y213-F217 PolarHBondContact O-N 2.93Å; S214-F217 PolarHBondContact O-N 3.41Å; F217-A219 PolarHBondContact O-N 2.79Å; F217-C220 WeakPolarHBondContact O-CB 3.48Å; F217-C220 PolarHBondContact O-N 3.06Å; F217-A221 WeakPolarHBondContact O-CB 3.44Å; F217-A221 PolarHBondContact O-N 2.9Å; F217-V277 HydrophobicContact CD1-CG1 4.17Å; F217-V277 HydrophobicContact CE1-CG1 4.03Å; F217-F280 HydrophobicContact CD1-CD1 4.3Å; F217-F280 AromaticContact CE1-CD1 3.65Å; F217-F280 HydrophobicContact CE1-CD1 3.65Å; F217-F280 HydrophobicContact CE1-CE1 4.41Å; F217-F280 HydrophobicContact CE2-CD1 4.05Å; F217-F280 HydrophobicContact CE2-CE1 4.02Å; F217-F280 AromaticContact CZ-CD1 3.52Å; F217-F280 HydrophobicContact CZ-CD1 3.52Å; F217-F280 AromaticContact CZ-CE1 3.95Å; F217-F280 HydrophobicContact CZ-CE1 3.95Å; F217-W281 HydrophobicContact CE1-CB 4.46Å; F217-W281 HydrophobicContact CZ-CB 4.31Å; F217-L284 HydrophobicContact CE2-CD1 3.86Å; F217-L284 HydrophobicContact CZ-CD1 3.96Å; F217-M291 HydrophobicContact CE2-SD 4.43Å; F217-T295 HydrophobicContact CD2-CG2 3.95Å; F217-T295 HydrophobicContact CE2-CG2 3.88Å; F217-A298 HydrophobicContact CB-CB 3.8Å; F217-L299 HydrophobicContact CD1-CB 4.36Å; F217-L299 HydrophobicContact CD1-CD1 4Å; F217-L299 HydrophobicContact CD2-CB 4.15Å; F217-L299 HydrophobicContact CE1-CB 4.43Å; F217-L299 HydrophobicContact CE1-CD1 3.6Å; F217-L299 HydrophobicContact CE2-CB 4.21Å; F217-L299 HydrophobicContact CG-CB 4.23Å; F217-L299 HydrophobicContact CZ-CB 4.35Å; F217-L299 HydrophobicContact CZ-CD1 3.94Å
218	R	93.1	Very high	90.6	Very high	99 Å²	99	21.3 Å²	21.3	37%	0.374	11%	0.11	S	C	.	.	H	α-helix	trans	-61	-42.4	173.7	-171.1	-179.8	178.3	92.3	2.2	112.2	A186 S214 R215 L216 C220 A221 E222	A186-R218 HydrophobicContact CB-CB 4.32Å; A186-R218 HydrophobicContact CB-CG 4.17Å; S214-R218 VanDerWaalsContact O-CB 3.32Å; S214-R218 WeakPolarHBondContact O-CB 3.37Å; S214-R218 PolarHBondContact O-N 3.24Å; R215-R218 PolarHBondContact O-N 3.23Å; L216-R218 VanDerWaalsContact C-N 3.33Å; L216-R218 PolarHBondContact O-N 3.32Å; R218-C220 VanDerWaalsContact C-N 3.32Å; R218-C220 PolarHBondContact O-N 3.42Å; R218-A221 WeakPolarHBondContact O-CB 3.43Å; R218-A221 PolarHBondContact O-N 3.43Å; R218-E222 PolarHBondContact O-N 3.26Å
219	A	93.1	Very high	90	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-38.2	175.3	0	0	0	0	0	112.3	A186 A194 R215 L216 F217 E222 D223	A186-A219 HydrophobicContact CB-CB 3.95Å; A194-A219 HydrophobicContact CB-CB 3.89Å; R215-A219 WeakPolarHBondContact O-CB 3.41Å; R215-A219 PolarHBondContact O-N 2.86Å; L216-A219 PolarHBondContact O-N 3.49Å; F217-A219 PolarHBondContact O-N 2.79Å; A219-E222 PolarHBondContact O-N 3.01Å; A219-D223 WeakPolarHBondContact O-CB 3.43Å; A219-D223 PolarHBondContact O-N 3.35Å
220	C	93.8	Very high	89.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-45.1	172.4	-60.9	0	0	0	0	111.9	F195 L216 F217 R218 E222 D223 I224 V277	F195-C220 VanDerWaalsContact CE2-SG 3.52Å; L216-C220 PolarHBondContact O-N 3.07Å; L216-C220 PolarHBondContact O-SG 3.06Å; F217-C220 WeakPolarHBondContact O-CB 3.48Å; F217-C220 PolarHBondContact O-N 3.06Å; R218-C220 VanDerWaalsContact C-N 3.32Å; R218-C220 PolarHBondContact O-N 3.42Å; C220-E222 PolarHBondContact O-N 3.31Å; C220-D223 PolarHBondContact O-N 3.33Å; C220-I224 WeakPolarHBondContact O-CD1 3.35Å; C220-I224 WeakPolarHBondContact O-CG1 2.98Å; C220-I224 PolarHBondContact O-N 3.4Å; C220-V277 HydrophobicContact CB-CG2 3.38Å
221	A	92	Very high	88.7	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-56.1	-41.7	178.1	0	0	0	0	0	110.7	F217 R218 A225 L301 A302 K305	F217-A221 WeakPolarHBondContact O-CB 3.44Å; F217-A221 PolarHBondContact O-N 2.9Å; R218-A221 WeakPolarHBondContact O-CB 3.43Å; R218-A221 PolarHBondContact O-N 3.43Å; A221-A225 PolarHBondContact O-N 3.17Å; A221-L301 HydrophobicContact CB-CD2 4.26Å; A221-L301 HydrophobicContact CB-CG 4.27Å; A221-A302 HydrophobicContact CB-CB 3.86Å; A221-K305 HydrophobicContact CB-CD 4.07Å; A221-K305 WeakPolarHBondContact O-CD 3.45Å
222	E	91.1	Very high	87.8	Confident	29 Å²	29	31.1 Å²	31.1	14%	0.136	13%	0.132	C	C	.	.	H	α-helix	trans	-78.1	-34.1	179.8	-156.3	52.4	-160.5	0	0	113.6	A186 R218 A219 C220 I224 A225 T226 R229 K305	A186-E222 VanDerWaalsContact O-CB 3.3Å; A186-E222 WeakPolarHBondContact O-CB 3.46Å; R218-E222 PolarHBondContact O-N 3.26Å; A219-E222 PolarHBondContact O-N 3.01Å; C220-E222 PolarHBondContact O-N 3.31Å; E222-I224 VanDerWaalsContact C-N 3.33Å; E222-I224 PolarHBondContact O-N 3.35Å; E222-A225 CarbonylContact O-C 3.6Å; E222-A225 WeakPolarHBondContact O-CB 3.37Å; E222-A225 PolarHBondContact O-N 3.13Å; E222-A225 VanDerWaalsContact O-N 3.15Å; E222-T226 VanDerWaalsContact O-CG2 3.26Å; E222-T226 WeakPolarHBondContact O-CG2 3.28Å; E222-T226 PolarHBondContact O-N 2.9Å; E222-R229 IonicContact OE1-CZ 2.82Å; E222-R229 IonicContact OE1-NH2 3.14Å; E222-R229 PolarHBondContact OE1-NH2 2.92Å; E222-K305 IonicContact OE2-NZ 2.62Å; E222-K305 PolarHBondContact OE2-NZ 3.17Å
223	D	91.1	Very high	86.6	Confident	24 Å²	24	33.2 Å²	33.2	13%	0.128	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-46.8	168.7	-165.2	-11.8	0	0	0	111.1	G189 S191 A219 C220 A225 T226 W227 A273	G189-D223 WeakPolarHBondContact O-CA 3.34Å; G189-D223 WeakPolarHBondContact O-CB 3.49Å; S191-D223 VanDerWaalsContact CB-OD2 3.25Å; S191-D223 WeakPolarHBondContact CB-OD2 3.01Å; S191-D223 PolarHBondContact OG-OD2 3.32Å; A219-D223 WeakPolarHBondContact O-CB 3.43Å; A219-D223 PolarHBondContact O-N 3.35Å; C220-D223 PolarHBondContact O-N 3.33Å; D223-A225 VanDerWaalsContact C-N 3.32Å; D223-A225 PolarHBondContact O-N 3.39Å; D223-T226 PolarHBondContact O-N 3.38Å; D223-T226 VanDerWaalsContact O-N 3.09Å; D223-T226 PolarHBondContact O-OG1 2.9Å; D223-W227 PolarHBondContact O-N 3.48Å; D223-A273 HydrophobicContact CB-CB 3.82Å
224	I	90.5	Very high	85.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-42.2	175.2	-63.6	160.3	0	0	0	110.9	C220 E222 W227 F228 A273 V277 A302 K305 A306	C220-I224 WeakPolarHBondContact O-CD1 3.35Å; C220-I224 WeakPolarHBondContact O-CG1 2.98Å; C220-I224 PolarHBondContact O-N 3.4Å; E222-I224 VanDerWaalsContact C-N 3.33Å; E222-I224 PolarHBondContact O-N 3.35Å; I224-W227 PolarHBondContact O-N 3.39Å; I224-F228 WeakPolarHBondContact O-CB 3.48Å; I224-F228 PolarHBondContact O-N 2.62Å; I224-A273 HydrophobicContact CD1-CB 4.37Å; I224-A273 HydrophobicContact CG1-CB 3.66Å; I224-V277 HydrophobicContact CD1-CG2 4.38Å; I224-A302 HydrophobicContact CD1-CB 4.45Å; I224-A302 WeakPolarHBondContact CD1-O 3.2Å; I224-K305 HydrophobicContact CB-CB 4.38Å; I224-K305 VanDerWaalsContact CG2-C 3.49Å; I224-K305 HydrophobicContact CG2-CB 3.91Å; I224-K305 WeakPolarHBondContact CG2-O 3.47Å; I224-A306 HydrophobicContact CD1-CB 4.25Å; I224-A306 HydrophobicContact CG2-CB 4.12Å
225	A	86.5	Confident	84.1	Confident	10 Å²	10	33.7 Å²	33.7	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-40.4	174.6	0	0	0	0	0	112.4	A221 E222 D223 F228 R229 K305	A221-A225 PolarHBondContact O-N 3.17Å; E222-A225 CarbonylContact O-C 3.6Å; E222-A225 WeakPolarHBondContact O-CB 3.37Å; E222-A225 PolarHBondContact O-N 3.13Å; E222-A225 VanDerWaalsContact O-N 3.15Å; D223-A225 VanDerWaalsContact C-N 3.32Å; D223-A225 PolarHBondContact O-N 3.39Å; A225-F228 PolarHBondContact O-N 2.62Å; A225-R229 WeakPolarHBondContact O-CG 3.34Å; A225-R229 PolarHBondContact O-N 3.2Å; A225-R229 PolarHBondContact O-NE 3.32Å; A225-K305 HydrophobicContact CB-CD 4.12Å
226	T	85.3	Confident	82.7	Confident	17 Å²	17	32.6 Å²	32.6	10%	0.104	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-39.7	175.1	73.8	0	0	0	0	111.8	E222 D223 F228 R229 R230	E222-T226 VanDerWaalsContact O-CG2 3.26Å; E222-T226 WeakPolarHBondContact O-CG2 3.28Å; E222-T226 PolarHBondContact O-N 2.9Å; D223-T226 PolarHBondContact O-N 3.38Å; D223-T226 VanDerWaalsContact O-N 3.09Å; D223-T226 PolarHBondContact O-OG1 2.9Å; T226-F228 VanDerWaalsContact C-N 3.33Å; T226-R229 PolarHBondContact O-N 2.87Å; T226-R230 WeakPolarHBondContact O-CG 3.45Å; T226-R230 PolarHBondContact O-N 2.93Å
227	W	87.2	Confident	81.3	Confident	38 Å²	38	34 Å²	34	14%	0.144	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-45.3	174.9	178.5	92.6	0	0	0	110.7	D223 I224 R230 N231 M264 N268 F269	D223-W227 PolarHBondContact O-N 3.48Å; I224-W227 PolarHBondContact O-N 3.39Å; W227-R230 PolarHBondContact O-N 3.27Å; W227-N231 VanDerWaalsContact CD1-ND2 3.31Å; W227-N231 VanDerWaalsContact CE2-ND2 3.29Å; W227-N231 HydrophobicContact CZ2-CB 4.36Å; W227-N231 PolarHBondContact NE1-ND2 2.85Å; W227-N231 VanDerWaalsContact NE1-ND2 3.15Å; W227-N231 WeakPolarHBondContact O-CB 3.48Å; W227-N231 PolarHBondContact O-N 3Å; W227-N231 PolarHBondContact O-ND2 3.5Å; W227-M264 HydrophobicContact CH2-CE 4.02Å; W227-M264 HydrophobicContact CH2-SD 3.81Å; W227-M264 HydrophobicContact CZ2-CE 4.19Å; W227-M264 HydrophobicContact CZ2-SD 4.28Å; W227-N268 WeakPolarHBondContact CZ2-O 3.23Å; W227-F269 HydrophobicContact CH2-CD2 4.15Å; W227-F269 HydrophobicContact CH2-CG 4.39Å; W227-F269 HydrophobicContact CZ3-CD2 4.31Å; W227-F269 HydrophobicContact CZ3-CE2 4.49Å; W227-F269 HydrophobicContact CZ3-CG 4.43Å
228	F	83.2	Confident	79.8	Confident	22 Å²	22	35.5 Å²	35.5	10%	0.096	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-49.1	177.3	-176.5	-95.8	0	0	0	111	I224 A225 T226 R230 N231 R232 I235 F269 M359	I224-F228 WeakPolarHBondContact O-CB 3.48Å; I224-F228 PolarHBondContact O-N 2.62Å; A225-F228 PolarHBondContact O-N 2.62Å; T226-F228 VanDerWaalsContact C-N 3.33Å; F228-R230 VanDerWaalsContact C-N 3.31Å; F228-R230 PolarHBondContact O-N 3.47Å; F228-N231 PolarHBondContact O-N 3.18Å; F228-R232 HydrophobicContact CE1-CG 4.45Å; F228-R232 WeakPolarHBondContact O-CB 3.39Å; F228-R232 PolarHBondContact O-N 2.83Å; F228-I235 HydrophobicContact CD2-CD1 4.17Å; F228-I235 HydrophobicContact CE2-CD1 3.72Å; F228-I235 HydrophobicContact CZ-CD1 4.42Å; F228-F269 HydrophobicContact CD2-CZ 4.38Å; F228-F269 HydrophobicContact CE2-CZ 4.29Å; F228-M359 HydrophobicContact CE2-SD 3.61Å; F228-M359 HydrophobicContact CZ-CE 3.81Å; F228-M359 HydrophobicContact CZ-SD 3.42Å; F228-M359 WeakPolarHBondContact CZ-SD 3.37Å
229	R	75.9	Confident	78.2	Confident	67 Å²	67	31.5 Å²	31.5	25%	0.253	15%	0.147	S	C	.	.	H	α-helix	trans	-56.4	-41.5	176.9	-75.5	-177.2	-76.4	-168.4	-7.6	112.7	E222 A225 T226	E222-R229 IonicContact OE1-CZ 2.82Å; E222-R229 IonicContact OE1-NH2 3.14Å; E222-R229 PolarHBondContact OE1-NH2 2.92Å; A225-R229 WeakPolarHBondContact O-CG 3.34Å; A225-R229 PolarHBondContact O-N 3.2Å; A225-R229 PolarHBondContact O-NE 3.32Å; T226-R229 PolarHBondContact O-N 2.87Å
230	R	75.8	Confident	76.6	Confident	188 Å²	188	35.5 Å²	35.5	71%	0.709	17%	0.168	S	C	*	.	H	α-helix	trans	-70.9	-35.8	179.2	-72.9	174.9	-179.6	154.3	2.7	113.7	T226 W227 F228	T226-R230 WeakPolarHBondContact O-CG 3.45Å; T226-R230 PolarHBondContact O-N 2.93Å; W227-R230 PolarHBondContact O-N 3.27Å; F228-R230 VanDerWaalsContact C-N 3.31Å; F228-R230 PolarHBondContact O-N 3.47Å
231	N	75.1	Confident	74.5	Confident	39 Å²	39	41.1 Å²	41.1	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-101.1	-2.4	-173.9	-64.9	-70.4	0	0	0	114	W227 F228 T233 L234 I235 M264	W227-N231 VanDerWaalsContact CD1-ND2 3.31Å; W227-N231 VanDerWaalsContact CE2-ND2 3.29Å; W227-N231 HydrophobicContact CZ2-CB 4.36Å; W227-N231 PolarHBondContact NE1-ND2 2.85Å; W227-N231 VanDerWaalsContact NE1-ND2 3.15Å; W227-N231 WeakPolarHBondContact O-CB 3.48Å; W227-N231 PolarHBondContact O-N 3Å; W227-N231 PolarHBondContact O-ND2 3.5Å; F228-N231 PolarHBondContact O-N 3.18Å; N231-T233 PolarHBondContact O-N 3.35Å; N231-T233 VanDerWaalsContact O-N 3.17Å; N231-L234 WeakPolarHBondContact O-CB 3.37Å; N231-L234 PolarHBondContact O-N 3.46Å; N231-I235 PolarHBondContact O-N 3Å; N231-M264 HydrophobicContact CB-CE 3.59Å
232	R	70.7	Confident	72.5	Confident	55 Å²	55	43.7 Å²	43.7	21%	0.208	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-54.8	-35.7	-177.5	-170.8	177.7	-178.8	-177.3	2.9	113.7	D77 F228 L234 I235	D77-R232 PolarHBondContact O-NH1 2.97Å; D77-R232 PolarHBondContact O-NH2 3.07Å; D77-R232 IonicContact OD2-NH2 2.79Å; F228-R232 HydrophobicContact CE1-CG 4.45Å; F228-R232 WeakPolarHBondContact O-CB 3.39Å; F228-R232 PolarHBondContact O-N 2.83Å; R232-L234 PolarHBondContact O-N 3.04Å; R232-I235 PolarHBondContact O-N 3.26Å
233	T	65.3	Low	70.1	Confident	43 Å²	43	48.3 Å²	48.3	26%	0.264	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-70	-20.2	178.8	56.3	0	0	0	0	113.3	N231	N231-T233 PolarHBondContact O-N 3.35Å; N231-T233 VanDerWaalsContact O-N 3.17Å
234	L	65.1	Low	67.9	Low	37 Å²	37	52.7 Å²	52.7	19%	0.194	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-87.6	-15.7	175.2	-58.8	169.6	0	0	0	112.4	N231 R232 P236 M264	N231-L234 WeakPolarHBondContact O-CB 3.37Å; N231-L234 PolarHBondContact O-N 3.46Å; R232-L234 PolarHBondContact O-N 3.04Å; L234-P236 WeakPolarHBondContact O-CD 2.9Å; L234-M264 HydrophobicContact CB-CE 4.13Å
235	I	68.8	Low	65.8	Low	11 Å²	11	58.7 Å²	58.7	6%	0.056	28%	0.277	C	S	.	.	S	Bend	trans	-71	123	177.6	-59.3	176.5	0	0	0	108.4	F228 N231 R232 M264 F269 M359	F228-I235 HydrophobicContact CD2-CD1 4.17Å; F228-I235 HydrophobicContact CE2-CD1 3.72Å; F228-I235 HydrophobicContact CZ-CD1 4.42Å; N231-I235 PolarHBondContact O-N 3Å; R232-I235 PolarHBondContact O-N 3.26Å; I235-M264 HydrophobicContact CG1-CE 4.23Å; I235-M264 HydrophobicContact CG1-SD 4.34Å; I235-F269 HydrophobicContact CD1-CE2 4.17Å; I235-M359 HydrophobicContact CD1-SD 4.07Å; I235-M359 HydrophobicContact CG2-CB 4.26Å; I235-M359 HydrophobicContact CG2-SD 4.39Å
236	P	64.1	Low	64	Low	5 Å²	5	62.8 Å²	62.8	3%	0.032	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-66.2	144	-178.3	25.9	-32.9	0	0	0	111.1	L234 Q257 L363 C366	L234-P236 WeakPolarHBondContact O-CD 2.9Å; P236-Q257 HydrophobicContact CB-CB 4.2Å; P236-Q257 HydrophobicContact CB-CG 3.92Å; P236-L363 HydrophobicContact CG-CD1 4.22Å; P236-C366 WeakPolarHBondContact CG-SG 3.2Å
237	P	64.7	Low	63	Low	28 Å²	28	63.8 Å²	63.8	18%	0.182	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-68.7	149	176.9	31.3	-36.5	0	0	0	111.2	V239 L256	P237-V239 PolarHBondContact O-N 3.42Å; P237-L256 HydrophobicContact CG-CD2 3.54Å
238	V	62.8	Low	62.2	Low	32 Å²	32	62.4 Å²	62.4	19%	0.194	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-64.7	125.4	171.6	-170.4	0	0	0	0	110.1	M253 N362 K422 D424	V238-M253 VanDerWaalsContact O-CE 3.23Å; V238-M253 WeakPolarHBondContact O-CE 3.4Å; V238-N362 WeakPolarHBondContact CG2-ND2 3.49Å; V238-K422 HydrophobicContact CB-CB 4.34Å; V238-K422 HydrophobicContact CG1-CB 4.34Å; V238-D424 WeakPolarHBondContact CG1-OD1 3.23Å
239	V	60.1	Low	61.4	Low	15 Å²	15	65.8 Å²	65.8	9%	0.091	33%	0.327	C	S	.	.			trans	-109	107.5	175.3	-169.2	0	0	0	0	109	P237 R241 Q250 M253	P237-V239 PolarHBondContact O-N 3.42Å; V239-R241 PolarHBondContact O-N 3.48Å; V239-Q250 HydrophobicContact CG1-CG 4.08Å; V239-M253 HydrophobicContact CG1-CB 4.16Å; V239-M253 HydrophobicContact CG2-CB 3.78Å; V239-M253 HydrophobicContact CG2-CE 4.33Å
240	I	59	Low	61	Low	85 Å²	85	63.6 Å²	63.6	44%	0.436	32%	0.32	S	S	.	.			trans	-73.6	125	172.3	-56.2	173	0	0	0	107.5	T242 K422	I240-T242 HydrophobicContact CG2-CG2 4.35Å; I240-T242 PolarHBondContact O-N 2.92Å; I240-K422 HydrophobicContact CD1-CB 4.47Å
241	R	51.3	Low	60.8	Low	118 Å²	118	59.3 Å²	59.3	45%	0.445	30%	0.304	S	S	.	.			trans	-83.9	103.5	170.7	-69.9	180	178.2	163	-4.7	108	V239	V239-R241 PolarHBondContact O-N 3.48Å
242	T	48.2	Very low	60.9	Low	55 Å²	55	58.2 Å²	58.2	34%	0.337	30%	0.297	S	S	.	.			trans	-95.1	149.9	156.5	55.3	0	0	0	0	108	I240 N244	I240-T242 HydrophobicContact CG2-CG2 4.35Å; I240-T242 PolarHBondContact O-N 2.92Å; T242-N244 PolarHBondContact O-N 2.98Å
243	E	41.9	Very low	60.9	Low	125 Å²	125	58.1 Å²	58.1	58%	0.584	30%	0.3	S	S	*	.	S	Bend	trans	-61.1	-10.3	-175.3	-62.1	-170.8	150.7	0	0	114	H245	E243-H245 PolarHBondContact O-N 3.39Å
244	N	44.9	Very low	61.2	Low	117 Å²	117	59.2 Å²	59.2	63%	0.626	30%	0.304	S	S	*	.			trans	-75.9	61.6	169.1	-69.7	-16.1	0	0	0	111.4	T242 S246 S247 Q250	T242-N244 PolarHBondContact O-N 2.98Å; N244-S246 PolarHBondContact O-N 3.4Å; N244-S247 PolarHBondContact O-N 2.84Å; N244-Q250 PolarHBondContact O-OE1 2.99Å
245	H	45.8	Very low	61.7	Low	125 Å²	125	59.2 Å²	59.2	58%	0.579	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-0	171.7	-71.6	-50.6	0	0	0	114.5	E243	E243-H245 PolarHBondContact O-N 3.39Å
246	S	49.7	Very low	61.8	Low	96 Å²	96	59.2 Å²	59.2	67%	0.671	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.1	-178.8	55.4	0	0	0	0	114.5	N244 L248	N244-S246 PolarHBondContact O-N 3.4Å; S246-L248 PolarHBondContact O-N 2.83Å
247	S	63.8	Low	62.2	Low	38 Å²	38	59.3 Å²	59.3	27%	0.266	31%	0.309	S	S	.	.			trans	-76.2	127.3	-176.4	74.1	0	0	0	0	112.3	N244 L249 Q250 R251	N244-S247 PolarHBondContact O-N 2.84Å; S247-L249 PolarHBondContact O-N 3.03Å; S247-L249 VanDerWaalsContact O-N 3.17Å; S247-Q250 PolarHBondContact O-N 2.86Å; S247-Q250 VanDerWaalsContact O-N 3.13Å; S247-Q250 WeakPolarHBondContact OG-CB 3.23Å; S247-Q250 PolarHBondContact OG-N 3.33Å; S247-R251 PolarHBondContact O-N 2.9Å
248	L	69.2	Low	62.6	Low	9 Å²	9	64 Å²	64	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-24.9	175.2	-81.4	173.3	0	0	0	111.9	S246 R251 K252 L780 L784 T802 G803 F805	S246-L248 PolarHBondContact O-N 2.83Å; L248-R251 PolarHBondContact O-N 3.37Å; L248-K252 PolarHBondContact O-N 3.49Å; L248-L780 HydrophobicContact CD2-CD2 4.06Å; L248-L784 HydrophobicContact CD1-CD1 3.69Å; L248-L784 HydrophobicContact CD1-CD2 3.87Å; L248-L784 HydrophobicContact CD1-CG 4.11Å; L248-T802 WeakPolarHBondContact CD1-O 3.38Å; L248-G803 PolarHBondContact N-O 3.21Å; L248-F805 HydrophobicContact CB-CD2 3.62Å; L248-F805 HydrophobicContact CB-CE2 3.57Å; L248-F805 HydrophobicContact CD1-CD2 4.29Å
249	L	67.1	Low	62.9	Low	94 Å²	94	63.6 Å²	63.6	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-43.8	175.3	-173.5	67.9	0	0	0	111.7	S247 R251 K252 M253 F805	S247-L249 PolarHBondContact O-N 3.03Å; S247-L249 VanDerWaalsContact O-N 3.17Å; L249-R251 VanDerWaalsContact C-N 3.32Å; L249-R251 PolarHBondContact O-N 3.23Å; L249-K252 WeakPolarHBondContact O-CB 3.36Å; L249-K252 PolarHBondContact O-N 3.23Å; L249-M253 WeakPolarHBondContact O-CG 3.26Å; L249-M253 PolarHBondContact O-N 3.04Å; L249-F805 HydrophobicContact CB-CE2 4.49Å; L249-F805 HydrophobicContact CD1-CZ 4.23Å
250	Q	67.2	Low	63.4	Low	21 Å²	21	63 Å²	63	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-38.1	176.9	-166.8	179.7	16.8	0	0	111.1	V239 N244 S247 M253 L254	V239-Q250 HydrophobicContact CG1-CG 4.08Å; N244-Q250 PolarHBondContact O-OE1 2.99Å; S247-Q250 PolarHBondContact O-N 2.86Å; S247-Q250 VanDerWaalsContact O-N 3.13Å; S247-Q250 WeakPolarHBondContact OG-CB 3.23Å; S247-Q250 PolarHBondContact OG-N 3.33Å; Q250-M253 PolarHBondContact O-N 3.12Å; Q250-L254 WeakPolarHBondContact O-CB 3.48Å; Q250-L254 PolarHBondContact O-N 3.25Å
251	R	72.7	Confident	63.6	Low	97 Å²	97	58.9 Å²	58.9	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-42.8	173.2	-65	-177.8	62.7	-158.6	-2.7	111.9	S247 L248 L249 L254 A255 L780 E783	S247-R251 PolarHBondContact O-N 2.9Å; L248-R251 PolarHBondContact O-N 3.37Å; L249-R251 VanDerWaalsContact C-N 3.32Å; L249-R251 PolarHBondContact O-N 3.23Å; R251-L254 PolarHBondContact O-N 3.29Å; R251-A255 WeakPolarHBondContact O-CB 3.43Å; R251-A255 PolarHBondContact O-N 3.34Å; R251-L780 HydrophobicContact CB-CD2 4.37Å; R251-E783 IonicContact CZ-OE1 3Å; R251-E783 IonicContact CZ-OE2 2.96Å; R251-E783 IonicContact NH1-OE1 3.12Å; R251-E783 PolarHBondContact NH1-OE1 3.29Å; R251-E783 IonicContact NH1-OE2 3.38Å; R251-E783 PolarHBondContact NH1-OE2 2.91Å; R251-E783 VanDerWaalsContact NH2-CD 3.27Å; R251-E783 IonicContact NH2-OE1 3.9Å; R251-E783 PolarHBondContact NH2-OE1 2.93Å; R251-E783 VanDerWaalsContact NH2-OE1 3.08Å; R251-E783 IonicContact NH2-OE2 3.91Å; R251-E783 PolarHBondContact NH2-OE2 3.35Å
252	K	76.2	Confident	64.1	Low	17 Å²	17	56.5 Å²	56.5	7%	0.074	30%	0.302	C	S	.	.	H	α-helix	trans	-57	-49.1	172.9	177.3	175.7	-179.3	166	0	110.9	L248 L249 A255 L256 S773 I776 D777 L780 F805	L248-K252 PolarHBondContact O-N 3.49Å; L249-K252 WeakPolarHBondContact O-CB 3.36Å; L249-K252 PolarHBondContact O-N 3.23Å; K252-A255 PolarHBondContact O-N 3.47Å; K252-L256 WeakPolarHBondContact O-CB 3.42Å; K252-L256 PolarHBondContact O-N 3.26Å; K252-S773 WeakPolarHBondContact CE-OG 3.33Å; K252-S773 PolarHBondContact NZ-OG 3.31Å; K252-I776 HydrophobicContact CB-CG2 4.16Å; K252-I776 HydrophobicContact CG-CG2 3.82Å; K252-D777 VanDerWaalsContact CD-OD1 3.28Å; K252-D777 WeakPolarHBondContact CD-OD1 3.45Å; K252-D777 WeakPolarHBondContact CE-OD1 3.4Å; K252-D777 IonicContact NZ-OD1 2.79Å; K252-D777 PolarHBondContact NZ-OD1 3.42Å; K252-D777 IonicContact NZ-OD2 2.69Å; K252-D777 PolarHBondContact NZ-OD2 3.34Å; K252-L780 HydrophobicContact CB-CD1 3.71Å; K252-L780 HydrophobicContact CG-CD1 4.46Å; K252-F805 HydrophobicContact CD-CZ 4.12Å
253	M	70.1	Confident	64.6	Low	52 Å²	52	57.6 Å²	57.6	26%	0.256	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-41.6	-179.4	-69.8	-177.6	71.6	0	0	112.2	V238 V239 L249 Q250 L256 Q257	V238-M253 VanDerWaalsContact O-CE 3.23Å; V238-M253 WeakPolarHBondContact O-CE 3.4Å; V239-M253 HydrophobicContact CG1-CB 4.16Å; V239-M253 HydrophobicContact CG2-CB 3.78Å; V239-M253 HydrophobicContact CG2-CE 4.33Å; L249-M253 WeakPolarHBondContact O-CG 3.26Å; L249-M253 PolarHBondContact O-N 3.04Å; Q250-M253 PolarHBondContact O-N 3.12Å; M253-L256 PolarHBondContact O-N 3.37Å; M253-Q257 WeakPolarHBondContact O-CB 2.98Å; M253-Q257 PolarHBondContact O-N 3.49Å
254	L	72.4	Confident	65.8	Low	67 Å²	67	52.1 Å²	52.1	35%	0.351	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-40.4	175.9	-174.1	70.9	0	0	0	112.2	Q250 R251 L256 Q257 K258	Q250-L254 WeakPolarHBondContact O-CB 3.48Å; Q250-L254 PolarHBondContact O-N 3.25Å; R251-L254 PolarHBondContact O-N 3.29Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-Q257 WeakPolarHBondContact O-CB 3.44Å; L254-Q257 PolarHBondContact O-N 2.88Å; L254-K258 WeakPolarHBondContact O-CG 3.44Å; L254-K258 PolarHBondContact O-N 3.15Å
255	A	74.7	Confident	67.1	Low	36 Å²	36	48.7 Å²	48.7	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-39.7	174.9	0	0	0	0	0	111.2	R251 K252 K258 A259 I776	R251-A255 WeakPolarHBondContact O-CB 3.43Å; R251-A255 PolarHBondContact O-N 3.34Å; K252-A255 PolarHBondContact O-N 3.47Å; A255-K258 PolarHBondContact O-N 3.13Å; A255-A259 WeakPolarHBondContact O-CB 3.48Å; A255-A259 PolarHBondContact O-N 3.08Å; A255-I776 HydrophobicContact CB-CD1 3.87Å; A255-I776 HydrophobicContact CB-CG1 3.94Å; A255-I776 HydrophobicContact CB-CG2 3.85Å
256	L	72.6	Confident	68.3	Low	12 Å²	12	43.9 Å²	43.9	6%	0.063	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-36.7	177.8	-165.5	138.3	0	0	0	111.4	P237 K252 M253 L254 A259 L260 I776	P237-L256 HydrophobicContact CG-CD2 3.54Å; K252-L256 WeakPolarHBondContact O-CB 3.42Å; K252-L256 PolarHBondContact O-N 3.26Å; M253-L256 PolarHBondContact O-N 3.37Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L256-A259 PolarHBondContact O-N 3.07Å; L256-L260 HydrophobicContact CD2-CD1 3.46Å; L256-L260 VanDerWaalsContact CD2-CD1 3.46Å; L256-L260 HydrophobicContact CD2-CG 4.41Å; L256-L260 HydrophobicContact CG-CD1 4.06Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 WeakPolarHBondContact O-CG 3.29Å; L256-L260 PolarHBondContact O-N 3.26Å; L256-I776 HydrophobicContact CB-CD1 3.6Å; L256-I776 HydrophobicContact CD1-CD1 4.3Å; L256-I776 HydrophobicContact CG-CD1 4.2Å; L256-I776 VanDerWaalsContact N-CD1 3.26Å
257	Q	72.1	Confident	69.4	Low	7 Å²	7	46.1 Å²	46.1	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-47.1	170.4	-178.4	174.8	30.3	0	0	111.2	P236 M253 L254 A261 C366	P236-Q257 HydrophobicContact CB-CB 4.2Å; P236-Q257 HydrophobicContact CB-CG 3.92Å; M253-Q257 WeakPolarHBondContact O-CB 2.98Å; M253-Q257 PolarHBondContact O-N 3.49Å; L254-Q257 WeakPolarHBondContact O-CB 3.44Å; L254-Q257 PolarHBondContact O-N 2.88Å; Q257-A261 VanDerWaalsContact O-CB 3.29Å; Q257-A261 WeakPolarHBondContact O-CB 3.34Å; Q257-A261 PolarHBondContact O-N 3Å; Q257-A261 VanDerWaalsContact O-N 3.11Å; Q257-C366 VanDerWaalsContact CD-SG 3.58Å; Q257-C366 HydrophobicContact CG-CB 4.27Å; Q257-C366 WeakPolarHBondContact CG-SG 3.25Å; Q257-C366 PolarHBondContact NE2-SG 3.17Å
258	K	72.3	Confident	69.9	Low	125 Å²	125	49.2 Å²	49.2	54%	0.543	26%	0.263	S	S	.	.	H	α-helix	trans	-68	-35.9	178.1	-71.9	-177.1	178.8	-170.3	0	113.8	L254 A255 P262	L254-K258 WeakPolarHBondContact O-CG 3.44Å; L254-K258 PolarHBondContact O-N 3.15Å; A255-K258 PolarHBondContact O-N 3.13Å; K258-P262 WeakPolarHBondContact O-CD 3.4Å
259	A	70.5	Confident	70.3	Confident	25 Å²	25	48.9 Å²	48.9	21%	0.207	26%	0.261	C	S	.	.	H	α-helix	trans	-73.2	-27.5	-178.5	0	0	0	0	0	113.4	A255 L256 A772	A255-A259 WeakPolarHBondContact O-CB 3.48Å; A255-A259 PolarHBondContact O-N 3.08Å; L256-A259 PolarHBondContact O-N 3.07Å; A259-A772 HydrophobicContact CB-CB 4.39Å
260	L	68.7	Low	70.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-97	-28.5	-177	-66	177.5	0	0	0	113.8	L256 R769	L256-L260 HydrophobicContact CD2-CD1 3.46Å; L256-L260 VanDerWaalsContact CD2-CD1 3.46Å; L256-L260 HydrophobicContact CD2-CG 4.41Å; L256-L260 HydrophobicContact CG-CD1 4.06Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 WeakPolarHBondContact O-CG 3.29Å; L256-L260 PolarHBondContact O-N 3.26Å; L260-R769 HydrophobicContact CD1-CG 4.17Å
261	A	64.9	Low	71.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58	-37.8	179	0	0	0	0	0	116.8	Q257 D263 M264 C366 H367 M370	Q257-A261 VanDerWaalsContact O-CB 3.29Å; Q257-A261 WeakPolarHBondContact O-CB 3.34Å; Q257-A261 PolarHBondContact O-N 3Å; Q257-A261 VanDerWaalsContact O-N 3.11Å; A261-D263 PolarHBondContact O-N 3.42Å; A261-D263 VanDerWaalsContact O-N 3.08Å; A261-M264 PolarHBondContact O-N 2.96Å; A261-C366 HydrophobicContact CB-CB 3.97Å; A261-H367 PolarHBondContact O-CE1 3.48Å; A261-M370 HydrophobicContact CB-CE 3.69Å; A261-M370 HydrophobicContact CB-SD 4.25Å
262	P	60	Low	72.1	Confident	68 Å²	68	43.5 Å²	43.5	44%	0.442	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-70	-12.3	-163.1	23.2	-33.3	0	0	0	115.8	K258	K258-P262 WeakPolarHBondContact O-CD 3.4Å
263	D	60.3	Low	72.7	Confident	78 Å²	78	42.7 Å²	42.7	42%	0.417	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-97.4	-9.8	-178	-57.8	-57.9	0	0	0	114	A261 R768	A261-D263 PolarHBondContact O-N 3.42Å; A261-D263 VanDerWaalsContact O-N 3.08Å; D263-R768 IonicContact OD2-CZ 3.81Å; D263-R768 IonicContact OD2-NH1 3.44Å; D263-R768 PolarHBondContact OD2-NH1 2.97Å; D263-R768 IonicContact OD2-NH2 2.96Å; D263-R768 PolarHBondContact OD2-NH2 3.23Å
264	M	67.3	Low	73.6	Confident	10 Å²	10	41.1 Å²	41.1	5%	0.049	24%	0.238	C	C	.	.			trans	-121.8	99.2	-176.5	-169.6	-177.2	-66.9	0	0	110.7	W227 N231 L234 I235 A261 F269 L363 H367	W227-M264 HydrophobicContact CH2-CE 4.02Å; W227-M264 HydrophobicContact CH2-SD 3.81Å; W227-M264 HydrophobicContact CZ2-CE 4.19Å; W227-M264 HydrophobicContact CZ2-SD 4.28Å; N231-M264 HydrophobicContact CB-CE 3.59Å; L234-M264 HydrophobicContact CB-CE 4.13Å; I235-M264 HydrophobicContact CG1-CE 4.23Å; I235-M264 HydrophobicContact CG1-SD 4.34Å; A261-M264 PolarHBondContact O-N 2.96Å; M264-F269 HydrophobicContact SD-CD2 4.4Å; M264-L363 HydrophobicContact CB-CD1 4.33Å; M264-L363 HydrophobicContact CB-CD2 4.29Å; M264-L363 HydrophobicContact CG-CD2 3.74Å; M264-L363 HydrophobicContact SD-CD2 3.67Å; M264-H367 PolarHBondContact O-CE1 3.42Å; M264-H367 PolarHBondContact O-NE2 2.84Å
265	S	71.7	Confident	74.5	Confident	45 Å²	45	43.2 Å²	43.2	32%	0.315	25%	0.245	S	C	.	.			trans	-64.1	136.1	170.1	57.7	0	0	0	0	110.5	D267 N268	S265-D267 PolarHBondContact O-N 2.84Å; S265-D267 VanDerWaalsContact O-N 3.17Å; S265-N268 PolarHBondContact O-N 3.32Å; S265-N268 WeakPolarHBondContact OG-CB 3.48Å; S265-N268 PolarHBondContact OG-ND2 2.81Å
266	P	70.5	Confident	75.3	Confident	23 Å²	23	43.5 Å²	43.5	15%	0.149	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-59.3	-29	179.5	24	-33.4	0	0	0	113.3	N268 F269 L363 E364	P266-N268 PolarHBondContact O-N 2.77Å; P266-F269 VanDerWaalsContact O-CB 3.27Å; P266-F269 WeakPolarHBondContact O-CB 3.36Å; P266-F269 PolarHBondContact O-N 2.99Å; P266-L363 HydrophobicContact CB-CD2 4.44Å; P266-E364 HydrophobicContact CB-CG 3.48Å; P266-E364 VanDerWaalsContact CB-CG 3.48Å; P266-E364 HydrophobicContact CG-CG 4.26Å
267	D	72.9	Confident	76.2	Confident	143 Å²	143	43 Å²	43	77%	0.765	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-67.3	-23	178.1	-61.3	-28.4	0	0	0	113.8	S265 F269	S265-D267 PolarHBondContact O-N 2.84Å; S265-D267 VanDerWaalsContact O-N 3.17Å; D267-F269 VanDerWaalsContact C-N 3.35Å
268	N	74.9	Confident	77.1	Confident	104 Å²	104	45.8 Å²	45.8	56%	0.556	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-94.2	8.6	178.6	-74.9	-24.1	0	0	0	112.5	W227 S265 P266 G270 G271	W227-N268 WeakPolarHBondContact CZ2-O 3.23Å; S265-N268 PolarHBondContact O-N 3.32Å; S265-N268 WeakPolarHBondContact OG-CB 3.48Å; S265-N268 PolarHBondContact OG-ND2 2.81Å; P266-N268 PolarHBondContact O-N 2.77Å; N268-G270 PolarHBondContact O-N 3.41Å; N268-G271 PolarHBondContact O-N 3.43Å
269	F	76.2	Confident	78.1	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	122.4	177.3	-164.8	-86.4	0	0	0	110.3	W227 F228 I235 M264 P266 D267 A306 P356 M359 K360 L363	W227-F269 HydrophobicContact CH2-CD2 4.15Å; W227-F269 HydrophobicContact CH2-CG 4.39Å; W227-F269 HydrophobicContact CZ3-CD2 4.31Å; W227-F269 HydrophobicContact CZ3-CE2 4.49Å; W227-F269 HydrophobicContact CZ3-CG 4.43Å; F228-F269 HydrophobicContact CD2-CZ 4.38Å; F228-F269 HydrophobicContact CE2-CZ 4.29Å; I235-F269 HydrophobicContact CD1-CE2 4.17Å; M264-F269 HydrophobicContact SD-CD2 4.4Å; P266-F269 VanDerWaalsContact O-CB 3.27Å; P266-F269 WeakPolarHBondContact O-CB 3.36Å; P266-F269 PolarHBondContact O-N 2.99Å; D267-F269 VanDerWaalsContact C-N 3.35Å; F269-A306 VanDerWaalsContact CD1-O 3.26Å; F269-A306 WeakPolarHBondContact CD1-O 3.14Å; F269-P356 HydrophobicContact CE1-CB 4.2Å; F269-P356 WeakPolarHBondContact CE1-O 3.23Å; F269-P356 WeakPolarHBondContact CZ-O 3.35Å; F269-M359 HydrophobicContact CE2-CB 4.28Å; F269-M359 HydrophobicContact CZ-CB 4.05Å; F269-K360 HydrophobicContact CB-CD 4.22Å; F269-K360 HydrophobicContact CB-CG 4.07Å; F269-K360 HydrophobicContact CD1-CB 3.87Å; F269-K360 HydrophobicContact CD1-CD 4.1Å; F269-K360 HydrophobicContact CD1-CG 4.08Å; F269-K360 HydrophobicContact CD2-CB 4.15Å; F269-K360 HydrophobicContact CD2-CG 4.37Å; F269-K360 HydrophobicContact CE1-CB 3.96Å; F269-K360 HydrophobicContact CE2-CB 4.24Å; F269-K360 HydrophobicContact CG-CB 3.97Å; F269-K360 HydrophobicContact CG-CD 4.26Å; F269-K360 HydrophobicContact CG-CG 3.92Å; F269-K360 HydrophobicContact CZ-CB 4.14Å; F269-L363 HydrophobicContact CD2-CD2 4.15Å
270	G	75.7	Confident	79.1	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.01	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	-2	-170.9	0	0	0	0	0	114.6	N268	N268-G270 PolarHBondContact O-N 3.41Å
271	G	84.4	Confident	80.3	Confident	12 Å²	12	46.4 Å²	46.4	12%	0.124	24%	0.241	C	C	.	.	H	α-helix	trans	67.6	-169.6	173.7	0	0	0	0	0	114.6	N268 A273 L274	N268-G271 PolarHBondContact O-N 3.43Å; G271-A273 PolarHBondContact O-N 3.12Å; G271-L274 PolarHBondContact O-N 3.11Å
272	P	86.5	Confident	81.6	Confident	85 Å²	85	54 Å²	54	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-66.8	-20.7	-175.2	27.7	-35.2	0	0	0	113.3	L274 H275 K276	P272-L274 VanDerWaalsContact C-N 3.33Å; P272-L274 PolarHBondContact O-N 3.27Å; P272-H275 PolarHBondContact O-N 2.82Å; P272-K276 PolarHBondContact O-N 3.32Å
273	A	88.4	Confident	83.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-36.1	178.9	0	0	0	0	0	112.5	D223 I224 G271 H275 K276 V277	D223-A273 HydrophobicContact CB-CB 3.82Å; I224-A273 HydrophobicContact CD1-CB 4.37Å; I224-A273 HydrophobicContact CG1-CB 3.66Å; G271-A273 PolarHBondContact O-N 3.12Å; A273-H275 VanDerWaalsContact C-N 3.3Å; A273-H275 PolarHBondContact O-N 3.08Å; A273-K276 WeakPolarHBondContact O-CA 3.45Å; A273-K276 WeakPolarHBondContact O-CB 3.17Å; A273-K276 PolarHBondContact O-N 3.11Å; A273-V277 WeakPolarHBondContact O-CG2 3.4Å; A273-V277 PolarHBondContact O-N 2.91Å
274	L	89.2	Confident	84.5	Confident	20 Å²	20	52.6 Å²	52.6	11%	0.105	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-42.3	175.3	-180	59.6	0	0	0	111.8	G271 P272 K276 V277 Y278 L303 A306	G271-L274 PolarHBondContact O-N 3.11Å; P272-L274 VanDerWaalsContact C-N 3.33Å; P272-L274 PolarHBondContact O-N 3.27Å; L274-K276 VanDerWaalsContact C-N 3.28Å; L274-K276 PolarHBondContact O-N 3.36Å; L274-V277 WeakPolarHBondContact O-CB 3.45Å; L274-V277 PolarHBondContact O-N 3.37Å; L274-Y278 HydrophobicContact CD1-CD2 3.91Å; L274-Y278 HydrophobicContact CD1-CE2 3.76Å; L274-Y278 HydrophobicContact CG-CD2 4.09Å; L274-Y278 HydrophobicContact CG-CE2 4.18Å; L274-Y278 PolarHBondContact O-N 3.4Å; L274-L303 HydrophobicContact CD1-CD2 4.06Å; L274-A306 HydrophobicContact CB-CB 4.45Å; L274-A306 HydrophobicContact CD1-CB 3.62Å; L274-A306 HydrophobicContact CD2-CB 4.07Å; L274-A306 HydrophobicContact CG-CB 4.24Å
275	H	89.9	Confident	85.4	Confident	110 Å²	110	54.8 Å²	54.8	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-35.2	176.4	-170.7	72.4	0	0	0	111.9	P272 A273 R279	P272-H275 PolarHBondContact O-N 2.82Å; A273-H275 VanDerWaalsContact C-N 3.3Å; A273-H275 PolarHBondContact O-N 3.08Å; H275-R279 PolarHBondContact CD2-NH2 3.49Å; H275-R279 PolarHBondContact NE2-NE 3.41Å; H275-R279 PolarHBondContact NE2-NH2 3.27Å; H275-R279 WeakPolarHBondContact O-CB 3.4Å; H275-R279 PolarHBondContact O-N 2.94Å
276	K	91.3	Very high	86.3	Confident	43 Å²	43	59 Å²	59	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-41.2	173.5	-61.9	175.4	-169.8	168.7	0	111.3	S191 F195 P272 A273 L274 R279 F280	S191-K276 WeakPolarHBondContact OG-CD 3.4Å; S191-K276 PolarHBondContact OG-NZ 2.98Å; F195-K276 HydrophobicContact CD2-CB 4.34Å; F195-K276 HydrophobicContact CD2-CD 3.92Å; F195-K276 HydrophobicContact CE2-CB 3.7Å; F195-K276 HydrophobicContact CE2-CD 4.03Å; F195-K276 HydrophobicContact CE2-CG 4.35Å; F195-K276 HydrophobicContact CZ-CB 4.29Å; P272-K276 PolarHBondContact O-N 3.32Å; A273-K276 WeakPolarHBondContact O-CA 3.45Å; A273-K276 WeakPolarHBondContact O-CB 3.17Å; A273-K276 PolarHBondContact O-N 3.11Å; L274-K276 VanDerWaalsContact C-N 3.28Å; L274-K276 PolarHBondContact O-N 3.36Å; K276-R279 PolarHBondContact O-N 3.17Å; K276-F280 WeakPolarHBondContact O-CB 3.49Å; K276-F280 PolarHBondContact O-N 3.31Å
277	V	92	Very high	87.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-54	174.8	174.8	0	0	0	0	110.3	F217 C220 I224 A273 L274 R279 F280 W281 L299 A302 L303	F217-V277 HydrophobicContact CD1-CG1 4.17Å; F217-V277 HydrophobicContact CE1-CG1 4.03Å; C220-V277 HydrophobicContact CB-CG2 3.38Å; I224-V277 HydrophobicContact CD1-CG2 4.38Å; A273-V277 WeakPolarHBondContact O-CG2 3.4Å; A273-V277 PolarHBondContact O-N 2.91Å; L274-V277 WeakPolarHBondContact O-CB 3.45Å; L274-V277 PolarHBondContact O-N 3.37Å; V277-R279 PolarHBondContact O-N 3.14Å; V277-F280 PolarHBondContact O-N 3.12Å; V277-W281 VanDerWaalsContact O-CB 3.25Å; V277-W281 WeakPolarHBondContact O-CB 3.2Å; V277-W281 PolarHBondContact O-N 3.22Å; V277-L299 HydrophobicContact CG1-CD1 3.59Å; V277-A302 HydrophobicContact CG1-CB 4.43Å; V277-A302 HydrophobicContact CG2-CB 3.95Å; V277-L303 HydrophobicContact CG1-CD2 3.97Å; V277-L303 HydrophobicContact CG1-CG 4.3Å
278	Y	91.6	Very high	87.6	Confident	66 Å²	66	64 Å²	64	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-43.9	-180	-88.8	-66.2	0	0	0	113.2	L274 F280 W281 R282 L303 D308	L274-Y278 HydrophobicContact CD1-CD2 3.91Å; L274-Y278 HydrophobicContact CD1-CE2 3.76Å; L274-Y278 HydrophobicContact CG-CD2 4.09Å; L274-Y278 HydrophobicContact CG-CE2 4.18Å; L274-Y278 PolarHBondContact O-N 3.4Å; Y278-F280 VanDerWaalsContact C-N 3.29Å; Y278-F280 PolarHBondContact O-N 3.37Å; Y278-W281 AromaticContact CD1-CE3 4Å; Y278-W281 HydrophobicContact CD1-CE3 4Å; Y278-W281 HydrophobicContact CD1-CZ3 4.34Å; Y278-W281 AromaticContact CE1-CE3 3.96Å; Y278-W281 HydrophobicContact CE1-CE3 3.96Å; Y278-W281 AromaticContact CE1-CZ3 3.82Å; Y278-W281 HydrophobicContact CE1-CZ3 3.82Å; Y278-R282 VanDerWaalsContact O-CB 3.25Å; Y278-R282 WeakPolarHBondContact O-CB 3.23Å; Y278-R282 PolarHBondContact O-N 2.93Å; Y278-L303 HydrophobicContact CE2-CD2 4Å; Y278-D308 WeakPolarHBondContact CE2-OD2 3.22Å; Y278-D308 PolarHBondContact OH-OD2 3.17Å
279	R	92.6	Very high	88.1	Confident	146 Å²	146	61.2 Å²	61.2	55%	0.551	28%	0.283	S	S	*	.	H	α-helix	trans	-62.1	-40.4	176.9	-174	-175.5	-64.8	175.7	-5.9	111.2	H275 K276 V277 R283	H275-R279 PolarHBondContact CD2-NH2 3.49Å; H275-R279 PolarHBondContact NE2-NE 3.41Å; H275-R279 PolarHBondContact NE2-NH2 3.27Å; H275-R279 WeakPolarHBondContact O-CB 3.4Å; H275-R279 PolarHBondContact O-N 2.94Å; K276-R279 PolarHBondContact O-N 3.17Å; V277-R279 PolarHBondContact O-N 3.14Å; R279-R283 VanDerWaalsContact O-CG 3.27Å; R279-R283 WeakPolarHBondContact O-CG 3.33Å; R279-R283 PolarHBondContact O-N 3.16Å
280	F	93	Very high	88.3	Confident	6 Å²	6	65.5 Å²	65.5	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-73.5	-45.4	-179.2	-173.6	-122.1	0	0	0	112	F195 Y198 Y213 L216 F217 K276 V277 Y278 R282 R283 L284	F195-F280 HydrophobicContact CE1-CB 3.98Å; F195-F280 HydrophobicContact CE1-CD1 4.26Å; F195-F280 AromaticContact CE1-CD2 3.77Å; F195-F280 HydrophobicContact CE1-CD2 3.77Å; F195-F280 HydrophobicContact CE1-CE2 4.33Å; F195-F280 AromaticContact CE1-CG 3.74Å; F195-F280 HydrophobicContact CE1-CG 3.74Å; F195-F280 HydrophobicContact CZ-CB 3.93Å; F195-F280 HydrophobicContact CZ-CD1 4.34Å; F195-F280 HydrophobicContact CZ-CD2 4.49Å; F195-F280 HydrophobicContact CZ-CG 4.01Å; Y198-F280 AromaticContact CE1-CE2 3.95Å; Y198-F280 HydrophobicContact CE1-CE2 3.95Å; Y213-F280 HydrophobicContact CD1-CE1 4.15Å; Y213-F280 AromaticContact CD1-CZ 3.5Å; Y213-F280 HydrophobicContact CD1-CZ 3.5Å; Y213-F280 VanDerWaalsContact CD1-CZ 3.5Å; Y213-F280 AromaticContact CE1-CZ 3.98Å; Y213-F280 HydrophobicContact CE1-CZ 3.98Å; Y213-F280 HydrophobicContact CG-CZ 4.25Å; L216-F280 HydrophobicContact CB-CE1 4.21Å; L216-F280 HydrophobicContact CD1-CE1 3.99Å; L216-F280 HydrophobicContact CD1-CE2 4.2Å; L216-F280 HydrophobicContact CD1-CZ 3.66Å; F217-F280 HydrophobicContact CD1-CD1 4.3Å; F217-F280 AromaticContact CE1-CD1 3.65Å; F217-F280 HydrophobicContact CE1-CD1 3.65Å; F217-F280 HydrophobicContact CE1-CE1 4.41Å; F217-F280 HydrophobicContact CE2-CD1 4.05Å; F217-F280 HydrophobicContact CE2-CE1 4.02Å; F217-F280 AromaticContact CZ-CD1 3.52Å; F217-F280 HydrophobicContact CZ-CD1 3.52Å; F217-F280 AromaticContact CZ-CE1 3.95Å; F217-F280 HydrophobicContact CZ-CE1 3.95Å; K276-F280 WeakPolarHBondContact O-CB 3.49Å; K276-F280 PolarHBondContact O-N 3.31Å; V277-F280 PolarHBondContact O-N 3.12Å; Y278-F280 VanDerWaalsContact C-N 3.29Å; Y278-F280 PolarHBondContact O-N 3.37Å; F280-R282 VanDerWaalsContact C-N 3.34Å; F280-R282 PolarHBondContact O-N 3.38Å; F280-R283 WeakPolarHBondContact O-CB 3.37Å; F280-R283 PolarHBondContact O-N 3.36Å; F280-R283 VanDerWaalsContact O-N 3.09Å; F280-L284 HydrophobicContact CD1-CD1 4.25Å; F280-L284 HydrophobicContact CE1-CD1 3.79Å; F280-L284 HydrophobicContact CE1-CG 4.31Å; F280-L284 HydrophobicContact CE2-CD2 4.41Å; F280-L284 HydrophobicContact CE2-CG 4.48Å; F280-L284 HydrophobicContact CZ-CD1 4.08Å; F280-L284 HydrophobicContact CZ-CD2 4.11Å; F280-L284 HydrophobicContact CZ-CG 4.19Å; F280-L284 PolarHBondContact O-N 2.76Å
281	W	93	Very high	88.8	Confident	12 Å²	12	66.1 Å²	66.1	5%	0.045	31%	0.314	C	S	.	.	H	α-helix	trans	-57.5	-46.5	175	-176	24.2	0	0	0	111.6	F217 V277 Y278 R283 L284 T285 L299 L303 R314 A315 M318	F217-W281 HydrophobicContact CE1-CB 4.46Å; F217-W281 HydrophobicContact CZ-CB 4.31Å; V277-W281 VanDerWaalsContact O-CB 3.25Å; V277-W281 WeakPolarHBondContact O-CB 3.2Å; V277-W281 PolarHBondContact O-N 3.22Å; Y278-W281 AromaticContact CD1-CE3 4Å; Y278-W281 HydrophobicContact CD1-CE3 4Å; Y278-W281 HydrophobicContact CD1-CZ3 4.34Å; Y278-W281 AromaticContact CE1-CE3 3.96Å; Y278-W281 HydrophobicContact CE1-CE3 3.96Å; Y278-W281 AromaticContact CE1-CZ3 3.82Å; Y278-W281 HydrophobicContact CE1-CZ3 3.82Å; W281-R283 VanDerWaalsContact C-N 3.29Å; W281-R283 PolarHBondContact O-N 3.45Å; W281-L284 PolarHBondContact O-N 2.88Å; W281-L284 VanDerWaalsContact O-N 3.08Å; W281-T285 PolarHBondContact O-N 2.74Å; W281-T285 PolarHBondContact O-OG1 3.41Å; W281-L299 HydrophobicContact CB-CD1 4.3Å; W281-L299 HydrophobicContact CD2-CD1 4.1Å; W281-L299 HydrophobicContact CD2-CD2 3.81Å; W281-L299 VanDerWaalsContact CE2-CD2 3.47Å; W281-L299 HydrophobicContact CE3-CD1 4.27Å; W281-L299 HydrophobicContact CG-CD1 4.16Å; W281-L299 HydrophobicContact CG-CD2 3.95Å; W281-L299 HydrophobicContact CZ2-CD2 3.84Å; W281-L303 HydrophobicContact CE3-CD1 4.39Å; W281-L303 HydrophobicContact CH2-CD1 4.19Å; W281-L303 HydrophobicContact CZ3-CD1 3.85Å; W281-R314 HydrophobicContact CH2-CB 4.39Å; W281-R314 HydrophobicContact CH2-CG 4.36Å; W281-A315 HydrophobicContact CH2-CB 3.77Å; W281-A315 HydrophobicContact CZ2-CB 3.67Å; W281-M318 HydrophobicContact CH2-CE 4.01Å; W281-M318 HydrophobicContact CZ2-CE 2.98Å; W281-M318 VanDerWaalsContact NE1-CE 3.3Å
282	R	92.5	Very high	88.9	Confident	159 Å²	159	68 Å²	68	60%	0.6	32%	0.321	S	S	*	.	H	α-helix	trans	-57.3	-40.8	174.6	-170.5	-174.4	-64.4	180	-2.2	112.3	Y278 F280 T285 E286	Y278-R282 VanDerWaalsContact O-CB 3.25Å; Y278-R282 WeakPolarHBondContact O-CB 3.23Å; Y278-R282 PolarHBondContact O-N 2.93Å; F280-R282 VanDerWaalsContact C-N 3.34Å; F280-R282 PolarHBondContact O-N 3.38Å; R282-T285 WeakPolarHBondContact CA-OG1 3.27Å; R282-T285 PolarHBondContact O-N 3.14Å; R282-T285 PolarHBondContact O-OG1 3.01Å; R282-E286 VanDerWaalsContact CD-OE1 3.26Å; R282-E286 WeakPolarHBondContact CD-OE1 3.46Å; R282-E286 HydrophobicContact CG-CG 4.21Å; R282-E286 VanDerWaalsContact CG-OE1 3.26Å; R282-E286 WeakPolarHBondContact CG-OE1 3.25Å; R282-E286 WeakPolarHBondContact O-CB 3.5Å; R282-E286 VanDerWaalsContact O-CG 3.23Å; R282-E286 WeakPolarHBondContact O-CG 3.49Å; R282-E286 PolarHBondContact O-N 3.47Å
283	R	90.5	Very high	88.9	Confident	114 Å²	114	66.2 Å²	66.2	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-34.7	176.8	-72.9	175.3	76.6	-172.3	5	112.8	R279 F280 W281 K287	R279-R283 VanDerWaalsContact O-CG 3.27Å; R279-R283 WeakPolarHBondContact O-CG 3.33Å; R279-R283 PolarHBondContact O-N 3.16Å; F280-R283 WeakPolarHBondContact O-CB 3.37Å; F280-R283 PolarHBondContact O-N 3.36Å; F280-R283 VanDerWaalsContact O-N 3.09Å; W281-R283 VanDerWaalsContact C-N 3.29Å; W281-R283 PolarHBondContact O-N 3.45Å; R283-K287 WeakPolarHBondContact O-CB 3.2Å; R283-K287 VanDerWaalsContact O-CG 3.26Å; R283-K287 WeakPolarHBondContact O-CG 3.42Å; R283-K287 PolarHBondContact O-N 2.82Å
284	L	89.7	Confident	88.8	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-41.8	174.9	-67.1	178.6	0	0	0	110.9	Y213 F217 F280 W281 K287 N288 I289 M291	Y213-L284 HydrophobicContact CD1-CD2 4.22Å; Y213-L284 HydrophobicContact CD2-CD2 4.15Å; Y213-L284 HydrophobicContact CE1-CD2 3.94Å; Y213-L284 HydrophobicContact CE2-CD2 3.95Å; Y213-L284 HydrophobicContact CG-CD1 4.37Å; Y213-L284 HydrophobicContact CG-CD2 4.27Å; F217-L284 HydrophobicContact CE2-CD1 3.86Å; F217-L284 HydrophobicContact CZ-CD1 3.96Å; F280-L284 HydrophobicContact CD1-CD1 4.25Å; F280-L284 HydrophobicContact CE1-CD1 3.79Å; F280-L284 HydrophobicContact CE1-CG 4.31Å; F280-L284 HydrophobicContact CE2-CD2 4.41Å; F280-L284 HydrophobicContact CE2-CG 4.48Å; F280-L284 HydrophobicContact CZ-CD1 4.08Å; F280-L284 HydrophobicContact CZ-CD2 4.11Å; F280-L284 HydrophobicContact CZ-CG 4.19Å; F280-L284 PolarHBondContact O-N 2.76Å; W281-L284 PolarHBondContact O-N 2.88Å; W281-L284 VanDerWaalsContact O-N 3.08Å; L284-K287 PolarHBondContact O-N 3.14Å; L284-N288 PolarHBondContact O-N 3.43Å; L284-I289 HydrophobicContact CD2-CB 4.31Å; L284-I289 HydrophobicContact CD2-CD1 3.82Å; L284-I289 HydrophobicContact CD2-CG2 4.36Å; L284-I289 PolarHBondContact O-N 3.4Å; L284-M291 HydrophobicContact CD1-CG 4.41Å; L284-M291 HydrophobicContact CD1-SD 3.74Å
285	T	88	Confident	88.9	Confident	57 Å²	57	71.7 Å²	71.7	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-43.5	177.4	56.2	0	0	0	0	112.3	W281 R282 K287 N288 M318	W281-T285 PolarHBondContact O-N 2.74Å; W281-T285 PolarHBondContact O-OG1 3.41Å; R282-T285 WeakPolarHBondContact CA-OG1 3.27Å; R282-T285 PolarHBondContact O-N 3.14Å; R282-T285 PolarHBondContact O-OG1 3.01Å; T285-K287 PolarHBondContact O-N 3.31Å; T285-N288 PolarHBondContact O-N 2.91Å; T285-N288 PolarHBondContact O-OD1 2.96Å; T285-M318 HydrophobicContact CG2-CE 4.26Å
286	E	89.6	Confident	88.9	Confident	132 Å²	132	67.1 Å²	67.1	62%	0.617	31%	0.307	S	S	*	.	H	α-helix	trans	-62.7	-32.2	177.4	-76.7	169.5	-178	0	0	112.4	R282 N288	R282-E286 VanDerWaalsContact CD-OE1 3.26Å; R282-E286 WeakPolarHBondContact CD-OE1 3.46Å; R282-E286 HydrophobicContact CG-CG 4.21Å; R282-E286 VanDerWaalsContact CG-OE1 3.26Å; R282-E286 WeakPolarHBondContact CG-OE1 3.25Å; R282-E286 WeakPolarHBondContact O-CB 3.5Å; R282-E286 VanDerWaalsContact O-CG 3.23Å; R282-E286 WeakPolarHBondContact O-CG 3.49Å; R282-E286 PolarHBondContact O-N 3.47Å; E286-N288 VanDerWaalsContact C-N 3.31Å
287	K	87.7	Confident	88.9	Confident	131 Å²	131	65.3 Å²	65.3	57%	0.57	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1.1	176.7	-70.5	-176	172.4	-164.1	0	113.6	R283 L284 T285 I289	R283-K287 WeakPolarHBondContact O-CB 3.2Å; R283-K287 VanDerWaalsContact O-CG 3.26Å; R283-K287 WeakPolarHBondContact O-CG 3.42Å; R283-K287 PolarHBondContact O-N 2.82Å; L284-K287 PolarHBondContact O-N 3.14Å; T285-K287 PolarHBondContact O-N 3.31Å; K287-I289 HydrophobicContact CB-CD1 3.74Å; K287-I289 HydrophobicContact CB-CG1 3.79Å; K287-I289 HydrophobicContact CD-CD1 3.94Å; K287-I289 PolarHBondContact O-N 3.49Å
288	N	83.9	Confident	88.9	Confident	142 Å²	142	65.9 Å²	65.9	76%	0.759	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	39.9	-175	-62.7	-41.5	0	0	0	113.2	L284 T285 E286 P290	L284-N288 PolarHBondContact O-N 3.43Å; T285-N288 PolarHBondContact O-N 2.91Å; T285-N288 PolarHBondContact O-OD1 2.96Å; E286-N288 VanDerWaalsContact C-N 3.31Å; N288-P290 WeakPolarHBondContact O-CD 3.29Å
289	I	84.4	Confident	89	Confident	45 Å²	45	62.7 Å²	62.7	23%	0.231	29%	0.292	C	S	.	.			trans	-81.4	117.1	178.5	-64.4	167.5	0	0	0	107.7	Y213 L284 K287 M291	Y213-I289 HydrophobicContact CD2-CG2 4.5Å; Y213-I289 HydrophobicContact CE2-CG2 3.66Å; L284-I289 HydrophobicContact CD2-CB 4.31Å; L284-I289 HydrophobicContact CD2-CD1 3.82Å; L284-I289 HydrophobicContact CD2-CG2 4.36Å; L284-I289 PolarHBondContact O-N 3.4Å; K287-I289 HydrophobicContact CB-CD1 3.74Å; K287-I289 HydrophobicContact CB-CG1 3.79Å; K287-I289 HydrophobicContact CD-CD1 3.94Å; K287-I289 PolarHBondContact O-N 3.49Å; I289-M291 PolarHBondContact O-N 3.49Å
290	P	81.2	Confident	88.9	Confident	92 Å²	92	55.8 Å²	55.8	60%	0.597	27%	0.265	S	S	*	.			trans	-62.3	139.6	178.6	26.9	-34	0	0	0	109.2	Q210 N288	Q210-P290 PolarHBondContact NE2-O 3.16Å; Q210-P290 PolarHBondContact OE1-O 2.63Å; N288-P290 WeakPolarHBondContact O-CD 3.29Å
291	M	85.2	Confident	88.9	Confident	14 Å²	14	56.2 Å²	56.2	7%	0.069	27%	0.268	C	S	.	.			trans	-110.1	135.9	176.2	-71	-173.3	-64.7	0	0	109.4	F217 L284 I289 T295 Y296 L299	F217-M291 HydrophobicContact CE2-SD 4.43Å; L284-M291 HydrophobicContact CD1-CG 4.41Å; L284-M291 HydrophobicContact CD1-SD 3.74Å; I289-M291 PolarHBondContact O-N 3.49Å; M291-T295 HydrophobicContact CB-CG2 4.19Å; M291-T295 HydrophobicContact CG-CG2 3.95Å; M291-T295 HydrophobicContact SD-CG2 3.85Å; M291-Y296 HydrophobicContact CB-CD2 3.83Å; M291-Y296 HydrophobicContact CB-CE2 3.58Å; M291-Y296 HydrophobicContact CE-CD1 4.08Å; M291-Y296 HydrophobicContact CE-CE1 3.46Å; M291-Y296 VanDerWaalsContact CE-CE1 3.46Å; M291-Y296 HydrophobicContact CE-CE2 4.18Å; M291-Y296 WeakPolarHBondContact O-CE2 3.12Å; M291-L299 HydrophobicContact CE-CD2 4.48Å
292	N	86.8	Confident	88.8	Confident	52 Å²	52	55.6 Å²	55.6	28%	0.278	27%	0.266	S	S	.	.			trans	-80.9	171.1	173.6	70.6	1.6	0	0	0	111.7	Q210 F294 T295 Y296	Q210-N292 WeakPolarHBondContact CB-ND2 3.38Å; Q210-N292 HydrophobicContact CG-CB 4.38Å; N292-F294 VanDerWaalsContact C-N 3.3Å; N292-F294 PolarHBondContact O-N 2.99Å; N292-F294 PolarHBondContact OD1-N 3.08Å; N292-T295 PolarHBondContact O-N 3.26Å; N292-T295 VanDerWaalsContact O-N 3.1Å; N292-T295 WeakPolarHBondContact OD1-CB 3.19Å; N292-T295 PolarHBondContact OD1-N 3.43Å; N292-T295 PolarHBondContact OD1-OG1 2.76Å; N292-Y296 WeakPolarHBondContact O-CD2 3.46Å; N292-Y296 PolarHBondContact O-N 2.62Å; N292-Y296 VanDerWaalsContact O-N 3.08Å
293	Q	86.4	Confident	88.7	Confident	47 Å²	47	48 Å²	48	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-50.6	-47.6	177.2	-177.3	169.1	-20.5	0	0	112.3	T295 Y296 N297 M319 L340 V341 D343	Q293-T295 VanDerWaalsContact C-N 3.3Å; Q293-T295 PolarHBondContact O-N 2.83Å; Q293-Y296 PolarHBondContact O-N 2.81Å; Q293-N297 WeakPolarHBondContact O-CB 3.46Å; Q293-N297 PolarHBondContact O-N 2.86Å; Q293-N297 PolarHBondContact O-OD1 3.31Å; Q293-N297 VanDerWaalsContact O-OD1 3.06Å; Q293-M319 HydrophobicContact CB-CE 4.45Å; Q293-M319 HydrophobicContact CG-CE 3.88Å; Q293-L340 HydrophobicContact CB-CD2 3.77Å; Q293-V341 PolarHBondContact NE2-O 3Å; Q293-D343 VanDerWaalsContact NE2-CG 3.3Å; Q293-D343 PolarHBondContact NE2-OD2 3.17Å
294	F	87.3	Confident	88.7	Confident	135 Å²	135	42.6 Å²	42.6	59%	0.592	22%	0.217	S	C	*	.	H	α-helix	trans	-61.7	-36.4	-179.3	-60.1	-73.7	0	0	0	113.4	N292 A298	N292-F294 VanDerWaalsContact C-N 3.3Å; N292-F294 PolarHBondContact O-N 2.99Å; N292-F294 PolarHBondContact OD1-N 3.08Å; F294-A298 WeakPolarHBondContact O-CB 3.33Å; F294-A298 PolarHBondContact O-N 3Å
295	T	89.4	Confident	88.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71	-43.3	178.1	-53.5	0	0	0	0	110.5	Q210 S214 F217 M291 N292 Q293 A298 L299	Q210-T295 PolarHBondContact OE1-OG1 3.31Å; S214-T295 WeakPolarHBondContact OG-CA 3.38Å; S214-T295 PolarHBondContact OG-N 3.34Å; S214-T295 PolarHBondContact OG-OG1 3.27Å; S214-T295 VanDerWaalsContact OG-OG1 3.06Å; F217-T295 HydrophobicContact CD2-CG2 3.95Å; F217-T295 HydrophobicContact CE2-CG2 3.88Å; M291-T295 HydrophobicContact CB-CG2 4.19Å; M291-T295 HydrophobicContact CG-CG2 3.95Å; M291-T295 HydrophobicContact SD-CG2 3.85Å; N292-T295 PolarHBondContact O-N 3.26Å; N292-T295 VanDerWaalsContact O-N 3.1Å; N292-T295 WeakPolarHBondContact OD1-CB 3.19Å; N292-T295 PolarHBondContact OD1-N 3.43Å; N292-T295 PolarHBondContact OD1-OG1 2.76Å; Q293-T295 VanDerWaalsContact C-N 3.3Å; Q293-T295 PolarHBondContact O-N 2.83Å; T295-A298 PolarHBondContact O-N 2.91Å; T295-L299 WeakPolarHBondContact O-CB 3.4Å; T295-L299 PolarHBondContact O-N 2.79Å
296	Y	91.3	Very high	88.6	Confident	13 Å²	13	41.1 Å²	41.1	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-45	173	-85.2	-70.3	0	0	0	111.8	M291 N292 Q293 A298 L299 I300 M318 M319 T322 L340	M291-Y296 HydrophobicContact CB-CD2 3.83Å; M291-Y296 HydrophobicContact CB-CE2 3.58Å; M291-Y296 HydrophobicContact CE-CD1 4.08Å; M291-Y296 HydrophobicContact CE-CE1 3.46Å; M291-Y296 VanDerWaalsContact CE-CE1 3.46Å; M291-Y296 HydrophobicContact CE-CE2 4.18Å; M291-Y296 WeakPolarHBondContact O-CE2 3.12Å; N292-Y296 WeakPolarHBondContact O-CD2 3.46Å; N292-Y296 PolarHBondContact O-N 2.62Å; N292-Y296 VanDerWaalsContact O-N 3.08Å; Q293-Y296 PolarHBondContact O-N 2.81Å; Y296-A298 VanDerWaalsContact C-N 3.32Å; Y296-A298 PolarHBondContact O-N 3.25Å; Y296-L299 HydrophobicContact CD1-CD2 4.44Å; Y296-L299 WeakPolarHBondContact O-CB 3.46Å; Y296-L299 PolarHBondContact O-N 3.26Å; Y296-L299 VanDerWaalsContact O-N 3.16Å; Y296-I300 WeakPolarHBondContact O-CB 3.45Å; Y296-I300 VanDerWaalsContact O-CG1 3.29Å; Y296-I300 WeakPolarHBondContact O-CG1 3.07Å; Y296-I300 PolarHBondContact O-N 3.43Å; Y296-M318 HydrophobicContact CE1-CB 4.14Å; Y296-M318 PolarHBondContact OH-O 3.43Å; Y296-M319 HydrophobicContact CD1-CB 3.86Å; Y296-M319 HydrophobicContact CD2-CB 3.97Å; Y296-M319 HydrophobicContact CD2-CG 3.96Å; Y296-M319 HydrophobicContact CE1-CB 4.08Å; Y296-M319 HydrophobicContact CE2-CB 4.17Å; Y296-M319 HydrophobicContact CE2-CG 4.44Å; Y296-M319 HydrophobicContact CG-CB 3.8Å; Y296-M319 HydrophobicContact CG-CG 4.02Å; Y296-M319 HydrophobicContact CG-SD 4.31Å; Y296-T322 HydrophobicContact CE2-CG2 4.11Å; Y296-T322 WeakPolarHBondContact OH-CG2 3.48Å; Y296-L340 HydrophobicContact CD2-CD1 4.41Å; Y296-L340 HydrophobicContact CE2-CD1 4.31Å
297	N	91.5	Very high	88.3	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.032	18%	0.179	C	C	.	.	H	α-helix	trans	-56.9	-45.3	176.1	-74.3	14	0	0	0	111.7	Q293 I300 L301 D343 F345 T346	Q293-N297 WeakPolarHBondContact O-CB 3.46Å; Q293-N297 PolarHBondContact O-N 2.86Å; Q293-N297 PolarHBondContact O-OD1 3.31Å; Q293-N297 VanDerWaalsContact O-OD1 3.06Å; N297-I300 PolarHBondContact O-N 3.48Å; N297-L301 WeakPolarHBondContact O-CB 3.34Å; N297-L301 PolarHBondContact O-N 3.16Å; N297-D343 PolarHBondContact ND2-OD1 3.46Å; N297-D343 PolarHBondContact ND2-OD2 2.83Å; N297-F345 HydrophobicContact CB-CD1 3.66Å; N297-F345 HydrophobicContact CB-CE1 3.76Å; N297-T346 WeakPolarHBondContact OD1-CG2 3.46Å
298	A	91.9	Very high	88.1	Confident	11 Å²	11	30.1 Å²	30.1	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-38	177.3	0	0	0	0	0	112.6	F217 F294 T295 Y296 A302	F217-A298 HydrophobicContact CB-CB 3.8Å; F294-A298 WeakPolarHBondContact O-CB 3.33Å; F294-A298 PolarHBondContact O-N 3Å; T295-A298 PolarHBondContact O-N 2.91Å; Y296-A298 VanDerWaalsContact C-N 3.32Å; Y296-A298 PolarHBondContact O-N 3.25Å; A298-A302 PolarHBondContact O-N 3.41Å
299	L	93	Very high	88	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-50.1	174.2	168.9	65.6	0	0	0	111.6	F217 V277 W281 M291 T295 Y296 L301 A302 L303 A315	F217-L299 HydrophobicContact CD1-CB 4.36Å; F217-L299 HydrophobicContact CD1-CD1 4Å; F217-L299 HydrophobicContact CD2-CB 4.15Å; F217-L299 HydrophobicContact CE1-CB 4.43Å; F217-L299 HydrophobicContact CE1-CD1 3.6Å; F217-L299 HydrophobicContact CE2-CB 4.21Å; F217-L299 HydrophobicContact CG-CB 4.23Å; F217-L299 HydrophobicContact CZ-CB 4.35Å; F217-L299 HydrophobicContact CZ-CD1 3.94Å; V277-L299 HydrophobicContact CG1-CD1 3.59Å; W281-L299 HydrophobicContact CB-CD1 4.3Å; W281-L299 HydrophobicContact CD2-CD1 4.1Å; W281-L299 HydrophobicContact CD2-CD2 3.81Å; W281-L299 VanDerWaalsContact CE2-CD2 3.47Å; W281-L299 HydrophobicContact CE3-CD1 4.27Å; W281-L299 HydrophobicContact CG-CD1 4.16Å; W281-L299 HydrophobicContact CG-CD2 3.95Å; W281-L299 HydrophobicContact CZ2-CD2 3.84Å; M291-L299 HydrophobicContact CE-CD2 4.48Å; T295-L299 WeakPolarHBondContact O-CB 3.4Å; T295-L299 PolarHBondContact O-N 2.79Å; Y296-L299 HydrophobicContact CD1-CD2 4.44Å; Y296-L299 WeakPolarHBondContact O-CB 3.46Å; Y296-L299 PolarHBondContact O-N 3.26Å; Y296-L299 VanDerWaalsContact O-N 3.16Å; L299-L301 VanDerWaalsContact C-N 3.28Å; L299-L301 PolarHBondContact O-N 2.91Å; L299-A302 WeakPolarHBondContact O-CB 3.15Å; L299-A302 PolarHBondContact O-N 3.36Å; L299-A302 VanDerWaalsContact O-N 3.1Å; L299-L303 HydrophobicContact CD1-CD1 3.85Å; L299-L303 HydrophobicContact CD1-CG 4.16Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 WeakPolarHBondContact O-CG 3.2Å; L299-L303 PolarHBondContact O-N 3.14Å; L299-A315 HydrophobicContact CD2-CB 3.95Å; L299-A315 HydrophobicContact CG-CB 4.33Å
300	I	91.4	Very high	87.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.2	-42.4	178.1	-68	168	0	0	0	109.6	Y296 N297 A302 L303 A304 C312 A315 L316 V350	Y296-I300 WeakPolarHBondContact O-CB 3.45Å; Y296-I300 VanDerWaalsContact O-CG1 3.29Å; Y296-I300 WeakPolarHBondContact O-CG1 3.07Å; Y296-I300 PolarHBondContact O-N 3.43Å; N297-I300 PolarHBondContact O-N 3.48Å; I300-A302 PolarHBondContact O-N 3.26Å; I300-L303 PolarHBondContact O-N 3.49Å; I300-A304 WeakPolarHBondContact O-CB 3.5Å; I300-A304 PolarHBondContact O-N 3.42Å; I300-C312 HydrophobicContact CG2-CB 4.27Å; I300-C312 PolarHBondContact O-SG 3.41Å; I300-A315 HydrophobicContact CG1-CB 3.78Å; I300-L316 HydrophobicContact CD1-CB 4.49Å; I300-L316 HydrophobicContact CD1-CD1 4.46Å; I300-V350 HydrophobicContact CG2-CG2 3.66Å
301	L	91.9	Very high	88.1	Confident	15 Å²	15	20.3 Å²	20.3	8%	0.079	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-42.9	174.8	-179.2	69.4	0	0	0	112.3	A221 N297 L299 A304 K305 F345	A221-L301 HydrophobicContact CB-CD2 4.26Å; A221-L301 HydrophobicContact CB-CG 4.27Å; N297-L301 WeakPolarHBondContact O-CB 3.34Å; N297-L301 PolarHBondContact O-N 3.16Å; L299-L301 VanDerWaalsContact C-N 3.28Å; L299-L301 PolarHBondContact O-N 2.91Å; L301-A304 PolarHBondContact O-N 2.96Å; L301-K305 WeakPolarHBondContact O-CG 3.37Å; L301-K305 PolarHBondContact O-N 2.76Å; L301-F345 HydrophobicContact CD2-CZ 4.12Å
302	A	91.3	Very high	88.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-44.5	178.8	0	0	0	0	0	111.7	A221 I224 V277 A298 L299 I300 A304 A306	A221-A302 HydrophobicContact CB-CB 3.86Å; I224-A302 HydrophobicContact CD1-CB 4.45Å; I224-A302 WeakPolarHBondContact CD1-O 3.2Å; V277-A302 HydrophobicContact CG1-CB 4.43Å; V277-A302 HydrophobicContact CG2-CB 3.95Å; A298-A302 PolarHBondContact O-N 3.41Å; L299-A302 WeakPolarHBondContact O-CB 3.15Å; L299-A302 PolarHBondContact O-N 3.36Å; L299-A302 VanDerWaalsContact O-N 3.1Å; I300-A302 PolarHBondContact O-N 3.26Å; A302-A304 VanDerWaalsContact C-N 3.33Å; A302-A306 PolarHBondContact O-N 3.2Å
303	L	90.4	Very high	88	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.4	-38	175.6	-65.6	170.7	0	0	0	111.5	L274 V277 Y278 W281 L299 I300 A306 G307 D308 G311 A315	L274-L303 HydrophobicContact CD1-CD2 4.06Å; V277-L303 HydrophobicContact CG1-CD2 3.97Å; V277-L303 HydrophobicContact CG1-CG 4.3Å; Y278-L303 HydrophobicContact CE2-CD2 4Å; W281-L303 HydrophobicContact CE3-CD1 4.39Å; W281-L303 HydrophobicContact CH2-CD1 4.19Å; W281-L303 HydrophobicContact CZ3-CD1 3.85Å; L299-L303 HydrophobicContact CD1-CD1 3.85Å; L299-L303 HydrophobicContact CD1-CG 4.16Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 WeakPolarHBondContact O-CG 3.2Å; L299-L303 PolarHBondContact O-N 3.14Å; I300-L303 PolarHBondContact O-N 3.49Å; L303-A306 CarbonylContact O-C 3.56Å; L303-A306 WeakPolarHBondContact O-CB 3.47Å; L303-A306 PolarHBondContact O-N 3.29Å; L303-A306 VanDerWaalsContact O-N 3.17Å; L303-G307 PolarHBondContact O-N 2.86Å; L303-D308 PolarHBondContact O-N 3.15Å; L303-G311 WeakPolarHBondContact CD1-O 3.14Å; L303-A315 HydrophobicContact CD1-CB 4.23Å
304	A	90.2	Very high	88	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-46.5	178.5	0	0	0	0	0	111.7	I300 L301 A302 A306 G307 C312 S349 S353	I300-A304 WeakPolarHBondContact O-CB 3.5Å; I300-A304 PolarHBondContact O-N 3.42Å; L301-A304 PolarHBondContact O-N 2.96Å; A302-A304 VanDerWaalsContact C-N 3.33Å; A304-A306 PolarHBondContact O-N 2.77Å; A304-G307 PolarHBondContact O-N 3.12Å; A304-C312 VanDerWaalsContact CA-SG 3.56Å; A304-C312 PolarHBondContact N-SG 3.12Å; A304-S349 WeakPolarHBondContact CB-O 3.44Å; A304-S353 WeakPolarHBondContact O-CA 3.49Å
305	K	88.5	Confident	87.9	Confident	28 Å²	28	14.2 Å²	14.2	12%	0.122	7%	0.066	C	C	.	.	H	α-helix	trans	-62	-26.1	175.1	-74.4	-174.5	172	-174.6	0	113	A221 E222 I224 A225 L301 G307	A221-K305 HydrophobicContact CB-CD 4.07Å; A221-K305 WeakPolarHBondContact O-CD 3.45Å; E222-K305 IonicContact OE2-NZ 2.62Å; E222-K305 PolarHBondContact OE2-NZ 3.17Å; I224-K305 HydrophobicContact CB-CB 4.38Å; I224-K305 VanDerWaalsContact CG2-C 3.49Å; I224-K305 HydrophobicContact CG2-CB 3.91Å; I224-K305 WeakPolarHBondContact CG2-O 3.47Å; A225-K305 HydrophobicContact CB-CD 4.12Å; L301-K305 WeakPolarHBondContact O-CG 3.37Å; L301-K305 PolarHBondContact O-N 2.76Å; K305-G307 VanDerWaalsContact C-N 3.29Å
306	A	86.4	Confident	87.7	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.3	172.9	0	0	0	0	0	113.8	I224 F269 L274 A302 L303 A304 D308	I224-A306 HydrophobicContact CD1-CB 4.25Å; I224-A306 HydrophobicContact CG2-CB 4.12Å; F269-A306 VanDerWaalsContact CD1-O 3.26Å; F269-A306 WeakPolarHBondContact CD1-O 3.14Å; L274-A306 HydrophobicContact CB-CB 4.45Å; L274-A306 HydrophobicContact CD1-CB 3.62Å; L274-A306 HydrophobicContact CD2-CB 4.07Å; L274-A306 HydrophobicContact CG-CB 4.24Å; A302-A306 PolarHBondContact O-N 3.2Å; L303-A306 CarbonylContact O-C 3.56Å; L303-A306 WeakPolarHBondContact O-CB 3.47Å; L303-A306 PolarHBondContact O-N 3.29Å; L303-A306 VanDerWaalsContact O-N 3.17Å; A304-A306 PolarHBondContact O-N 2.77Å; A306-D308 VanDerWaalsContact C-N 3.28Å; A306-D308 PolarHBondContact O-N 2.71Å
307	G	83.2	Confident	87.4	Confident	6 Å²	6	14.9 Å²	14.9	6%	0.062	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	21.2	-177.3	0	0	0	0	0	114.2	L303 A304 K305 I309 A357	L303-G307 PolarHBondContact O-N 2.86Å; A304-G307 PolarHBondContact O-N 3.12Å; K305-G307 VanDerWaalsContact C-N 3.29Å; G307-I309 PolarHBondContact O-N 3.28Å; G307-A357 WeakPolarHBondContact O-CB 3.47Å
308	D	84.8	Confident	87	Confident	26 Å²	26	17.5 Å²	17.5	14%	0.139	8%	0.083	C	C	.	.			trans	-97.1	79.4	-179.7	-166.9	-10	0	0	0	111.4	Y278 L303 A306 H310 G311 C312	Y278-D308 WeakPolarHBondContact CE2-OD2 3.22Å; Y278-D308 PolarHBondContact OH-OD2 3.17Å; L303-D308 PolarHBondContact O-N 3.15Å; A306-D308 VanDerWaalsContact C-N 3.28Å; A306-D308 PolarHBondContact O-N 2.71Å; D308-H310 PolarHBondContact O-N 3Å; D308-H310 PolarHBondContact OD1-N 2.81Å; D308-G311 PolarHBondContact O-N 2.95Å; D308-G311 PolarHBondContact OD1-N 3.03Å; D308-C312 PolarHBondContact O-N 3.29Å; D308-C312 PolarHBondContact O-SG 3.1Å
309	I	82	Confident	86.6	Confident	10 Å²	10	17 Å²	17	5%	0.051	8%	0.079	C	C	.	.	H	α-helix	trans	-58.3	-39.2	178.7	-61.4	154.5	0	0	0	110.9	G307 C312 L313 S353 A357 F383 L391	G307-I309 PolarHBondContact O-N 3.28Å; I309-C312 WeakPolarHBondContact O-CB 3.44Å; I309-C312 PolarHBondContact O-N 3.05Å; I309-L313 HydrophobicContact CG2-CD1 4.15Å; I309-L313 HydrophobicContact CG2-CG 4.36Å; I309-L313 WeakPolarHBondContact O-CG 3.33Å; I309-L313 PolarHBondContact O-N 3.31Å; I309-S353 WeakPolarHBondContact CG1-OG 3.06Å; I309-A357 HydrophobicContact CD1-CB 3.29Å; I309-A357 HydrophobicContact CG1-CB 3.71Å; I309-F383 HydrophobicContact CG2-CE1 4.38Å; I309-L391 HydrophobicContact CD1-CD2 3.49Å; I309-L391 VanDerWaalsContact CD1-CD2 3.49Å; I309-L391 HydrophobicContact CG1-CD2 4.46Å
310	H	81.9	Confident	86.1	Confident	64 Å²	64	18.6 Å²	18.6	30%	0.296	9%	0.087	S	C	.	.	H	α-helix	trans	-64	-45.4	179.8	179.5	-30.2	0	0	0	110.1	D308 C312 L313 R314 F445	D308-H310 PolarHBondContact O-N 3Å; D308-H310 PolarHBondContact OD1-N 2.81Å; H310-C312 VanDerWaalsContact C-N 3.31Å; H310-C312 PolarHBondContact O-N 3.46Å; H310-L313 PolarHBondContact O-N 3.17Å; H310-R314 PolarHBondContact CE1-NH2 2.86Å; H310-R314 WeakPolarHBondContact O-CB 3.17Å; H310-R314 PolarHBondContact O-N 3Å; H310-F445 AromaticContact CD2-CE2 3.69Å; H310-F445 AromaticContact CD2-CZ 3.64Å; H310-F445 AromaticContact CE1-CE1 3.54Å; H310-F445 AromaticContact CE1-CE2 3.13Å; H310-F445 WeakPolarHBondContact CE1-CE2 3.42Å; H310-F445 AromaticContact CE1-CZ 2.88Å; H310-F445 WeakPolarHBondContact CE1-CZ 3.48Å; H310-F445 AromaticContact CG-CE2 3.64Å; H310-F445 AromaticContact ND1-CE2 3.3Å; H310-F445 VanDerWaalsContact ND1-CE2 3.3Å; H310-F445 WeakPolarHBondContact ND1-CE2 3.43Å; H310-F445 AromaticContact ND1-CZ 3.59Å; H310-F445 AromaticContact NE2-CE1 3.82Å; H310-F445 AromaticContact NE2-CE2 3.43Å; H310-F445 WeakPolarHBondContact NE2-CE2 3.36Å; H310-F445 AromaticContact NE2-CZ 2.94Å; H310-F445 WeakPolarHBondContact NE2-CZ 3.45Å
311	G	84.4	Confident	85.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.7	-45.6	173.4	0	0	0	0	0	111.9	L303 D308 R314 A315	L303-G311 WeakPolarHBondContact CD1-O 3.14Å; D308-G311 PolarHBondContact O-N 2.95Å; D308-G311 PolarHBondContact OD1-N 3.03Å; G311-R314 PolarHBondContact O-N 2.98Å; G311-A315 WeakPolarHBondContact O-CB 3.27Å; G311-A315 PolarHBondContact O-N 2.94Å
312	C	85.6	Confident	84.1	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-49.9	177.5	-66.4	0	0	0	0	112.5	I300 A304 D308 I309 H310 A315 L316	I300-C312 HydrophobicContact CG2-CB 4.27Å; I300-C312 PolarHBondContact O-SG 3.41Å; A304-C312 VanDerWaalsContact CA-SG 3.56Å; A304-C312 PolarHBondContact N-SG 3.12Å; D308-C312 PolarHBondContact O-N 3.29Å; D308-C312 PolarHBondContact O-SG 3.1Å; I309-C312 WeakPolarHBondContact O-CB 3.44Å; I309-C312 PolarHBondContact O-N 3.05Å; H310-C312 VanDerWaalsContact C-N 3.31Å; H310-C312 PolarHBondContact O-N 3.46Å; C312-A315 PolarHBondContact O-N 3.29Å; C312-L316 PolarHBondContact O-N 3.5Å
313	L	85.4	Confident	82.3	Confident	8 Å²	8	31 Å²	31	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-45.5	180	-69.7	177.2	0	0	0	111.1	I309 H310 A315 L316 D317 F383 L395 F445	I309-L313 HydrophobicContact CG2-CD1 4.15Å; I309-L313 HydrophobicContact CG2-CG 4.36Å; I309-L313 WeakPolarHBondContact O-CG 3.33Å; I309-L313 PolarHBondContact O-N 3.31Å; H310-L313 PolarHBondContact O-N 3.17Å; L313-A315 VanDerWaalsContact C-N 3.28Å; L313-A315 PolarHBondContact O-N 3.03Å; L313-L316 CarbonylContact O-C 3.55Å; L313-L316 WeakPolarHBondContact O-CA 3.38Å; L313-L316 VanDerWaalsContact O-CB 3.3Å; L313-L316 WeakPolarHBondContact O-CB 3.45Å; L313-L316 PolarHBondContact O-N 3.01Å; L313-D317 PolarHBondContact O-N 2.92Å; L313-F383 HydrophobicContact CD1-CZ 4.03Å; L313-L395 HydrophobicContact CD2-CD2 3.86Å; L313-F445 HydrophobicContact CB-CD2 4.2Å
314	R	85.6	Confident	80	Confident	112 Å²	112	37.3 Å²	37.3	42%	0.423	19%	0.194	S	C	.	.	H	α-helix	trans	-59.7	-38.6	176	-172.8	-173.9	-68.2	-179.4	-0.1	112.4	W281 H310 G311 L316 M318	W281-R314 HydrophobicContact CH2-CB 4.39Å; W281-R314 HydrophobicContact CH2-CG 4.36Å; H310-R314 PolarHBondContact CE1-NH2 2.86Å; H310-R314 WeakPolarHBondContact O-CB 3.17Å; H310-R314 PolarHBondContact O-N 3Å; G311-R314 PolarHBondContact O-N 2.98Å; R314-L316 VanDerWaalsContact C-N 3.34Å; R314-M318 WeakPolarHBondContact O-CG 3.26Å; R314-M318 PolarHBondContact O-N 3.15Å
315	A	86.1	Confident	77.8	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-36.9	174.9	0	0	0	0	0	112	W281 L299 I300 L303 G311 C312 L313 M318 M319	W281-A315 HydrophobicContact CH2-CB 3.77Å; W281-A315 HydrophobicContact CZ2-CB 3.67Å; L299-A315 HydrophobicContact CD2-CB 3.95Å; L299-A315 HydrophobicContact CG-CB 4.33Å; I300-A315 HydrophobicContact CG1-CB 3.78Å; L303-A315 HydrophobicContact CD1-CB 4.23Å; G311-A315 WeakPolarHBondContact O-CB 3.27Å; G311-A315 PolarHBondContact O-N 2.94Å; C312-A315 PolarHBondContact O-N 3.29Å; L313-A315 VanDerWaalsContact C-N 3.28Å; L313-A315 PolarHBondContact O-N 3.03Å; A315-M318 PolarHBondContact O-N 3Å; A315-M319 WeakPolarHBondContact O-CB 3.44Å; A315-M319 PolarHBondContact O-N 3.23Å
316	L	86	Confident	75.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-45.7	173.6	-174.4	72.3	0	0	0	111.8	I300 C312 L313 R314 M318 M319 L320 P342 L399 Y442	I300-L316 HydrophobicContact CD1-CB 4.49Å; I300-L316 HydrophobicContact CD1-CD1 4.46Å; C312-L316 PolarHBondContact O-N 3.5Å; L313-L316 CarbonylContact O-C 3.55Å; L313-L316 WeakPolarHBondContact O-CA 3.38Å; L313-L316 VanDerWaalsContact O-CB 3.3Å; L313-L316 WeakPolarHBondContact O-CB 3.45Å; L313-L316 PolarHBondContact O-N 3.01Å; R314-L316 VanDerWaalsContact C-N 3.34Å; L316-M318 VanDerWaalsContact C-N 3.27Å; L316-M318 PolarHBondContact O-N 3.34Å; L316-M319 WeakPolarHBondContact O-CB 3.34Å; L316-M319 PolarHBondContact O-N 3.31Å; L316-M319 VanDerWaalsContact O-N 3.14Å; L316-L320 HydrophobicContact CG-CD1 4.23Å; L316-L320 WeakPolarHBondContact O-CG 3.5Å; L316-L320 PolarHBondContact O-N 2.96Å; L316-P342 HydrophobicContact CD1-CB 4.35Å; L316-L399 HydrophobicContact CD2-CD2 3.34Å; L316-Y442 HydrophobicContact CD2-CE2 4.12Å
317	D	83.6	Confident	72.8	Confident	26 Å²	26	60.8 Å²	60.8	14%	0.139	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-40.8	174.9	-63.8	-69.6	0	0	0	111.5	L313 L320 A321 Y442 F445	L313-D317 PolarHBondContact O-N 2.92Å; D317-L320 CarbonylContact O-C 3.49Å; D317-L320 PolarHBondContact O-N 2.88Å; D317-A321 WeakPolarHBondContact O-CB 3.34Å; D317-A321 PolarHBondContact O-N 3.4Å; D317-Y442 VanDerWaalsContact OD1-CE1 3.3Å; D317-Y442 WeakPolarHBondContact OD1-CE1 3.43Å; D317-Y442 VanDerWaalsContact OD1-CZ 3.31Å; D317-Y442 PolarHBondContact OD1-OH 3.37Å; D317-F445 PolarHBondContact OD1-N 2.95Å; D317-F445 VanDerWaalsContact OD1-N 3.07Å; D317-F445 WeakPolarHBondContact OD2-CB 3.25Å; D317-F445 PolarHBondContact OD2-N 3.14Å
318	M	83.7	Confident	70.3	Confident	61 Å²	61	70.3 Å²	70.3	30%	0.3	35%	0.348	S	S	.	.	H	α-helix	trans	-68	-36.4	177.1	-73.5	-154.9	-65.9	0	0	112.2	W281 T285 Y296 R314 A315 L316 L320 A321 T322	W281-M318 HydrophobicContact CH2-CE 4.01Å; W281-M318 HydrophobicContact CZ2-CE 2.98Å; W281-M318 VanDerWaalsContact NE1-CE 3.3Å; T285-M318 HydrophobicContact CG2-CE 4.26Å; Y296-M318 HydrophobicContact CE1-CB 4.14Å; Y296-M318 PolarHBondContact OH-O 3.43Å; R314-M318 WeakPolarHBondContact O-CG 3.26Å; R314-M318 PolarHBondContact O-N 3.15Å; A315-M318 PolarHBondContact O-N 3Å; L316-M318 VanDerWaalsContact C-N 3.27Å; L316-M318 PolarHBondContact O-N 3.34Å; M318-L320 VanDerWaalsContact C-N 3.34Å; M318-A321 PolarHBondContact O-N 2.81Å; M318-T322 WeakPolarHBondContact O-CG2 3.11Å; M318-T322 PolarHBondContact O-N 2.99Å; M318-T322 VanDerWaalsContact O-N 3.16Å
319	M	84.3	Confident	68	Low	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-46.9	172	-180	177.3	161.7	0	0	110.7	Q293 Y296 A315 L316 T322 L340 V341 T346	Q293-M319 HydrophobicContact CB-CE 4.45Å; Q293-M319 HydrophobicContact CG-CE 3.88Å; Y296-M319 HydrophobicContact CD1-CB 3.86Å; Y296-M319 HydrophobicContact CD2-CB 3.97Å; Y296-M319 HydrophobicContact CD2-CG 3.96Å; Y296-M319 HydrophobicContact CE1-CB 4.08Å; Y296-M319 HydrophobicContact CE2-CB 4.17Å; Y296-M319 HydrophobicContact CE2-CG 4.44Å; Y296-M319 HydrophobicContact CG-CB 3.8Å; Y296-M319 HydrophobicContact CG-CG 4.02Å; Y296-M319 HydrophobicContact CG-SD 4.31Å; A315-M319 WeakPolarHBondContact O-CB 3.44Å; A315-M319 PolarHBondContact O-N 3.23Å; L316-M319 WeakPolarHBondContact O-CB 3.34Å; L316-M319 PolarHBondContact O-N 3.31Å; L316-M319 VanDerWaalsContact O-N 3.14Å; M319-T322 PolarHBondContact O-OG1 3.38Å; M319-L340 HydrophobicContact CE-CB 4.15Å; M319-L340 HydrophobicContact CG-CB 4.11Å; M319-L340 HydrophobicContact CG-CD1 4.37Å; M319-V341 WeakPolarHBondContact CE-O 3.42Å; M319-T346 HydrophobicContact CE-CG2 4.38Å; M319-T346 HydrophobicContact SD-CG2 4.34Å
320	L	81.4	Confident	65.6	Low	34 Å²	34	83.5 Å²	83.5	18%	0.178	42%	0.42	C	S	.	.	H	α-helix	trans	-69.4	-36	177.8	-64.1	172.3	0	0	0	112.5	L316 D317 M318 T322 E323 L402 Y442	L316-L320 HydrophobicContact CG-CD1 4.23Å; L316-L320 WeakPolarHBondContact O-CG 3.5Å; L316-L320 PolarHBondContact O-N 2.96Å; D317-L320 CarbonylContact O-C 3.49Å; D317-L320 PolarHBondContact O-N 2.88Å; M318-L320 VanDerWaalsContact C-N 3.34Å; L320-T322 PolarHBondContact O-N 2.86Å; L320-E323 WeakPolarHBondContact O-CG 3.38Å; L320-L402 HydrophobicContact CD1-CD1 4.14Å; L320-Y442 HydrophobicContact CD1-CD1 4.11Å; L320-Y442 HydrophobicContact CD1-CE1 3.73Å; L320-Y442 HydrophobicContact CD1-CE2 4.5Å
321	A	76.6	Confident	63	Low	61 Å²	61	84.3 Å²	84.3	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-83.2	-5.2	-176.1	0	0	0	0	0	114.8	D317 M318 E323	D317-A321 WeakPolarHBondContact O-CB 3.34Å; D317-A321 PolarHBondContact O-N 3.4Å; M318-A321 PolarHBondContact O-N 2.81Å; A321-E323 PolarHBondContact O-N 2.74Å
322	T	64.7	Low	60.3	Low	69 Å²	69	89.9 Å²	89.9	42%	0.423	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-59.4	-1.4	175	56.2	0	0	0	0	114.1	Y296 M318 M319 L320 N324 L340	Y296-T322 HydrophobicContact CE2-CG2 4.11Å; Y296-T322 WeakPolarHBondContact OH-CG2 3.48Å; M318-T322 WeakPolarHBondContact O-CG2 3.11Å; M318-T322 PolarHBondContact O-N 2.99Å; M318-T322 VanDerWaalsContact O-N 3.16Å; M319-T322 PolarHBondContact O-OG1 3.38Å; L320-T322 PolarHBondContact O-N 2.86Å; T322-N324 VanDerWaalsContact C-N 3.28Å; T322-N324 PolarHBondContact O-N 3.37Å; T322-N324 VanDerWaalsContact O-N 3.14Å; T322-L340 HydrophobicContact CG2-CD1 4.49Å; T322-L340 WeakPolarHBondContact OG1-CD1 3.25Å
323	E	53.6	Low	57.6	Low	147 Å²	147	96.8 Å²	96.8	69%	0.687	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-50.7	-19.9	174.4	-74.4	172.8	166.7	0	0	117.8	L320 A321	L320-E323 WeakPolarHBondContact O-CG 3.38Å; A321-E323 PolarHBondContact O-N 2.74Å
324	N	42.6	Very low	54.8	Low	131 Å²	131	99.9 Å²	99.9	70%	0.701	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-123.4	3.6	-155.7	-70.9	-46	0	0	0	119	T322	T322-N324 VanDerWaalsContact C-N 3.28Å; T322-N324 PolarHBondContact O-N 3.37Å; T322-N324 VanDerWaalsContact O-N 3.14Å
325	S	42.8	Very low	52	Low	119 Å²	119	100.4 Å²	100.4	83%	0.832	58%	0.58	S	S	*	*	S	Bend	trans	-104.7	-8.4	-171.3	-113.5	0	0	0	0	118.3
326	E	37.5	Very low	49.5	Very low	180 Å²	180	110.3 Å²	110.3	84%	0.841	62%	0.623	S	S	*	*	S	Bend	trans	-98.1	16.6	-175.3	-67.3	-167.7	168.4	0	0	115.9
327	R	32.6	Very low	46.8	Very low	223 Å²	223	116.5 Å²	116.5	84%	0.842	66%	0.656	S	S	*	*	S	Bend	trans	-93.7	6.6	-175.3	-79.9	-171.9	-180	174.2	3.2	117.4
328	F	32.3	Very low	45.1	Very low	206 Å²	206	124.6 Å²	124.6	90%	0.904	69%	0.69	S	S	*	*	S	Bend	trans	-132.2	57.7	-179.4	-78.1	-81.3	0	0	0	114.3
329	S	36	Very low	43.9	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	71%	0.713	S	S	*	*	S	Bend	trans	-162.7	94.7	158.4	37.6	0	0	0	0	111.4
330	Q	30.8	Very low	43.3	Very low	202 Å²	202	133.6 Å²	133.6	94%	0.944	72%	0.724	S	S	*	*			trans	20.6	111	152.7	-66.1	-179.4	-14.5	0	0	119.1
331	G	26.5	Very low	43	Very low	82 Å²	82	134.1 Å²	134.1	85%	0.845	73%	0.729	S	S	*	*				68.8	73.9	128.1	0	0	0	0	0	118
332	S	29.6	Very low	43.1	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	71%	0.705	S	S	*	*			trans	-160.3	123.9	143.6	-163.6	0	0	0	0	112.5
333	V	29	Very low	44	Very low	145 Å²	145	129.4 Å²	129.4	88%	0.879	69%	0.693	S	S	*	*			trans	-10.5	117.4	159.2	-172.6	0	0	0	0	117.2
334	G	26.2	Very low	45.5	Very low	73 Å²	73	123.1 Å²	123.1	75%	0.753	67%	0.665	S	S	*	*			trans	84.8	58.1	133.6	0	0	0	0	0	119.9
335	C	25.9	Very low	47.6	Very low	122 Å²	122	119.8 Å²	119.8	82%	0.824	64%	0.644	S	S	*	*			trans	-118.2	119.1	158.5	-86.6	0	0	0	0	110.3	N337	C335-N337 PolarHBondContact O-N 3.45Å; C335-N337 VanDerWaalsContact O-N 3.16Å
336	K	33.4	Very low	49.6	Very low	208 Å²	208	114.1 Å²	114.1	90%	0.904	61%	0.605	S	S	*	*			trans	-62.9	112.4	173	-66.8	175.6	179.1	176.7	0	108.2	K338	K336-K338 PolarHBondContact O-N 3.31Å
337	N	29.5	Very low	51.9	Low	130 Å²	130	105.6 Å²	105.6	70%	0.695	57%	0.565	S	S	*	*			trans	-52	108.5	173.9	-71.5	-6.1	0	0	0	110.3	C335	C335-N337 PolarHBondContact O-N 3.45Å; C335-N337 VanDerWaalsContact O-N 3.16Å
338	K	49.2	Very low	54.5	Low	196 Å²	196	95.2 Å²	95.2	85%	0.852	53%	0.526	S	S	*	.			trans	-91	105.9	176.7	-147.7	176.6	-174.4	-178.1	0	107.2	K336	K336-K338 PolarHBondContact O-N 3.31Å
339	W	56.5	Low	57.1	Low	207 Å²	207	85.4 Å²	85.4	78%	0.784	48%	0.483	S	S	*	.			trans	-65.4	133.7	-177.2	-61.9	20	0	0	0	108.7	V341	W339-V341 HydrophobicContact CB-CG2 4.09Å; W339-V341 PolarHBondContact O-N 3.18Å; W339-V341 VanDerWaalsContact O-N 3.11Å
340	L	72.3	Confident	59.5	Low	43 Å²	43	80.2 Å²	80.2	23%	0.225	45%	0.447	C	S	.	.			trans	-77.2	97	172.4	-69.9	179.5	0	0	0	108.2	Q293 Y296 M319 T322	Q293-L340 HydrophobicContact CB-CD2 3.77Å; Y296-L340 HydrophobicContact CD2-CD1 4.41Å; Y296-L340 HydrophobicContact CE2-CD1 4.31Å; M319-L340 HydrophobicContact CE-CB 4.15Å; M319-L340 HydrophobicContact CG-CB 4.11Å; M319-L340 HydrophobicContact CG-CD1 4.37Å; T322-L340 HydrophobicContact CG2-CD1 4.49Å; T322-L340 WeakPolarHBondContact OG1-CD1 3.25Å
341	V	74.8	Confident	62.2	Low	45 Å²	45	70.6 Å²	70.6	27%	0.273	40%	0.402	S	S	.	.			trans	-99.1	135	179.4	-177.4	0	0	0	0	108.5	Q293 M319 W339 D343 L402	Q293-V341 PolarHBondContact NE2-O 3Å; M319-V341 WeakPolarHBondContact CE-O 3.42Å; W339-V341 HydrophobicContact CB-CG2 4.09Å; W339-V341 PolarHBondContact O-N 3.18Å; W339-V341 VanDerWaalsContact O-N 3.11Å; V341-D343 PolarHBondContact O-N 3.17Å; V341-L402 VanDerWaalsContact CG1-O 3.28Å; V341-L402 WeakPolarHBondContact CG1-O 3.38Å
342	P	79.9	Confident	65.1	Low	3 Å²	3	67.2 Å²	67.2	2%	0.019	37%	0.365	C	S	.	.			trans	-60.1	128.8	171.4	22.3	-29.2	0	0	0	110.1	L316 T346 L402 S403	L316-P342 HydrophobicContact CD1-CB 4.35Å; P342-T346 VanDerWaalsContact CA-OG1 3.3Å; P342-T346 WeakPolarHBondContact CA-OG1 3.42Å; P342-T346 HydrophobicContact CB-CG2 4.16Å; P342-T346 WeakPolarHBondContact CB-OG1 3.11Å; P342-L402 HydrophobicContact CG-CB 3.51Å; P342-S403 WeakPolarHBondContact O-CA 3.42Å; P342-S403 WeakPolarHBondContact O-CB 3.43Å
343	D	83.3	Confident	67.8	Low	29 Å²	29	61.7 Å²	61.7	16%	0.155	33%	0.326	C	S	.	.			trans	-95.5	176.7	176	56.8	21.3	0	0	0	111.4	Q293 N297 V341 F345 T346 I347	Q293-D343 VanDerWaalsContact NE2-CG 3.3Å; Q293-D343 PolarHBondContact NE2-OD2 3.17Å; N297-D343 PolarHBondContact ND2-OD1 3.46Å; N297-D343 PolarHBondContact ND2-OD2 2.83Å; V341-D343 PolarHBondContact O-N 3.17Å; D343-F345 PolarHBondContact O-N 3.29Å; D343-F345 WeakPolarHBondContact OD1-CA 3.08Å; D343-F345 VanDerWaalsContact OD1-CB 3.3Å; D343-F345 WeakPolarHBondContact OD1-CB 3.19Å; D343-F345 PolarHBondContact OD1-N 2.93Å; D343-T346 PolarHBondContact N-OG1 3.08Å; D343-T346 VanDerWaalsContact N-OG1 3.11Å; D343-T346 PolarHBondContact O-N 2.85Å; D343-T346 PolarHBondContact O-OG1 3.45Å; D343-T346 WeakPolarHBondContact OD1-CG2 3.4Å; D343-T346 PolarHBondContact OD1-N 2.72Å; D343-I347 PolarHBondContact O-N 3.27Å
344	S	84.5	Confident	70.4	Confident	14 Å²	14	54.8 Å²	54.8	10%	0.098	29%	0.285	C	S	.	.	H	α-helix	trans	-53.1	-29	173.1	-175.3	0	0	0	0	113.6	T348 D406 A408 N411	S344-T348 PolarHBondContact O-N 3.3Å; S344-T348 PolarHBondContact O-OG1 2.98Å; S344-D406 WeakPolarHBondContact CB-O 3.44Å; S344-D406 PolarHBondContact N-OD2 3.01Å; S344-A408 WeakPolarHBondContact OG-CB 3.24Å; S344-A408 PolarHBondContact OG-N 2.69Å; S344-A408 VanDerWaalsContact OG-N 3.11Å; S344-N411 PolarHBondContact OG-ND2 2.9Å
345	F	86.1	Confident	73.1	Confident	62 Å²	62	52.3 Å²	52.3	27%	0.272	25%	0.253	S	S	.	.	H	α-helix	trans	-73.3	-37.1	177.5	-175.3	-84.4	0	0	0	112.8	L84 N297 L301 D343 I347 T348 S349	L84-F345 HydrophobicContact CB-CE2 4.49Å; L84-F345 HydrophobicContact CD1-CD2 4.43Å; L84-F345 HydrophobicContact CD1-CE2 3.88Å; N297-F345 HydrophobicContact CB-CD1 3.66Å; N297-F345 HydrophobicContact CB-CE1 3.76Å; L301-F345 HydrophobicContact CD2-CZ 4.12Å; D343-F345 PolarHBondContact O-N 3.29Å; D343-F345 WeakPolarHBondContact OD1-CA 3.08Å; D343-F345 VanDerWaalsContact OD1-CB 3.3Å; D343-F345 WeakPolarHBondContact OD1-CB 3.19Å; D343-F345 PolarHBondContact OD1-N 2.93Å; F345-I347 VanDerWaalsContact C-N 3.34Å; F345-T348 PolarHBondContact O-N 3.09Å; F345-S349 WeakPolarHBondContact CD1-OG 3.49Å; F345-S349 VanDerWaalsContact CE1-OG 3.22Å; F345-S349 WeakPolarHBondContact CE1-OG 3.45Å; F345-S349 WeakPolarHBondContact O-CB 3.26Å; F345-S349 PolarHBondContact O-N 3.32Å; F345-S349 PolarHBondContact O-OG 2.56Å
346	T	85.5	Confident	75.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-45.5	171.6	58.3	0	0	0	0	110.7	N297 M319 P342 D343 T348 S349 V350	N297-T346 WeakPolarHBondContact OD1-CG2 3.46Å; M319-T346 HydrophobicContact CE-CG2 4.38Å; M319-T346 HydrophobicContact SD-CG2 4.34Å; P342-T346 VanDerWaalsContact CA-OG1 3.3Å; P342-T346 WeakPolarHBondContact CA-OG1 3.42Å; P342-T346 HydrophobicContact CB-CG2 4.16Å; P342-T346 WeakPolarHBondContact CB-OG1 3.11Å; D343-T346 PolarHBondContact N-OG1 3.08Å; D343-T346 VanDerWaalsContact N-OG1 3.11Å; D343-T346 PolarHBondContact O-N 2.85Å; D343-T346 PolarHBondContact O-OG1 3.45Å; D343-T346 WeakPolarHBondContact OD1-CG2 3.4Å; D343-T346 PolarHBondContact OD1-N 2.72Å; T346-T348 PolarHBondContact O-N 3.27Å; T346-S349 PolarHBondContact O-N 2.57Å; T346-V350 WeakPolarHBondContact O-CG2 3.41Å; T346-V350 PolarHBondContact O-N 3.44Å
347	I	86.2	Confident	78.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-49.8	176.7	-61.2	-178.3	0	0	0	109.9	D343 F345 S349 V350 L351 L399 V400 S403	D343-I347 PolarHBondContact O-N 3.27Å; F345-I347 VanDerWaalsContact C-N 3.34Å; I347-S349 VanDerWaalsContact C-N 3.3Å; I347-S349 PolarHBondContact O-N 3.46Å; I347-V350 PolarHBondContact O-N 3.43Å; I347-L351 HydrophobicContact CG2-CD1 3.71Å; I347-L351 HydrophobicContact CG2-CG 4.22Å; I347-L351 WeakPolarHBondContact O-CB 3.37Å; I347-L351 WeakPolarHBondContact O-CG 2.89Å; I347-L351 PolarHBondContact O-N 3.37Å; I347-L399 HydrophobicContact CD1-CB 4.45Å; I347-L399 HydrophobicContact CG1-CB 4.06Å; I347-V400 HydrophobicContact CD1-CG2 4.45Å; I347-S403 WeakPolarHBondContact CD1-OG 3.5Å
348	T	86.4	Confident	80.5	Confident	6 Å²	6	31.3 Å²	31.3	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-55.8	-47	176.3	-61.3	0	0	0	0	111	L84 S344 F345 T346 S352 N411 L414	L84-T348 HydrophobicContact CD1-CG2 3.84Å; L84-T348 HydrophobicContact CD2-CG2 4.31Å; S344-T348 PolarHBondContact O-N 3.3Å; S344-T348 PolarHBondContact O-OG1 2.98Å; F345-T348 PolarHBondContact O-N 3.09Å; T346-T348 PolarHBondContact O-N 3.27Å; T348-S352 WeakPolarHBondContact O-CB 3.32Å; T348-S352 PolarHBondContact O-N 3.5Å; T348-S352 PolarHBondContact O-OG 3.25Å; T348-N411 PolarHBondContact OG1-OD1 3.36Å; T348-L414 HydrophobicContact CG2-CD2 4.13Å; T348-L414 WeakPolarHBondContact O-CD2 3.05Å
349	S	87.3	Confident	81.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-48.1	-177.1	-60.5	0	0	0	0	110.9	A304 F345 T346 I347 S352 S353	A304-S349 WeakPolarHBondContact CB-O 3.44Å; F345-S349 WeakPolarHBondContact CD1-OG 3.49Å; F345-S349 VanDerWaalsContact CE1-OG 3.22Å; F345-S349 WeakPolarHBondContact CE1-OG 3.45Å; F345-S349 WeakPolarHBondContact O-CB 3.26Å; F345-S349 PolarHBondContact O-N 3.32Å; F345-S349 PolarHBondContact O-OG 2.56Å; T346-S349 PolarHBondContact O-N 2.57Å; I347-S349 VanDerWaalsContact C-N 3.3Å; I347-S349 PolarHBondContact O-N 3.46Å; S349-S352 PolarHBondContact O-N 3.02Å; S349-S352 PolarHBondContact O-OG 3.04Å; S349-S353 PolarHBondContact O-N 2.75Å
350	V	87.1	Confident	82.9	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.3	-46.8	179	178.2	0	0	0	0	111.3	I300 T346 I347 S352 S353 L395 L399	I300-V350 HydrophobicContact CG2-CG2 3.66Å; T346-V350 WeakPolarHBondContact O-CG2 3.41Å; T346-V350 PolarHBondContact O-N 3.44Å; I347-V350 PolarHBondContact O-N 3.43Å; V350-S352 PolarHBondContact O-N 3.48Å; V350-S353 VanDerWaalsContact O-CB 3.27Å; V350-S353 WeakPolarHBondContact O-CB 3.38Å; V350-S353 PolarHBondContact O-N 3.35Å; V350-S353 VanDerWaalsContact O-N 3.11Å; V350-S353 PolarHBondContact O-OG 3.23Å; V350-L395 HydrophobicContact CG1-CD1 4.1Å; V350-L395 HydrophobicContact CG1-CD2 4.12Å; V350-L399 HydrophobicContact CB-CD1 3.87Å; V350-L399 HydrophobicContact CG1-CD1 3.83Å; V350-L399 HydrophobicContact CG2-CD1 4.38Å
351	L	87.3	Confident	83	Confident	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-62.6	-32.9	176.7	-70.6	178.6	0	0	0	111.9	I347 S353 I354 L395 W396 L414 L415 I418	I347-L351 HydrophobicContact CG2-CD1 3.71Å; I347-L351 HydrophobicContact CG2-CG 4.22Å; I347-L351 WeakPolarHBondContact O-CB 3.37Å; I347-L351 WeakPolarHBondContact O-CG 2.89Å; I347-L351 PolarHBondContact O-N 3.37Å; L351-S353 PolarHBondContact O-N 2.75Å; L351-I354 HydrophobicContact CD2-CD1 3.94Å; L351-I354 WeakPolarHBondContact O-CB 3.47Å; L351-I354 WeakPolarHBondContact O-CG1 3.23Å; L351-I354 PolarHBondContact O-N 2.87Å; L351-L395 HydrophobicContact CD2-CB 4.06Å; L351-W396 HydrophobicContact CD1-CE3 4.21Å; L351-L414 HydrophobicContact CB-CD2 3.53Å; L351-L414 HydrophobicContact CB-CG 4.2Å; L351-L415 HydrophobicContact CD1-CD2 4.41Å; L351-L415 HydrophobicContact CD1-CG 4.41Å; L351-I418 HydrophobicContact CB-CD1 4.2Å
352	S	86.8	Confident	83	Confident	11 Å²	11	13.5 Å²	13.5	8%	0.077	7%	0.068	C	C	.	.	H	α-helix	trans	-67.4	-17.8	178.9	76.8	0	0	0	0	113	T348 S349 V350 I354 P356	T348-S352 WeakPolarHBondContact O-CB 3.32Å; T348-S352 PolarHBondContact O-N 3.5Å; T348-S352 PolarHBondContact O-OG 3.25Å; S349-S352 PolarHBondContact O-N 3.02Å; S349-S352 PolarHBondContact O-OG 3.04Å; V350-S352 PolarHBondContact O-N 3.48Å; S352-I354 VanDerWaalsContact C-N 3.25Å; S352-I354 PolarHBondContact O-N 3.4Å; S352-P356 WeakPolarHBondContact O-CD 3.16Å
353	S	85.8	Confident	82.7	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.4	176.3	75.3	0	0	0	0	113.6	A304 I309 S349 V350 L351 E355 P356 A357	A304-S353 WeakPolarHBondContact O-CA 3.49Å; I309-S353 WeakPolarHBondContact CG1-OG 3.06Å; S349-S353 PolarHBondContact O-N 2.75Å; V350-S353 VanDerWaalsContact O-CB 3.27Å; V350-S353 WeakPolarHBondContact O-CB 3.38Å; V350-S353 PolarHBondContact O-N 3.35Å; V350-S353 VanDerWaalsContact O-N 3.11Å; V350-S353 PolarHBondContact O-OG 3.23Å; L351-S353 PolarHBondContact O-N 2.75Å; S353-E355 PolarHBondContact O-N 2.9Å; S353-P356 WeakPolarHBondContact O-CD 3.45Å; S353-A357 WeakPolarHBondContact O-CB 3.49Å; S353-A357 PolarHBondContact O-N 2.76Å
354	I	84.9	Confident	82.2	Confident	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-44.5	-170.4	-63.2	168.6	0	0	0	110.7	L351 S352 A357 T358 P388 L391 A392 L395 I418 L421	L351-I354 HydrophobicContact CD2-CD1 3.94Å; L351-I354 WeakPolarHBondContact O-CB 3.47Å; L351-I354 WeakPolarHBondContact O-CG1 3.23Å; L351-I354 PolarHBondContact O-N 2.87Å; S352-I354 VanDerWaalsContact C-N 3.25Å; S352-I354 PolarHBondContact O-N 3.4Å; I354-A357 PolarHBondContact O-N 3.22Å; I354-T358 HydrophobicContact CG2-CG2 4.33Å; I354-T358 WeakPolarHBondContact O-CG2 3.4Å; I354-T358 PolarHBondContact O-N 3.19Å; I354-T358 PolarHBondContact O-OG1 3.31Å; I354-P388 HydrophobicContact CG2-CB 3.87Å; I354-L391 HydrophobicContact CG1-CD2 4.03Å; I354-L391 HydrophobicContact CG1-CG 4.41Å; I354-L391 HydrophobicContact CG2-CD2 4.43Å; I354-A392 HydrophobicContact CD1-CB 3.69Å; I354-L395 HydrophobicContact CD1-CD1 4.01Å; I354-L395 HydrophobicContact CG1-CD1 4.23Å; I354-I418 HydrophobicContact CB-CD1 4.49Å; I354-I418 HydrophobicContact CB-CG1 4.43Å; I354-I418 HydrophobicContact CD1-CD1 3.77Å; I354-I418 HydrophobicContact CD1-CG1 4.49Å; I354-I418 HydrophobicContact CD1-CG2 4.45Å; I354-I418 HydrophobicContact CG2-CG2 3.87Å; I354-L421 HydrophobicContact CG2-CD1 4.5Å
355	E	82.4	Confident	81.4	Confident	20 Å²	20	13.9 Å²	13.9	9%	0.093	7%	0.068	C	C	.	.	H	α-helix	trans	-65.7	-53.8	-179.2	177.3	167.6	157.5	0	0	112.5	F81 S353 A357 T358 M359 L421	F81-E355 HydrophobicContact CE1-CB 4.26Å; F81-E355 HydrophobicContact CE2-CB 4.01Å; F81-E355 HydrophobicContact CE2-CG 3.95Å; F81-E355 WeakPolarHBondContact CE2-OE1 3.47Å; F81-E355 WeakPolarHBondContact CE2-OE2 3.45Å; F81-E355 HydrophobicContact CZ-CB 3.53Å; F81-E355 HydrophobicContact CZ-CG 4.01Å; F81-E355 WeakPolarHBondContact CZ-OE2 3.35Å; S353-E355 PolarHBondContact O-N 2.9Å; E355-A357 PolarHBondContact O-N 2.93Å; E355-T358 PolarHBondContact O-N 3.28Å; E355-T358 VanDerWaalsContact O-N 3.13Å; E355-T358 PolarHBondContact O-OG1 3.4Å; E355-M359 HydrophobicContact CG-CE 3.75Å; E355-M359 WeakPolarHBondContact O-CG 3.42Å; E355-M359 PolarHBondContact O-N 3.37Å; E355-M359 VanDerWaalsContact O-N 3.09Å; E355-M359 WeakPolarHBondContact OE1-CE 3.49Å; E355-L421 HydrophobicContact CB-CD1 4.01Å; E355-L421 HydrophobicContact CB-CD2 4.35Å; E355-L421 HydrophobicContact CG-CD1 4.41Å; E355-L421 HydrophobicContact CG-CD2 3.9Å
356	P	82.8	Confident	80.5	Confident	8 Å²	8	11.2 Å²	11.2	5%	0.052	6%	0.056	C	C	.	.	H	α-helix	trans	-57	-36.6	174.1	-24.9	34.9	0	0	0	112.9	F269 S352 S353 M359 K360	F269-P356 HydrophobicContact CE1-CB 4.2Å; F269-P356 WeakPolarHBondContact CE1-O 3.23Å; F269-P356 WeakPolarHBondContact CZ-O 3.35Å; S352-P356 WeakPolarHBondContact O-CD 3.16Å; S353-P356 WeakPolarHBondContact O-CD 3.45Å; P356-M359 PolarHBondContact O-N 2.92Å; P356-K360 PolarHBondContact O-N 3.4Å
357	A	81.7	Confident	79.7	Confident	3 Å²	3	12.9 Å²	12.9	3%	0.025	6%	0.064	C	C	.	.	H	α-helix	trans	-65.8	-40.2	176.7	0	0	0	0	0	112.9	G307 I309 S353 I354 E355 M359 K360 R361	G307-A357 WeakPolarHBondContact O-CB 3.47Å; I309-A357 HydrophobicContact CD1-CB 3.29Å; I309-A357 HydrophobicContact CG1-CB 3.71Å; S353-A357 WeakPolarHBondContact O-CB 3.49Å; S353-A357 PolarHBondContact O-N 2.76Å; I354-A357 PolarHBondContact O-N 3.22Å; E355-A357 PolarHBondContact O-N 2.93Å; A357-M359 VanDerWaalsContact C-N 3.3Å; A357-M359 PolarHBondContact O-N 3.47Å; A357-K360 PolarHBondContact O-N 2.86Å; A357-R361 WeakPolarHBondContact O-CB 3.34Å; A357-R361 VanDerWaalsContact O-CG 3.29Å; A357-R361 WeakPolarHBondContact O-CG 3.47Å; A357-R361 PolarHBondContact O-N 3.28Å
358	T	79.4	Confident	78.8	Confident	9 Å²	9	19.5 Å²	19.5	6%	0.055	9%	0.089	C	C	.	.	H	α-helix	trans	-63.2	-38.2	173.9	59.4	0	0	0	0	111.5	I354 E355 R361 N362 P388 L421	I354-T358 HydrophobicContact CG2-CG2 4.33Å; I354-T358 WeakPolarHBondContact O-CG2 3.4Å; I354-T358 PolarHBondContact O-N 3.19Å; I354-T358 PolarHBondContact O-OG1 3.31Å; E355-T358 PolarHBondContact O-N 3.28Å; E355-T358 VanDerWaalsContact O-N 3.13Å; E355-T358 PolarHBondContact O-OG1 3.4Å; T358-R361 PolarHBondContact O-N 2.92Å; T358-N362 WeakPolarHBondContact O-CB 3.45Å; T358-N362 PolarHBondContact O-N 2.88Å; T358-N362 PolarHBondContact O-ND2 2.92Å; T358-P388 HydrophobicContact CG2-CB 3.72Å; T358-P388 HydrophobicContact CG2-CG 3.55Å; T358-L421 HydrophobicContact CG2-CD1 4.5Å
359	M	77.1	Confident	77.8	Confident	33 Å²	33	23.2 Å²	23.2	16%	0.163	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-40.8	175.1	-62.9	-159.9	-164.5	0	0	112.2	F228 I235 F269 E355 P356 A357 N362 L363	F228-M359 HydrophobicContact CE2-SD 3.61Å; F228-M359 HydrophobicContact CZ-CE 3.81Å; F228-M359 HydrophobicContact CZ-SD 3.42Å; F228-M359 WeakPolarHBondContact CZ-SD 3.37Å; I235-M359 HydrophobicContact CD1-SD 4.07Å; I235-M359 HydrophobicContact CG2-CB 4.26Å; I235-M359 HydrophobicContact CG2-SD 4.39Å; F269-M359 HydrophobicContact CE2-CB 4.28Å; F269-M359 HydrophobicContact CZ-CB 4.05Å; E355-M359 HydrophobicContact CG-CE 3.75Å; E355-M359 WeakPolarHBondContact O-CG 3.42Å; E355-M359 PolarHBondContact O-N 3.37Å; E355-M359 VanDerWaalsContact O-N 3.09Å; E355-M359 WeakPolarHBondContact OE1-CE 3.49Å; P356-M359 PolarHBondContact O-N 2.92Å; A357-M359 VanDerWaalsContact C-N 3.3Å; A357-M359 PolarHBondContact O-N 3.47Å; M359-N362 WeakPolarHBondContact O-CB 3.18Å; M359-N362 PolarHBondContact O-N 2.84Å; M359-L363 PolarHBondContact O-N 3.19Å
360	K	79.2	Confident	76.5	Confident	43 Å²	43	26.7 Å²	26.7	19%	0.187	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-46.9	173.6	-173.7	-178.6	175.7	-174.1	0	111.7	F269 P356 A357 N362 L363 E364	F269-K360 HydrophobicContact CB-CD 4.22Å; F269-K360 HydrophobicContact CB-CG 4.07Å; F269-K360 HydrophobicContact CD1-CB 3.87Å; F269-K360 HydrophobicContact CD1-CD 4.1Å; F269-K360 HydrophobicContact CD1-CG 4.08Å; F269-K360 HydrophobicContact CD2-CB 4.15Å; F269-K360 HydrophobicContact CD2-CG 4.37Å; F269-K360 HydrophobicContact CE1-CB 3.96Å; F269-K360 HydrophobicContact CE2-CB 4.24Å; F269-K360 HydrophobicContact CG-CB 3.97Å; F269-K360 HydrophobicContact CG-CD 4.26Å; F269-K360 HydrophobicContact CG-CG 3.92Å; F269-K360 HydrophobicContact CZ-CB 4.14Å; P356-K360 PolarHBondContact O-N 3.4Å; A357-K360 PolarHBondContact O-N 2.86Å; K360-N362 VanDerWaalsContact C-N 3.31Å; K360-N362 PolarHBondContact O-N 2.78Å; K360-L363 WeakPolarHBondContact O-CB 3.2Å; K360-L363 PolarHBondContact O-N 3.28Å; K360-L363 VanDerWaalsContact O-N 3.12Å; K360-E364 WeakPolarHBondContact CE-OE1 3.11Å; K360-E364 WeakPolarHBondContact O-CG 3.27Å; K360-E364 PolarHBondContact O-N 3.42Å
361	R	75.5	Confident	75.1	Confident	25 Å²	25	31.8 Å²	31.8	9%	0.094	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-41.6	175.9	-73.6	177	-171.7	170	4.2	112.2	A357 T358 E364 S365 F383 L386	A357-R361 WeakPolarHBondContact O-CB 3.34Å; A357-R361 VanDerWaalsContact O-CG 3.29Å; A357-R361 WeakPolarHBondContact O-CG 3.47Å; A357-R361 PolarHBondContact O-N 3.28Å; T358-R361 PolarHBondContact O-N 2.92Å; R361-E364 PolarHBondContact O-N 2.7Å; R361-S365 WeakPolarHBondContact O-CB 3.48Å; R361-S365 PolarHBondContact O-N 3.34Å; R361-F383 PolarHBondContact NH1-O 2.92Å; R361-F383 VanDerWaalsContact NH1-O 3.08Å; R361-F383 PolarHBondContact NH2-O 2.88Å; R361-F383 VanDerWaalsContact NH2-O 3.11Å; R361-L386 PolarHBondContact NH1-O 3.38Å
362	N	72.9	Confident	73.3	Confident	15 Å²	15	37.8 Å²	37.8	8%	0.08	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-48	174	-85.8	-59.6	0	0	0	111.4	V238 T358 M359 K360 S365 C366 D424	V238-N362 WeakPolarHBondContact CG2-ND2 3.49Å; T358-N362 WeakPolarHBondContact O-CB 3.45Å; T358-N362 PolarHBondContact O-N 2.88Å; T358-N362 PolarHBondContact O-ND2 2.92Å; M359-N362 WeakPolarHBondContact O-CB 3.18Å; M359-N362 PolarHBondContact O-N 2.84Å; K360-N362 VanDerWaalsContact C-N 3.31Å; K360-N362 PolarHBondContact O-N 2.78Å; N362-S365 PolarHBondContact O-N 3.32Å; N362-C366 PolarHBondContact O-N 2.9Å; N362-C366 PolarHBondContact O-SG 3.13Å; N362-D424 VanDerWaalsContact CG-OD1 3.26Å; N362-D424 PolarHBondContact ND2-OD1 2.87Å; N362-D424 PolarHBondContact ND2-OD2 3.31Å; N362-D424 PolarHBondContact OD1-OD1 3.34Å
363	L	73.7	Confident	71.1	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-46	177.4	-174.5	69.1	0	0	0	112	P236 M264 P266 F269 M359 K360 S365 C366 H367	P236-L363 HydrophobicContact CG-CD1 4.22Å; M264-L363 HydrophobicContact CB-CD1 4.33Å; M264-L363 HydrophobicContact CB-CD2 4.29Å; M264-L363 HydrophobicContact CG-CD2 3.74Å; M264-L363 HydrophobicContact SD-CD2 3.67Å; P266-L363 HydrophobicContact CB-CD2 4.44Å; F269-L363 HydrophobicContact CD2-CD2 4.15Å; M359-L363 PolarHBondContact O-N 3.19Å; K360-L363 WeakPolarHBondContact O-CB 3.2Å; K360-L363 PolarHBondContact O-N 3.28Å; K360-L363 VanDerWaalsContact O-N 3.12Å; L363-S365 VanDerWaalsContact C-N 3.34Å; L363-S365 PolarHBondContact O-N 3.09Å; L363-C366 VanDerWaalsContact O-CB 3.29Å; L363-C366 WeakPolarHBondContact O-CB 3.36Å; L363-C366 PolarHBondContact O-N 2.66Å; L363-C366 VanDerWaalsContact O-N 3.17Å; L363-H367 PolarHBondContact O-N 2.8Å; L363-H367 VanDerWaalsContact O-N 3.1Å; L363-H367 PolarHBondContact O-ND1 3.09Å
364	E	73.1	Confident	68.6	Low	47 Å²	47	50.3 Å²	50.3	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-41.2	175.7	-73	170.2	-177.4	0	0	112.2	P266 K360 R361 C366 H367 R368	P266-E364 HydrophobicContact CB-CG 3.48Å; P266-E364 VanDerWaalsContact CB-CG 3.48Å; P266-E364 HydrophobicContact CG-CG 4.26Å; K360-E364 WeakPolarHBondContact CE-OE1 3.11Å; K360-E364 WeakPolarHBondContact O-CG 3.27Å; K360-E364 PolarHBondContact O-N 3.42Å; R361-E364 PolarHBondContact O-N 2.7Å; E364-C366 VanDerWaalsContact C-N 3.33Å; E364-H367 PolarHBondContact O-N 2.49Å; E364-R368 WeakPolarHBondContact O-CG 3.36Å; E364-R368 PolarHBondContact O-N 2.83Å
365	S	68.8	Low	66.2	Low	7 Å²	7	58 Å²	58	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-36.4	175	-172.7	0	0	0	0	112.2	R361 N362 L363 R369 L426	R361-S365 WeakPolarHBondContact O-CB 3.48Å; R361-S365 PolarHBondContact O-N 3.34Å; N362-S365 PolarHBondContact O-N 3.32Å; L363-S365 VanDerWaalsContact C-N 3.34Å; L363-S365 PolarHBondContact O-N 3.09Å; S365-R369 WeakPolarHBondContact O-CD 3.48Å; S365-R369 WeakPolarHBondContact O-CG 3.36Å; S365-R369 PolarHBondContact O-N 3.37Å; S365-R369 VanDerWaalsContact O-N 3.15Å; S365-L426 WeakPolarHBondContact OG-CD1 3.34Å; S365-L426 WeakPolarHBondContact OG-CD2 3.47Å
366	C	67.5	Low	64	Low	5 Å²	5	61.6 Å²	61.6	3%	0.034	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-47.8	172.5	-56.5	0	0	0	0	111.2	P236 Q257 A261 N362 L363 E364 R369 M370	P236-C366 WeakPolarHBondContact CG-SG 3.2Å; Q257-C366 VanDerWaalsContact CD-SG 3.58Å; Q257-C366 HydrophobicContact CG-CB 4.27Å; Q257-C366 WeakPolarHBondContact CG-SG 3.25Å; Q257-C366 PolarHBondContact NE2-SG 3.17Å; A261-C366 HydrophobicContact CB-CB 3.97Å; N362-C366 PolarHBondContact O-N 2.9Å; N362-C366 PolarHBondContact O-SG 3.13Å; L363-C366 VanDerWaalsContact O-CB 3.29Å; L363-C366 WeakPolarHBondContact O-CB 3.36Å; L363-C366 PolarHBondContact O-N 2.66Å; L363-C366 VanDerWaalsContact O-N 3.17Å; E364-C366 VanDerWaalsContact C-N 3.33Å; C366-R369 PolarHBondContact O-N 2.9Å; C366-M370 WeakPolarHBondContact O-CG 3.29Å; C366-M370 PolarHBondContact O-N 3.39Å
367	H	68.8	Low	61.7	Low	36 Å²	36	65.1 Å²	65.1	17%	0.167	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-48.8	-178.6	-74.9	77.4	0	0	0	111.4	A261 M264 L363 E364 R369 M370 D371	A261-H367 PolarHBondContact O-CE1 3.48Å; M264-H367 PolarHBondContact O-CE1 3.42Å; M264-H367 PolarHBondContact O-NE2 2.84Å; L363-H367 PolarHBondContact O-N 2.8Å; L363-H367 VanDerWaalsContact O-N 3.1Å; L363-H367 PolarHBondContact O-ND1 3.09Å; E364-H367 PolarHBondContact O-N 2.49Å; H367-R369 PolarHBondContact O-N 2.77Å; H367-R369 VanDerWaalsContact O-N 3.12Å; H367-M370 PolarHBondContact O-N 3.33Å; H367-D371 PolarHBondContact O-N 3.06Å; H367-D371 VanDerWaalsContact O-N 3.12Å
368	R	66.9	Low	59.4	Low	139 Å²	139	72.1 Å²	72.1	53%	0.525	38%	0.384	S	S	.	.	H	α-helix	trans	-55.8	-31.4	175.3	-76.5	-173.1	-77.9	158.6	-9.7	113.7	E364	E364-R368 WeakPolarHBondContact O-CG 3.36Å; E364-R368 PolarHBondContact O-N 2.83Å
369	R	65.1	Low	57.3	Low	83 Å²	83	76.1 Å²	76.1	31%	0.313	41%	0.412	S	S	.	.	H	α-helix	trans	-78.5	-21.1	176.6	-71	169.2	-175	-173.8	-0.2	113.8	S365 C366 H367	S365-R369 WeakPolarHBondContact O-CD 3.48Å; S365-R369 WeakPolarHBondContact O-CG 3.36Å; S365-R369 PolarHBondContact O-N 3.37Å; S365-R369 VanDerWaalsContact O-N 3.15Å; C366-R369 PolarHBondContact O-N 2.9Å; H367-R369 PolarHBondContact O-N 2.77Å; H367-R369 VanDerWaalsContact O-N 3.12Å
370	M	58.9	Low	55.4	Low	74 Å²	74	79 Å²	79	37%	0.365	43%	0.428	S	S	.	.	H	α-helix	trans	-86	-32.2	178.2	-69	-173.9	-63.2	0	0	111.5	A261 C366 H367 S372	A261-M370 HydrophobicContact CB-CE 3.69Å; A261-M370 HydrophobicContact CB-SD 4.25Å; C366-M370 WeakPolarHBondContact O-CG 3.29Å; C366-M370 PolarHBondContact O-N 3.39Å; H367-M370 PolarHBondContact O-N 3.33Å; M370-S372 PolarHBondContact O-N 3.15Å; M370-S372 VanDerWaalsContact O-N 3.11Å
371	D	59.2	Low	53.9	Low	107 Å²	107	81.5 Å²	81.5	57%	0.572	44%	0.444	S	S	*	.	S	Bend	trans	-75.6	98.3	175.8	-62.7	-30.9	0	0	0	109.3	H367 S373	H367-D371 PolarHBondContact O-N 3.06Å; H367-D371 VanDerWaalsContact O-N 3.12Å; D371-S373 PolarHBondContact O-N 3.07Å
372	S	48.4	Very low	52.5	Low	127 Å²	127	82.3 Å²	82.3	89%	0.888	45%	0.451	S	S	*	.			trans	-69.2	21.3	-175.7	57.7	0	0	0	0	115	M370	M370-S372 PolarHBondContact O-N 3.15Å; M370-S372 VanDerWaalsContact O-N 3.11Å
373	S	40	Very low	51.4	Low	69 Å²	69	83 Å²	83	48%	0.483	45%	0.454	S	S	.	.			trans	-96	112.6	168.9	71.8	0	0	0	0	108.7	D371 Q375	D371-S373 PolarHBondContact O-N 3.07Å; S373-Q375 PolarHBondContact O-N 3.19Å
374	E	34.8	Very low	50.3	Low	205 Å²	205	85 Å²	85	96%	0.958	46%	0.464	S	S	*	.			trans	-60.3	71.1	160.2	-66.6	-179.2	161.5	0	0	109.4	S376	E374-S376 PolarHBondContact O-N 3.16Å
375	Q	34.4	Very low	49.6	Very low	162 Å²	162	89.3 Å²	89.3	76%	0.757	48%	0.478	S	S	*	.			trans	-88.2	109.7	165.6	-74.8	-174.3	6.5	0	0	106.4	S373	S373-Q375 PolarHBondContact O-N 3.19Å
376	S	34.8	Very low	49.3	Very low	95 Å²	95	91.6 Å²	91.6	66%	0.664	49%	0.49	S	S	*	.			trans	-25.9	133.3	171.9	56.6	0	0	0	0	112.4	E374 N378	E374-S376 PolarHBondContact O-N 3.16Å; S376-N378 VanDerWaalsContact C-N 3.32Å; S376-N378 PolarHBondContact O-N 3.06Å
377	A	36	Very low	49.4	Very low	82 Å²	82	91.6 Å²	91.6	68%	0.678	49%	0.49	S	S	*	.			trans	-47.3	97	167.2	0	0	0	0	0	109.9	S379	A377-S379 WeakPolarHBondContact O-CA 3.49Å; A377-S379 PolarHBondContact O-N 2.96Å
378	N	32.4	Very low	49.8	Very low	151 Å²	151	89.9 Å²	89.9	81%	0.807	48%	0.482	S	S	*	.			trans	-60.3	116.6	165.2	-92.5	-11.6	0	0	0	105.8	S376 N380	S376-N378 VanDerWaalsContact C-N 3.32Å; S376-N378 PolarHBondContact O-N 3.06Å; N378-N380 PolarHBondContact O-N 2.68Å
379	S	36.1	Very low	50.4	Low	92 Å²	92	83.6 Å²	83.6	64%	0.643	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	24	-145.3	38.9	0	0	0	0	114.8	A377	A377-S379 WeakPolarHBondContact O-CA 3.49Å; A377-S379 PolarHBondContact O-N 2.96Å
380	N	36.3	Very low	50.8	Low	93 Å²	93	80.9 Å²	80.9	50%	0.497	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-5.2	-162.9	-74.4	-21.6	0	0	0	117.7	N378 V382 R469	N378-N380 PolarHBondContact O-N 2.68Å; N380-V382 PolarHBondContact O-N 3.45Å; N380-V382 VanDerWaalsContact O-N 3.16Å; N380-R469 PolarHBondContact O-NH2 2.99Å
381	D	48.2	Very low	51.6	Low	97 Å²	97	77.4 Å²	77.4	52%	0.519	43%	0.432	S	S	.	.			trans	-90.7	75.9	177.3	-96.6	-11.8	0	0	0	112.7	F383 N384	D381-F383 PolarHBondContact O-N 3.12Å; D381-N384 HydrophobicContact CB-CB 4.25Å; D381-N384 WeakPolarHBondContact CB-ND2 3.13Å; D381-N384 PolarHBondContact O-N 2.83Å; D381-N384 PolarHBondContact OD2-ND2 3Å
382	V	47	Very low	52.7	Low	42 Å²	42	72.4 Å²	72.4	26%	0.255	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-55.4	-33.1	175.2	173.8	0	0	0	0	112	N380 N384 R385 R469	N380-V382 PolarHBondContact O-N 3.45Å; N380-V382 VanDerWaalsContact O-N 3.16Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 3.49Å; V382-R385 PolarHBondContact O-N 2.87Å; V382-R385 VanDerWaalsContact O-N 3.14Å; V382-R469 HydrophobicContact CG1-CG 4.25Å; V382-R469 HydrophobicContact CG2-CG 4.18Å
383	F	48.5	Very low	54.2	Low	30 Å²	30	66.6 Å²	66.6	13%	0.132	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-64.5	-27.6	177.9	-80.9	-78.4	0	0	0	113.8	I309 L313 R361 D381 R385 L391 I448 F449	I309-F383 HydrophobicContact CG2-CE1 4.38Å; L313-F383 HydrophobicContact CD1-CZ 4.03Å; R361-F383 PolarHBondContact NH1-O 2.92Å; R361-F383 VanDerWaalsContact NH1-O 3.08Å; R361-F383 PolarHBondContact NH2-O 2.88Å; R361-F383 VanDerWaalsContact NH2-O 3.11Å; D381-F383 PolarHBondContact O-N 3.12Å; F383-R385 PolarHBondContact O-N 3.05Å; F383-L391 HydrophobicContact CD1-CD1 3.9Å; F383-L391 HydrophobicContact CE1-CD1 3.64Å; F383-I448 HydrophobicContact CE2-CG2 4.46Å; F383-F449 HydrophobicContact CD2-CE2 4.4Å; F383-F449 AromaticContact CD2-CZ 3.89Å; F383-F449 HydrophobicContact CD2-CZ 3.89Å; F383-F449 AromaticContact CE2-CE2 3.73Å; F383-F449 HydrophobicContact CE2-CE2 3.73Å; F383-F449 AromaticContact CE2-CZ 3.69Å; F383-F449 HydrophobicContact CE2-CZ 3.69Å
384	N	51.7	Low	55.8	Low	42 Å²	42	65.2 Å²	65.2	23%	0.225	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-74.6	-7.9	178.2	-75.9	-24.4	0	0	0	113.3	D381 V382	D381-N384 HydrophobicContact CB-CB 4.25Å; D381-N384 WeakPolarHBondContact CB-ND2 3.13Å; D381-N384 PolarHBondContact O-N 2.83Å; D381-N384 PolarHBondContact OD2-ND2 3Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 3.49Å
385	R	57.1	Low	57.9	Low	137 Å²	137	55.7 Å²	55.7	52%	0.517	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-18.4	179	-62.3	-175	179.4	178.6	0.4	113.8	V382 F383	V382-R385 PolarHBondContact O-N 2.87Å; V382-R385 VanDerWaalsContact O-N 3.14Å; F383-R385 PolarHBondContact O-N 3.05Å
386	L	64	Low	60.2	Low	56 Å²	56	48.1 Å²	48.1	29%	0.293	28%	0.275	S	S	.	.	S	Bend	trans	-81.4	133.1	-178.7	-71	164.8	0	0	0	111.3	R361 Q390	R361-L386 PolarHBondContact NH1-O 3.38Å; L386-Q390 HydrophobicContact CD2-CB 4.15Å
387	S	69.9	Low	62.2	Low	4 Å²	4	44.6 Å²	44.6	3%	0.028	25%	0.248	C	C	.	.			trans	-65	152.7	171.6	80.2	0	0	0	0	110.6	F389 Q390 L391	S387-F389 PolarHBondContact O-N 3.42Å; S387-F389 VanDerWaalsContact O-N 3.16Å; S387-Q390 VanDerWaalsContact N-OE1 3.1Å; S387-Q390 PolarHBondContact O-N 3.4Å; S387-Q390 VanDerWaalsContact O-N 3.13Å; S387-Q390 WeakPolarHBondContact OG-CB 3.34Å; S387-Q390 VanDerWaalsContact OG-CG 3.28Å; S387-Q390 WeakPolarHBondContact OG-CG 3.42Å; S387-Q390 PolarHBondContact OG-N 2.82Å; S387-Q390 VanDerWaalsContact OG-N 3.1Å; S387-L391 PolarHBondContact O-N 2.85Å
388	P	76.4	Confident	64	Low	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-53.7	-36.7	176.5	-12.9	15.8	0	0	0	112.2	I354 T358 A392 I418 L421	I354-P388 HydrophobicContact CG2-CB 3.87Å; T358-P388 HydrophobicContact CG2-CB 3.72Å; T358-P388 HydrophobicContact CG2-CG 3.55Å; P388-A392 WeakPolarHBondContact O-CB 3.36Å; P388-A392 PolarHBondContact O-N 2.85Å; P388-I418 HydrophobicContact CB-CG2 4.29Å; P388-L421 HydrophobicContact CB-CD1 4.12Å; P388-L421 HydrophobicContact CG-CB 4.46Å
389	F	79.5	Confident	66.3	Low	6 Å²	6	36 Å²	36	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-46.2	177.7	177	-114.5	0	0	0	112.5	S387 L391 A392 L393 M419 I435 R549 L552 V553	S387-F389 PolarHBondContact O-N 3.42Å; S387-F389 VanDerWaalsContact O-N 3.16Å; F389-L391 VanDerWaalsContact C-N 3.32Å; F389-L391 PolarHBondContact O-N 2.94Å; F389-A392 PolarHBondContact O-N 3.35Å; F389-L393 WeakPolarHBondContact O-CB 2.99Å; F389-L393 PolarHBondContact O-N 3.03Å; F389-M419 HydrophobicContact CD2-CG 3.69Å; F389-M419 HydrophobicContact CE2-CE 4.11Å; F389-M419 HydrophobicContact CE2-CG 3.81Å; F389-M419 HydrophobicContact CE2-SD 4.32Å; F389-I435 HydrophobicContact CD1-CD1 4.49Å; F389-I435 HydrophobicContact CE1-CD1 3.96Å; F389-R549 HydrophobicContact CD1-CG 4.27Å; F389-R549 HydrophobicContact CD2-CB 4.36Å; F389-R549 HydrophobicContact CE1-CB 4.5Å; F389-R549 HydrophobicContact CE2-CB 4.3Å; F389-R549 HydrophobicContact CG-CB 4.49Å; F389-R549 HydrophobicContact CG-CG 4.31Å; F389-R549 HydrophobicContact CZ-CB 4.37Å; F389-L552 HydrophobicContact CE1-CB 4.38Å; F389-L552 HydrophobicContact CE1-CD1 3.91Å; F389-L552 HydrophobicContact CZ-CB 4.2Å; F389-V553 HydrophobicContact CE2-CG2 3.86Å; F389-V553 HydrophobicContact CZ-CG2 3.82Å
390	Q	73.6	Confident	68.4	Low	27 Å²	27	32.1 Å²	32.1	13%	0.126	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-43.2	175.7	-76.5	169	-14.2	0	0	111.5	L386 S387 L393 S394 I435	L386-Q390 HydrophobicContact CD2-CB 4.15Å; S387-Q390 VanDerWaalsContact N-OE1 3.1Å; S387-Q390 PolarHBondContact O-N 3.4Å; S387-Q390 VanDerWaalsContact O-N 3.13Å; S387-Q390 WeakPolarHBondContact OG-CB 3.34Å; S387-Q390 VanDerWaalsContact OG-CG 3.28Å; S387-Q390 WeakPolarHBondContact OG-CG 3.42Å; S387-Q390 PolarHBondContact OG-N 2.82Å; S387-Q390 VanDerWaalsContact OG-N 3.1Å; Q390-L393 PolarHBondContact O-N 3.22Å; Q390-S394 PolarHBondContact O-N 3.04Å; Q390-S394 PolarHBondContact O-OG 3.34Å; Q390-I435 HydrophobicContact CG-CG1 4.18Å
391	L	76.2	Confident	70.3	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-42.1	176.2	179.3	66.7	0	0	0	111.9	I309 I354 F383 S387 F389 L393 S394 L395	I309-L391 HydrophobicContact CD1-CD2 3.49Å; I309-L391 VanDerWaalsContact CD1-CD2 3.49Å; I309-L391 HydrophobicContact CG1-CD2 4.46Å; I354-L391 HydrophobicContact CG1-CD2 4.03Å; I354-L391 HydrophobicContact CG1-CG 4.41Å; I354-L391 HydrophobicContact CG2-CD2 4.43Å; F383-L391 HydrophobicContact CD1-CD1 3.9Å; F383-L391 HydrophobicContact CE1-CD1 3.64Å; S387-L391 PolarHBondContact O-N 2.85Å; F389-L391 VanDerWaalsContact C-N 3.32Å; F389-L391 PolarHBondContact O-N 2.94Å; L391-L393 VanDerWaalsContact C-N 3.29Å; L391-L393 PolarHBondContact O-N 3.18Å; L391-S394 PolarHBondContact O-N 3.32Å; L391-S394 PolarHBondContact O-OG 3.38Å; L391-L395 HydrophobicContact CD1-CD1 4.03Å; L391-L395 HydrophobicContact CD1-CG 4.21Å; L391-L395 HydrophobicContact CG-CD1 3.91Å; L391-L395 HydrophobicContact CG-CG 4.46Å; L391-L395 WeakPolarHBondContact O-CB 3.48Å; L391-L395 WeakPolarHBondContact O-CG 3.4Å; L391-L395 PolarHBondContact O-N 3.33Å
392	A	82.5	Confident	71.5	Confident	2 Å²	2	29.1 Å²	29.1	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-41.4	176.3	0	0	0	0	0	111.7	I354 P388 F389 W396 L415 I418	I354-A392 HydrophobicContact CD1-CB 3.69Å; P388-A392 WeakPolarHBondContact O-CB 3.36Å; P388-A392 PolarHBondContact O-N 2.85Å; F389-A392 PolarHBondContact O-N 3.35Å; A392-W396 VanDerWaalsContact O-CB 3.26Å; A392-W396 WeakPolarHBondContact O-CB 3.47Å; A392-W396 PolarHBondContact O-N 3.32Å; A392-L415 HydrophobicContact CB-CD2 4.13Å; A392-I418 HydrophobicContact CB-CB 4.49Å; A392-I418 HydrophobicContact CB-CD1 4.25Å; A392-I418 HydrophobicContact CB-CG2 3.74Å
393	L	78	Confident	72.7	Confident	5 Å²	5	27.3 Å²	27.3	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-69.4	-41.4	179.8	-165.2	73.3	0	0	0	111.8	F389 Q390 L391 W396 H397 I435 V437 L526 L527	F389-L393 WeakPolarHBondContact O-CB 2.99Å; F389-L393 PolarHBondContact O-N 3.03Å; Q390-L393 PolarHBondContact O-N 3.22Å; L391-L393 VanDerWaalsContact C-N 3.29Å; L391-L393 PolarHBondContact O-N 3.18Å; L393-W396 WeakPolarHBondContact O-CB 3.46Å; L393-W396 PolarHBondContact O-N 3.26Å; L393-H397 PolarHBondContact O-CD2 2.87Å; L393-H397 PolarHBondContact O-N 3.38Å; L393-I435 HydrophobicContact CD2-CG2 3.18Å; L393-V437 HydrophobicContact CD2-CG2 3.81Å; L393-L526 HydrophobicContact CD1-CB 4.17Å; L393-L526 HydrophobicContact CD2-CB 3.96Å; L393-L526 HydrophobicContact CD2-CD1 4.1Å; L393-L527 HydrophobicContact CD1-CD2 4.08Å
394	S	74.5	Confident	73.8	Confident	40 Å²	40	32.2 Å²	32.2	28%	0.28	17%	0.168	S	C	.	.	H	α-helix	trans	-62	-48.2	175.1	67.9	0	0	0	0	110.8	Q390 L391 W396 H397 D398	Q390-S394 PolarHBondContact O-N 3.04Å; Q390-S394 PolarHBondContact O-OG 3.34Å; L391-S394 PolarHBondContact O-N 3.32Å; L391-S394 PolarHBondContact O-OG 3.38Å; S394-W396 VanDerWaalsContact C-N 3.29Å; S394-W396 PolarHBondContact O-N 3.21Å; S394-H397 PolarHBondContact O-N 3.39Å; S394-D398 WeakPolarHBondContact O-CB 3.19Å; S394-D398 PolarHBondContact O-N 3.1Å
395	L	78.7	Confident	74.5	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-35.2	177.1	-68.6	171.5	0	0	0	112.1	L313 V350 L351 I354 L391 D398 L399	L313-L395 HydrophobicContact CD2-CD2 3.86Å; V350-L395 HydrophobicContact CG1-CD1 4.1Å; V350-L395 HydrophobicContact CG1-CD2 4.12Å; L351-L395 HydrophobicContact CD2-CB 4.06Å; I354-L395 HydrophobicContact CD1-CD1 4.01Å; I354-L395 HydrophobicContact CG1-CD1 4.23Å; L391-L395 HydrophobicContact CD1-CD1 4.03Å; L391-L395 HydrophobicContact CD1-CG 4.21Å; L391-L395 HydrophobicContact CG-CD1 3.91Å; L391-L395 HydrophobicContact CG-CG 4.46Å; L391-L395 WeakPolarHBondContact O-CB 3.48Å; L391-L395 WeakPolarHBondContact O-CG 3.4Å; L391-L395 PolarHBondContact O-N 3.33Å; L395-D398 PolarHBondContact O-N 3.22Å; L395-L399 HydrophobicContact CB-CD1 4.33Å; L395-L399 WeakPolarHBondContact O-CB 3.39Å; L395-L399 WeakPolarHBondContact O-CD1 3.47Å; L395-L399 WeakPolarHBondContact O-CG 3.2Å; L395-L399 PolarHBondContact O-N 2.87Å
396	W	82	Confident	75.5	Confident	3 Å²	3	32.2 Å²	32.2	1%	0.011	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-51.5	175.2	-179.8	-92.3	0	0	0	111.5	L351 A392 L393 S394 D398 L399 V400 I407 N411 F412 L415 L527	L351-W396 HydrophobicContact CD1-CE3 4.21Å; A392-W396 VanDerWaalsContact O-CB 3.26Å; A392-W396 WeakPolarHBondContact O-CB 3.47Å; A392-W396 PolarHBondContact O-N 3.32Å; L393-W396 WeakPolarHBondContact O-CB 3.46Å; L393-W396 PolarHBondContact O-N 3.26Å; S394-W396 VanDerWaalsContact C-N 3.29Å; S394-W396 PolarHBondContact O-N 3.21Å; W396-D398 VanDerWaalsContact C-N 3.28Å; W396-D398 PolarHBondContact O-N 2.85Å; W396-L399 PolarHBondContact O-N 3.1Å; W396-V400 HydrophobicContact CD2-CG2 3.63Å; W396-V400 HydrophobicContact CE3-CG2 3.96Å; W396-V400 HydrophobicContact CG-CG2 4.08Å; W396-V400 HydrophobicContact CH2-CG2 4.33Å; W396-V400 HydrophobicContact CZ2-CG2 3.99Å; W396-V400 HydrophobicContact CZ3-CG2 4.3Å; W396-V400 VanDerWaalsContact O-CB 3.28Å; W396-V400 WeakPolarHBondContact O-CB 3.16Å; W396-V400 VanDerWaalsContact O-CG2 3.25Å; W396-V400 WeakPolarHBondContact O-CG2 3.03Å; W396-V400 PolarHBondContact O-N 3.42Å; W396-I407 HydrophobicContact CH2-CD1 3.75Å; W396-I407 HydrophobicContact CH2-CG2 4.02Å; W396-I407 HydrophobicContact CZ2-CD1 3.77Å; W396-N411 HydrophobicContact CZ3-CB 4.15Å; W396-F412 HydrophobicContact CH2-CD1 4.24Å; W396-F412 AromaticContact CH2-CE1 3.73Å; W396-F412 HydrophobicContact CH2-CE1 3.73Å; W396-F412 HydrophobicContact CH2-CE2 4.29Å; W396-F412 AromaticContact CH2-CZ 3.76Å; W396-F412 HydrophobicContact CH2-CZ 3.76Å; W396-F412 AromaticContact CZ2-CE1 3.89Å; W396-F412 HydrophobicContact CZ2-CE1 3.89Å; W396-F412 AromaticContact CZ2-CZ 3.97Å; W396-F412 HydrophobicContact CZ2-CZ 3.97Å; W396-L415 HydrophobicContact CD2-CD1 3.88Å; W396-L415 HydrophobicContact CE3-CD1 3.39Å; W396-L415 HydrophobicContact CE3-CD2 4.3Å; W396-L415 HydrophobicContact CE3-CG 4.05Å; W396-L415 HydrophobicContact CH2-CD1 3.78Å; W396-L415 HydrophobicContact CZ2-CD1 4.27Å; W396-L415 HydrophobicContact CZ3-CD1 3.32Å; W396-L415 HydrophobicContact CZ3-CG 4.11Å; W396-L527 HydrophobicContact CD2-CD2 4.13Å; W396-L527 HydrophobicContact CG-CD2 4.05Å; W396-L527 HydrophobicContact CZ2-CD2 4.49Å
397	H	77.5	Confident	76.4	Confident	22 Å²	22	30 Å²	30	10%	0.102	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-26.7	179.7	-72	-62.9	0	0	0	113.3	L393 S394 P401 V437 L526	L393-H397 PolarHBondContact O-CD2 2.87Å; L393-H397 PolarHBondContact O-N 3.38Å; S394-H397 PolarHBondContact O-N 3.39Å; H397-P401 WeakPolarHBondContact O-CD 3.38Å; H397-P401 VanDerWaalsContact O-CG 3.22Å; H397-P401 WeakPolarHBondContact O-CG 3.42Å; H397-V437 WeakPolarHBondContact NE2-CG1 3.28Å; H397-L526 PolarHBondContact CE1-O 2.91Å; H397-L526 VanDerWaalsContact CE1-O 3.26Å; H397-L526 PolarHBondContact NE2-O 3.37Å
398	D	74.9	Confident	77.1	Confident	52 Å²	52	31.3 Å²	31.3	28%	0.278	18%	0.178	S	C	.	.	H	α-helix	trans	-76.9	-40.7	174.5	-69.2	-27.3	0	0	0	112.4	S394 L395 W396 L402 Y442	S394-D398 WeakPolarHBondContact O-CB 3.19Å; S394-D398 PolarHBondContact O-N 3.1Å; L395-D398 PolarHBondContact O-N 3.22Å; W396-D398 VanDerWaalsContact C-N 3.28Å; W396-D398 PolarHBondContact O-N 2.85Å; D398-L402 WeakPolarHBondContact O-CD1 3.15Å; D398-L402 WeakPolarHBondContact O-CG 3.42Å; D398-Y442 HydrophobicContact CB-CD2 4.48Å
399	L	79.9	Confident	77.5	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-91.2	-36.2	-170.3	-63.2	172.8	0	0	0	114.4	L316 I347 V350 L395 W396 L402 S403	L316-L399 HydrophobicContact CD2-CD2 3.34Å; I347-L399 HydrophobicContact CD1-CB 4.45Å; I347-L399 HydrophobicContact CG1-CB 4.06Å; V350-L399 HydrophobicContact CB-CD1 3.87Å; V350-L399 HydrophobicContact CG1-CD1 3.83Å; V350-L399 HydrophobicContact CG2-CD1 4.38Å; L395-L399 HydrophobicContact CB-CD1 4.33Å; L395-L399 WeakPolarHBondContact O-CB 3.39Å; L395-L399 WeakPolarHBondContact O-CD1 3.47Å; L395-L399 WeakPolarHBondContact O-CG 3.2Å; L395-L399 PolarHBondContact O-N 2.87Å; W396-L399 PolarHBondContact O-N 3.1Å; L399-L402 HydrophobicContact CD2-CD1 4.49Å; L399-L402 WeakPolarHBondContact O-CB 3.33Å; L399-L402 PolarHBondContact O-N 3.44Å; L399-S403 PolarHBondContact O-N 3.01Å; L399-S403 VanDerWaalsContact O-N 3.15Å
400	V	79.9	Confident	77.7	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.055	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-42.9	-177.7	166.9	0	0	0	0	112.6	I347 W396 L402 S403 N405 I407	I347-V400 HydrophobicContact CD1-CG2 4.45Å; W396-V400 HydrophobicContact CD2-CG2 3.63Å; W396-V400 HydrophobicContact CE3-CG2 3.96Å; W396-V400 HydrophobicContact CG-CG2 4.08Å; W396-V400 HydrophobicContact CH2-CG2 4.33Å; W396-V400 HydrophobicContact CZ2-CG2 3.99Å; W396-V400 HydrophobicContact CZ3-CG2 4.3Å; W396-V400 VanDerWaalsContact O-CB 3.28Å; W396-V400 WeakPolarHBondContact O-CB 3.16Å; W396-V400 VanDerWaalsContact O-CG2 3.25Å; W396-V400 WeakPolarHBondContact O-CG2 3.03Å; W396-V400 PolarHBondContact O-N 3.42Å; V400-L402 PolarHBondContact O-N 3.22Å; V400-S403 PolarHBondContact O-N 3.11Å; V400-S403 PolarHBondContact O-OG 3.49Å; V400-N405 WeakPolarHBondContact CG1-OD1 3.37Å; V400-N405 PolarHBondContact O-N 2.92Å; V400-I407 HydrophobicContact CB-CD1 4.37Å; V400-I407 HydrophobicContact CG1-CD1 3.76Å; V400-I407 HydrophobicContact CG2-CD1 3.69Å
401	P	76	Confident	78.4	Confident	84 Å²	84	34.5 Å²	34.5	55%	0.545	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.9	174.6	-23.4	35.7	0	0	0	113.2	H397	H397-P401 WeakPolarHBondContact O-CD 3.38Å; H397-P401 VanDerWaalsContact O-CG 3.22Å; H397-P401 WeakPolarHBondContact O-CG 3.42Å
402	L	74.4	Confident	78.9	Confident	44 Å²	44	34.5 Å²	34.5	23%	0.23	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-27.5	179.3	-65.6	174.1	0	0	0	112.7	L320 V341 P342 D398 L399 V400 N404 Y442	L320-L402 HydrophobicContact CD1-CD1 4.14Å; V341-L402 VanDerWaalsContact CG1-O 3.28Å; V341-L402 WeakPolarHBondContact CG1-O 3.38Å; P342-L402 HydrophobicContact CG-CB 3.51Å; D398-L402 WeakPolarHBondContact O-CD1 3.15Å; D398-L402 WeakPolarHBondContact O-CG 3.42Å; L399-L402 HydrophobicContact CD2-CD1 4.49Å; L399-L402 WeakPolarHBondContact O-CB 3.33Å; L399-L402 PolarHBondContact O-N 3.44Å; V400-L402 PolarHBondContact O-N 3.22Å; L402-N404 VanDerWaalsContact C-N 3.28Å; L402-N404 PolarHBondContact O-N 3.48Å; L402-Y442 HydrophobicContact CD1-CD2 3.52Å; L402-Y442 HydrophobicContact CD1-CE2 4.06Å; L402-Y442 HydrophobicContact CD1-CG 3.84Å; L402-Y442 HydrophobicContact CD2-CG 4.43Å
403	S	71	Confident	79.1	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.028	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	12.9	-177.3	73.4	0	0	0	0	114.6	P342 I347 L399 V400 N405 D406	P342-S403 WeakPolarHBondContact O-CA 3.42Å; P342-S403 WeakPolarHBondContact O-CB 3.43Å; I347-S403 WeakPolarHBondContact CD1-OG 3.5Å; L399-S403 PolarHBondContact O-N 3.01Å; L399-S403 VanDerWaalsContact O-N 3.15Å; V400-S403 PolarHBondContact O-N 3.11Å; V400-S403 PolarHBondContact O-OG 3.49Å; S403-N405 PolarHBondContact O-N 3.29Å; S403-D406 VanDerWaalsContact O-CB 3.3Å; S403-D406 WeakPolarHBondContact O-CB 2.97Å; S403-D406 PolarHBondContact O-N 3.42Å; S403-D406 PolarHBondContact OG-N 3.15Å; S403-D406 PolarHBondContact OG-O 2.6Å
404	N	71.3	Confident	79.4	Confident	133 Å²	133	34.7 Å²	34.7	71%	0.711	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	32.7	-170.3	-66.4	-34.8	0	0	0	112.9	L402 D406	L402-N404 VanDerWaalsContact C-N 3.28Å; L402-N404 PolarHBondContact O-N 3.48Å; N404-D406 PolarHBondContact O-N 3.44Å
405	N	67.8	Low	80	Confident	89 Å²	89	33.3 Å²	33.3	48%	0.476	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	24.1	-174.1	-57.6	-44.3	0	0	0	114.9	V400 S403 I407 Y567	V400-N405 WeakPolarHBondContact CG1-OD1 3.37Å; V400-N405 PolarHBondContact O-N 2.92Å; S403-N405 PolarHBondContact O-N 3.29Å; N405-I407 PolarHBondContact O-N 3.15Å; N405-Y567 HydrophobicContact CB-CE1 4.28Å
406	D	76.9	Confident	80.4	Confident	89 Å²	89	33.2 Å²	33.2	48%	0.476	19%	0.185	S	C	.	.			trans	-71.8	94.7	168.7	-174.2	30.5	0	0	0	109.8	S344 S403 N404	S344-D406 WeakPolarHBondContact CB-O 3.44Å; S344-D406 PolarHBondContact N-OD2 3.01Å; S403-D406 VanDerWaalsContact O-CB 3.3Å; S403-D406 WeakPolarHBondContact O-CB 2.97Å; S403-D406 PolarHBondContact O-N 3.42Å; S403-D406 PolarHBondContact OG-N 3.15Å; S403-D406 PolarHBondContact OG-O 2.6Å; N404-D406 PolarHBondContact O-N 3.44Å
407	I	83.9	Confident	80.5	Confident	10 Å²	10	34.9 Å²	34.9	5%	0.051	19%	0.191	C	C	.	.			trans	-123	131.8	-177.5	-56.3	-169.3	0	0	0	109.5	W396 V400 N405 N411 F412 Y567 L569	W396-I407 HydrophobicContact CH2-CD1 3.75Å; W396-I407 HydrophobicContact CH2-CG2 4.02Å; W396-I407 HydrophobicContact CZ2-CD1 3.77Å; V400-I407 HydrophobicContact CB-CD1 4.37Å; V400-I407 HydrophobicContact CG1-CD1 3.76Å; V400-I407 HydrophobicContact CG2-CD1 3.69Å; N405-I407 PolarHBondContact O-N 3.15Å; I407-N411 HydrophobicContact CG2-CB 3.94Å; I407-F412 HydrophobicContact CG2-CD2 4.17Å; I407-F412 HydrophobicContact CG2-CE2 3.56Å; I407-F412 HydrophobicContact CG2-CZ 4.2Å; I407-Y567 HydrophobicContact CB-CD1 4.27Å; I407-Y567 HydrophobicContact CB-CE1 4.37Å; I407-Y567 HydrophobicContact CD1-CD1 4.01Å; I407-Y567 HydrophobicContact CD1-CE1 3.29Å; I407-Y567 HydrophobicContact CD1-CE2 4.15Å; I407-Y567 WeakPolarHBondContact CD1-OH 3.43Å; I407-Y567 HydrophobicContact CG1-CD1 4.32Å; I407-Y567 HydrophobicContact CG1-CE1 3.94Å; I407-L569 HydrophobicContact CG2-CD1 4.43Å
408	A	84.3	Confident	80.8	Confident	31 Å²	31	33.9 Å²	33.9	26%	0.256	19%	0.187	S	C	.	.			trans	-99.4	157	173.5	0	0	0	0	0	111.9	S344 H410 N411	S344-A408 WeakPolarHBondContact OG-CB 3.24Å; S344-A408 PolarHBondContact OG-N 2.69Å; S344-A408 VanDerWaalsContact OG-N 3.11Å; A408-H410 PolarHBondContact O-N 3.44Å; A408-H410 VanDerWaalsContact O-N 3.09Å; A408-N411 PolarHBondContact N-ND2 3.48Å; A408-N411 WeakPolarHBondContact O-CB 3.36Å; A408-N411 PolarHBondContact O-N 2.96Å
409	P	84	Confident	81.2	Confident	29 Å²	29	31.7 Å²	31.7	19%	0.188	18%	0.175	C	C	.	.	H	α-helix	trans	-54.9	-29.1	174.4	-23.1	30.7	0	0	0	113.8	N411 F412 T413 L569 K570	P409-N411 VanDerWaalsContact C-N 3.29Å; P409-N411 PolarHBondContact O-N 2.87Å; P409-F412 PolarHBondContact O-N 3.42Å; P409-T413 PolarHBondContact O-N 3.24Å; P409-T413 PolarHBondContact O-OG1 2.93Å; P409-L569 HydrophobicContact CG-CB 4.27Å; P409-K570 WeakPolarHBondContact CG-O 3.43Å
410	H	84.5	Confident	81.2	Confident	73 Å²	73	32.2 Å²	32.2	34%	0.338	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-31.2	177.3	-172.7	71	0	0	0	112.8	A408 F412 T413 L414	A408-H410 PolarHBondContact O-N 3.44Å; A408-H410 VanDerWaalsContact O-N 3.09Å; H410-F412 VanDerWaalsContact C-N 3.31Å; H410-F412 PolarHBondContact O-N 3.2Å; H410-T413 WeakPolarHBondContact O-CB 3.48Å; H410-T413 PolarHBondContact O-N 2.87Å; H410-T413 VanDerWaalsContact O-N 3.13Å; H410-L414 PolarHBondContact O-N 3.15Å
411	N	87.4	Confident	81	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-41.2	178.3	-60.7	-10.3	0	0	0	110.7	S344 T348 W396 I407 A408 P409 L414 L415	S344-N411 PolarHBondContact OG-ND2 2.9Å; T348-N411 PolarHBondContact OG1-OD1 3.36Å; W396-N411 HydrophobicContact CZ3-CB 4.15Å; I407-N411 HydrophobicContact CG2-CB 3.94Å; A408-N411 PolarHBondContact N-ND2 3.48Å; A408-N411 WeakPolarHBondContact O-CB 3.36Å; A408-N411 PolarHBondContact O-N 2.96Å; P409-N411 VanDerWaalsContact C-N 3.29Å; P409-N411 PolarHBondContact O-N 2.87Å; N411-L414 PolarHBondContact O-N 3.03Å; N411-L415 PolarHBondContact O-N 3.48Å
412	F	87.8	Confident	80.7	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.2	-38.2	174	-68.2	-77.4	0	0	0	112.3	W396 I407 P409 H410 L414 L415 T416 L527 L559 I562 I563 Y567 L569 F575	W396-F412 HydrophobicContact CH2-CD1 4.24Å; W396-F412 AromaticContact CH2-CE1 3.73Å; W396-F412 HydrophobicContact CH2-CE1 3.73Å; W396-F412 HydrophobicContact CH2-CE2 4.29Å; W396-F412 AromaticContact CH2-CZ 3.76Å; W396-F412 HydrophobicContact CH2-CZ 3.76Å; W396-F412 AromaticContact CZ2-CE1 3.89Å; W396-F412 HydrophobicContact CZ2-CE1 3.89Å; W396-F412 AromaticContact CZ2-CZ 3.97Å; W396-F412 HydrophobicContact CZ2-CZ 3.97Å; I407-F412 HydrophobicContact CG2-CD2 4.17Å; I407-F412 HydrophobicContact CG2-CE2 3.56Å; I407-F412 HydrophobicContact CG2-CZ 4.2Å; P409-F412 PolarHBondContact O-N 3.42Å; H410-F412 VanDerWaalsContact C-N 3.31Å; H410-F412 PolarHBondContact O-N 3.2Å; F412-L414 VanDerWaalsContact C-N 3.26Å; F412-L414 PolarHBondContact O-N 3.42Å; F412-L415 HydrophobicContact CD1-CD1 4.42Å; F412-L415 PolarHBondContact O-N 2.88Å; F412-T416 VanDerWaalsContact O-CG2 3.32Å; F412-T416 WeakPolarHBondContact O-CG2 3.39Å; F412-T416 PolarHBondContact O-N 2.73Å; F412-T416 PolarHBondContact O-OG1 2.81Å; F412-L527 HydrophobicContact CE1-CD1 4.23Å; F412-L559 HydrophobicContact CD1-CD1 4.17Å; F412-I562 HydrophobicContact CE1-CG2 4.07Å; F412-I562 HydrophobicContact CZ-CG2 4.1Å; F412-I563 HydrophobicContact CB-CD1 3.88Å; F412-I563 HydrophobicContact CD1-CD1 3.85Å; F412-I563 HydrophobicContact CD1-CG1 3.84Å; F412-I563 HydrophobicContact CD2-CD1 4.1Å; F412-I563 HydrophobicContact CD2-CG1 3.89Å; F412-I563 HydrophobicContact CE1-CD1 4.42Å; F412-I563 HydrophobicContact CE1-CG1 3.9Å; F412-I563 HydrophobicContact CE2-CG1 3.96Å; F412-I563 HydrophobicContact CG-CD1 3.67Å; F412-I563 HydrophobicContact CG-CG1 3.83Å; F412-I563 HydrophobicContact CZ-CG1 3.96Å; F412-Y567 HydrophobicContact CE2-CD2 4.19Å; F412-Y567 AromaticContact CZ-CD2 3.64Å; F412-Y567 HydrophobicContact CZ-CD2 3.64Å; F412-Y567 AromaticContact CZ-CE2 3.8Å; F412-Y567 HydrophobicContact CZ-CE2 3.8Å; F412-Y567 HydrophobicContact CZ-CG 4.46Å; F412-L569 HydrophobicContact CD2-CD1 4.25Å; F412-L569 HydrophobicContact CE2-CD1 3.82Å; F412-F575 HydrophobicContact CB-CD2 4.25Å; F412-F575 HydrophobicContact CB-CE2 3.95Å
413	T	85.4	Confident	80.1	Confident	6 Å²	6	33.4 Å²	33.4	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-37.5	174.3	-53.5	0	0	0	0	111.3	P409 H410 T416 R417 C578	P409-T413 PolarHBondContact O-N 3.24Å; P409-T413 PolarHBondContact O-OG1 2.93Å; H410-T413 WeakPolarHBondContact O-CB 3.48Å; H410-T413 PolarHBondContact O-N 2.87Å; H410-T413 VanDerWaalsContact O-N 3.13Å; T413-T416 PolarHBondContact O-OG1 2.93Å; T413-R417 VanDerWaalsContact O-CG 3.29Å; T413-R417 WeakPolarHBondContact O-CG 3.39Å; T413-R417 PolarHBondContact O-N 3.23Å; T413-R417 VanDerWaalsContact O-N 3.12Å; T413-C578 HydrophobicContact CG2-CB 4.4Å
414	L	85.8	Confident	79.2	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-72	-42.3	176.3	-175.3	60.9	0	0	0	112.1	F81 T348 L351 H410 N411 F412 T416 R417 I418	F81-L414 HydrophobicContact CE1-CD1 4.15Å; F81-L414 HydrophobicContact CZ-CD1 4.42Å; T348-L414 HydrophobicContact CG2-CD2 4.13Å; T348-L414 WeakPolarHBondContact O-CD2 3.05Å; L351-L414 HydrophobicContact CB-CD2 3.53Å; L351-L414 HydrophobicContact CB-CG 4.2Å; H410-L414 PolarHBondContact O-N 3.15Å; N411-L414 PolarHBondContact O-N 3.03Å; F412-L414 VanDerWaalsContact C-N 3.26Å; F412-L414 PolarHBondContact O-N 3.42Å; L414-T416 VanDerWaalsContact C-N 3.34Å; L414-T416 PolarHBondContact O-N 3.33Å; L414-R417 WeakPolarHBondContact O-CB 3.29Å; L414-R417 PolarHBondContact O-N 3.4Å; L414-I418 HydrophobicContact CG-CD1 4.13Å; L414-I418 WeakPolarHBondContact O-CD1 3.37Å; L414-I418 VanDerWaalsContact O-CG1 3.32Å; L414-I418 WeakPolarHBondContact O-CG1 3.33Å; L414-I418 PolarHBondContact O-N 3.26Å
415	L	86.9	Confident	78	Confident	11 Å²	11	30.8 Å²	30.8	6%	0.058	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-46.8	172	-82.8	175.8	0	0	0	111.8	L351 A392 W396 N411 F412 R417 I418 M419 L527	L351-L415 HydrophobicContact CD1-CD2 4.41Å; L351-L415 HydrophobicContact CD1-CG 4.41Å; A392-L415 HydrophobicContact CB-CD2 4.13Å; W396-L415 HydrophobicContact CD2-CD1 3.88Å; W396-L415 HydrophobicContact CE3-CD1 3.39Å; W396-L415 HydrophobicContact CE3-CD2 4.3Å; W396-L415 HydrophobicContact CE3-CG 4.05Å; W396-L415 HydrophobicContact CH2-CD1 3.78Å; W396-L415 HydrophobicContact CZ2-CD1 4.27Å; W396-L415 HydrophobicContact CZ3-CD1 3.32Å; W396-L415 HydrophobicContact CZ3-CG 4.11Å; N411-L415 PolarHBondContact O-N 3.48Å; F412-L415 HydrophobicContact CD1-CD1 4.42Å; F412-L415 PolarHBondContact O-N 2.88Å; L415-R417 VanDerWaalsContact C-N 3.28Å; L415-R417 PolarHBondContact O-N 3.02Å; L415-I418 PolarHBondContact O-N 2.78Å; L415-I418 VanDerWaalsContact O-N 3.14Å; L415-M419 VanDerWaalsContact O-CG 3.24Å; L415-M419 WeakPolarHBondContact O-CG 3.35Å; L415-M419 PolarHBondContact O-N 2.82Å; L415-L527 HydrophobicContact CD1-CD1 4.49Å; L415-L527 HydrophobicContact CD1-CD2 3.95Å
416	T	86.1	Confident	76.7	Confident	2 Å²	2	29 Å²	29	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-34.4	178.3	60.6	0	0	0	0	112.1	F412 T413 L414 G420 L559 F575 C578 I579 L582	F412-T416 VanDerWaalsContact O-CG2 3.32Å; F412-T416 WeakPolarHBondContact O-CG2 3.39Å; F412-T416 PolarHBondContact O-N 2.73Å; F412-T416 PolarHBondContact O-OG1 2.81Å; T413-T416 PolarHBondContact O-OG1 2.93Å; L414-T416 VanDerWaalsContact C-N 3.34Å; L414-T416 PolarHBondContact O-N 3.33Å; T416-G420 PolarHBondContact O-N 3.49Å; T416-L559 HydrophobicContact CG2-CD2 3.84Å; T416-F575 HydrophobicContact CG2-CD2 4.26Å; T416-F575 HydrophobicContact CG2-CE2 3.74Å; T416-C578 WeakPolarHBondContact OG1-CB 3.3Å; T416-I579 HydrophobicContact CG2-CG1 4.14Å; T416-L582 HydrophobicContact CG2-CD1 4.22Å
417	R	83.8	Confident	75	Confident	38 Å²	38	30.1 Å²	30.1	14%	0.143	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-47.4	170.6	-72.6	171.7	68.5	155.8	5.6	112	F79 D80 T413 L414 L415 M419 G420 C578	F79-R417 PolarHBondContact O-NH2 3.35Å; D80-R417 PolarHBondContact O-NH1 2.94Å; D80-R417 PolarHBondContact O-NH2 3.14Å; T413-R417 VanDerWaalsContact O-CG 3.29Å; T413-R417 WeakPolarHBondContact O-CG 3.39Å; T413-R417 PolarHBondContact O-N 3.23Å; T413-R417 VanDerWaalsContact O-N 3.12Å; L414-R417 WeakPolarHBondContact O-CB 3.29Å; L414-R417 PolarHBondContact O-N 3.4Å; L415-R417 VanDerWaalsContact C-N 3.28Å; L415-R417 PolarHBondContact O-N 3.02Å; R417-M419 VanDerWaalsContact C-N 3.34Å; R417-M419 PolarHBondContact O-N 3.17Å; R417-G420 WeakPolarHBondContact O-CA 3.27Å; R417-G420 PolarHBondContact O-N 3.37Å; R417-C578 HydrophobicContact CG-CB 4.21Å; R417-C578 VanDerWaalsContact CG-SG 3.57Å
418	I	84.2	Confident	72.8	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-40.8	179.5	-64.1	155.1	0	0	0	111.3	L351 I354 P388 A392 L414 L415 G420 L421	L351-I418 HydrophobicContact CB-CD1 4.2Å; I354-I418 HydrophobicContact CB-CD1 4.49Å; I354-I418 HydrophobicContact CB-CG1 4.43Å; I354-I418 HydrophobicContact CD1-CD1 3.77Å; I354-I418 HydrophobicContact CD1-CG1 4.49Å; I354-I418 HydrophobicContact CD1-CG2 4.45Å; I354-I418 HydrophobicContact CG2-CG2 3.87Å; P388-I418 HydrophobicContact CB-CG2 4.29Å; A392-I418 HydrophobicContact CB-CB 4.49Å; A392-I418 HydrophobicContact CB-CD1 4.25Å; A392-I418 HydrophobicContact CB-CG2 3.74Å; L414-I418 HydrophobicContact CG-CD1 4.13Å; L414-I418 WeakPolarHBondContact O-CD1 3.37Å; L414-I418 VanDerWaalsContact O-CG1 3.32Å; L414-I418 WeakPolarHBondContact O-CG1 3.33Å; L414-I418 PolarHBondContact O-N 3.26Å; L415-I418 PolarHBondContact O-N 2.78Å; L415-I418 VanDerWaalsContact O-N 3.14Å; I418-G420 PolarHBondContact O-N 3.29Å; I418-L421 HydrophobicContact CG2-CD1 4.25Å; I418-L421 WeakPolarHBondContact O-CB 3.09Å; I418-L421 WeakPolarHBondContact O-CG 3.45Å; I418-L421 PolarHBondContact O-N 3.41Å; I418-L421 VanDerWaalsContact O-N 3.07Å
419	M	83.3	Confident	70.6	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-27.2	175.1	-69.1	169.3	75.2	0	0	112.5	F389 L415 R417 R549 L550 V553 L582	F389-M419 HydrophobicContact CD2-CG 3.69Å; F389-M419 HydrophobicContact CE2-CE 4.11Å; F389-M419 HydrophobicContact CE2-CG 3.81Å; F389-M419 HydrophobicContact CE2-SD 4.32Å; L415-M419 VanDerWaalsContact O-CG 3.24Å; L415-M419 WeakPolarHBondContact O-CG 3.35Å; L415-M419 PolarHBondContact O-N 2.82Å; R417-M419 VanDerWaalsContact C-N 3.34Å; R417-M419 PolarHBondContact O-N 3.17Å; M419-R549 HydrophobicContact CE-CB 4.12Å; M419-R549 WeakPolarHBondContact CE-O 3.46Å; M419-R549 PolarHBondContact O-NH1 3.32Å; M419-L550 VanDerWaalsContact CE-CA 3.48Å; M419-L550 HydrophobicContact CE-CB 4.34Å; M419-L550 HydrophobicContact CE-CD1 4.48Å; M419-V553 HydrophobicContact CE-CB 3.98Å; M419-V553 HydrophobicContact CE-CG2 3.64Å; M419-V553 HydrophobicContact SD-CG2 4.25Å; M419-L582 HydrophobicContact CB-CD1 4.03Å; M419-L582 HydrophobicContact CB-CD2 3.67Å; M419-L582 HydrophobicContact CE-CD1 4.29Å; M419-L582 HydrophobicContact SD-CD1 4.3Å
420	G	79.8	Confident	68.6	Low	12 Å²	12	38.2 Å²	38.2	12%	0.124	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.8	178.2	0	0	0	0	0	115	T416 R417 I418	T416-G420 PolarHBondContact O-N 3.49Å; R417-G420 WeakPolarHBondContact O-CA 3.27Å; R417-G420 PolarHBondContact O-N 3.37Å; I418-G420 PolarHBondContact O-N 3.29Å
421	L	76.7	Confident	66.6	Low	21 Å²	21	36.8 Å²	36.8	11%	0.11	20%	0.197	C	C	.	.	S	Bend	trans	-68.6	145.1	176.7	-64.7	176	0	0	0	111	I354 E355 T358 P388 I418 R549	I354-L421 HydrophobicContact CG2-CD1 4.5Å; E355-L421 HydrophobicContact CB-CD1 4.01Å; E355-L421 HydrophobicContact CB-CD2 4.35Å; E355-L421 HydrophobicContact CG-CD1 4.41Å; E355-L421 HydrophobicContact CG-CD2 3.9Å; T358-L421 HydrophobicContact CG2-CD1 4.5Å; P388-L421 HydrophobicContact CB-CD1 4.12Å; P388-L421 HydrophobicContact CG-CB 4.46Å; I418-L421 HydrophobicContact CG2-CD1 4.25Å; I418-L421 WeakPolarHBondContact O-CB 3.09Å; I418-L421 WeakPolarHBondContact O-CG 3.45Å; I418-L421 PolarHBondContact O-N 3.41Å; I418-L421 VanDerWaalsContact O-N 3.07Å; L421-R549 PolarHBondContact O-NH1 3.13Å; L421-R549 PolarHBondContact O-NH2 2.89Å
422	K	69	Low	64.3	Low	132 Å²	132	40.4 Å²	40.4	57%	0.574	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-71.7	135.7	173.6	-67.1	-175.4	179.1	-176.6	0	108.8	V238 I240	V238-K422 HydrophobicContact CB-CB 4.34Å; V238-K422 HydrophobicContact CG1-CB 4.34Å; I240-K422 HydrophobicContact CD1-CB 4.47Å
423	N	61.6	Low	62.4	Low	9 Å²	9	41.5 Å²	41.5	5%	0.048	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-69.9	134.1	-177	-91.3	-4.5	0	0	0	111.2	E433 R549	N423-E433 PolarHBondContact ND2-OE1 2.94Å; N423-R549 PolarHBondContact ND2-NH2 3.46Å; N423-R549 VanDerWaalsContact ND2-NH2 3.17Å; N423-R549 PolarHBondContact OD1-NH1 3.36Å; N423-R549 PolarHBondContact OD1-NH2 3.49Å
424	D	52	Low	60.4	Low	24 Å²	24	42.4 Å²	42.4	13%	0.128	23%	0.231	C	C	.	.			trans	-93.4	22.7	176.6	-76.2	-10.2	0	0	0	113	V238 N362 L426	V238-D424 WeakPolarHBondContact CG1-OD1 3.23Å; N362-D424 VanDerWaalsContact CG-OD1 3.26Å; N362-D424 PolarHBondContact ND2-OD1 2.87Å; N362-D424 PolarHBondContact ND2-OD2 3.31Å; N362-D424 PolarHBondContact OD1-OD1 3.34Å; D424-L426 PolarHBondContact O-N 3.17Å
425	C	46.9	Very low	58.7	Low	58 Å²	58	42.4 Å²	42.4	39%	0.392	23%	0.231	S	C	.	.			trans	-63.4	100	-176.9	-42.9	0	0	0	0	109.1	D427	C425-D427 PolarHBondContact O-N 3.04Å
426	L	41	Very low	56.9	Low	53 Å²	53	43.8 Å²	43.8	28%	0.277	24%	0.237	S	C	.	.	S	Bend	trans	-73.9	-5.7	-173.2	-86.5	163.2	0	0	0	113.9	S365 D424	S365-L426 WeakPolarHBondContact OG-CD1 3.34Å; S365-L426 WeakPolarHBondContact OG-CD2 3.47Å; D424-L426 PolarHBondContact O-N 3.17Å
427	D	39.5	Very low	55.3	Low	112 Å²	112	43.7 Å²	43.7	60%	0.599	24%	0.236	S	C	*	.			trans	-131.6	92.2	174.4	-63.4	-42.9	0	0	0	109	C425 N429	C425-D427 PolarHBondContact O-N 3.04Å; D427-N429 PolarHBondContact O-N 3.39Å
428	A	38.4	Very low	53.7	Low	24 Å²	24	45.1 Å²	45.1	20%	0.198	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-0.4	168.5	0	0	0	0	0	112.8	N431	A428-N431 PolarHBondContact O-ND2 3.28Å
429	N	38.2	Very low	51.9	Low	131 Å²	131	48.4 Å²	48.4	70%	0.701	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-7.6	-173	-66.6	13.4	0	0	0	113.7	D427	D427-N429 PolarHBondContact O-N 3.39Å
430	N	41.9	Very low	50.2	Low	84 Å²	84	50.9 Å²	50.9	45%	0.449	28%	0.282	S	S	.	.			trans	-128	59.2	-179.4	-79.7	-10.3	0	0	0	112.1	C432 A479	N430-C432 PolarHBondContact O-N 3.05Å; N430-A479 HydrophobicContact CB-CB 4.41Å; N430-A479 WeakPolarHBondContact ND2-CB 3.37Å
431	N	42.9	Very low	48.7	Very low	43 Å²	43	61.1 Å²	61.1	23%	0.23	32%	0.317	C	S	.	.			trans	-72.1	62.3	-174.4	-63.9	-50.6	0	0	0	114.8	A428 D541	A428-N431 PolarHBondContact O-ND2 3.28Å; N431-D541 WeakPolarHBondContact ND2-CA 3.35Å; N431-D541 PolarHBondContact ND2-N 3.24Å; N431-D541 PolarHBondContact ND2-OD1 3.37Å
432	C	38.6	Very low	47.4	Very low	76 Å²	76	62.8 Å²	62.8	51%	0.514	32%	0.322	S	S	.	.			trans	-115.7	89.6	156.7	-67.2	0	0	0	0	107.3	N430 I434	N430-C432 PolarHBondContact O-N 3.05Å; C432-I434 HydrophobicContact CB-CD1 3.73Å; C432-I434 HydrophobicContact CB-CG1 3.8Å; C432-I434 PolarHBondContact O-N 3.25Å
433	E	47.3	Very low	46.7	Very low	23 Å²	23	59.8 Å²	59.8	11%	0.107	31%	0.309	C	S	.	.			trans	-70.7	80.8	168.8	-81.7	-163.1	-162.5	0	0	109.6	N423 I435 I536 L544	N423-E433 PolarHBondContact ND2-OE1 2.94Å; E433-I435 PolarHBondContact O-N 3.47Å; E433-I536 CarbonylContact C-O 3.6Å; E433-L544 WeakPolarHBondContact OE2-CD1 3.48Å; E433-L544 WeakPolarHBondContact OE2-CG 3.38Å
434	I	44.7	Very low	46.3	Very low	25 Å²	25	61.2 Å²	61.2	13%	0.128	32%	0.32	C	S	.	.			trans	-87	109.3	-175.2	-60.3	175.6	0	0	0	109.5	C432 F436 M475 V535	C432-I434 HydrophobicContact CB-CD1 3.73Å; C432-I434 HydrophobicContact CB-CG1 3.8Å; C432-I434 PolarHBondContact O-N 3.25Å; I434-F436 HydrophobicContact CB-CE2 4.09Å; I434-F436 HydrophobicContact CG2-CD2 3.74Å; I434-F436 HydrophobicContact CG2-CE1 4.02Å; I434-F436 HydrophobicContact CG2-CE2 3.14Å; I434-F436 HydrophobicContact CG2-CG 4.38Å; I434-F436 HydrophobicContact CG2-CZ 3.26Å; I434-F436 PolarHBondContact O-N 3.17Å; I434-M475 HydrophobicContact CB-SD 4.4Å; I434-M475 HydrophobicContact CD1-CE 2.91Å; I434-M475 HydrophobicContact CD1-SD 3.1Å; I434-M475 WeakPolarHBondContact CD1-SD 3.49Å; I434-M475 HydrophobicContact CG1-CE 4.38Å; I434-M475 HydrophobicContact CG1-SD 4.3Å; I434-M475 HydrophobicContact CG2-SD 4.35Å; I434-V535 HydrophobicContact CB-CG1 4.47Å; I434-V535 HydrophobicContact CD1-CG1 4.11Å; I434-V535 HydrophobicContact CG1-CG1 3.97Å; I434-V535 HydrophobicContact CG2-CB 4.2Å; I434-V535 HydrophobicContact CG2-CG1 3.81Å; I434-V535 HydrophobicContact CG2-CG2 3.84Å
435	I	50.3	Low	46.2	Very low	5 Å²	5	61.3 Å²	61.3	3%	0.026	32%	0.319	C	S	.	.			trans	-95.3	92.1	-176.7	-58	164.9	0	0	0	109.2	F389 Q390 L393 E433 V437 L526 L552	F389-I435 HydrophobicContact CD1-CD1 4.49Å; F389-I435 HydrophobicContact CE1-CD1 3.96Å; Q390-I435 HydrophobicContact CG-CG1 4.18Å; L393-I435 HydrophobicContact CD2-CG2 3.18Å; E433-I435 PolarHBondContact O-N 3.47Å; I435-V437 HydrophobicContact CG2-CG2 4.46Å; I435-V437 PolarHBondContact O-N 3.23Å; I435-L526 HydrophobicContact CB-CD1 4.28Å; I435-L526 HydrophobicContact CD1-CD1 3.84Å; I435-L526 HydrophobicContact CG2-CD1 3.79Å; I435-L552 HydrophobicContact CD1-CD1 3.53Å
436	F	49.5	Very low	46.2	Very low	40 Å²	40	63.9 Å²	63.9	18%	0.175	33%	0.326	C	S	.	.			trans	-75.7	114.2	173.1	-72.2	-70.9	0	0	0	111.1	I434 L471 M475 P533 V535	I434-F436 HydrophobicContact CB-CE2 4.09Å; I434-F436 HydrophobicContact CG2-CD2 3.74Å; I434-F436 HydrophobicContact CG2-CE1 4.02Å; I434-F436 HydrophobicContact CG2-CE2 3.14Å; I434-F436 HydrophobicContact CG2-CG 4.38Å; I434-F436 HydrophobicContact CG2-CZ 3.26Å; I434-F436 PolarHBondContact O-N 3.17Å; F436-L471 HydrophobicContact CD1-CD1 4.1Å; F436-L471 HydrophobicContact CE1-CD1 3.36Å; F436-L471 HydrophobicContact CE1-CD2 4.07Å; F436-L471 HydrophobicContact CE1-CG 4.19Å; F436-L471 HydrophobicContact CE2-CB 3.95Å; F436-L471 HydrophobicContact CE2-CD1 4.07Å; F436-L471 HydrophobicContact CE2-CD2 3.57Å; F436-L471 HydrophobicContact CE2-CG 4.04Å; F436-L471 HydrophobicContact CZ-CB 4.09Å; F436-L471 HydrophobicContact CZ-CD1 3.37Å; F436-L471 HydrophobicContact CZ-CD2 3.16Å; F436-L471 HydrophobicContact CZ-CG 3.66Å; F436-M475 HydrophobicContact CE2-SD 4.26Å; F436-M475 HydrophobicContact CZ-SD 4.24Å; F436-P533 HydrophobicContact CD1-CB 3.91Å; F436-P533 HydrophobicContact CE1-CB 4.2Å; F436-V535 HydrophobicContact CE1-CG2 3.81Å; F436-V535 HydrophobicContact CZ-CG2 4.04Å
437	V	51.9	Low	46.6	Very low	1 Å²	1	65.4 Å²	65.4	1%	0.006	33%	0.334	C	S	.	.			trans	-99.3	108	163.1	-179.5	0	0	0	0	106.8	L393 H397 I435 L526 T530	L393-V437 HydrophobicContact CD2-CG2 3.81Å; H397-V437 WeakPolarHBondContact NE2-CG1 3.28Å; I435-V437 HydrophobicContact CG2-CG2 4.46Å; I435-V437 PolarHBondContact O-N 3.23Å; V437-L526 HydrophobicContact CG2-CB 4.39Å; V437-L526 HydrophobicContact CG2-CD2 4.06Å; V437-T530 WeakPolarHBondContact CB-OG1 3.25Å; V437-T530 VanDerWaalsContact CG1-OG1 3.27Å; V437-T530 WeakPolarHBondContact CG1-OG1 3.39Å
438	N	49.9	Very low	47	Very low	68 Å²	68	62 Å²	62	36%	0.364	32%	0.315	S	S	.	.			trans	-123.1	125.6	175.5	-161.4	-12.1	0	0	0	109.2	S440	N438-S440 VanDerWaalsContact C-N 3.27Å; N438-S440 VanDerWaalsContact CG-OG 3.27Å; N438-S440 PolarHBondContact ND2-OG 2.89Å; N438-S440 PolarHBondContact O-N 3.27Å; N438-S440 PolarHBondContact OD1-OG 3.44Å
439	N	47.2	Very low	47	Very low	69 Å²	69	63 Å²	63	37%	0.369	32%	0.315	S	S	.	.			trans	-82.1	10.1	-177.9	-87	-18.1	0	0	0	114.2	R441 P529 T530	N439-R441 PolarHBondContact O-N 3.24Å; N439-P529 VanDerWaalsContact ND2-CB 3.27Å; N439-P529 WeakPolarHBondContact ND2-CB 3.41Å; N439-P529 WeakPolarHBondContact OD1-CB 3.29Å; N439-T530 PolarHBondContact ND2-N 3.27Å; N439-T530 PolarHBondContact ND2-O 3.37Å
440	S	46.6	Very low	46.9	Very low	58 Å²	58	63.3 Å²	63.3	41%	0.406	31%	0.311	S	S	.	.	S	Bend	trans	-92.1	105.8	-171.9	46.7	0	0	0	0	112	N438	N438-S440 VanDerWaalsContact C-N 3.27Å; N438-S440 VanDerWaalsContact CG-OG 3.27Å; N438-S440 PolarHBondContact ND2-OG 2.89Å; N438-S440 PolarHBondContact O-N 3.27Å; N438-S440 PolarHBondContact OD1-OG 3.44Å
441	R	48.8	Very low	46.7	Very low	227 Å²	227	61.8 Å²	61.8	86%	0.857	31%	0.306	S	S	*	.			trans	26.7	127	166.2	-67.9	-174.3	-173.6	-178.7	2.4	116.8	N439 K443	N439-R441 PolarHBondContact O-N 3.24Å; R441-K443 PolarHBondContact O-N 2.95Å; R441-K443 VanDerWaalsContact O-N 3.1Å
442	Y	49.9	Very low	46.1	Very low	56 Å²	56	62.5 Å²	62.5	22%	0.22	32%	0.315	C	S	.	.			trans	-36.8	118.9	168.4	179.6	-97.6	0	0	0	111.6	L316 D317 L320 D398 L402	L316-Y442 HydrophobicContact CD2-CE2 4.12Å; D317-Y442 VanDerWaalsContact OD1-CE1 3.3Å; D317-Y442 WeakPolarHBondContact OD1-CE1 3.43Å; D317-Y442 VanDerWaalsContact OD1-CZ 3.31Å; D317-Y442 PolarHBondContact OD1-OH 3.37Å; L320-Y442 HydrophobicContact CD1-CD1 4.11Å; L320-Y442 HydrophobicContact CD1-CE1 3.73Å; L320-Y442 HydrophobicContact CD1-CE2 4.5Å; D398-Y442 HydrophobicContact CB-CD2 4.48Å; L402-Y442 HydrophobicContact CD1-CD2 3.52Å; L402-Y442 HydrophobicContact CD1-CE2 4.06Å; L402-Y442 HydrophobicContact CD1-CG 3.84Å; L402-Y442 HydrophobicContact CD2-CG 4.43Å
443	K	54.4	Low	45.5	Very low	69 Å²	69	64.3 Å²	64.3	30%	0.3	32%	0.323	S	S	.	.			trans	-93.2	131	174.5	-69.6	-174.1	-178.2	177.8	0	107.6	R441 D447 I448 T467	R441-K443 PolarHBondContact O-N 2.95Å; R441-K443 VanDerWaalsContact O-N 3.1Å; K443-D447 HydrophobicContact CB-CB 4.01Å; K443-I448 HydrophobicContact CB-CG1 4.25Å; K443-T467 HydrophobicContact CD-CG2 4.25Å
444	S	51.8	Low	44.6	Very low	40 Å²	40	70 Å²	70	28%	0.28	35%	0.354	S	S	.	.			trans	-56.5	152.7	177.9	70.8	0	0	0	0	110	E446 D447 I448	S444-E446 PolarHBondContact O-N 3.3Å; S444-D447 PolarHBondContact N-OD2 3.11Å; S444-D447 WeakPolarHBondContact O-CA 3.34Å; S444-D447 WeakPolarHBondContact O-CB 3.24Å; S444-D447 PolarHBondContact O-N 3.24Å; S444-D447 PolarHBondContact OG-N 3.47Å; S444-D447 PolarHBondContact OG-OD2 2.85Å; S444-I448 PolarHBondContact O-N 3.17Å
445	F	49.9	Very low	43.9	Very low	25 Å²	25	75.2 Å²	75.2	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-49.9	-35	174.2	169	-84.5	0	0	0	113	H310 L313 D317 I448 F449	H310-F445 AromaticContact CD2-CE2 3.69Å; H310-F445 AromaticContact CD2-CZ 3.64Å; H310-F445 AromaticContact CE1-CE1 3.54Å; H310-F445 AromaticContact CE1-CE2 3.13Å; H310-F445 WeakPolarHBondContact CE1-CE2 3.42Å; H310-F445 AromaticContact CE1-CZ 2.88Å; H310-F445 WeakPolarHBondContact CE1-CZ 3.48Å; H310-F445 AromaticContact CG-CE2 3.64Å; H310-F445 AromaticContact ND1-CE2 3.3Å; H310-F445 VanDerWaalsContact ND1-CE2 3.3Å; H310-F445 WeakPolarHBondContact ND1-CE2 3.43Å; H310-F445 AromaticContact ND1-CZ 3.59Å; H310-F445 AromaticContact NE2-CE1 3.82Å; H310-F445 AromaticContact NE2-CE2 3.43Å; H310-F445 WeakPolarHBondContact NE2-CE2 3.36Å; H310-F445 AromaticContact NE2-CZ 2.94Å; H310-F445 WeakPolarHBondContact NE2-CZ 3.45Å; L313-F445 HydrophobicContact CB-CD2 4.2Å; D317-F445 PolarHBondContact OD1-N 2.95Å; D317-F445 VanDerWaalsContact OD1-N 3.07Å; D317-F445 WeakPolarHBondContact OD2-CB 3.25Å; D317-F445 PolarHBondContact OD2-N 3.14Å; F445-I448 PolarHBondContact O-N 3.12Å; F445-F449 HydrophobicContact CD2-CD2 4.14Å; F445-F449 AromaticContact CD2-CE2 3.96Å; F445-F449 HydrophobicContact CD2-CE2 3.96Å; F445-F449 HydrophobicContact CE1-CD2 4.01Å; F445-F449 HydrophobicContact CE1-CE2 4.39Å; F445-F449 AromaticContact CE2-CD2 3.54Å; F445-F449 HydrophobicContact CE2-CD2 3.54Å; F445-F449 AromaticContact CE2-CE2 3.15Å; F445-F449 HydrophobicContact CE2-CE2 3.15Å; F445-F449 HydrophobicContact CE2-CZ 4.01Å; F445-F449 AromaticContact CZ-CD2 3.35Å; F445-F449 HydrophobicContact CZ-CD2 3.35Å; F445-F449 AromaticContact CZ-CE2 3.33Å; F445-F449 HydrophobicContact CZ-CE2 3.33Å; F445-F449 HydrophobicContact CZ-CG 4.07Å; F445-F449 HydrophobicContact CZ-CZ 4.03Å; F445-F449 WeakPolarHBondContact O-CD2 3.39Å; F445-F449 PolarHBondContact O-N 3.06Å
446	E	48.4	Very low	42.8	Very low	112 Å²	112	79.2 Å²	79.2	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-67.1	-39.7	175.8	-67.6	-167.1	174.1	0	0	112.6	S444 I448 F449 K450	S444-E446 PolarHBondContact O-N 3.3Å; E446-I448 VanDerWaalsContact C-N 3.29Å; E446-I448 PolarHBondContact O-N 3.05Å; E446-F449 CarbonylContact O-C 3.58Å; E446-F449 PolarHBondContact O-N 3.1Å; E446-F449 VanDerWaalsContact O-N 3.08Å; E446-K450 HydrophobicContact CB-CD 4.25Å; E446-K450 VanDerWaalsContact O-CB 3.25Å; E446-K450 WeakPolarHBondContact O-CB 3.46Å; E446-K450 WeakPolarHBondContact O-CG 3.29Å; E446-K450 PolarHBondContact O-N 3.17Å; E446-K450 IonicContact OE2-NZ 3.67Å; E446-K450 PolarHBondContact OE2-NZ 3.43Å
447	D	49.4	Very low	41.8	Very low	86 Å²	86	84.8 Å²	84.8	46%	0.46	45%	0.45	S	S	.	.	H	α-helix	trans	-68.2	-32.2	176.5	-61.3	-40.7	0	0	0	111.8	K443 S444 F449	K443-D447 HydrophobicContact CB-CB 4.01Å; S444-D447 PolarHBondContact N-OD2 3.11Å; S444-D447 WeakPolarHBondContact O-CA 3.34Å; S444-D447 WeakPolarHBondContact O-CB 3.24Å; S444-D447 PolarHBondContact O-N 3.24Å; S444-D447 PolarHBondContact OG-N 3.47Å; S444-D447 PolarHBondContact OG-OD2 2.85Å; D447-F449 PolarHBondContact O-N 3.39Å
448	I	46.4	Very low	40.4	Very low	39 Å²	39	89.6 Å²	89.6	20%	0.2	48%	0.484	C	S	.	.	H	α-helix	trans	-61.6	-33.3	172	-64	172.4	0	0	0	109.9	F383 K443 S444 F445 E446 R469	F383-I448 HydrophobicContact CE2-CG2 4.46Å; K443-I448 HydrophobicContact CB-CG1 4.25Å; S444-I448 PolarHBondContact O-N 3.17Å; F445-I448 PolarHBondContact O-N 3.12Å; E446-I448 VanDerWaalsContact C-N 3.29Å; E446-I448 PolarHBondContact O-N 3.05Å; I448-R469 WeakPolarHBondContact O-CD 3.29Å; I448-R469 PolarHBondContact O-NE 3.2Å; I448-R469 PolarHBondContact O-NH1 3.47Å
449	F	38.1	Very low	39.2	Very low	46 Å²	46	92.1 Å²	92.1	20%	0.202	50%	0.501	C	S	.	.	H	α-helix	trans	-105.1	-22.6	-174	-82.2	-94.6	0	0	0	116.4	F383 F445 E446 D447 S452	F383-F449 HydrophobicContact CD2-CE2 4.4Å; F383-F449 AromaticContact CD2-CZ 3.89Å; F383-F449 HydrophobicContact CD2-CZ 3.89Å; F383-F449 AromaticContact CE2-CE2 3.73Å; F383-F449 HydrophobicContact CE2-CE2 3.73Å; F383-F449 AromaticContact CE2-CZ 3.69Å; F383-F449 HydrophobicContact CE2-CZ 3.69Å; F445-F449 HydrophobicContact CD2-CD2 4.14Å; F445-F449 AromaticContact CD2-CE2 3.96Å; F445-F449 HydrophobicContact CD2-CE2 3.96Å; F445-F449 HydrophobicContact CE1-CD2 4.01Å; F445-F449 HydrophobicContact CE1-CE2 4.39Å; F445-F449 AromaticContact CE2-CD2 3.54Å; F445-F449 HydrophobicContact CE2-CD2 3.54Å; F445-F449 AromaticContact CE2-CE2 3.15Å; F445-F449 HydrophobicContact CE2-CE2 3.15Å; F445-F449 HydrophobicContact CE2-CZ 4.01Å; F445-F449 AromaticContact CZ-CD2 3.35Å; F445-F449 HydrophobicContact CZ-CD2 3.35Å; F445-F449 AromaticContact CZ-CE2 3.33Å; F445-F449 HydrophobicContact CZ-CE2 3.33Å; F445-F449 HydrophobicContact CZ-CG 4.07Å; F445-F449 HydrophobicContact CZ-CZ 4.03Å; F445-F449 WeakPolarHBondContact O-CD2 3.39Å; F445-F449 PolarHBondContact O-N 3.06Å; E446-F449 CarbonylContact O-C 3.58Å; E446-F449 PolarHBondContact O-N 3.1Å; E446-F449 VanDerWaalsContact O-N 3.08Å; D447-F449 PolarHBondContact O-N 3.39Å; F449-S452 WeakPolarHBondContact O-CB 3.34Å; F449-S452 PolarHBondContact O-OG 3.43Å
450	K	38.1	Very low	38.1	Very low	138 Å²	138	95.5 Å²	95.5	60%	0.6	52%	0.519	S	S	*	.	H	α-helix	trans	-78.4	-13.5	-174.9	-84.2	176	174.6	165.8	0	115.2	E446 S452	E446-K450 HydrophobicContact CB-CD 4.25Å; E446-K450 VanDerWaalsContact O-CB 3.25Å; E446-K450 WeakPolarHBondContact O-CB 3.46Å; E446-K450 WeakPolarHBondContact O-CG 3.29Å; E446-K450 PolarHBondContact O-N 3.17Å; E446-K450 IonicContact OE2-NZ 3.67Å; E446-K450 PolarHBondContact OE2-NZ 3.43Å; K450-S452 PolarHBondContact O-N 3.04Å
451	S	35.7	Very low	37.1	Very low	51 Å²	51	100.7 Å²	100.7	36%	0.357	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	21.4	172.2	58.9	0	0	0	0	114.1
452	S	30.9	Very low	36.1	Very low	59 Å²	59	98.4 Å²	98.4	41%	0.413	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	12.3	-171.1	55.1	0	0	0	0	115.2	F449 K450	F449-S452 WeakPolarHBondContact O-CB 3.34Å; F449-S452 PolarHBondContact O-OG 3.43Å; K450-S452 PolarHBondContact O-N 3.04Å
453	V	27.1	Very low	35	Very low	114 Å²	114	101.8 Å²	101.8	69%	0.691	56%	0.562	S	S	*	*			trans	-139.7	94.6	-176.7	-171.5	0	0	0	0	109.8
454	D	28.1	Very low	34	Very low	141 Å²	141	104.4 Å²	104.4	75%	0.754	59%	0.586	S	S	*	*			trans	175.5	102.8	145.5	-86.4	-19.8	0	0	0	110.6	S456	D454-S456 PolarHBondContact O-N 3.43Å
455	P	28.9	Very low	33.2	Very low	135 Å²	135	106 Å²	106	88%	0.877	60%	0.598	S	S	*	*			trans	-91.5	22.2	-174.5	35.2	-33.3	0	0	0	114.8
456	S	28.9	Very low	32.7	Very low	90 Å²	90	106.6 Å²	106.6	63%	0.629	60%	0.604	S	S	*	*			trans	-128.2	9.5	-163.4	64.3	0	0	0	0	118.7	D454	D454-S456 PolarHBondContact O-N 3.43Å
457	N	26.8	Very low	32.5	Very low	157 Å²	157	102.2 Å²	102.2	84%	0.84	59%	0.585	S	S	*	*			trans	-110.4	98.7	175.9	-76.8	-12.8	0	0	0	111.9
458	S	24.4	Very low	32	Very low	102 Å²	102	101.6 Å²	101.6	71%	0.713	59%	0.587	S	S	*	*			trans	-54.7	165.7	145.9	50.6	0	0	0	0	109.8
459	V	23.7	Very low	31.8	Very low	120 Å²	120	101 Å²	101	73%	0.727	58%	0.583	S	S	*	*			trans	107.4	104.7	167.2	-172.5	0	0	0	0	115.1
460	N	24.2	Very low	32	Very low	140 Å²	140	102 Å²	102	75%	0.749	59%	0.588	S	S	*	*				39.3	136.8	128.5	-54.1	-25.4	0	0	0	120.7
461	L	24.9	Very low	32.2	Very low	168 Å²	168	97.5 Å²	97.5	88%	0.88	57%	0.57	S	S	*	*			trans	91.5	122	153.4	-62.8	150.2	0	0	0	117.4	H463	L461-H463 PolarHBondContact O-N 3.29Å
462	I	27.3	Very low	32.4	Very low	179 Å²	179	96.8 Å²	96.8	92%	0.918	57%	0.567	S	S	*	*			trans	-52.3	102.2	171.1	-60.7	160.4	0	0	0	108.7
463	H	28.3	Very low	33	Very low	127 Å²	127	97 Å²	97	59%	0.588	57%	0.569	S	S	*	*			trans	-104.6	131.2	170.2	-162.2	-91	0	0	0	109.7	L461 S465 C466	L461-H463 PolarHBondContact O-N 3.29Å; H463-S465 PolarHBondContact ND1-OG 2.9Å; H463-S465 PolarHBondContact O-N 3.39Å; H463-C466 PolarHBondContact O-N 3.45Å
464	P	32.6	Very low	33.6	Very low	123 Å²	123	97.3 Å²	97.3	80%	0.799	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	10.4	-174.5	26.8	-34	0	0	0	115.1
465	S	34.4	Very low	34.1	Very low	75 Å²	75	93.4 Å²	93.4	52%	0.524	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-2.5	177.4	64.5	0	0	0	0	114.2	H463 T467	H463-S465 PolarHBondContact ND1-OG 2.9Å; H463-S465 PolarHBondContact O-N 3.39Å; S465-T467 PolarHBondContact O-N 2.81Å
466	C	39.4	Very low	34.8	Very low	36 Å²	36	89.8 Å²	89.8	24%	0.243	52%	0.515	C	S	.	.			trans	-69.9	125.2	-170.6	-154.6	0	0	0	0	111.8	H463 E470	H463-C466 PolarHBondContact O-N 3.45Å; C466-E470 WeakPolarHBondContact CA-OE2 3.39Å; C466-E470 VanDerWaalsContact SG-CB 3.56Å
467	T	44	Very low	35.5	Very low	20 Å²	20	87.6 Å²	87.6	12%	0.123	50%	0.502	C	S	.	.			trans	-72.8	152.5	179.6	69.5	0	0	0	0	110.7	K443 S465 R469 E470 L471	K443-T467 HydrophobicContact CD-CG2 4.25Å; S465-T467 PolarHBondContact O-N 2.81Å; T467-R469 PolarHBondContact O-N 3.26Å; T467-E470 PolarHBondContact N-OE2 2.95Å; T467-E470 PolarHBondContact O-N 3Å; T467-E470 VanDerWaalsContact O-N 3.12Å; T467-E470 WeakPolarHBondContact OG1-CB 2.98Å; T467-E470 VanDerWaalsContact OG1-CD 3.26Å; T467-E470 VanDerWaalsContact OG1-CG 3.24Å; T467-E470 WeakPolarHBondContact OG1-CG 3.28Å; T467-E470 PolarHBondContact OG1-N 3.25Å; T467-E470 PolarHBondContact OG1-OE2 3.3Å; T467-L471 PolarHBondContact O-N 2.94Å
468	S	40.9	Very low	36	Very low	73 Å²	73	86.2 Å²	86.2	51%	0.51	49%	0.491	S	S	.	.	H	α-helix	trans	-55.4	-25.7	173.7	54.8	0	0	0	0	112.8	A472	S468-A472 VanDerWaalsContact O-CB 3.27Å; S468-A472 WeakPolarHBondContact O-CB 3.44Å; S468-A472 PolarHBondContact O-N 3.14Å
469	R	41.3	Very low	36.4	Very low	26 Å²	26	82.3 Å²	82.3	10%	0.098	47%	0.465	C	S	.	.	H	α-helix	trans	-78.1	-42.6	176.4	-172.6	172.9	-175.9	139.7	3.4	113.4	N380 V382 I448 T467 L471 A472 S473	N380-R469 PolarHBondContact O-NH2 2.99Å; V382-R469 HydrophobicContact CG1-CG 4.25Å; V382-R469 HydrophobicContact CG2-CG 4.18Å; I448-R469 WeakPolarHBondContact O-CD 3.29Å; I448-R469 PolarHBondContact O-NE 3.2Å; I448-R469 PolarHBondContact O-NH1 3.47Å; T467-R469 PolarHBondContact O-N 3.26Å; R469-L471 VanDerWaalsContact C-N 3.29Å; R469-A472 PolarHBondContact O-N 3.18Å; R469-S473 WeakPolarHBondContact O-CB 3.46Å; R469-S473 PolarHBondContact O-N 3.05Å; R469-S473 PolarHBondContact O-OG 3.33Å
470	E	43	Very low	37.1	Very low	68 Å²	68	80.5 Å²	80.5	32%	0.318	45%	0.454	S	S	.	.	H	α-helix	trans	-63.3	-40	172.8	-76.5	158.1	-170	0	0	110.5	C466 T467 S473 M474	C466-E470 WeakPolarHBondContact CA-OE2 3.39Å; C466-E470 VanDerWaalsContact SG-CB 3.56Å; T467-E470 PolarHBondContact N-OE2 2.95Å; T467-E470 PolarHBondContact O-N 3Å; T467-E470 VanDerWaalsContact O-N 3.12Å; T467-E470 WeakPolarHBondContact OG1-CB 2.98Å; T467-E470 VanDerWaalsContact OG1-CD 3.26Å; T467-E470 VanDerWaalsContact OG1-CG 3.24Å; T467-E470 WeakPolarHBondContact OG1-CG 3.28Å; T467-E470 PolarHBondContact OG1-N 3.25Å; T467-E470 PolarHBondContact OG1-OE2 3.3Å; E470-S473 VanDerWaalsContact CA-OG 3.3Å; E470-S473 WeakPolarHBondContact CA-OG 3.45Å; E470-S473 PolarHBondContact O-N 3.29Å; E470-S473 PolarHBondContact O-OG 2.93Å; E470-M474 WeakPolarHBondContact O-CB 3.3Å; E470-M474 VanDerWaalsContact O-CG 3.25Å; E470-M474 WeakPolarHBondContact O-CG 3.21Å; E470-M474 PolarHBondContact O-N 3.22Å
471	L	40.8	Very low	37.6	Very low	44 Å²	44	80.2 Å²	80.2	23%	0.23	45%	0.449	C	S	.	.	H	α-helix	trans	-70.2	-44.6	177.4	-137.2	162.2	0	0	0	111.2	F436 T467 R469 S473 M474 M475	F436-L471 HydrophobicContact CD1-CD1 4.1Å; F436-L471 HydrophobicContact CE1-CD1 3.36Å; F436-L471 HydrophobicContact CE1-CD2 4.07Å; F436-L471 HydrophobicContact CE1-CG 4.19Å; F436-L471 HydrophobicContact CE2-CB 3.95Å; F436-L471 HydrophobicContact CE2-CD1 4.07Å; F436-L471 HydrophobicContact CE2-CD2 3.57Å; F436-L471 HydrophobicContact CE2-CG 4.04Å; F436-L471 HydrophobicContact CZ-CB 4.09Å; F436-L471 HydrophobicContact CZ-CD1 3.37Å; F436-L471 HydrophobicContact CZ-CD2 3.16Å; F436-L471 HydrophobicContact CZ-CG 3.66Å; T467-L471 PolarHBondContact O-N 2.94Å; R469-L471 VanDerWaalsContact C-N 3.29Å; L471-S473 VanDerWaalsContact C-N 3.33Å; L471-S473 PolarHBondContact O-N 3.45Å; L471-M474 PolarHBondContact O-N 3.16Å; L471-M475 HydrophobicContact CD2-CG 3.76Å; L471-M475 HydrophobicContact CD2-SD 3.39Å; L471-M475 WeakPolarHBondContact CD2-SD 3.45Å; L471-M475 WeakPolarHBondContact O-CB 3.21Å; L471-M475 WeakPolarHBondContact O-CG 3.22Å; L471-M475 PolarHBondContact O-N 3.15Å
472	A	41.4	Very low	38	Very low	35 Å²	35	76 Å²	76	29%	0.289	43%	0.433	S	S	.	.	H	α-helix	trans	-58.1	-42.3	173.5	0	0	0	0	0	112.6	S468 R469 M475 I476	S468-A472 VanDerWaalsContact O-CB 3.27Å; S468-A472 WeakPolarHBondContact O-CB 3.44Å; S468-A472 PolarHBondContact O-N 3.14Å; R469-A472 PolarHBondContact O-N 3.18Å; A472-M475 PolarHBondContact O-N 3.04Å; A472-I476 WeakPolarHBondContact O-CD1 3.47Å; A472-I476 WeakPolarHBondContact O-CG1 3.28Å; A472-I476 PolarHBondContact O-N 2.95Å
473	S	43.2	Very low	38.4	Very low	65 Å²	65	71.9 Å²	71.9	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-68.1	-38.2	177.8	45.2	0	0	0	0	113	R469 E470 L471 M475 I476 A477	R469-S473 WeakPolarHBondContact O-CB 3.46Å; R469-S473 PolarHBondContact O-N 3.05Å; R469-S473 PolarHBondContact O-OG 3.33Å; E470-S473 VanDerWaalsContact CA-OG 3.3Å; E470-S473 WeakPolarHBondContact CA-OG 3.45Å; E470-S473 PolarHBondContact O-N 3.29Å; E470-S473 PolarHBondContact O-OG 2.93Å; L471-S473 VanDerWaalsContact C-N 3.33Å; L471-S473 PolarHBondContact O-N 3.45Å; S473-M475 VanDerWaalsContact C-N 3.29Å; S473-M475 PolarHBondContact O-N 2.91Å; S473-I476 PolarHBondContact O-N 3.01Å; S473-A477 PolarHBondContact O-N 3.02Å
474	M	38.7	Very low	38.6	Very low	120 Å²	120	73 Å²	73	59%	0.591	43%	0.43	S	S	*	.	H	α-helix	trans	-61.2	-37.3	169.5	-74.4	177.5	63.7	0	0	112.4	E470 L471 A477 Q478	E470-M474 WeakPolarHBondContact O-CB 3.3Å; E470-M474 VanDerWaalsContact O-CG 3.25Å; E470-M474 WeakPolarHBondContact O-CG 3.21Å; E470-M474 PolarHBondContact O-N 3.22Å; L471-M474 PolarHBondContact O-N 3.16Å; M474-A477 WeakPolarHBondContact O-CB 3.38Å; M474-A477 PolarHBondContact O-N 3.2Å; M474-Q478 PolarHBondContact O-N 3.5Å
475	M	39.1	Very low	38.5	Very low	58 Å²	58	74.1 Å²	74.1	29%	0.286	43%	0.428	S	S	.	.	H	α-helix	trans	-77.4	-32	-179.1	-65.4	-167.3	98.6	0	0	113	I434 F436 L471 A472 S473 A477 Q478 A479	I434-M475 HydrophobicContact CB-SD 4.4Å; I434-M475 HydrophobicContact CD1-CE 2.91Å; I434-M475 HydrophobicContact CD1-SD 3.1Å; I434-M475 WeakPolarHBondContact CD1-SD 3.49Å; I434-M475 HydrophobicContact CG1-CE 4.38Å; I434-M475 HydrophobicContact CG1-SD 4.3Å; I434-M475 HydrophobicContact CG2-SD 4.35Å; F436-M475 HydrophobicContact CE2-SD 4.26Å; F436-M475 HydrophobicContact CZ-SD 4.24Å; L471-M475 HydrophobicContact CD2-CG 3.76Å; L471-M475 HydrophobicContact CD2-SD 3.39Å; L471-M475 WeakPolarHBondContact CD2-SD 3.45Å; L471-M475 WeakPolarHBondContact O-CB 3.21Å; L471-M475 WeakPolarHBondContact O-CG 3.22Å; L471-M475 PolarHBondContact O-N 3.15Å; A472-M475 PolarHBondContact O-N 3.04Å; S473-M475 VanDerWaalsContact C-N 3.29Å; S473-M475 PolarHBondContact O-N 2.91Å; M475-A477 VanDerWaalsContact C-N 3.32Å; M475-Q478 PolarHBondContact O-N 3.26Å; M475-A479 VanDerWaalsContact O-CB 3.3Å; M475-A479 WeakPolarHBondContact O-CB 3.24Å; M475-A479 PolarHBondContact O-N 2.97Å
476	I	43.5	Very low	38.1	Very low	60 Å²	60	78.3 Å²	78.3	31%	0.308	45%	0.445	S	S	.	.	H	α-helix	trans	-61.6	-43.2	166.8	-70.4	152	0	0	0	110.1	A472 S473 A479 T480	A472-I476 WeakPolarHBondContact O-CD1 3.47Å; A472-I476 WeakPolarHBondContact O-CG1 3.28Å; A472-I476 PolarHBondContact O-N 2.95Å; S473-I476 PolarHBondContact O-N 3.01Å; I476-A479 PolarHBondContact O-N 2.6Å; I476-T480 WeakPolarHBondContact O-CG2 3.16Å; I476-T480 PolarHBondContact O-N 2.91Å; I476-T480 PolarHBondContact O-OG1 3.19Å
477	A	43.5	Very low	37.5	Very low	44 Å²	44	81.6 Å²	81.6	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-65.3	-40.4	177.6	0	0	0	0	0	112.4	S473 M474 M475 T480 Q481	S473-A477 PolarHBondContact O-N 3.02Å; M474-A477 WeakPolarHBondContact O-CB 3.38Å; M474-A477 PolarHBondContact O-N 3.2Å; M475-A477 VanDerWaalsContact C-N 3.32Å; A477-T480 WeakPolarHBondContact CA-OG1 3.25Å; A477-T480 PolarHBondContact O-N 2.96Å; A477-T480 PolarHBondContact O-OG1 3.34Å; A477-Q481 WeakPolarHBondContact O-CG 3.43Å; A477-Q481 PolarHBondContact O-N 2.83Å
478	Q	37.1	Very low	36.9	Very low	127 Å²	127	87.1 Å²	87.1	59%	0.593	50%	0.502	S	S	*	.	H	α-helix	trans	-66	-41.9	173.8	-92	-175.7	-27.1	0	0	113	M474 M475 T480 Q481 S482	M474-Q478 PolarHBondContact O-N 3.5Å; M475-Q478 PolarHBondContact O-N 3.26Å; Q478-T480 VanDerWaalsContact C-N 3.26Å; Q478-T480 PolarHBondContact O-N 3.28Å; Q478-Q481 PolarHBondContact O-N 2.94Å; Q478-S482 PolarHBondContact O-N 3.18Å
479	A	33.3	Very low	36.2	Very low	21 Å²	21	88.4 Å²	88.4	17%	0.174	51%	0.511	C	S	.	.	H	α-helix	trans	-66.1	-30.2	178.5	0	0	0	0	0	112.3	N430 M475 I476 S482	N430-A479 HydrophobicContact CB-CB 4.41Å; N430-A479 WeakPolarHBondContact ND2-CB 3.37Å; M475-A479 VanDerWaalsContact O-CB 3.3Å; M475-A479 WeakPolarHBondContact O-CB 3.24Å; M475-A479 PolarHBondContact O-N 2.97Å; I476-A479 PolarHBondContact O-N 2.6Å; A479-S482 PolarHBondContact O-OG 3.12Å
480	T	37.4	Very low	35.4	Very low	82 Å²	82	93 Å²	93	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-70.2	-29.6	170.2	52.1	0	0	0	0	113.1	I476 A477 Q478 S483	I476-T480 WeakPolarHBondContact O-CG2 3.16Å; I476-T480 PolarHBondContact O-N 2.91Å; I476-T480 PolarHBondContact O-OG1 3.19Å; A477-T480 WeakPolarHBondContact CA-OG1 3.25Å; A477-T480 PolarHBondContact O-N 2.96Å; A477-T480 PolarHBondContact O-OG1 3.34Å; Q478-T480 VanDerWaalsContact C-N 3.26Å; Q478-T480 PolarHBondContact O-N 3.28Å; T480-S483 PolarHBondContact O-OG 3.37Å
481	Q	34.7	Very low	34.8	Very low	134 Å²	134	95.8 Å²	95.8	63%	0.626	56%	0.564	S	S	*	*	H	α-helix	trans	-79.7	-27.6	178	-71.3	176.7	1.2	0	0	113.3	A477 Q478 S483	A477-Q481 WeakPolarHBondContact O-CG 3.43Å; A477-Q481 PolarHBondContact O-N 2.83Å; Q478-Q481 PolarHBondContact O-N 2.94Å; Q481-S483 PolarHBondContact O-N 3Å
482	S	34.3	Very low	34.3	Very low	78 Å²	78	101.6 Å²	101.6	55%	0.545	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-73.8	-11.7	176.3	65.7	0	0	0	0	114	Q478 A479 L484	Q478-S482 PolarHBondContact O-N 3.18Å; A479-S482 PolarHBondContact O-OG 3.12Å; S482-L484 VanDerWaalsContact C-N 3.28Å; S482-L484 PolarHBondContact O-N 3.37Å
483	S	34.5	Very low	33.8	Very low	94 Å²	94	106.7 Å²	106.7	66%	0.657	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-79.8	-0.4	179	70.9	0	0	0	0	115.1	T480 Q481	T480-S483 PolarHBondContact O-OG 3.37Å; Q481-S483 PolarHBondContact O-N 3Å
484	L	32.7	Very low	33	Very low	151 Å²	151	110 Å²	110	79%	0.791	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-114.4	5.8	-174.9	-80.6	159.6	0	0	0	114.8	S482	S482-L484 VanDerWaalsContact C-N 3.28Å; S482-L484 PolarHBondContact O-N 3.37Å
485	L	30.8	Very low	32.5	Very low	146 Å²	146	108.7 Å²	108.7	76%	0.764	63%	0.627	S	S	*	*			trans	-114	1.1	-172.1	-81.8	160.5	0	0	0	116.3	S487	L485-S487 PolarHBondContact O-N 3.36Å
486	D	26.8	Very low	32	Very low	162 Å²	162	111.8 Å²	111.8	87%	0.866	65%	0.649	S	S	*	*	S	Bend	trans	-98.7	66.2	177.2	-78	-22.6	0	0	0	112.5
487	S	27.4	Very low	31.2	Very low	105 Å²	105	113.7 Å²	113.7	73%	0.734	67%	0.668	S	S	*	*			trans	-180	92.6	150.3	57.1	0	0	0	0	111.2	L485	L485-S487 PolarHBondContact O-N 3.36Å
488	T	29.5	Very low	30.5	Very low	137 Å²	137	119.5 Å²	119.5	84%	0.84	69%	0.693	S	S	*	*			trans	173.3	101.3	139.2	43.3	0	0	0	0	111.4
489	S	27.7	Very low	29.9	Very low	99 Å²	99	122.3 Å²	122.3	69%	0.692	71%	0.706	S	S	*	*			trans	16.8	118.2	138	55.6	0	0	0	0	120.4
490	T	24.9	Very low	29.5	Very low	122 Å²	122	126.8 Å²	126.8	75%	0.748	73%	0.733	S	S	*	*				36.4	119.9	128.4	58.1	0	0	0	0	119.8
491	T	29.3	Very low	29	Very low	127 Å²	127	127.9 Å²	127.9	78%	0.779	74%	0.739	S	S	*	*				171.3	126.4	108.7	37.8	0	0	0	0	112.7
492	E	29.9	Very low	28.4	Very low	167 Å²	167	128.9 Å²	128.9	78%	0.78	75%	0.747	S	S	*	*			trans	61.8	112.4	135.3	-61.4	-172.1	175.2	0	0	123.8
493	L	30.4	Very low	28	Very low	142 Å²	142	134.4 Å²	134.4	74%	0.743	76%	0.758	S	S	*	*				74.3	140.3	119.5	-70	164.3	0	0	0	123.1
494	D	27.5	Very low	27.4	Very low	133 Å²	133	138.7 Å²	138.7	71%	0.711	77%	0.767	S	S	*	*			trans	94.8	93.7	149	-65.5	-11.3	0	0	0	122.1
495	S	29.1	Very low	27.1	Very low	93 Å²	93	137.3 Å²	137.3	65%	0.65	77%	0.765	S	S	*	*				71.1	114.1	118	78.5	0	0	0	0	119.7
496	T	27.6	Very low	27.1	Very low	124 Å²	124	136.1 Å²	136.1	76%	0.761	77%	0.767	S	S	*	*				152.3	128.3	106.1	45.8	0	0	0	0	112.1
497	S	26.9	Very low	27.2	Very low	100 Å²	100	137.6 Å²	137.6	70%	0.699	77%	0.768	S	S	*	*			trans	50.8	102.6	151.5	59.1	0	0	0	0	119.3
498	N	29.2	Very low	28	Very low	166 Å²	166	136.8 Å²	136.8	89%	0.888	76%	0.763	S	S	*	*				-168.6	135.6	120.4	-88.5	-25	0	0	0	109.6
499	E	24.4	Very low	28.9	Very low	185 Å²	185	133.5 Å²	133.5	86%	0.864	74%	0.744	S	S	*	*			trans	-51.5	133.7	-170	-61.9	173.8	144.6	0	0	114.2
500	P	25.5	Very low	30.2	Very low	116 Å²	116	138 Å²	138	75%	0.753	75%	0.753	S	S	*	*			trans	-88.4	112.2	165.5	32.7	-24.5	0	0	0	108.8	I502	P500-I502 PolarHBondContact O-N 3.46Å; P500-I502 VanDerWaalsContact O-N 3.14Å
501	V	25.5	Very low	32.1	Very low	104 Å²	104	133.6 Å²	133.6	63%	0.63	72%	0.724	S	S	*	*			trans	-59.2	114.4	158.8	177.7	0	0	0	0	106.9	Y503	V501-Y503 HydrophobicContact CB-CD2 4.2Å; V501-Y503 HydrophobicContact CB-CE2 3.9Å; V501-Y503 HydrophobicContact CG1-CD2 3.77Å; V501-Y503 HydrophobicContact CG1-CE2 3.37Å; V501-Y503 PolarHBondContact O-N 3.4Å
502	I	23.1	Very low	34.2	Very low	155 Å²	155	132 Å²	132	80%	0.795	71%	0.711	S	S	*	*			trans	-67	97.2	176.4	-59.3	170.6	0	0	0	107.2	P500	P500-I502 PolarHBondContact O-N 3.46Å; P500-I502 VanDerWaalsContact O-N 3.14Å
503	Y	25.1	Very low	36.3	Very low	195 Å²	195	125.4 Å²	125.4	77%	0.765	68%	0.679	S	S	*	*			trans	-91.8	110.5	161.1	-74.8	-80.6	0	0	0	107.4	V501 T505	V501-Y503 HydrophobicContact CB-CD2 4.2Å; V501-Y503 HydrophobicContact CB-CE2 3.9Å; V501-Y503 HydrophobicContact CG1-CD2 3.77Å; V501-Y503 HydrophobicContact CG1-CE2 3.37Å; V501-Y503 PolarHBondContact O-N 3.4Å; Y503-T505 PolarHBondContact O-N 3.23Å; Y503-T505 VanDerWaalsContact O-N 3.12Å
504	E	22.4	Very low	38.4	Very low	183 Å²	183	125.4 Å²	125.4	86%	0.855	68%	0.679	S	S	*	*			trans	-55.4	112.6	173	-69.5	175.6	162.1	0	0	109.9
505	T	25.8	Very low	41	Very low	122 Å²	122	122.1 Å²	122.1	75%	0.748	66%	0.662	S	S	*	*			trans	-65	133.4	169.6	42.9	0	0	0	0	109.6	Y503 E507	Y503-T505 PolarHBondContact O-N 3.23Å; Y503-T505 VanDerWaalsContact O-N 3.12Å; T505-E507 PolarHBondContact O-N 2.9Å
506	P	31.5	Very low	43.4	Very low	122 Å²	122	120.5 Å²	120.5	79%	0.792	65%	0.648	S	S	*	*			trans	-65	123.6	179	27.3	-31.2	0	0	0	109.1	S508	P506-S508 PolarHBondContact O-N 3.49Å
507	E	28.1	Very low	46	Very low	192 Å²	192	119.7 Å²	119.7	90%	0.897	64%	0.637	S	S	*	*			trans	-55	103	175.7	-65.5	179.9	162.1	0	0	110.1	T505	T505-E507 PolarHBondContact O-N 2.9Å
508	S	43.4	Very low	48.5	Very low	89 Å²	89	116 Å²	116	62%	0.622	61%	0.61	S	S	*	*			trans	-69.9	126.6	170	56	0	0	0	0	108.7	P506 Q510	P506-S508 PolarHBondContact O-N 3.49Å; S508-Q510 PolarHBondContact O-N 3.35Å
509	P	50	Low	51	Low	68 Å²	68	108.1 Å²	108.1	44%	0.442	57%	0.567	S	S	.	*			trans	-64	113.3	178.9	24.7	-31.6	0	0	0	109.8	F511 I524	P509-F511 PolarHBondContact O-N 2.81Å; P509-F511 VanDerWaalsContact O-N 3.1Å; P509-I524 HydrophobicContact CB-CD1 4.22Å; P509-I524 HydrophobicContact CG-CD1 3.75Å
510	Q	55.3	Low	53.7	Low	192 Å²	192	100.6 Å²	100.6	90%	0.897	53%	0.533	S	S	*	.			trans	-70.3	103.9	172.6	-72.8	-177.1	-6.2	0	0	108.9	S508	S508-Q510 PolarHBondContact O-N 3.35Å
511	F	64.4	Low	56.4	Low	30 Å²	30	103.5 Å²	103.5	13%	0.132	53%	0.529	C	S	.	.			trans	-82.7	124	175.5	-110	-110.6	0	0	0	110.6	P509 W513 L518 P523 I524	P509-F511 PolarHBondContact O-N 2.81Å; P509-F511 VanDerWaalsContact O-N 3.1Å; F511-W513 HydrophobicContact CB-CD2 4.24Å; F511-W513 HydrophobicContact CB-CH2 4.43Å; F511-W513 HydrophobicContact CB-CZ2 3.98Å; F511-W513 HydrophobicContact CD1-CE3 4.38Å; F511-W513 HydrophobicContact CD1-CH2 4.23Å; F511-W513 HydrophobicContact CD1-CZ3 4.09Å; F511-W513 HydrophobicContact CG-CH2 4.49Å; F511-W513 HydrophobicContact CG-CZ2 4.48Å; F511-W513 PolarHBondContact O-N 3.43Å; F511-W513 VanDerWaalsContact O-N 3.12Å; F511-L518 HydrophobicContact CD1-CD1 3.77Å; F511-L518 HydrophobicContact CE1-CD1 3.88Å; F511-L518 HydrophobicContact CE1-CD2 4.33Å; F511-P523 HydrophobicContact CE2-CG 4.43Å; F511-P523 HydrophobicContact CZ-CG 4.41Å; F511-I524 HydrophobicContact CD2-CD1 4.02Å; F511-I524 HydrophobicContact CE2-CB 4.32Å; F511-I524 HydrophobicContact CE2-CD1 3.26Å; F511-I524 HydrophobicContact CE2-CG1 3.68Å; F511-I524 HydrophobicContact CZ-CB 4.22Å; F511-I524 HydrophobicContact CZ-CD1 3.99Å; F511-I524 HydrophobicContact CZ-CG1 4.06Å
512	D	72.6	Confident	59.1	Low	94 Å²	94	99.1 Å²	99.1	50%	0.503	50%	0.503	S	S	.	.			trans	-78.7	92.6	167.6	-178.2	11.1	0	0	0	110	N514 N515 L518	D512-N514 PolarHBondContact O-N 3.3Å; D512-N514 PolarHBondContact OD1-N 3.14Å; D512-N515 HydrophobicContact CB-CB 4.35Å; D512-N515 PolarHBondContact O-N 2.85Å; D512-N515 VanDerWaalsContact O-N 3.11Å; D512-L518 VanDerWaalsContact O-CD1 3.28Å; D512-L518 WeakPolarHBondContact O-CD1 3.41Å
513	W	74.2	Confident	61.4	Low	29 Å²	29	97.2 Å²	97.2	11%	0.11	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-6.3	-178.6	-65.9	116.2	0	0	0	115	F511 I536 C537 P539 L544 W547 Q548 L552	F511-W513 HydrophobicContact CB-CD2 4.24Å; F511-W513 HydrophobicContact CB-CH2 4.43Å; F511-W513 HydrophobicContact CB-CZ2 3.98Å; F511-W513 HydrophobicContact CD1-CE3 4.38Å; F511-W513 HydrophobicContact CD1-CH2 4.23Å; F511-W513 HydrophobicContact CD1-CZ3 4.09Å; F511-W513 HydrophobicContact CG-CH2 4.49Å; F511-W513 HydrophobicContact CG-CZ2 4.48Å; F511-W513 PolarHBondContact O-N 3.43Å; F511-W513 VanDerWaalsContact O-N 3.12Å; W513-I536 HydrophobicContact CH2-CG2 4.02Å; W513-I536 HydrophobicContact CZ2-CG2 3.74Å; W513-C537 WeakPolarHBondContact CZ2-O 3.35Å; W513-C537 PolarHBondContact NE1-O 3.42Å; W513-P539 HydrophobicContact CB-CB 4.33Å; W513-P539 HydrophobicContact CG-CB 4.2Å; W513-P539 HydrophobicContact CG-CG 4.4Å; W513-L544 HydrophobicContact CE3-CD2 4.22Å; W513-L544 HydrophobicContact CH2-CD2 3.85Å; W513-L544 HydrophobicContact CZ2-CD2 4.32Å; W513-L544 HydrophobicContact CZ3-CD2 3.8Å; W513-W547 WeakPolarHBondContact O-CH2 3.27Å; W513-W547 WeakPolarHBondContact O-CZ2 3.36Å; W513-Q548 HydrophobicContact CE3-CB 4.07Å; W513-Q548 HydrophobicContact CE3-CG 3.94Å; W513-Q548 HydrophobicContact CZ3-CB 3.92Å; W513-Q548 HydrophobicContact CZ3-CG 4.32Å; W513-Q548 PolarHBondContact O-NE2 3.5Å; W513-Q548 VanDerWaalsContact O-NE2 3.13Å; W513-L552 HydrophobicContact CH2-CD1 4.44Å; W513-L552 HydrophobicContact CH2-CD2 3.95Å; W513-L552 HydrophobicContact CH2-CG 4.34Å
514	N	75.3	Confident	63.8	Low	141 Å²	141	88.9 Å²	88.9	75%	0.754	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-14.2	175.7	-65	-40.3	0	0	0	113	D512 T516	D512-N514 PolarHBondContact O-N 3.3Å; D512-N514 PolarHBondContact OD1-N 3.14Å; N514-T516 PolarHBondContact O-N 3.23Å; N514-T516 VanDerWaalsContact O-N 3.16Å
515	N	81.3	Confident	66.5	Low	65 Å²	65	81.3 Å²	81.3	35%	0.348	44%	0.435	S	S	.	.			trans	-80.4	98.9	-179	-173.7	-3.1	0	0	0	111.4	D512 M517 L518	D512-N515 HydrophobicContact CB-CB 4.35Å; D512-N515 PolarHBondContact O-N 2.85Å; D512-N515 VanDerWaalsContact O-N 3.11Å; N515-M517 PolarHBondContact O-N 3.24Å; N515-M517 VanDerWaalsContact O-N 3.15Å; N515-M517 VanDerWaalsContact OD1-CB 3.24Å; N515-M517 WeakPolarHBondContact OD1-CB 3.46Å; N515-M517 PolarHBondContact OD1-N 2.96Å; N515-L518 HydrophobicContact CB-CD1 4.24Å; N515-L518 HydrophobicContact CB-CG 4.25Å; N515-L518 WeakPolarHBondContact O-CB 3.45Å; N515-L518 WeakPolarHBondContact O-CG 3.39Å; N515-L518 PolarHBondContact O-N 3.06Å
516	T	80.4	Confident	69.1	Low	58 Å²	58	75.5 Å²	75.5	36%	0.356	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23.2	179.1	56	0	0	0	0	113.2	N514 L518 A519 P584 W601	N514-T516 PolarHBondContact O-N 3.23Å; N514-T516 VanDerWaalsContact O-N 3.16Å; T516-L518 PolarHBondContact O-N 3.36Å; T516-L518 VanDerWaalsContact O-N 3.16Å; T516-A519 VanDerWaalsContact O-CB 3.27Å; T516-A519 WeakPolarHBondContact O-CB 3.28Å; T516-A519 PolarHBondContact O-N 3.44Å; T516-P584 HydrophobicContact CG2-CB 4.19Å; T516-P584 HydrophobicContact CG2-CG 4.44Å; T516-W601 WeakPolarHBondContact O-CH2 3.17Å
517	M	81.6	Confident	71.4	Confident	107 Å²	107	70.1 Å²	70.1	53%	0.527	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20	179.7	-62.4	-63	-74.4	0	0	113.2	N515 A519 L520 R521	N515-M517 PolarHBondContact O-N 3.24Å; N515-M517 VanDerWaalsContact O-N 3.15Å; N515-M517 VanDerWaalsContact OD1-CB 3.24Å; N515-M517 WeakPolarHBondContact OD1-CB 3.46Å; N515-M517 PolarHBondContact OD1-N 2.96Å; M517-A519 PolarHBondContact O-N 3.45Å; M517-L520 HydrophobicContact CE-CD1 3.61Å; M517-L520 WeakPolarHBondContact O-CB 3.46Å; M517-L520 PolarHBondContact O-N 2.94Å; M517-L520 HydrophobicContact SD-CD1 4.16Å; M517-R521 PolarHBondContact O-N 3.16Å
518	L	80.1	Confident	73.6	Confident	24 Å²	24	64.2 Å²	64.2	13%	0.126	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.9	-23.6	172	-65.8	173	0	0	0	112.5	F511 D512 N515 T516 L520 R521 A551	F511-L518 HydrophobicContact CD1-CD1 3.77Å; F511-L518 HydrophobicContact CE1-CD1 3.88Å; F511-L518 HydrophobicContact CE1-CD2 4.33Å; D512-L518 VanDerWaalsContact O-CD1 3.28Å; D512-L518 WeakPolarHBondContact O-CD1 3.41Å; N515-L518 HydrophobicContact CB-CD1 4.24Å; N515-L518 HydrophobicContact CB-CG 4.25Å; N515-L518 WeakPolarHBondContact O-CB 3.45Å; N515-L518 WeakPolarHBondContact O-CG 3.39Å; N515-L518 PolarHBondContact O-N 3.06Å; T516-L518 PolarHBondContact O-N 3.36Å; T516-L518 VanDerWaalsContact O-N 3.16Å; L518-L520 VanDerWaalsContact C-N 3.31Å; L518-R521 CarbonylContact O-C 3.5Å; L518-A551 HydrophobicContact CB-CB 3.77Å; L518-A551 WeakPolarHBondContact O-CB 3.23Å
519	A	80.3	Confident	74.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-69.7	-25.7	173.3	0	0	0	0	0	112.9	T516 M517 W547 L550 G555 L556 P584 W601	T516-A519 VanDerWaalsContact O-CB 3.27Å; T516-A519 WeakPolarHBondContact O-CB 3.28Å; T516-A519 PolarHBondContact O-N 3.44Å; M517-A519 PolarHBondContact O-N 3.45Å; A519-W547 HydrophobicContact CB-CB 4.32Å; A519-W547 HydrophobicContact CB-CE3 4.28Å; A519-L550 HydrophobicContact CB-CD2 4.44Å; A519-G555 CarbonylContact O-C 3.56Å; A519-G555 WeakPolarHBondContact O-CA 3.38Å; A519-L556 PolarHBondContact O-N 3.04Å; A519-P584 HydrophobicContact CB-CG 3.88Å; A519-W601 HydrophobicContact CB-CH2 3.98Å; A519-W601 HydrophobicContact CB-CZ3 3.8Å
520	L	81.5	Confident	75.4	Confident	27 Å²	27	61.9 Å²	61.9	14%	0.141	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-55.1	172.2	-69.5	179.6	0	0	0	110.3	M517 L518 L556 Y557 W601 E604	M517-L520 HydrophobicContact CE-CD1 3.61Å; M517-L520 WeakPolarHBondContact O-CB 3.46Å; M517-L520 PolarHBondContact O-N 2.94Å; M517-L520 HydrophobicContact SD-CD1 4.16Å; L518-L520 VanDerWaalsContact C-N 3.31Å; L520-L556 PolarHBondContact O-N 3.06Å; L520-L556 VanDerWaalsContact O-N 3.09Å; L520-Y557 HydrophobicContact CB-CD2 4.31Å; L520-Y557 HydrophobicContact CD2-CE2 4.4Å; L520-Y557 WeakPolarHBondContact O-CD2 3.38Å; L520-Y557 PolarHBondContact O-N 2.77Å; L520-W601 HydrophobicContact CB-CZ3 4.36Å; L520-W601 HydrophobicContact CD1-CZ3 4.33Å; L520-W601 HydrophobicContact CD2-CE3 3.74Å; L520-W601 HydrophobicContact CD2-CH2 4.32Å; L520-W601 HydrophobicContact CD2-CZ3 3.39Å; L520-W601 HydrophobicContact CG-CE3 4.19Å; L520-W601 HydrophobicContact CG-CH2 3.84Å; L520-W601 HydrophobicContact CG-CZ3 3.36Å; L520-E604 HydrophobicContact CD2-CB 4.32Å; L520-E604 HydrophobicContact CD2-CG 4.04Å
521	R	83.2	Confident	75.4	Confident	176 Å²	176	60.4 Å²	60.4	66%	0.664	32%	0.318	S	S	*	.			trans	-147.1	126.6	-178	-168.1	174.7	-172	173.4	4.3	109.2	M517 L518	M517-R521 PolarHBondContact O-N 3.16Å; L518-R521 CarbonylContact O-C 3.5Å
522	S	81.3	Confident	74.9	Confident	13 Å²	13	66.9 Å²	66.9	9%	0.091	35%	0.346	C	S	.	.			trans	-118.9	154.8	173	71.1	0	0	0	0	110.5	I524 A551 G554 G555	S522-I524 VanDerWaalsContact C-N 3.25Å; S522-I524 PolarHBondContact O-N 2.96Å; S522-I524 PolarHBondContact OG-O 3.02Å; S522-A551 WeakPolarHBondContact CB-O 3.47Å; S522-A551 PolarHBondContact OG-O 2.89Å; S522-G554 PolarHBondContact N-O 2.84Å; S522-G554 VanDerWaalsContact N-O 3.08Å; S522-G554 WeakPolarHBondContact OG-CA 3.45Å; S522-G554 PolarHBondContact OG-N 3.27Å; S522-G554 PolarHBondContact OG-O 3.06Å; S522-G555 PolarHBondContact OG-N 3.13Å
523	P	72.2	Confident	74.1	Confident	115 Å²	115	66.4 Å²	66.4	75%	0.747	35%	0.348	S	S	*	.	S	Bend	trans	-77	-13.4	177.4	30.7	-34.6	0	0	0	112.9	F511	F511-P523 HydrophobicContact CE2-CG 4.43Å; F511-P523 HydrophobicContact CZ-CG 4.41Å
524	I	75.5	Confident	73.5	Confident	19 Å²	19	67 Å²	67	10%	0.097	35%	0.353	C	S	.	.			trans	-108.4	130.3	-178.7	-61	-174.4	0	0	0	109	P509 F511 S522 L526 I536 G554	P509-I524 HydrophobicContact CB-CD1 4.22Å; P509-I524 HydrophobicContact CG-CD1 3.75Å; F511-I524 HydrophobicContact CD2-CD1 4.02Å; F511-I524 HydrophobicContact CE2-CB 4.32Å; F511-I524 HydrophobicContact CE2-CD1 3.26Å; F511-I524 HydrophobicContact CE2-CG1 3.68Å; F511-I524 HydrophobicContact CZ-CB 4.22Å; F511-I524 HydrophobicContact CZ-CD1 3.99Å; F511-I524 HydrophobicContact CZ-CG1 4.06Å; S522-I524 VanDerWaalsContact C-N 3.25Å; S522-I524 PolarHBondContact O-N 2.96Å; S522-I524 PolarHBondContact OG-O 3.02Å; I524-L526 HydrophobicContact CG2-CD2 3.83Å; I524-L526 HydrophobicContact CG2-CG 3.98Å; I524-I536 HydrophobicContact CD1-CD1 4.28Å; I524-I536 HydrophobicContact CG2-CD1 4.41Å; I524-G554 VanDerWaalsContact O-CA 3.26Å; I524-G554 WeakPolarHBondContact O-CA 3.41Å; I524-G554 PolarHBondContact O-N 3.26Å
525	N	79.2	Confident	72.8	Confident	25 Å²	25	63.1 Å²	63.1	13%	0.134	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-129.2	98.7	170.2	-163.7	-27.6	0	0	0	110.6	L527 L528 V553 G558 I562	N525-L527 PolarHBondContact O-N 3.19Å; N525-L527 PolarHBondContact OD1-N 3.03Å; N525-L528 HydrophobicContact CB-CD1 4.23Å; N525-L528 HydrophobicContact CB-CG 4.45Å; N525-L528 PolarHBondContact O-N 2.91Å; N525-V553 VanDerWaalsContact CG-C 3.48Å; N525-V553 VanDerWaalsContact CG-O 3.31Å; N525-V553 PolarHBondContact ND2-O 2.71Å; N525-V553 VanDerWaalsContact ND2-O 3.17Å; N525-V553 PolarHBondContact OD1-O 3.12Å; N525-G558 PolarHBondContact ND2-O 2.92Å; N525-G558 VanDerWaalsContact ND2-O 3.16Å; N525-I562 WeakPolarHBondContact ND2-CD1 3.49Å; N525-I562 VanDerWaalsContact OD1-CD1 3.31Å; N525-I562 WeakPolarHBondContact OD1-CD1 3.16Å
526	L	79	Confident	71.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.7	-176.9	-65	179.4	0	0	0	114.4	L393 H397 I435 V437 I524 L528 I534 I536 L552	L393-L526 HydrophobicContact CD1-CB 4.17Å; L393-L526 HydrophobicContact CD2-CB 3.96Å; L393-L526 HydrophobicContact CD2-CD1 4.1Å; H397-L526 PolarHBondContact CE1-O 2.91Å; H397-L526 VanDerWaalsContact CE1-O 3.26Å; H397-L526 PolarHBondContact NE2-O 3.37Å; I435-L526 HydrophobicContact CB-CD1 4.28Å; I435-L526 HydrophobicContact CD1-CD1 3.84Å; I435-L526 HydrophobicContact CG2-CD1 3.79Å; V437-L526 HydrophobicContact CG2-CB 4.39Å; V437-L526 HydrophobicContact CG2-CD2 4.06Å; I524-L526 HydrophobicContact CG2-CD2 3.83Å; I524-L526 HydrophobicContact CG2-CG 3.98Å; L526-L528 VanDerWaalsContact C-N 3.3Å; L526-I534 HydrophobicContact CD2-CD1 4.16Å; L526-I534 HydrophobicContact CD2-CG2 4.49Å; L526-I536 HydrophobicContact CD1-CD1 4.03Å; L526-I536 HydrophobicContact CD2-CD1 4.19Å; L526-I536 HydrophobicContact CG-CD1 4.46Å; L526-L552 WeakPolarHBondContact CB-O 3.02Å; L526-L552 HydrophobicContact CD1-CB 3.91Å; L526-L552 HydrophobicContact CD1-CD1 4.48Å; L526-L552 HydrophobicContact CD1-CD2 4.48Å; L526-L552 VanDerWaalsContact CG-O 3.27Å; L526-L552 WeakPolarHBondContact CG-O 3.19Å; L526-L552 PolarHBondContact N-O 2.96Å
527	L	80.6	Confident	71	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.047	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.3	173.3	-71.7	179	0	0	0	113	L393 W396 F412 L415 N525 V553 L559 I562	L393-L527 HydrophobicContact CD1-CD2 4.08Å; W396-L527 HydrophobicContact CD2-CD2 4.13Å; W396-L527 HydrophobicContact CG-CD2 4.05Å; W396-L527 HydrophobicContact CZ2-CD2 4.49Å; F412-L527 HydrophobicContact CE1-CD1 4.23Å; L415-L527 HydrophobicContact CD1-CD1 4.49Å; L415-L527 HydrophobicContact CD1-CD2 3.95Å; N525-L527 PolarHBondContact O-N 3.19Å; N525-L527 PolarHBondContact OD1-N 3.03Å; L527-V553 HydrophobicContact CB-CG1 4.45Å; L527-V553 HydrophobicContact CD1-CG1 3.23Å; L527-V553 HydrophobicContact CD2-CG1 4.5Å; L527-V553 HydrophobicContact CG-CG1 3.47Å; L527-V553 VanDerWaalsContact CG-CG1 3.47Å; L527-L559 HydrophobicContact CD1-CD1 3.66Å; L527-I562 HydrophobicContact CB-CD1 3.67Å; L527-I562 HydrophobicContact CD1-CD1 4.27Å
528	L	75.1	Confident	70.2	Confident	68 Å²	68	56.8 Å²	56.8	36%	0.356	31%	0.309	S	S	.	.	S	Bend	trans	-79.1	143.6	175.7	-67	174.2	0	0	0	110.2	N525 L526 T530 I562	N525-L528 HydrophobicContact CB-CD1 4.23Å; N525-L528 HydrophobicContact CB-CG 4.45Å; N525-L528 PolarHBondContact O-N 2.91Å; L526-L528 VanDerWaalsContact C-N 3.3Å; L528-T530 PolarHBondContact O-N 2.89Å; L528-I562 HydrophobicContact CD2-CD1 3.99Å; L528-I562 HydrophobicContact CD2-CG1 4.11Å; L528-I562 HydrophobicContact CG-CD1 3.97Å; L528-I562 HydrophobicContact CG-CG1 4.44Å
529	P	67.4	Low	69.5	Low	79 Å²	79	56.9 Å²	56.9	51%	0.513	31%	0.31	S	S	.	.			trans	-61.7	131.3	173.5	24.7	-31.9	0	0	0	109.9	N439	N439-P529 VanDerWaalsContact ND2-CB 3.27Å; N439-P529 WeakPolarHBondContact ND2-CB 3.41Å; N439-P529 WeakPolarHBondContact OD1-CB 3.29Å
530	T	61.9	Low	68.3	Low	28 Å²	28	65.4 Å²	65.4	17%	0.172	35%	0.347	C	S	.	.			trans	-120.2	130.2	178	57.5	0	0	0	0	111.2	V437 N439 L528 K532 I534	V437-T530 WeakPolarHBondContact CB-OG1 3.25Å; V437-T530 VanDerWaalsContact CG1-OG1 3.27Å; V437-T530 WeakPolarHBondContact CG1-OG1 3.39Å; N439-T530 PolarHBondContact ND2-N 3.27Å; N439-T530 PolarHBondContact ND2-O 3.37Å; L528-T530 PolarHBondContact O-N 2.89Å; T530-K532 PolarHBondContact O-N 2.57Å; T530-K532 PolarHBondContact OG1-O 2.55Å; T530-I534 HydrophobicContact CG2-CD1 3.79Å
531	D	55.4	Low	67	Low	161 Å²	161	67.6 Å²	67.6	86%	0.861	36%	0.359	S	S	*	.	S	Bend	trans	-73.3	-16.1	178.2	-61.9	-26.5	0	0	0	113.1
532	K	54.6	Low	65.9	Low	167 Å²	167	63.2 Å²	63.2	73%	0.726	35%	0.347	S	S	*	.	S	Bend	trans	-119.2	139.6	-180	-63.5	-177.7	-178.5	-179.6	0	110	T530 I534	T530-K532 PolarHBondContact O-N 2.57Å; T530-K532 PolarHBondContact OG1-O 2.55Å; K532-I534 PolarHBondContact O-N 2.86Å
533	P	57.1	Low	65.1	Low	83 Å²	83	63.9 Å²	63.9	54%	0.539	36%	0.356	S	S	.	.			trans	-63.4	124.4	171.8	27.1	-32.8	0	0	0	109.3	F436	F436-P533 HydrophobicContact CD1-CB 3.91Å; F436-P533 HydrophobicContact CE1-CB 4.2Å
534	I	60.5	Low	65	Low	42 Å²	42	58.7 Å²	58.7	22%	0.215	32%	0.321	C	S	.	.			trans	-91.3	130.9	172.2	-58.1	-179.4	0	0	0	107.5	L526 T530 K532 I536	L526-I534 HydrophobicContact CD2-CD1 4.16Å; L526-I534 HydrophobicContact CD2-CG2 4.49Å; T530-I534 HydrophobicContact CG2-CD1 3.79Å; K532-I534 PolarHBondContact O-N 2.86Å; I534-I536 HydrophobicContact CG2-CD1 4.18Å; I534-I536 HydrophobicContact CG2-CG1 3.78Å
535	V	60.2	Low	65.1	Low	59 Å²	59	63 Å²	63	36%	0.358	34%	0.337	S	S	.	.			trans	-112.2	121.8	172	172.9	0	0	0	0	107.1	I434 F436	I434-V535 HydrophobicContact CB-CG1 4.47Å; I434-V535 HydrophobicContact CD1-CG1 4.11Å; I434-V535 HydrophobicContact CG1-CG1 3.97Å; I434-V535 HydrophobicContact CG2-CB 4.2Å; I434-V535 HydrophobicContact CG2-CG1 3.81Å; I434-V535 HydrophobicContact CG2-CG2 3.84Å; F436-V535 HydrophobicContact CE1-CG2 3.81Å; F436-V535 HydrophobicContact CZ-CG2 4.04Å
536	I	63.5	Low	65.1	Low	8 Å²	8	63.6 Å²	63.6	4%	0.041	34%	0.343	C	S	.	.			trans	-114.5	130.4	178.1	-55.9	-174.7	0	0	0	107.8	E433 W513 I524 L526 I534 L552	E433-I536 CarbonylContact C-O 3.6Å; W513-I536 HydrophobicContact CH2-CG2 4.02Å; W513-I536 HydrophobicContact CZ2-CG2 3.74Å; I524-I536 HydrophobicContact CD1-CD1 4.28Å; I524-I536 HydrophobicContact CG2-CD1 4.41Å; L526-I536 HydrophobicContact CD1-CD1 4.03Å; L526-I536 HydrophobicContact CD2-CD1 4.19Å; L526-I536 HydrophobicContact CG-CD1 4.46Å; I534-I536 HydrophobicContact CG2-CD1 4.18Å; I534-I536 HydrophobicContact CG2-CG1 3.78Å; I536-L552 HydrophobicContact CD1-CD2 3.42Å; I536-L552 VanDerWaalsContact CD1-CD2 3.42Å; I536-L552 HydrophobicContact CG2-CD2 4.2Å
537	C	60.3	Low	65.3	Low	77 Å²	77	64.7 Å²	64.7	52%	0.52	35%	0.347	S	S	.	.			trans	-96.9	115.8	171.7	-64	0	0	0	0	108.7	W513	W513-C537 WeakPolarHBondContact CZ2-O 3.35Å; W513-C537 PolarHBondContact NE1-O 3.42Å
538	G	65	Low	65.4	Low	13 Å²	13	64.6 Å²	64.6	13%	0.134	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-63.9	172.4	173.2	0	0	0	0	0	112.9
539	P	64.7	Low	65.9	Low	25 Å²	25	61.6 Å²	61.6	16%	0.162	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.1	141.8	172.9	26.5	-31.5	0	0	0	110.4	W513 D541 L544	W513-P539 HydrophobicContact CB-CB 4.33Å; W513-P539 HydrophobicContact CG-CB 4.2Å; W513-P539 HydrophobicContact CG-CG 4.4Å; P539-D541 PolarHBondContact O-N 3.09Å; P539-L544 VanDerWaalsContact CD-CD2 3.47Å; P539-L544 HydrophobicContact CG-CD2 4.28Å
540	K	57	Low	66.7	Low	179 Å²	179	57.8 Å²	57.8	78%	0.778	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	135.7	175.3	-63.1	-174.6	178.3	-174.4	0	109.7	Q542	K540-Q542 VanDerWaalsContact C-N 3.28Å; K540-Q542 PolarHBondContact O-N 2.84Å
541	D	53.8	Low	67.7	Low	73 Å²	73	56.5 Å²	56.5	39%	0.39	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	14.6	166.6	-43.6	-38.2	0	0	0	116.2	N431 P539	N431-D541 WeakPolarHBondContact ND2-CA 3.35Å; N431-D541 PolarHBondContact ND2-N 3.24Å; N431-D541 PolarHBondContact ND2-OD1 3.37Å; P539-D541 PolarHBondContact O-N 3.09Å
542	Q	59.3	Low	68.9	Low	85 Å²	85	48.9 Å²	48.9	40%	0.397	26%	0.256	S	S	.	.	S	Bend	trans	-145.1	137.1	176.3	-60	-175.9	17.4	0	0	111.5	K540 Y545	K540-Q542 VanDerWaalsContact C-N 3.28Å; K540-Q542 PolarHBondContact O-N 2.84Å; Q542-Y545 PolarHBondContact OE1-OH 3.33Å
543	G	64	Low	70.2	Confident	27 Å²	27	41 Å²	41	28%	0.278	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-67.4	151.6	168.9	0	0	0	0	0	111.6	Y545	G543-Y545 PolarHBondContact O-N 3.17Å
544	L	71.5	Confident	71.1	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.026	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-58.5	129	-179.5	-68.2	-179.9	0	0	0	112.5	E433 W513 P539 Q548 R549 L552	E433-L544 WeakPolarHBondContact OE2-CD1 3.48Å; E433-L544 WeakPolarHBondContact OE2-CG 3.38Å; W513-L544 HydrophobicContact CE3-CD2 4.22Å; W513-L544 HydrophobicContact CH2-CD2 3.85Å; W513-L544 HydrophobicContact CZ2-CD2 4.32Å; W513-L544 HydrophobicContact CZ3-CD2 3.8Å; P539-L544 VanDerWaalsContact CD-CD2 3.47Å; P539-L544 HydrophobicContact CG-CD2 4.28Å; L544-Q548 HydrophobicContact CB-CB 4.38Å; L544-Q548 HydrophobicContact CD2-CB 4.06Å; L544-R549 HydrophobicContact CB-CG 3.93Å; L544-R549 HydrophobicContact CD1-CG 4.26Å; L544-R549 PolarHBondContact O-NE 2.95Å; L544-R549 PolarHBondContact O-NH2 3.48Å; L544-L552 HydrophobicContact CD1-CD1 3.53Å
545	Y	76.2	Confident	72.2	Confident	110 Å²	110	35.1 Å²	35.1	43%	0.431	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-65.4	153.6	169.8	-68.9	-73.2	0	0	0	111	Q542 G543 W547 Q548 R549	Q542-Y545 PolarHBondContact OE1-OH 3.33Å; G543-Y545 PolarHBondContact O-N 3.17Å; Y545-W547 AromaticContact CG-NE1 3.91Å; Y545-W547 PolarHBondContact O-N 3.44Å; Y545-W547 VanDerWaalsContact O-N 3.14Å; Y545-Q548 WeakPolarHBondContact O-CB 3.45Å; Y545-Q548 PolarHBondContact O-N 2.89Å; Y545-R549 PolarHBondContact O-N 2.99Å; Y545-R549 VanDerWaalsContact O-N 3.12Å
546	P	81.1	Confident	73.5	Confident	38 Å²	38	32.3 Å²	32.3	25%	0.247	17%	0.17	C	C	.	.	H	α-helix	trans	-52.1	-39	178.9	-29.4	36.4	0	0	0	114.2	R549 L550 L582	P546-R549 PolarHBondContact O-N 2.68Å; P546-L550 PolarHBondContact O-N 2.99Å; P546-L582 HydrophobicContact CB-CD2 3.9Å
547	W	83.2	Confident	74.5	Confident	23 Å²	23	35.1 Å²	35.1	9%	0.087	18%	0.181	C	C	.	.	H	α-helix	trans	-71.5	-29.5	178.2	71.9	-96.5	0	0	0	113.4	W513 A519 Y545 R549 L550 A551 L582 P584	W513-W547 WeakPolarHBondContact O-CH2 3.27Å; W513-W547 WeakPolarHBondContact O-CZ2 3.36Å; A519-W547 HydrophobicContact CB-CB 4.32Å; A519-W547 HydrophobicContact CB-CE3 4.28Å; Y545-W547 AromaticContact CG-NE1 3.91Å; Y545-W547 PolarHBondContact O-N 3.44Å; Y545-W547 VanDerWaalsContact O-N 3.14Å; W547-R549 VanDerWaalsContact C-N 3.34Å; W547-L550 WeakPolarHBondContact O-CB 3.34Å; W547-L550 PolarHBondContact O-N 3.47Å; W547-A551 PolarHBondContact O-N 3.3Å; W547-L582 WeakPolarHBondContact CA-O 3.32Å; W547-L582 WeakPolarHBondContact CB-O 3.24Å; W547-L582 PolarHBondContact N-O 3.17Å; W547-P584 HydrophobicContact CB-CB 4.5Å; W547-P584 HydrophobicContact CB-CG 3.82Å; W547-P584 HydrophobicContact CD2-CG 4.28Å; W547-P584 HydrophobicContact CG-CB 4.33Å; W547-P584 HydrophobicContact CG-CG 3.96Å
548	Q	82.5	Confident	75.6	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-69.9	-36.3	173.8	-67.5	173.6	-31.3	0	0	110.2	W513 L544 Y545 A551 L552	W513-Q548 HydrophobicContact CE3-CB 4.07Å; W513-Q548 HydrophobicContact CE3-CG 3.94Å; W513-Q548 HydrophobicContact CZ3-CB 3.92Å; W513-Q548 HydrophobicContact CZ3-CG 4.32Å; W513-Q548 PolarHBondContact O-NE2 3.5Å; W513-Q548 VanDerWaalsContact O-NE2 3.13Å; L544-Q548 HydrophobicContact CB-CB 4.38Å; L544-Q548 HydrophobicContact CD2-CB 4.06Å; Y545-Q548 WeakPolarHBondContact O-CB 3.45Å; Y545-Q548 PolarHBondContact O-N 2.89Å; Q548-A551 WeakPolarHBondContact O-CB 3.16Å; Q548-A551 PolarHBondContact O-N 3.05Å; Q548-L552 WeakPolarHBondContact O-CG 3Å; Q548-L552 PolarHBondContact O-N 2.98Å
549	R	83.8	Confident	76.6	Confident	5 Å²	5	31.4 Å²	31.4	2%	0.019	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-37.9	171.7	-57.8	178	-153.9	162.5	4.7	111.8	F389 M419 L421 N423 L544 Y545 P546 W547 A551 L552 V553	F389-R549 HydrophobicContact CD1-CG 4.27Å; F389-R549 HydrophobicContact CD2-CB 4.36Å; F389-R549 HydrophobicContact CE1-CB 4.5Å; F389-R549 HydrophobicContact CE2-CB 4.3Å; F389-R549 HydrophobicContact CG-CB 4.49Å; F389-R549 HydrophobicContact CG-CG 4.31Å; F389-R549 HydrophobicContact CZ-CB 4.37Å; M419-R549 HydrophobicContact CE-CB 4.12Å; M419-R549 WeakPolarHBondContact CE-O 3.46Å; M419-R549 PolarHBondContact O-NH1 3.32Å; L421-R549 PolarHBondContact O-NH1 3.13Å; L421-R549 PolarHBondContact O-NH2 2.89Å; N423-R549 PolarHBondContact ND2-NH2 3.46Å; N423-R549 VanDerWaalsContact ND2-NH2 3.17Å; N423-R549 PolarHBondContact OD1-NH1 3.36Å; N423-R549 PolarHBondContact OD1-NH2 3.49Å; L544-R549 HydrophobicContact CB-CG 3.93Å; L544-R549 HydrophobicContact CD1-CG 4.26Å; L544-R549 PolarHBondContact O-NE 2.95Å; L544-R549 PolarHBondContact O-NH2 3.48Å; Y545-R549 PolarHBondContact O-N 2.99Å; Y545-R549 VanDerWaalsContact O-N 3.12Å; P546-R549 PolarHBondContact O-N 2.68Å; W547-R549 VanDerWaalsContact C-N 3.34Å; R549-A551 VanDerWaalsContact C-N 3.3Å; R549-A551 PolarHBondContact O-N 3.3Å; R549-L552 WeakPolarHBondContact O-CB 3.46Å; R549-L552 PolarHBondContact O-N 3.02Å; R549-L552 VanDerWaalsContact O-N 3.11Å; R549-V553 PolarHBondContact O-N 3.33Å
550	L	84.8	Confident	77.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-43.2	171.1	-177.3	63.5	0	0	0	111.2	M419 A519 P546 W547 L552 V553 G555 L559 L582	M419-L550 VanDerWaalsContact CE-CA 3.48Å; M419-L550 HydrophobicContact CE-CB 4.34Å; M419-L550 HydrophobicContact CE-CD1 4.48Å; A519-L550 HydrophobicContact CB-CD2 4.44Å; P546-L550 PolarHBondContact O-N 2.99Å; W547-L550 WeakPolarHBondContact O-CB 3.34Å; W547-L550 PolarHBondContact O-N 3.47Å; L550-L552 VanDerWaalsContact C-N 3.25Å; L550-L552 PolarHBondContact O-N 3.45Å; L550-V553 PolarHBondContact O-N 3.24Å; L550-G555 WeakPolarHBondContact O-CA 3Å; L550-G555 PolarHBondContact O-N 3.06Å; L550-L559 HydrophobicContact CD1-CD2 4.41Å; L550-L582 HydrophobicContact CB-CB 4.27Å; L550-L582 HydrophobicContact CD1-CD1 4.15Å; L550-L582 HydrophobicContact CD2-CB 4.14Å
551	A	83.4	Confident	79	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-29.1	174.2	0	0	0	0	0	113.1	L518 S522 W547 Q548 R549 V553	L518-A551 HydrophobicContact CB-CB 3.77Å; L518-A551 WeakPolarHBondContact O-CB 3.23Å; S522-A551 WeakPolarHBondContact CB-O 3.47Å; S522-A551 PolarHBondContact OG-O 2.89Å; W547-A551 PolarHBondContact O-N 3.3Å; Q548-A551 WeakPolarHBondContact O-CB 3.16Å; Q548-A551 PolarHBondContact O-N 3.05Å; R549-A551 VanDerWaalsContact C-N 3.3Å; R549-A551 PolarHBondContact O-N 3.3Å; A551-V553 PolarHBondContact O-N 3.03Å
552	L	79.9	Confident	80.4	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-72.4	-17.5	174.6	-69.1	-179.5	0	0	0	113.7	F389 I435 W513 L526 I536 L544 Q548 R549 L550	F389-L552 HydrophobicContact CE1-CB 4.38Å; F389-L552 HydrophobicContact CE1-CD1 3.91Å; F389-L552 HydrophobicContact CZ-CB 4.2Å; I435-L552 HydrophobicContact CD1-CD1 3.53Å; W513-L552 HydrophobicContact CH2-CD1 4.44Å; W513-L552 HydrophobicContact CH2-CD2 3.95Å; W513-L552 HydrophobicContact CH2-CG 4.34Å; L526-L552 WeakPolarHBondContact CB-O 3.02Å; L526-L552 HydrophobicContact CD1-CB 3.91Å; L526-L552 HydrophobicContact CD1-CD1 4.48Å; L526-L552 HydrophobicContact CD1-CD2 4.48Å; L526-L552 VanDerWaalsContact CG-O 3.27Å; L526-L552 WeakPolarHBondContact CG-O 3.19Å; L526-L552 PolarHBondContact N-O 2.96Å; I536-L552 HydrophobicContact CD1-CD2 3.42Å; I536-L552 VanDerWaalsContact CD1-CD2 3.42Å; I536-L552 HydrophobicContact CG2-CD2 4.2Å; L544-L552 HydrophobicContact CD1-CD1 3.53Å; Q548-L552 WeakPolarHBondContact O-CG 3Å; Q548-L552 PolarHBondContact O-N 2.98Å; R549-L552 WeakPolarHBondContact O-CB 3.46Å; R549-L552 PolarHBondContact O-N 3.02Å; R549-L552 VanDerWaalsContact O-N 3.11Å; L550-L552 VanDerWaalsContact C-N 3.25Å; L550-L552 PolarHBondContact O-N 3.45Å
553	V	81.8	Confident	81.6	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.012	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-106.4	27.3	-177.3	-180	0	0	0	0	111.2	F389 M419 N525 L527 R549 L550 A551 L559	F389-V553 HydrophobicContact CE2-CG2 3.86Å; F389-V553 HydrophobicContact CZ-CG2 3.82Å; M419-V553 HydrophobicContact CE-CB 3.98Å; M419-V553 HydrophobicContact CE-CG2 3.64Å; M419-V553 HydrophobicContact SD-CG2 4.25Å; N525-V553 VanDerWaalsContact CG-C 3.48Å; N525-V553 VanDerWaalsContact CG-O 3.31Å; N525-V553 PolarHBondContact ND2-O 2.71Å; N525-V553 VanDerWaalsContact ND2-O 3.17Å; N525-V553 PolarHBondContact OD1-O 3.12Å; L527-V553 HydrophobicContact CB-CG1 4.45Å; L527-V553 HydrophobicContact CD1-CG1 3.23Å; L527-V553 HydrophobicContact CD2-CG1 4.5Å; L527-V553 HydrophobicContact CG-CG1 3.47Å; L527-V553 VanDerWaalsContact CG-CG1 3.47Å; R549-V553 PolarHBondContact O-N 3.33Å; L550-V553 PolarHBondContact O-N 3.24Å; A551-V553 PolarHBondContact O-N 3.03Å; V553-L559 HydrophobicContact CG1-CD1 3.74Å
554	G	76.7	Confident	82.5	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-3.1	179.9	0	0	0	0	0	115.1	S522 I524 G558	S522-G554 PolarHBondContact N-O 2.84Å; S522-G554 VanDerWaalsContact N-O 3.08Å; S522-G554 WeakPolarHBondContact OG-CA 3.45Å; S522-G554 PolarHBondContact OG-N 3.27Å; S522-G554 PolarHBondContact OG-O 3.06Å; I524-G554 VanDerWaalsContact O-CA 3.26Å; I524-G554 WeakPolarHBondContact O-CA 3.41Å; I524-G554 PolarHBondContact O-N 3.26Å; G554-G558 VanDerWaalsContact O-CA 3.28Å; G554-G558 WeakPolarHBondContact O-CA 3.42Å; G554-G558 PolarHBondContact O-N 3.41Å; G554-G558 VanDerWaalsContact O-N 3.12Å
555	G	84.6	Confident	83	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	73.3	-173.9	-167.7	0	0	0	0	0	112	A519 S522 L550 Y557 G558 L559	A519-G555 CarbonylContact O-C 3.56Å; A519-G555 WeakPolarHBondContact O-CA 3.38Å; S522-G555 PolarHBondContact OG-N 3.13Å; L550-G555 WeakPolarHBondContact O-CA 3Å; L550-G555 PolarHBondContact O-N 3.06Å; G555-Y557 PolarHBondContact O-N 3.44Å; G555-G558 PolarHBondContact O-N 3.03Å; G555-L559 VanDerWaalsContact O-CB 3.32Å; G555-L559 WeakPolarHBondContact O-CB 3.4Å; G555-L559 PolarHBondContact O-N 2.98Å
556	L	85.8	Confident	83.1	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-56.7	-49.6	177.9	-176.9	57.6	0	0	0	111.9	A519 L520 L560 I579 L608	A519-L556 PolarHBondContact O-N 3.04Å; L520-L556 PolarHBondContact O-N 3.06Å; L520-L556 VanDerWaalsContact O-N 3.09Å; L556-L560 HydrophobicContact CD1-CD1 4.44Å; L556-L560 HydrophobicContact CG-CD1 4.38Å; L556-L560 VanDerWaalsContact O-CG 3.22Å; L556-L560 WeakPolarHBondContact O-CG 3.45Å; L556-L560 PolarHBondContact O-N 3.38Å; L556-L560 VanDerWaalsContact O-N 3.08Å; L556-I579 HydrophobicContact CD1-CD1 3.67Å; L556-I579 HydrophobicContact CD1-CG2 3.8Å; L556-L608 HydrophobicContact CD1-CD1 4.26Å; L556-L608 HydrophobicContact CD2-CD1 3.4Å; L556-L608 VanDerWaalsContact CD2-CD1 3.4Å; L556-L608 HydrophobicContact CG-CD1 3.75Å
557	Y	85.6	Confident	83.2	Confident	66 Å²	66	22.5 Å²	22.5	26%	0.259	11%	0.109	S	C	.	.	H	α-helix	trans	-70.2	-40.4	-179.8	-74.8	-75.6	0	0	0	112.4	L520 G555 L559 L560 D561 E604 L608	L520-Y557 HydrophobicContact CB-CD2 4.31Å; L520-Y557 HydrophobicContact CD2-CE2 4.4Å; L520-Y557 WeakPolarHBondContact O-CD2 3.38Å; L520-Y557 PolarHBondContact O-N 2.77Å; G555-Y557 PolarHBondContact O-N 3.44Å; Y557-L559 PolarHBondContact O-N 2.88Å; Y557-L560 PolarHBondContact O-N 3.48Å; Y557-D561 WeakPolarHBondContact O-CB 3.48Å; Y557-D561 VanDerWaalsContact O-CG 3.23Å; Y557-D561 PolarHBondContact O-N 3.14Å; Y557-E604 PolarHBondContact OH-OE2 2.68Å; Y557-L608 HydrophobicContact CE1-CD2 3.93Å
558	G	83.8	Confident	83.1	Confident	10 Å²	10	29.7 Å²	29.7	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-34.7	178.2	0	0	0	0	0	113.1	N525 G554 G555 I562	N525-G558 PolarHBondContact ND2-O 2.92Å; N525-G558 VanDerWaalsContact ND2-O 3.16Å; G554-G558 VanDerWaalsContact O-CA 3.28Å; G554-G558 WeakPolarHBondContact O-CA 3.42Å; G554-G558 PolarHBondContact O-N 3.41Å; G554-G558 VanDerWaalsContact O-N 3.12Å; G555-G558 PolarHBondContact O-N 3.03Å; G558-I562 PolarHBondContact O-N 3.45Å
559	L	86	Confident	83.1	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-43.7	172.1	-177.7	70.3	0	0	0	111.1	F412 T416 L527 L550 V553 G555 Y557 I562 I563 F575 I579	F412-L559 HydrophobicContact CD1-CD1 4.17Å; T416-L559 HydrophobicContact CG2-CD2 3.84Å; L527-L559 HydrophobicContact CD1-CD1 3.66Å; L550-L559 HydrophobicContact CD1-CD2 4.41Å; V553-L559 HydrophobicContact CG1-CD1 3.74Å; G555-L559 VanDerWaalsContact O-CB 3.32Å; G555-L559 WeakPolarHBondContact O-CB 3.4Å; G555-L559 PolarHBondContact O-N 2.98Å; Y557-L559 PolarHBondContact O-N 2.88Å; L559-I562 PolarHBondContact O-N 3.45Å; L559-I563 HydrophobicContact CG-CD1 4.22Å; L559-I563 VanDerWaalsContact O-CG1 3.3Å; L559-I563 WeakPolarHBondContact O-CG1 3.32Å; L559-I563 PolarHBondContact O-N 3.16Å; L559-F575 HydrophobicContact CD2-CE2 3.88Å; L559-F575 HydrophobicContact CD2-CZ 3.53Å; L559-F575 HydrophobicContact CG-CZ 4.05Å; L559-I579 HydrophobicContact CD2-CD1 4.43Å
560	L	86.3	Confident	83	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-41	175.6	-71.6	173.8	0	0	0	112.3	L556 Y557 I562 I563 E564 L571 F575 F576 L608 F612	L556-L560 HydrophobicContact CD1-CD1 4.44Å; L556-L560 HydrophobicContact CG-CD1 4.38Å; L556-L560 VanDerWaalsContact O-CG 3.22Å; L556-L560 WeakPolarHBondContact O-CG 3.45Å; L556-L560 PolarHBondContact O-N 3.38Å; L556-L560 VanDerWaalsContact O-N 3.08Å; Y557-L560 PolarHBondContact O-N 3.48Å; L560-I562 VanDerWaalsContact C-N 3.29Å; L560-I562 PolarHBondContact O-N 3.06Å; L560-I563 PolarHBondContact O-N 3.21Å; L560-I563 VanDerWaalsContact O-N 3.07Å; L560-E564 PolarHBondContact O-N 3.29Å; L560-L571 HydrophobicContact CD2-CD1 3.23Å; L560-F575 HydrophobicContact CD2-CE1 3.83Å; L560-F575 HydrophobicContact CD2-CZ 4.49Å; L560-F576 HydrophobicContact CD2-CZ 4.49Å; L560-L608 HydrophobicContact CD1-CD1 3.79Å; L560-L608 HydrophobicContact CD1-CD2 3.72Å; L560-L608 HydrophobicContact CD1-CG 4.33Å; L560-F612 HydrophobicContact CD1-CE2 4.36Å; L560-F612 HydrophobicContact CD2-CE2 4.1Å; L560-F612 HydrophobicContact CD2-CZ 4.13Å
561	D	84.1	Confident	82.8	Confident	57 Å²	57	40.1 Å²	40.1	31%	0.305	19%	0.188	S	C	.	.	H	α-helix	trans	-61.2	-38	177.6	-76.7	-19.8	0	0	0	111.4	Y557 N565	Y557-D561 WeakPolarHBondContact O-CB 3.48Å; Y557-D561 VanDerWaalsContact O-CG 3.23Å; Y557-D561 PolarHBondContact O-N 3.14Å; D561-N565 WeakPolarHBondContact O-CA 3.41Å; D561-N565 WeakPolarHBondContact O-CB 3.32Å; D561-N565 PolarHBondContact O-N 3.3Å; D561-N565 PolarHBondContact O-ND2 3.11Å
562	I	84	Confident	82.6	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.041	21%	0.213	C	C	.	.	I	π-helix	trans	-62.2	-47.2	172.1	-73.7	-176	0	0	0	110.6	F412 N525 L527 L528 G558 L559 L560 H566 Y567	F412-I562 HydrophobicContact CE1-CG2 4.07Å; F412-I562 HydrophobicContact CZ-CG2 4.1Å; N525-I562 WeakPolarHBondContact ND2-CD1 3.49Å; N525-I562 VanDerWaalsContact OD1-CD1 3.31Å; N525-I562 WeakPolarHBondContact OD1-CD1 3.16Å; L527-I562 HydrophobicContact CB-CD1 3.67Å; L527-I562 HydrophobicContact CD1-CD1 4.27Å; L528-I562 HydrophobicContact CD2-CD1 3.99Å; L528-I562 HydrophobicContact CD2-CG1 4.11Å; L528-I562 HydrophobicContact CG-CD1 3.97Å; L528-I562 HydrophobicContact CG-CG1 4.44Å; G558-I562 PolarHBondContact O-N 3.45Å; L559-I562 PolarHBondContact O-N 3.45Å; L560-I562 VanDerWaalsContact C-N 3.29Å; L560-I562 PolarHBondContact O-N 3.06Å; I562-H566 HydrophobicContact CG2-CB 4.38Å; I562-H566 WeakPolarHBondContact O-CA 3.44Å; I562-H566 WeakPolarHBondContact O-CB 3.32Å; I562-H566 PolarHBondContact O-N 2.88Å; I562-Y567 HydrophobicContact CG2-CD2 3.71Å; I562-Y567 HydrophobicContact CG2-CE2 3.65Å; I562-Y567 PolarHBondContact O-N 2.93Å; I562-Y567 VanDerWaalsContact O-N 3.08Å
563	I	84.4	Confident	82.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-68.7	-45.1	-173.6	-63.6	171.8	0	0	0	110.8	F412 L559 L560 K568 L569 L571 F575	F412-I563 HydrophobicContact CB-CD1 3.88Å; F412-I563 HydrophobicContact CD1-CD1 3.85Å; F412-I563 HydrophobicContact CD1-CG1 3.84Å; F412-I563 HydrophobicContact CD2-CD1 4.1Å; F412-I563 HydrophobicContact CD2-CG1 3.89Å; F412-I563 HydrophobicContact CE1-CD1 4.42Å; F412-I563 HydrophobicContact CE1-CG1 3.9Å; F412-I563 HydrophobicContact CE2-CG1 3.96Å; F412-I563 HydrophobicContact CG-CD1 3.67Å; F412-I563 HydrophobicContact CG-CG1 3.83Å; F412-I563 HydrophobicContact CZ-CG1 3.96Å; L559-I563 HydrophobicContact CG-CD1 4.22Å; L559-I563 VanDerWaalsContact O-CG1 3.3Å; L559-I563 WeakPolarHBondContact O-CG1 3.32Å; L559-I563 PolarHBondContact O-N 3.16Å; L560-I563 PolarHBondContact O-N 3.21Å; L560-I563 VanDerWaalsContact O-N 3.07Å; I563-K568 PolarHBondContact O-N 3.47Å; I563-L569 HydrophobicContact CG2-CB 3.86Å; I563-L569 PolarHBondContact O-N 2.5Å; I563-L571 HydrophobicContact CD1-CD1 4.5Å; I563-L571 HydrophobicContact CD1-CD2 3.89Å; I563-L571 HydrophobicContact CG2-CD1 4.28Å; I563-L571 HydrophobicContact CG2-CD2 3.77Å; I563-L571 HydrophobicContact CG2-CG 3.89Å; I563-F575 HydrophobicContact CD1-CE1 4.31Å; I563-F575 HydrophobicContact CD1-CE2 3.76Å; I563-F575 HydrophobicContact CD1-CZ 3.53Å
564	E	84	Confident	82.9	Confident	45 Å²	45	48.7 Å²	48.7	21%	0.21	24%	0.239	C	C	.	.	I	π-helix	trans	-75.2	-47.4	179.9	-70.5	-173.8	137.5	0	0	112.7	L560 K568 R611 F612	L560-E564 PolarHBondContact O-N 3.29Å; E564-K568 VanDerWaalsContact O-CA 3.24Å; E564-K568 WeakPolarHBondContact O-CA 3.38Å; E564-K568 PolarHBondContact O-N 3.46Å; E564-R611 VanDerWaalsContact CD-NH2 3.32Å; E564-R611 IonicContact OE1-CZ 3.99Å; E564-R611 IonicContact OE1-NH2 2.71Å; E564-R611 PolarHBondContact OE1-NH2 3.08Å; E564-R611 VanDerWaalsContact OE1-NH2 3.12Å; E564-R611 IonicContact OE2-CZ 3.09Å; E564-R611 IonicContact OE2-NH2 2.85Å; E564-R611 PolarHBondContact OE2-NH2 3.36Å; E564-F612 HydrophobicContact CG-CE1 4.09Å; E564-F612 HydrophobicContact CG-CZ 4.1Å; E564-F612 WeakPolarHBondContact OE1-CE1 3.49Å; E564-F612 WeakPolarHBondContact OE1-CZ 3.3Å
565	N	81.1	Confident	83.3	Confident	109 Å²	109	48.7 Å²	48.7	58%	0.583	24%	0.238	S	C	*	.	I	π-helix	trans	-93.9	-39.3	-169.5	-57.4	-50.9	0	0	0	113	D561	D561-N565 WeakPolarHBondContact O-CA 3.41Å; D561-N565 WeakPolarHBondContact O-CB 3.32Å; D561-N565 PolarHBondContact O-N 3.3Å; D561-N565 PolarHBondContact O-ND2 3.11Å
566	H	79.2	Confident	83.5	Confident	97 Å²	97	48.7 Å²	48.7	45%	0.449	24%	0.238	S	C	.	.	I	π-helix	trans	-83	-47.9	-177.2	-168.2	-85.6	0	0	0	111.7	I562	I562-H566 HydrophobicContact CG2-CB 4.38Å; I562-H566 WeakPolarHBondContact O-CA 3.44Å; I562-H566 WeakPolarHBondContact O-CB 3.32Å; I562-H566 PolarHBondContact O-N 2.88Å
567	Y	81.4	Confident	83.5	Confident	38 Å²	38	49 Å²	49	15%	0.149	24%	0.24	C	C	.	.	S	Bend	trans	-102.9	-11.8	-177.9	-64	-77.3	0	0	0	114.8	N405 I407 F412 I562 L569	N405-Y567 HydrophobicContact CB-CE1 4.28Å; I407-Y567 HydrophobicContact CB-CD1 4.27Å; I407-Y567 HydrophobicContact CB-CE1 4.37Å; I407-Y567 HydrophobicContact CD1-CD1 4.01Å; I407-Y567 HydrophobicContact CD1-CE1 3.29Å; I407-Y567 HydrophobicContact CD1-CE2 4.15Å; I407-Y567 WeakPolarHBondContact CD1-OH 3.43Å; I407-Y567 HydrophobicContact CG1-CD1 4.32Å; I407-Y567 HydrophobicContact CG1-CE1 3.94Å; F412-Y567 HydrophobicContact CE2-CD2 4.19Å; F412-Y567 AromaticContact CZ-CD2 3.64Å; F412-Y567 HydrophobicContact CZ-CD2 3.64Å; F412-Y567 AromaticContact CZ-CE2 3.8Å; F412-Y567 HydrophobicContact CZ-CE2 3.8Å; F412-Y567 HydrophobicContact CZ-CG 4.46Å; I562-Y567 HydrophobicContact CG2-CD2 3.71Å; I562-Y567 HydrophobicContact CG2-CE2 3.65Å; I562-Y567 PolarHBondContact O-N 2.93Å; I562-Y567 VanDerWaalsContact O-N 3.08Å; Y567-L569 VanDerWaalsContact C-N 3.3Å; Y567-L569 PolarHBondContact O-N 3.4Å
568	K	82.2	Confident	83.5	Confident	175 Å²	175	45.9 Å²	45.9	76%	0.761	23%	0.228	S	C	*	.			trans	55.4	40.6	179.1	-58.5	180	-179.5	176.5	0	113.9	I563 E564	I563-K568 PolarHBondContact O-N 3.47Å; E564-K568 VanDerWaalsContact O-CA 3.24Å; E564-K568 WeakPolarHBondContact O-CA 3.38Å; E564-K568 PolarHBondContact O-N 3.46Å
569	L	83.1	Confident	83.7	Confident	37 Å²	37	45.4 Å²	45.4	19%	0.194	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-96.2	148.3	-176.5	-62.6	175.6	0	0	0	111.9	I407 P409 F412 I563 Y567	I407-L569 HydrophobicContact CG2-CD1 4.43Å; P409-L569 HydrophobicContact CG-CB 4.27Å; F412-L569 HydrophobicContact CD2-CD1 4.25Å; F412-L569 HydrophobicContact CE2-CD1 3.82Å; I563-L569 HydrophobicContact CG2-CB 3.86Å; I563-L569 PolarHBondContact O-N 2.5Å; Y567-L569 VanDerWaalsContact C-N 3.3Å; Y567-L569 PolarHBondContact O-N 3.4Å
570	K	81.2	Confident	83.7	Confident	183 Å²	183	45.5 Å²	45.5	80%	0.796	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-90	134.1	169.2	-68.3	-174.9	179.5	-179.4	0	110	P409	P409-K570 WeakPolarHBondContact CG-O 3.43Å
571	L	79.7	Confident	83.5	Confident	10 Å²	10	51.4 Å²	51.4	5%	0.052	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-89	147	-179.4	-73.8	170.7	0	0	0	112.1	L560 I563 F575 F576 F612	L560-L571 HydrophobicContact CD2-CD1 3.23Å; I563-L571 HydrophobicContact CD1-CD1 4.5Å; I563-L571 HydrophobicContact CD1-CD2 3.89Å; I563-L571 HydrophobicContact CG2-CD1 4.28Å; I563-L571 HydrophobicContact CG2-CD2 3.77Å; I563-L571 HydrophobicContact CG2-CG 3.89Å; L571-F575 HydrophobicContact CD1-CD1 3.85Å; L571-F575 HydrophobicContact CD1-CE1 3.72Å; L571-F575 HydrophobicContact CD2-CB 4.1Å; L571-F575 HydrophobicContact CD2-CD1 3.67Å; L571-F575 HydrophobicContact CD2-CD2 4.1Å; L571-F575 HydrophobicContact CD2-CE1 3.96Å; L571-F575 HydrophobicContact CD2-CE2 4.39Å; L571-F575 HydrophobicContact CD2-CG 3.7Å; L571-F575 HydrophobicContact CD2-CZ 4.3Å; L571-F575 HydrophobicContact CG-CD1 4.25Å; L571-F575 HydrophobicContact CG-CE1 4.46Å; L571-F576 HydrophobicContact CB-CE2 4.19Å; L571-F576 HydrophobicContact CD1-CE2 4.42Å; L571-F576 HydrophobicContact CD1-CZ 4.33Å; L571-F612 HydrophobicContact CD1-CE1 4.48Å; L571-F612 HydrophobicContact CD1-CZ 4.2Å
572	N	80.2	Confident	83.6	Confident	99 Å²	99	48.7 Å²	48.7	53%	0.529	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-102.1	157.2	174.1	-63.3	-7.6	0	0	0	109.9	S574 F575	N572-S574 PolarHBondContact O-N 3.33Å; N572-S574 VanDerWaalsContact O-N 3.13Å; N572-F575 WeakPolarHBondContact O-CB 3.42Å; N572-F575 PolarHBondContact O-N 3.2Å
573	I	84.7	Confident	83.7	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.097	23%	0.233	C	C	.	.	H	α-helix	trans	-53.2	-33.9	175.3	-80.3	158	0	0	0	112.9	H91 F575 F576 T577 L614 T615 D617	H91-I573 VanDerWaalsContact NE2-CD1 3.28Å; H91-I573 WeakPolarHBondContact NE2-CD1 3.25Å; I573-F575 PolarHBondContact O-N 3.01Å; I573-F576 PolarHBondContact O-N 2.94Å; I573-F576 VanDerWaalsContact O-N 3.12Å; I573-T577 PolarHBondContact O-N 3.45Å; I573-T577 PolarHBondContact O-OG1 3.1Å; I573-L614 HydrophobicContact CD1-CB 4.42Å; I573-L614 HydrophobicContact CG1-CB 4.05Å; I573-L614 HydrophobicContact CG1-CD1 4.25Å; I573-L614 HydrophobicContact CG1-CD2 4.39Å; I573-L614 HydrophobicContact CG1-CG 4.46Å; I573-T615 WeakPolarHBondContact CD1-O 3.46Å; I573-D617 WeakPolarHBondContact CG2-OD1 3.39Å
574	S	82.2	Confident	83.7	Confident	65 Å²	65	49 Å²	49	46%	0.455	23%	0.233	S	C	.	.	H	α-helix	trans	-55.3	-34.6	177.5	-172.7	0	0	0	0	113.1	N572 T577 C578	N572-S574 PolarHBondContact O-N 3.33Å; N572-S574 VanDerWaalsContact O-N 3.13Å; S574-T577 PolarHBondContact O-N 2.9Å; S574-C578 PolarHBondContact O-N 3.13Å; S574-C578 PolarHBondContact O-SG 3.1Å
575	F	86.6	Confident	83.5	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.5	-48.1	176.7	174	-102.4	0	0	0	111.8	F412 T416 L559 L560 I563 L571 N572 I573 T577 C578 I579	F412-F575 HydrophobicContact CB-CD2 4.25Å; F412-F575 HydrophobicContact CB-CE2 3.95Å; T416-F575 HydrophobicContact CG2-CD2 4.26Å; T416-F575 HydrophobicContact CG2-CE2 3.74Å; L559-F575 HydrophobicContact CD2-CE2 3.88Å; L559-F575 HydrophobicContact CD2-CZ 3.53Å; L559-F575 HydrophobicContact CG-CZ 4.05Å; L560-F575 HydrophobicContact CD2-CE1 3.83Å; L560-F575 HydrophobicContact CD2-CZ 4.49Å; I563-F575 HydrophobicContact CD1-CE1 4.31Å; I563-F575 HydrophobicContact CD1-CE2 3.76Å; I563-F575 HydrophobicContact CD1-CZ 3.53Å; L571-F575 HydrophobicContact CD1-CD1 3.85Å; L571-F575 HydrophobicContact CD1-CE1 3.72Å; L571-F575 HydrophobicContact CD2-CB 4.1Å; L571-F575 HydrophobicContact CD2-CD1 3.67Å; L571-F575 HydrophobicContact CD2-CD2 4.1Å; L571-F575 HydrophobicContact CD2-CE1 3.96Å; L571-F575 HydrophobicContact CD2-CE2 4.39Å; L571-F575 HydrophobicContact CD2-CG 3.7Å; L571-F575 HydrophobicContact CD2-CZ 4.3Å; L571-F575 HydrophobicContact CG-CD1 4.25Å; L571-F575 HydrophobicContact CG-CE1 4.46Å; N572-F575 WeakPolarHBondContact O-CB 3.42Å; N572-F575 PolarHBondContact O-N 3.2Å; I573-F575 PolarHBondContact O-N 3.01Å; F575-T577 VanDerWaalsContact C-N 3.3Å; F575-T577 PolarHBondContact O-N 3.31Å; F575-C578 PolarHBondContact O-N 3.16Å; F575-C578 VanDerWaalsContact O-N 3.16Å; F575-I579 HydrophobicContact CD1-CD1 3.62Å; F575-I579 HydrophobicContact CD2-CD1 4.49Å; F575-I579 HydrophobicContact CE1-CD1 3.09Å; F575-I579 HydrophobicContact CE1-CG1 4.25Å; F575-I579 HydrophobicContact CE2-CD1 4.05Å; F575-I579 HydrophobicContact CG-CD1 4.32Å; F575-I579 HydrophobicContact CZ-CD1 3.36Å; F575-I579 HydrophobicContact CZ-CG1 4.27Å; F575-I579 PolarHBondContact O-N 3.23Å
576	F	87.5	Confident	83.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-38.9	176.9	-70.5	-79.3	0	0	0	111.6	L560 L571 I573 C578 I579 I580 V605 L608 L609 F612 L614 L620	L560-F576 HydrophobicContact CD2-CZ 4.49Å; L571-F576 HydrophobicContact CB-CE2 4.19Å; L571-F576 HydrophobicContact CD1-CE2 4.42Å; L571-F576 HydrophobicContact CD1-CZ 4.33Å; I573-F576 PolarHBondContact O-N 2.94Å; I573-F576 VanDerWaalsContact O-N 3.12Å; F576-C578 VanDerWaalsContact C-N 3.28Å; F576-C578 PolarHBondContact O-N 3.27Å; F576-I579 PolarHBondContact O-N 2.85Å; F576-I580 WeakPolarHBondContact O-CG1 3.38Å; F576-I580 PolarHBondContact O-N 2.8Å; F576-V605 HydrophobicContact CD1-CG1 4.45Å; F576-L608 HydrophobicContact CE1-CB 3.94Å; F576-L609 HydrophobicContact CB-CD2 3.98Å; F576-L609 HydrophobicContact CD1-CD2 4.15Å; F576-L609 HydrophobicContact CD1-CG 4.48Å; F576-L609 HydrophobicContact CD2-CD2 3.58Å; F576-L609 HydrophobicContact CE2-CD2 4.09Å; F576-L609 HydrophobicContact CG-CD2 3.62Å; F576-L609 HydrophobicContact CG-CG 4.38Å; F576-F612 HydrophobicContact CE2-CD2 4.22Å; F576-F612 AromaticContact CZ-CD2 3.57Å; F576-F612 HydrophobicContact CZ-CD2 3.57Å; F576-F612 AromaticContact CZ-CE2 3.85Å; F576-F612 HydrophobicContact CZ-CE2 3.85Å; F576-F612 HydrophobicContact CZ-CG 4.41Å; F576-L614 HydrophobicContact CD2-CD1 3.9Å; F576-L614 HydrophobicContact CE2-CD1 3.61Å; F576-L620 HydrophobicContact CB-CD1 3.77Å
577	T	86.3	Confident	83	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-38.5	174.8	-54.3	0	0	0	0	111.7	F79 I573 S574 F575 A623	F79-T577 HydrophobicContact CE1-CG2 3.87Å; F79-T577 HydrophobicContact CZ-CG2 3.83Å; I573-T577 PolarHBondContact O-N 3.45Å; I573-T577 PolarHBondContact O-OG1 3.1Å; S574-T577 PolarHBondContact O-N 2.9Å; F575-T577 VanDerWaalsContact C-N 3.3Å; F575-T577 PolarHBondContact O-N 3.31Å; T577-A623 HydrophobicContact CG2-CB 4.05Å
578	C	85.3	Confident	82.2	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-73.7	-38.6	175.7	-66.5	0	0	0	0	112.9	T413 T416 R417 S574 F575 F576 I580 R581	T413-C578 HydrophobicContact CG2-CB 4.4Å; T416-C578 WeakPolarHBondContact OG1-CB 3.3Å; R417-C578 HydrophobicContact CG-CB 4.21Å; R417-C578 VanDerWaalsContact CG-SG 3.57Å; S574-C578 PolarHBondContact O-N 3.13Å; S574-C578 PolarHBondContact O-SG 3.1Å; F575-C578 PolarHBondContact O-N 3.16Å; F575-C578 VanDerWaalsContact O-N 3.16Å; F576-C578 VanDerWaalsContact C-N 3.28Å; F576-C578 PolarHBondContact O-N 3.27Å; C578-I580 PolarHBondContact O-N 3.12Å; C578-R581 WeakPolarHBondContact O-CB 3.41Å; C578-R581 PolarHBondContact O-N 3.18Å
579	I	88.5	Confident	80.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-35.2	178.6	-81.9	174.8	0	0	0	112.5	T416 L556 L559 F575 F576 R581 L582 L583	T416-I579 HydrophobicContact CG2-CG1 4.14Å; L556-I579 HydrophobicContact CD1-CD1 3.67Å; L556-I579 HydrophobicContact CD1-CG2 3.8Å; L559-I579 HydrophobicContact CD2-CD1 4.43Å; F575-I579 HydrophobicContact CD1-CD1 3.62Å; F575-I579 HydrophobicContact CD2-CD1 4.49Å; F575-I579 HydrophobicContact CE1-CD1 3.09Å; F575-I579 HydrophobicContact CE1-CG1 4.25Å; F575-I579 HydrophobicContact CE2-CD1 4.05Å; F575-I579 HydrophobicContact CG-CD1 4.32Å; F575-I579 HydrophobicContact CZ-CD1 3.36Å; F575-I579 HydrophobicContact CZ-CG1 4.27Å; F575-I579 PolarHBondContact O-N 3.23Å; F576-I579 PolarHBondContact O-N 2.85Å; I579-R581 PolarHBondContact O-N 3.04Å; I579-L582 WeakPolarHBondContact O-CA 3.2Å; I579-L582 WeakPolarHBondContact O-CB 3.49Å; I579-L582 PolarHBondContact O-N 2.97Å; I579-L583 HydrophobicContact CG2-CD2 4.23Å; I579-L583 HydrophobicContact CG2-CG 4.45Å; I579-L583 PolarHBondContact O-N 3.29Å
580	I	86.9	Confident	79.1	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.015	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-53.1	-32.5	-179.2	-70.7	163.5	0	0	0	112	F576 C578 L582 L583 L620 A623 L624 R627	F576-I580 WeakPolarHBondContact O-CG1 3.38Å; F576-I580 PolarHBondContact O-N 2.8Å; C578-I580 PolarHBondContact O-N 3.12Å; I580-L582 VanDerWaalsContact C-N 3.27Å; I580-L582 PolarHBondContact O-N 3.39Å; I580-L583 HydrophobicContact CG1-CD1 4.42Å; I580-L583 PolarHBondContact O-N 3.48Å; I580-L620 HydrophobicContact CD1-CD2 4Å; I580-L620 HydrophobicContact CD1-CG 3.78Å; I580-A623 HydrophobicContact CB-CB 4.3Å; I580-A623 HydrophobicContact CD1-CB 3.8Å; I580-A623 HydrophobicContact CG2-CB 4.14Å; I580-L624 HydrophobicContact CD1-CD2 3.57Å; I580-L624 HydrophobicContact CD1-CG 3.76Å; I580-L624 HydrophobicContact CG1-CD2 3.77Å; I580-L624 HydrophobicContact CG2-CD2 3.94Å; I580-R627 HydrophobicContact CG2-CB 4.03Å
581	R	81.7	Confident	77.2	Confident	125 Å²	125	54 Å²	54	47%	0.472	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-71.1	-20.8	178.2	-60.8	173.4	65.3	116.5	-1.9	113.7	C578 I579	C578-R581 WeakPolarHBondContact O-CB 3.41Å; C578-R581 PolarHBondContact O-N 3.18Å; I579-R581 PolarHBondContact O-N 3.04Å
582	L	85.1	Confident	75	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-91.2	-12.3	179.2	-56.3	-177.7	0	0	0	112.6	T416 M419 P546 W547 L550 I579 I580	T416-L582 HydrophobicContact CG2-CD1 4.22Å; M419-L582 HydrophobicContact CB-CD1 4.03Å; M419-L582 HydrophobicContact CB-CD2 3.67Å; M419-L582 HydrophobicContact CE-CD1 4.29Å; M419-L582 HydrophobicContact SD-CD1 4.3Å; P546-L582 HydrophobicContact CB-CD2 3.9Å; W547-L582 WeakPolarHBondContact CA-O 3.32Å; W547-L582 WeakPolarHBondContact CB-O 3.24Å; W547-L582 PolarHBondContact N-O 3.17Å; L550-L582 HydrophobicContact CB-CB 4.27Å; L550-L582 HydrophobicContact CD1-CD1 4.15Å; L550-L582 HydrophobicContact CD2-CB 4.14Å; I579-L582 WeakPolarHBondContact O-CA 3.2Å; I579-L582 WeakPolarHBondContact O-CB 3.49Å; I579-L582 PolarHBondContact O-N 2.97Å; I580-L582 VanDerWaalsContact C-N 3.27Å; I580-L582 PolarHBondContact O-N 3.39Å
583	L	87.2	Confident	73.1	Confident	13 Å²	13	62.3 Å²	62.3	7%	0.068	32%	0.319	C	S	.	.	S	Bend	trans	-69.8	149.4	-177.3	-61.7	172.9	0	0	0	111.2	I579 I580 W601 V605	I579-L583 HydrophobicContact CG2-CD2 4.23Å; I579-L583 HydrophobicContact CG2-CG 4.45Å; I579-L583 PolarHBondContact O-N 3.29Å; I580-L583 HydrophobicContact CG1-CD1 4.42Å; I580-L583 PolarHBondContact O-N 3.48Å; L583-W601 HydrophobicContact CB-CB 4.46Å; L583-W601 HydrophobicContact CD1-CB 4.06Å; L583-W601 HydrophobicContact CD2-CB 4.41Å; L583-W601 HydrophobicContact CD2-CE3 4.24Å; L583-V605 HydrophobicContact CD1-CG2 3.92Å
584	P	84.6	Confident	71.3	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.006	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-53.5	150.4	171.8	-26.1	35.6	0	0	0	111.8	T516 A519 W547 W601 R627	T516-P584 HydrophobicContact CG2-CB 4.19Å; T516-P584 HydrophobicContact CG2-CG 4.44Å; A519-P584 HydrophobicContact CB-CG 3.88Å; W547-P584 HydrophobicContact CB-CB 4.5Å; W547-P584 HydrophobicContact CB-CG 3.82Å; W547-P584 HydrophobicContact CD2-CG 4.28Å; W547-P584 HydrophobicContact CG-CB 4.33Å; W547-P584 HydrophobicContact CG-CG 3.96Å; P584-W601 HydrophobicContact CB-CZ2 4.32Å; P584-W601 HydrophobicContact CG-CD2 4.21Å; P584-W601 HydrophobicContact CG-CE3 4.48Å; P584-W601 HydrophobicContact CG-CH2 4.02Å; P584-W601 HydrophobicContact CG-CZ2 3.69Å; P584-W601 HydrophobicContact CG-CZ3 4.35Å; P584-R627 PolarHBondContact O-NE 3.41Å; P584-R627 PolarHBondContact O-NH2 3.05Å
585	P	79.7	Confident	69.8	Low	88 Å²	88	69.2 Å²	69.2	57%	0.571	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-62.7	142.8	175.1	27.1	-33.4	0	0	0	110.3	V587	P585-V587 PolarHBondContact O-N 3.36Å
586	P	79.2	Confident	68.6	Low	10 Å²	10	75.1 Å²	75.1	7%	0.065	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63.7	134.7	176.2	27.4	-35.2	0	0	0	110.3	A631 L633	P586-A631 HydrophobicContact CG-CB 3.59Å; P586-L633 HydrophobicContact CB-CD1 3.54Å; P586-L633 HydrophobicContact CG-CD1 3.47Å; P586-L633 VanDerWaalsContact CG-CD1 3.47Å; P586-L633 HydrophobicContact CG-CG 4.49Å
587	V	70.7	Confident	67.8	Low	127 Å²	127	77.8 Å²	77.8	77%	0.77	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-71.4	129	-177	-176.8	0	0	0	0	109.8	P585 S589	P585-V587 PolarHBondContact O-N 3.36Å; V587-S589 PolarHBondContact O-N 2.8Å; V587-S589 VanDerWaalsContact O-N 3.16Å
588	K	63.8	Low	67.5	Low	140 Å²	140	80.6 Å²	80.6	61%	0.609	42%	0.42	S	S	*	.			trans	-76.6	94.8	167.7	-64.9	178.6	-178	177.5	0	107.6	D590 A631 L633	K588-D590 PolarHBondContact O-N 3.11Å; K588-A631 WeakPolarHBondContact CE-O 3.4Å; K588-A631 PolarHBondContact NZ-O 3.21Å; K588-L633 HydrophobicContact CG-CD2 4.09Å
589	S	53.8	Low	67.3	Low	77 Å²	77	81.6 Å²	81.6	54%	0.538	43%	0.426	S	S	.	.			trans	-73.4	123.4	172.1	56.1	0	0	0	0	109.2	V587 Q591 C592	V587-S589 PolarHBondContact O-N 2.8Å; V587-S589 VanDerWaalsContact O-N 3.16Å; S589-Q591 PolarHBondContact O-N 3.4Å; S589-C592 PolarHBondContact O-N 2.6Å
590	D	45.8	Very low	67.1	Low	163 Å²	163	86.1 Å²	86.1	87%	0.872	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	0.9	179.3	-79.4	-30.2	0	0	0	114	K588	K588-D590 PolarHBondContact O-N 3.11Å
591	Q	41.5	Very low	67	Low	185 Å²	185	86.4 Å²	86.4	86%	0.864	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	14.7	-174	-70	-173.1	-7	0	0	115.2	S589	S589-Q591 PolarHBondContact O-N 3.4Å
592	C	34	Very low	67.2	Low	44 Å²	44	80.5 Å²	80.5	30%	0.297	43%	0.432	S	S	.	.			trans	-142.7	85.3	-179.4	-140	0	0	0	0	114.8	S589 T594 N595	S589-C592 PolarHBondContact O-N 2.6Å; C592-T594 PolarHBondContact O-N 3.31Å; C592-N595 WeakPolarHBondContact SG-CB 3.36Å; C592-N595 PolarHBondContact SG-N 3.25Å; C592-N595 VanDerWaalsContact SG-N 3.42Å; C592-N595 PolarHBondContact SG-ND2 2.93Å; C592-N595 VanDerWaalsContact SG-ND2 3.42Å
593	Y	40.8	Very low	67.2	Low	240 Å²	240	83 Å²	83	94%	0.941	45%	0.447	S	S	*	.	S	Bend	trans	-75.8	7	161.3	-75.7	-84.2	0	0	0	112.6
594	T	47.2	Very low	67.1	Low	112 Å²	112	84.6 Å²	84.6	69%	0.687	45%	0.454	S	S	*	.	S	Bend	trans	-136.3	-2.7	-161.2	55.9	0	0	0	0	117.8	C592	C592-T594 PolarHBondContact O-N 3.31Å
595	N	50.8	Low	67.2	Low	116 Å²	116	84.6 Å²	84.6	62%	0.62	45%	0.454	S	S	*	.			trans	-107.1	104.4	-178.8	-70	-1.7	0	0	0	112.4	C592 A597	C592-N595 WeakPolarHBondContact SG-CB 3.36Å; C592-N595 PolarHBondContact SG-N 3.25Å; C592-N595 VanDerWaalsContact SG-N 3.42Å; C592-N595 PolarHBondContact SG-ND2 2.93Å; C592-N595 VanDerWaalsContact SG-ND2 3.42Å; N595-A597 HydrophobicContact CB-CB 4.36Å; N595-A597 PolarHBondContact O-N 2.95Å
596	D	59.5	Low	67.5	Low	125 Å²	125	82 Å²	82	67%	0.668	44%	0.435	S	S	*	.			trans	-62.6	44.6	163	-75.2	-36.5	0	0	0	112.6	H637	D596-H637 HydrophobicContact CB-CB 3.73Å
597	A	71.9	Confident	67.9	Low	55 Å²	55	85.7 Å²	85.7	46%	0.455	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-102	144.5	-177	0	0	0	0	0	111.4	N595 R628	N595-A597 HydrophobicContact CB-CB 4.36Å; N595-A597 PolarHBondContact O-N 2.95Å; A597-R628 PolarHBondContact O-NH1 2.86Å; A597-R628 PolarHBondContact O-NH2 3.03Å
598	F	78.8	Confident	68.6	Low	67 Å²	67	79.8 Å²	79.8	29%	0.294	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-61.5	145	167.2	-66.6	-74.3	0	0	0	110.4	E602 T603 L606 L638 D641	F598-E602 WeakPolarHBondContact CA-OE2 3.37Å; F598-E602 HydrophobicContact CB-CB 4.12Å; F598-E602 HydrophobicContact CD1-CB 4.08Å; F598-T603 HydrophobicContact CB-CG2 3.57Å; F598-L606 HydrophobicContact CD1-CD1 3.83Å; F598-L606 HydrophobicContact CD2-CD1 4.48Å; F598-L606 HydrophobicContact CE1-CD1 3.64Å; F598-L606 HydrophobicContact CE2-CD1 4.34Å; F598-L606 HydrophobicContact CG-CD1 4.23Å; F598-L606 HydrophobicContact CZ-CD1 3.92Å; F598-L638 HydrophobicContact CD1-CD2 4.23Å; F598-L638 HydrophobicContact CE1-CD2 3.7Å; F598-D641 HydrophobicContact CZ-CB 4.18Å
599	D	82.2	Confident	69.7	Low	23 Å²	23	73.2 Å²	73.2	12%	0.123	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-79.9	167.2	173.4	82.3	-12.2	0	0	0	110.6	W601 E602 T603 R627	D599-W601 PolarHBondContact O-N 2.89Å; D599-W601 VanDerWaalsContact O-N 3.1Å; D599-W601 PolarHBondContact OD1-N 3.08Å; D599-E602 PolarHBondContact N-OE2 3.5Å; D599-E602 PolarHBondContact O-N 3.5Å; D599-E602 WeakPolarHBondContact OD1-CB 3.22Å; D599-E602 WeakPolarHBondContact OD1-CG 3.42Å; D599-E602 PolarHBondContact OD1-N 2.95Å; D599-T603 PolarHBondContact O-N 3.47Å; D599-T603 PolarHBondContact O-OG1 3.47Å; D599-R627 VanDerWaalsContact CG-NH1 3.32Å; D599-R627 IonicContact OD1-CZ 2.72Å; D599-R627 IonicContact OD1-NH1 2.62Å; D599-R627 PolarHBondContact OD1-NH1 3.48Å; D599-R627 VanDerWaalsContact OD1-NH1 3.09Å; D599-R627 IonicContact OD1-NH2 2.82Å; D599-R627 IonicContact OD2-CZ 3Å; D599-R627 IonicContact OD2-NH1 2.62Å; D599-R627 PolarHBondContact OD2-NH1 3.15Å; D599-R627 IonicContact OD2-NH2 2.69Å; D599-R627 PolarHBondContact OD2-NH2 3.2Å
600	T	83.6	Confident	71.3	Confident	94 Å²	94	73.5 Å²	73.5	58%	0.577	39%	0.392	S	S	*	.	H	α-helix	trans	-55	-33.1	-177.6	52.8	0	0	0	0	112.5	T603 E604	T600-T603 WeakPolarHBondContact CA-OG1 3.47Å; T600-T603 PolarHBondContact O-OG1 2.7Å; T600-E604 WeakPolarHBondContact O-CB 3.41Å; T600-E604 WeakPolarHBondContact O-CG 3.23Å; T600-E604 PolarHBondContact O-N 3.25Å
601	W	84.1	Confident	73.2	Confident	10 Å²	10	72.1 Å²	72.1	4%	0.038	37%	0.374	C	S	.	.	H	α-helix	trans	-80.2	-39.8	-176.8	-51.2	100.1	0	0	0	112	T516 A519 L520 L583 P584 D599 E604 V605 R627	T516-W601 WeakPolarHBondContact O-CH2 3.17Å; A519-W601 HydrophobicContact CB-CH2 3.98Å; A519-W601 HydrophobicContact CB-CZ3 3.8Å; L520-W601 HydrophobicContact CB-CZ3 4.36Å; L520-W601 HydrophobicContact CD1-CZ3 4.33Å; L520-W601 HydrophobicContact CD2-CE3 3.74Å; L520-W601 HydrophobicContact CD2-CH2 4.32Å; L520-W601 HydrophobicContact CD2-CZ3 3.39Å; L520-W601 HydrophobicContact CG-CE3 4.19Å; L520-W601 HydrophobicContact CG-CH2 3.84Å; L520-W601 HydrophobicContact CG-CZ3 3.36Å; L583-W601 HydrophobicContact CB-CB 4.46Å; L583-W601 HydrophobicContact CD1-CB 4.06Å; L583-W601 HydrophobicContact CD2-CB 4.41Å; L583-W601 HydrophobicContact CD2-CE3 4.24Å; P584-W601 HydrophobicContact CB-CZ2 4.32Å; P584-W601 HydrophobicContact CG-CD2 4.21Å; P584-W601 HydrophobicContact CG-CE3 4.48Å; P584-W601 HydrophobicContact CG-CH2 4.02Å; P584-W601 HydrophobicContact CG-CZ2 3.69Å; P584-W601 HydrophobicContact CG-CZ3 4.35Å; D599-W601 PolarHBondContact O-N 2.89Å; D599-W601 VanDerWaalsContact O-N 3.1Å; D599-W601 PolarHBondContact OD1-N 3.08Å; W601-E604 PolarHBondContact O-N 3.47Å; W601-V605 WeakPolarHBondContact O-CG2 3.24Å; W601-V605 PolarHBondContact O-N 3.5Å; W601-R627 VanDerWaalsContact CD1-NH2 3.29Å
602	E	85.9	Confident	75.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-44.4	172.8	-77.3	157.4	-166	0	0	111	F598 D599 E604 V605 L606 L624 R627 R628	F598-E602 WeakPolarHBondContact CA-OE2 3.37Å; F598-E602 HydrophobicContact CB-CB 4.12Å; F598-E602 HydrophobicContact CD1-CB 4.08Å; D599-E602 PolarHBondContact N-OE2 3.5Å; D599-E602 PolarHBondContact O-N 3.5Å; D599-E602 WeakPolarHBondContact OD1-CB 3.22Å; D599-E602 WeakPolarHBondContact OD1-CG 3.42Å; D599-E602 PolarHBondContact OD1-N 2.95Å; E602-E604 VanDerWaalsContact C-N 3.3Å; E602-E604 PolarHBondContact O-N 3.2Å; E602-V605 PolarHBondContact O-N 3.28Å; E602-L606 WeakPolarHBondContact O-CB 3.4Å; E602-L606 WeakPolarHBondContact O-CG 3.44Å; E602-L606 PolarHBondContact O-N 3.28Å; E602-L624 HydrophobicContact CG-CD2 3.8Å; E602-R627 IonicContact OE1-NH1 2.95Å; E602-R627 PolarHBondContact OE1-NH1 3.13Å; E602-R628 WeakPolarHBondContact OE1-CG 3.38Å; E602-R628 IonicContact OE1-CZ 3.58Å; E602-R628 IonicContact OE1-NE 2.66Å; E602-R628 PolarHBondContact OE1-NE 3.14Å; E602-R628 IonicContact OE1-NH2 3.18Å; E602-R628 IonicContact OE2-CZ 3.39Å; E602-R628 VanDerWaalsContact OE2-CZ 3.23Å; E602-R628 IonicContact OE2-NE 3.43Å; E602-R628 PolarHBondContact OE2-NE 3.16Å; E602-R628 VanDerWaalsContact OE2-NE 3.14Å; E602-R628 IonicContact OE2-NH2 3.08Å; E602-R628 PolarHBondContact OE2-NH2 3.15Å
603	T	85.5	Confident	77.5	Confident	52 Å²	52	72.7 Å²	72.7	32%	0.319	37%	0.369	S	S	.	.	H	α-helix	trans	-60.5	-42.3	175.2	51.8	0	0	0	0	111.4	F598 D599 T600 L606 N607	F598-T603 HydrophobicContact CB-CG2 3.57Å; D599-T603 PolarHBondContact O-N 3.47Å; D599-T603 PolarHBondContact O-OG1 3.47Å; T600-T603 WeakPolarHBondContact CA-OG1 3.47Å; T600-T603 PolarHBondContact O-OG1 2.7Å; T603-L606 PolarHBondContact O-N 3.2Å; T603-N607 VanDerWaalsContact O-CB 3.27Å; T603-N607 WeakPolarHBondContact O-CB 3.19Å; T603-N607 PolarHBondContact O-N 3.46Å; T603-N607 PolarHBondContact O-ND2 3Å
604	E	85.8	Confident	79.6	Confident	48 Å²	48	63.2 Å²	63.2	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-67.1	-42.9	178.4	-72.9	-65.5	129.8	0	0	112.2	L520 Y557 T600 W601 E602 N607 L608	L520-E604 HydrophobicContact CD2-CB 4.32Å; L520-E604 HydrophobicContact CD2-CG 4.04Å; Y557-E604 PolarHBondContact OH-OE2 2.68Å; T600-E604 WeakPolarHBondContact O-CB 3.41Å; T600-E604 WeakPolarHBondContact O-CG 3.23Å; T600-E604 PolarHBondContact O-N 3.25Å; W601-E604 PolarHBondContact O-N 3.47Å; E602-E604 VanDerWaalsContact C-N 3.3Å; E602-E604 PolarHBondContact O-N 3.2Å; E604-N607 PolarHBondContact O-N 3.1Å; E604-L608 WeakPolarHBondContact O-CB 3.28Å; E604-L608 VanDerWaalsContact O-CG 3.24Å; E604-L608 WeakPolarHBondContact O-CG 3.26Å; E604-L608 PolarHBondContact O-N 3.04Å
605	V	87	Confident	81.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-43.7	175.9	170.8	0	0	0	0	111.2	F576 L583 W601 E602 L608 L609	F576-V605 HydrophobicContact CD1-CG1 4.45Å; L583-V605 HydrophobicContact CD1-CG2 3.92Å; W601-V605 WeakPolarHBondContact O-CG2 3.24Å; W601-V605 PolarHBondContact O-N 3.5Å; E602-V605 PolarHBondContact O-N 3.28Å; V605-L608 PolarHBondContact O-N 3.38Å; V605-L609 HydrophobicContact CG1-CD1 4.2Å; V605-L609 WeakPolarHBondContact O-CG 3.37Å; V605-L609 PolarHBondContact O-N 3.42Å
606	L	86.1	Confident	82.9	Confident	33 Å²	33	56.7 Å²	56.7	17%	0.173	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-41	177.1	-69	171.4	0	0	0	111.7	F598 E602 T603 L608 L609 S610 V616	F598-L606 HydrophobicContact CD1-CD1 3.83Å; F598-L606 HydrophobicContact CD2-CD1 4.48Å; F598-L606 HydrophobicContact CE1-CD1 3.64Å; F598-L606 HydrophobicContact CE2-CD1 4.34Å; F598-L606 HydrophobicContact CG-CD1 4.23Å; F598-L606 HydrophobicContact CZ-CD1 3.92Å; E602-L606 WeakPolarHBondContact O-CB 3.4Å; E602-L606 WeakPolarHBondContact O-CG 3.44Å; E602-L606 PolarHBondContact O-N 3.28Å; T603-L606 PolarHBondContact O-N 3.2Å; L606-L608 VanDerWaalsContact C-N 3.34Å; L606-L608 PolarHBondContact O-N 3.37Å; L606-L609 HydrophobicContact CD2-CD1 4.38Å; L606-L609 PolarHBondContact O-N 3.41Å; L606-S610 PolarHBondContact O-N 3.33Å; L606-V616 HydrophobicContact CD2-CG2 4.07Å
607	N	87.1	Confident	84.2	Confident	89 Å²	89	52.4 Å²	52.4	48%	0.476	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-43.1	173.3	-73.9	-18.3	0	0	0	111.4	T603 E604 S610 R611	T603-N607 VanDerWaalsContact O-CB 3.27Å; T603-N607 WeakPolarHBondContact O-CB 3.19Å; T603-N607 PolarHBondContact O-N 3.46Å; T603-N607 PolarHBondContact O-ND2 3Å; E604-N607 PolarHBondContact O-N 3.1Å; N607-S610 PolarHBondContact O-N 2.53Å; N607-S610 PolarHBondContact O-OG 3.32Å; N607-R611 PolarHBondContact O-N 2.85Å
608	L	86.5	Confident	84.8	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-43.5	176.1	-71.8	167.6	0	0	0	111.9	L556 Y557 L560 F576 E604 V605 L606 S610 R611 F612	L556-L608 HydrophobicContact CD1-CD1 4.26Å; L556-L608 HydrophobicContact CD2-CD1 3.4Å; L556-L608 VanDerWaalsContact CD2-CD1 3.4Å; L556-L608 HydrophobicContact CG-CD1 3.75Å; Y557-L608 HydrophobicContact CE1-CD2 3.93Å; L560-L608 HydrophobicContact CD1-CD1 3.79Å; L560-L608 HydrophobicContact CD1-CD2 3.72Å; L560-L608 HydrophobicContact CD1-CG 4.33Å; F576-L608 HydrophobicContact CE1-CB 3.94Å; E604-L608 WeakPolarHBondContact O-CB 3.28Å; E604-L608 VanDerWaalsContact O-CG 3.24Å; E604-L608 WeakPolarHBondContact O-CG 3.26Å; E604-L608 PolarHBondContact O-N 3.04Å; V605-L608 PolarHBondContact O-N 3.38Å; L606-L608 VanDerWaalsContact C-N 3.34Å; L606-L608 PolarHBondContact O-N 3.37Å; L608-S610 VanDerWaalsContact C-N 3.26Å; L608-S610 PolarHBondContact O-N 2.94Å; L608-R611 WeakPolarHBondContact O-CB 3.39Å; L608-R611 PolarHBondContact O-N 2.9Å; L608-R611 VanDerWaalsContact O-N 3.08Å; L608-F612 WeakPolarHBondContact O-CD2 3.44Å; L608-F612 PolarHBondContact O-N 3Å
609	L	86.6	Confident	85.2	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-42	175	-71.1	169	0	0	0	111.4	F576 V605 L606 R611 F612 K613 L614 V616 L620	F576-L609 HydrophobicContact CB-CD2 3.98Å; F576-L609 HydrophobicContact CD1-CD2 4.15Å; F576-L609 HydrophobicContact CD1-CG 4.48Å; F576-L609 HydrophobicContact CD2-CD2 3.58Å; F576-L609 HydrophobicContact CE2-CD2 4.09Å; F576-L609 HydrophobicContact CG-CD2 3.62Å; F576-L609 HydrophobicContact CG-CG 4.38Å; V605-L609 HydrophobicContact CG1-CD1 4.2Å; V605-L609 WeakPolarHBondContact O-CG 3.37Å; V605-L609 PolarHBondContact O-N 3.42Å; L606-L609 HydrophobicContact CD2-CD1 4.38Å; L606-L609 PolarHBondContact O-N 3.41Å; L609-R611 PolarHBondContact O-N 3.11Å; L609-F612 CarbonylContact O-C 3.54Å; L609-F612 PolarHBondContact O-N 3.48Å; L609-K613 PolarHBondContact O-N 3.37Å; L609-L614 HydrophobicContact CD2-CB 3.97Å; L609-L614 HydrophobicContact CD2-CD1 4.11Å; L609-L614 PolarHBondContact O-N 3.05Å; L609-V616 HydrophobicContact CD1-CG2 4.03Å; L609-L620 HydrophobicContact CD1-CD1 3.64Å; L609-L620 HydrophobicContact CD1-CD2 4.01Å; L609-L620 HydrophobicContact CD2-CD1 4.16Å; L609-L620 HydrophobicContact CG-CD1 4.5Å
610	S	85.9	Confident	85.4	Confident	82 Å²	82	50.3 Å²	50.3	57%	0.573	26%	0.264	S	S	*	.	H	α-helix	trans	-63.5	-40	175.1	81.9	0	0	0	0	112.7	L606 N607 L608 F612 K613	L606-S610 PolarHBondContact O-N 3.33Å; N607-S610 PolarHBondContact O-N 2.53Å; N607-S610 PolarHBondContact O-OG 3.32Å; L608-S610 VanDerWaalsContact C-N 3.26Å; L608-S610 PolarHBondContact O-N 2.94Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 3.42Å; S610-K613 PolarHBondContact O-N 2.83Å; S610-K613 VanDerWaalsContact O-N 3.09Å
611	R	86.2	Confident	85.6	Confident	134 Å²	134	45.9 Å²	45.9	51%	0.506	24%	0.237	S	C	.	.	H	α-helix	trans	-61.7	-40.1	176.1	176	-178.3	163.7	-166.8	-12.2	111.5	E564 N607 L608 L609 K613	E564-R611 VanDerWaalsContact CD-NH2 3.32Å; E564-R611 IonicContact OE1-CZ 3.99Å; E564-R611 IonicContact OE1-NH2 2.71Å; E564-R611 PolarHBondContact OE1-NH2 3.08Å; E564-R611 VanDerWaalsContact OE1-NH2 3.12Å; E564-R611 IonicContact OE2-CZ 3.09Å; E564-R611 IonicContact OE2-NH2 2.85Å; E564-R611 PolarHBondContact OE2-NH2 3.36Å; N607-R611 PolarHBondContact O-N 2.85Å; L608-R611 WeakPolarHBondContact O-CB 3.39Å; L608-R611 PolarHBondContact O-N 2.9Å; L608-R611 VanDerWaalsContact O-N 3.08Å; L609-R611 PolarHBondContact O-N 3.11Å; R611-K613 VanDerWaalsContact C-N 3.29Å; R611-K613 PolarHBondContact O-N 3.49Å
612	F	83.4	Confident	85.8	Confident	45 Å²	45	45.9 Å²	45.9	20%	0.197	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-0.1	177	-72.6	-75	0	0	0	114	L560 E564 L571 F576 L608 L609 S610 L614	L560-F612 HydrophobicContact CD1-CE2 4.36Å; L560-F612 HydrophobicContact CD2-CE2 4.1Å; L560-F612 HydrophobicContact CD2-CZ 4.13Å; E564-F612 HydrophobicContact CG-CE1 4.09Å; E564-F612 HydrophobicContact CG-CZ 4.1Å; E564-F612 WeakPolarHBondContact OE1-CE1 3.49Å; E564-F612 WeakPolarHBondContact OE1-CZ 3.3Å; L571-F612 HydrophobicContact CD1-CE1 4.48Å; L571-F612 HydrophobicContact CD1-CZ 4.2Å; F576-F612 HydrophobicContact CE2-CD2 4.22Å; F576-F612 AromaticContact CZ-CD2 3.57Å; F576-F612 HydrophobicContact CZ-CD2 3.57Å; F576-F612 AromaticContact CZ-CE2 3.85Å; F576-F612 HydrophobicContact CZ-CE2 3.85Å; F576-F612 HydrophobicContact CZ-CG 4.41Å; L608-F612 WeakPolarHBondContact O-CD2 3.44Å; L608-F612 PolarHBondContact O-N 3Å; L609-F612 CarbonylContact O-C 3.54Å; L609-F612 PolarHBondContact O-N 3.48Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 3.42Å; F612-L614 HydrophobicContact CB-CD1 3.95Å; F612-L614 HydrophobicContact CB-CG 3.94Å; F612-L614 PolarHBondContact O-N 3.19Å
613	K	83.5	Confident	85.8	Confident	196 Å²	196	46.4 Å²	46.4	85%	0.852	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	35	-175.7	-56.6	-179.4	178.6	-179	0	113.1	L609 S610 R611	L609-K613 PolarHBondContact O-N 3.37Å; S610-K613 PolarHBondContact O-N 2.83Å; S610-K613 VanDerWaalsContact O-N 3.09Å; R611-K613 VanDerWaalsContact C-N 3.29Å; R611-K613 PolarHBondContact O-N 3.49Å
614	L	84.2	Confident	85.9	Confident	41 Å²	41	44 Å²	44	22%	0.215	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-92.9	134.2	176.5	-64.9	174.4	0	0	0	109.5	I573 F576 L609 F612	I573-L614 HydrophobicContact CD1-CB 4.42Å; I573-L614 HydrophobicContact CG1-CB 4.05Å; I573-L614 HydrophobicContact CG1-CD1 4.25Å; I573-L614 HydrophobicContact CG1-CD2 4.39Å; I573-L614 HydrophobicContact CG1-CG 4.46Å; F576-L614 HydrophobicContact CD2-CD1 3.9Å; F576-L614 HydrophobicContact CE2-CD1 3.61Å; L609-L614 HydrophobicContact CD2-CB 3.97Å; L609-L614 HydrophobicContact CD2-CD1 4.11Å; L609-L614 PolarHBondContact O-N 3.05Å; F612-L614 HydrophobicContact CB-CD1 3.95Å; F612-L614 HydrophobicContact CB-CG 3.94Å; F612-L614 PolarHBondContact O-N 3.19Å
615	T	83.1	Confident	85.9	Confident	57 Å²	57	41.7 Å²	41.7	35%	0.35	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-80.4	138	173.5	43.9	0	0	0	0	110.1	H91 I573 D617	H91-T615 PolarHBondContact CE1-OG1 3.37Å; H91-T615 PolarHBondContact ND1-OG1 3.39Å; H91-T615 PolarHBondContact NE2-OG1 3.11Å; I573-T615 WeakPolarHBondContact CD1-O 3.46Å; T615-D617 PolarHBondContact O-N 3.33Å
616	V	84.2	Confident	85.7	Confident	34 Å²	34	45 Å²	45	21%	0.206	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70	133.5	174.5	-169.7	0	0	0	0	108.8	L606 L609 L620 Y621	L606-V616 HydrophobicContact CD2-CG2 4.07Å; L609-V616 HydrophobicContact CD1-CG2 4.03Å; V616-L620 HydrophobicContact CG1-CB 4.12Å; V616-L620 HydrophobicContact CG1-CD2 3.81Å; V616-L620 HydrophobicContact CG1-CG 4.46Å; V616-Y621 HydrophobicContact CB-CD2 4.39Å; V616-Y621 HydrophobicContact CB-CE2 3.82Å; V616-Y621 HydrophobicContact CG1-CD2 3.44Å; V616-Y621 VanDerWaalsContact CG1-CD2 3.44Å; V616-Y621 HydrophobicContact CG1-CE2 3.25Å; V616-Y621 HydrophobicContact CG1-CG 4.24Å
617	D	85.9	Confident	85.6	Confident	36 Å²	36	44.5 Å²	44.5	19%	0.193	23%	0.227	C	C	.	.			trans	-106.4	172.9	176.2	72.8	-20.1	0	0	0	111.1	I573 T615 T619 L620 Y621	I573-D617 WeakPolarHBondContact CG2-OD1 3.39Å; T615-D617 PolarHBondContact O-N 3.33Å; D617-T619 VanDerWaalsContact CG-OG1 3.23Å; D617-T619 PolarHBondContact O-N 3.08Å; D617-T619 PolarHBondContact OD1-N 3.03Å; D617-T619 PolarHBondContact OD1-OG1 2.98Å; D617-T619 WeakPolarHBondContact OD2-CB 3.27Å; D617-T619 PolarHBondContact OD2-OG1 3.18Å; D617-L620 PolarHBondContact O-N 3.14Å; D617-L620 WeakPolarHBondContact OD1-CB 3.39Å; D617-L620 PolarHBondContact OD1-N 2.89Å; D617-Y621 WeakPolarHBondContact O-CD2 3.1Å; D617-Y621 PolarHBondContact O-N 3.4Å
618	T	86	Confident	85.5	Confident	30 Å²	30	41.1 Å²	41.1	18%	0.184	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-30.7	177.4	-58.9	0	0	0	0	112.1	N622 M642 N650	T618-N622 WeakPolarHBondContact O-CB 3.15Å; T618-N622 PolarHBondContact O-N 3.33Å; T618-N622 PolarHBondContact O-ND2 2.87Å; T618-N622 PolarHBondContact O-OD1 3.41Å; T618-M642 HydrophobicContact CG2-CE 3.52Å; T618-N650 HydrophobicContact CG2-CB 4.47Å; T618-N650 WeakPolarHBondContact CG2-ND2 3.34Å
619	T	85.6	Confident	85.3	Confident	71 Å²	71	41.4 Å²	41.4	44%	0.436	21%	0.209	S	C	.	.	H	α-helix	trans	-71	-40.3	-177.4	77.7	0	0	0	0	112.4	D617 N622 A623	D617-T619 VanDerWaalsContact CG-OG1 3.23Å; D617-T619 PolarHBondContact O-N 3.08Å; D617-T619 PolarHBondContact OD1-N 3.03Å; D617-T619 PolarHBondContact OD1-OG1 2.98Å; D617-T619 WeakPolarHBondContact OD2-CB 3.27Å; D617-T619 PolarHBondContact OD2-OG1 3.18Å; T619-N622 WeakPolarHBondContact O-CB 3.47Å; T619-N622 PolarHBondContact O-N 3.46Å; T619-A623 PolarHBondContact O-N 2.92Å
620	L	87.7	Confident	84.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-42.2	176.8	-165.8	144.9	0	0	0	111.6	F576 I580 L609 V616 D617 N622 A623 L624	F576-L620 HydrophobicContact CB-CD1 3.77Å; I580-L620 HydrophobicContact CD1-CD2 4Å; I580-L620 HydrophobicContact CD1-CG 3.78Å; L609-L620 HydrophobicContact CD1-CD1 3.64Å; L609-L620 HydrophobicContact CD1-CD2 4.01Å; L609-L620 HydrophobicContact CD2-CD1 4.16Å; L609-L620 HydrophobicContact CG-CD1 4.5Å; V616-L620 HydrophobicContact CG1-CB 4.12Å; V616-L620 HydrophobicContact CG1-CD2 3.81Å; V616-L620 HydrophobicContact CG1-CG 4.46Å; D617-L620 PolarHBondContact O-N 3.14Å; D617-L620 WeakPolarHBondContact OD1-CB 3.39Å; D617-L620 PolarHBondContact OD1-N 2.89Å; L620-N622 VanDerWaalsContact C-N 3.33Å; L620-N622 PolarHBondContact O-N 3.34Å; L620-A623 WeakPolarHBondContact O-CB 3.26Å; L620-A623 PolarHBondContact O-N 3.09Å; L620-L624 HydrophobicContact CD2-CD1 3.88Å; L620-L624 HydrophobicContact CD2-CG 4.2Å; L620-L624 PolarHBondContact O-N 3.44Å
621	Y	88.1	Confident	84.3	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-44.6	171.6	-86.9	-67.9	0	0	0	111.8	V616 D617 A623 L624 I625 L638 D641 M642 N645 L647	V616-Y621 HydrophobicContact CB-CD2 4.39Å; V616-Y621 HydrophobicContact CB-CE2 3.82Å; V616-Y621 HydrophobicContact CG1-CD2 3.44Å; V616-Y621 VanDerWaalsContact CG1-CD2 3.44Å; V616-Y621 HydrophobicContact CG1-CE2 3.25Å; V616-Y621 HydrophobicContact CG1-CG 4.24Å; D617-Y621 WeakPolarHBondContact O-CD2 3.1Å; D617-Y621 PolarHBondContact O-N 3.4Å; Y621-A623 VanDerWaalsContact C-N 3.25Å; Y621-A623 PolarHBondContact O-N 2.97Å; Y621-L624 PolarHBondContact O-N 3.47Å; Y621-L624 VanDerWaalsContact O-N 3.17Å; Y621-I625 WeakPolarHBondContact O-CB 3.26Å; Y621-I625 WeakPolarHBondContact O-CG1 2.94Å; Y621-I625 PolarHBondContact O-N 3.08Å; Y621-L638 HydrophobicContact CD1-CD2 4.25Å; Y621-L638 HydrophobicContact CE1-CD2 4.29Å; Y621-D641 HydrophobicContact CE1-CB 4.33Å; Y621-D641 PolarHBondContact OH-OD2 2.88Å; Y621-M642 HydrophobicContact CD1-CB 3.95Å; Y621-M642 HydrophobicContact CD2-CB 4Å; Y621-M642 HydrophobicContact CD2-CG 3.93Å; Y621-M642 HydrophobicContact CE1-CB 4.14Å; Y621-M642 HydrophobicContact CE2-CB 4.18Å; Y621-M642 HydrophobicContact CE2-CG 4.4Å; Y621-M642 HydrophobicContact CG-CB 3.9Å; Y621-M642 HydrophobicContact CG-CG 4.06Å; Y621-M642 HydrophobicContact CG-SD 4.45Å; Y621-N645 PolarHBondContact OH-ND2 2.94Å; Y621-L647 HydrophobicContact CD2-CD1 3.57Å; Y621-L647 HydrophobicContact CE2-CD1 3.63Å
622	N	87.8	Confident	83.8	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-37.4	176.9	-73.2	-12.9	0	0	0	112.1	T618 T619 L620 H626 N650 I652 T653	T618-N622 WeakPolarHBondContact O-CB 3.15Å; T618-N622 PolarHBondContact O-N 3.33Å; T618-N622 PolarHBondContact O-ND2 2.87Å; T618-N622 PolarHBondContact O-OD1 3.41Å; T619-N622 WeakPolarHBondContact O-CB 3.47Å; T619-N622 PolarHBondContact O-N 3.46Å; L620-N622 VanDerWaalsContact C-N 3.33Å; L620-N622 PolarHBondContact O-N 3.34Å; N622-H626 VanDerWaalsContact O-CB 3.23Å; N622-H626 WeakPolarHBondContact O-CB 3.43Å; N622-H626 PolarHBondContact O-N 3.45Å; N622-N650 PolarHBondContact ND2-OD1 3.43Å; N622-N650 VanDerWaalsContact ND2-OD1 3.08Å; N622-I652 HydrophobicContact CB-CG2 4.4Å; N622-T653 PolarHBondContact ND2-OG1 3.09Å; N622-T653 WeakPolarHBondContact OD1-CA 3.47Å; N622-T653 WeakPolarHBondContact OD1-CB 3.33Å; N622-T653 WeakPolarHBondContact OD1-CG2 3.38Å; N622-T653 PolarHBondContact OD1-OG1 2.93Å
623	A	85.2	Confident	83.7	Confident	11 Å²	11	36.7 Å²	36.7	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-42.7	175	0	0	0	0	0	112.6	T577 I580 T619 L620 Y621 H626 R627	T577-A623 HydrophobicContact CG2-CB 4.05Å; I580-A623 HydrophobicContact CB-CB 4.3Å; I580-A623 HydrophobicContact CD1-CB 3.8Å; I580-A623 HydrophobicContact CG2-CB 4.14Å; T619-A623 PolarHBondContact O-N 2.92Å; L620-A623 WeakPolarHBondContact O-CB 3.26Å; L620-A623 PolarHBondContact O-N 3.09Å; Y621-A623 VanDerWaalsContact C-N 3.25Å; Y621-A623 PolarHBondContact O-N 2.97Å; A623-H626 PolarHBondContact O-N 3.16Å; A623-R627 WeakPolarHBondContact O-CB 3.13Å; A623-R627 PolarHBondContact O-N 2.75Å
624	L	87	Confident	83.5	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-44.9	174.9	-68.7	-179.1	0	0	0	112	I580 E602 L620 Y621 H626 R627 R628 L638	I580-L624 HydrophobicContact CD1-CD2 3.57Å; I580-L624 HydrophobicContact CD1-CG 3.76Å; I580-L624 HydrophobicContact CG1-CD2 3.77Å; I580-L624 HydrophobicContact CG2-CD2 3.94Å; E602-L624 HydrophobicContact CG-CD2 3.8Å; L620-L624 HydrophobicContact CD2-CD1 3.88Å; L620-L624 HydrophobicContact CD2-CG 4.2Å; L620-L624 PolarHBondContact O-N 3.44Å; Y621-L624 PolarHBondContact O-N 3.47Å; Y621-L624 VanDerWaalsContact O-N 3.17Å; L624-H626 VanDerWaalsContact C-N 3.31Å; L624-H626 PolarHBondContact O-N 2.88Å; L624-R627 WeakPolarHBondContact O-CB 3.3Å; L624-R627 PolarHBondContact O-N 2.82Å; L624-R628 PolarHBondContact O-N 3.4Å; L624-L638 HydrophobicContact CB-CD1 3.68Å; L624-L638 HydrophobicContact CB-CD2 4.06Å; L624-L638 HydrophobicContact CD1-CD2 3.94Å
625	I	85.9	Confident	83.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-44.5	176	-68.9	168.1	0	0	0	109.5	Y621 R627 R628 T629 A635 L638 T653 C656 L657	Y621-I625 WeakPolarHBondContact O-CB 3.26Å; Y621-I625 WeakPolarHBondContact O-CG1 2.94Å; Y621-I625 PolarHBondContact O-N 3.08Å; I625-R627 PolarHBondContact O-N 2.9Å; I625-R628 PolarHBondContact O-N 3.08Å; I625-T629 HydrophobicContact CG2-CG2 4.16Å; I625-T629 WeakPolarHBondContact O-CB 3.25Å; I625-T629 VanDerWaalsContact O-CG2 3.23Å; I625-T629 WeakPolarHBondContact O-CG2 3.33Å; I625-T629 PolarHBondContact O-N 3.12Å; I625-T629 PolarHBondContact O-OG1 2.97Å; I625-A635 HydrophobicContact CB-CB 4.32Å; I625-A635 HydrophobicContact CG1-CB 4.24Å; I625-A635 HydrophobicContact CG2-CB 3.9Å; I625-L638 HydrophobicContact CD1-CB 4.41Å; I625-L638 HydrophobicContact CG1-CB 3.75Å; I625-L638 HydrophobicContact CG1-CD1 3.93Å; I625-L638 HydrophobicContact CG1-CG 4.47Å; I625-T653 HydrophobicContact CD1-CG2 3.73Å; I625-C656 HydrophobicContact CB-CB 4.48Å; I625-C656 HydrophobicContact CG2-CB 3.79Å; I625-L657 HydrophobicContact CG2-CD2 3.62Å; I625-L657 HydrophobicContact CG2-CG 3.88Å
626	H	83.9	Confident	83.5	Confident	68 Å²	68	31.7 Å²	31.7	32%	0.315	19%	0.187	S	C	.	.	H	α-helix	trans	-61.8	-41.2	176	-177.8	-90.9	0	0	0	112.3	N622 A623 L624 T629 S630 C656	N622-H626 VanDerWaalsContact O-CB 3.23Å; N622-H626 WeakPolarHBondContact O-CB 3.43Å; N622-H626 PolarHBondContact O-N 3.45Å; A623-H626 PolarHBondContact O-N 3.16Å; L624-H626 VanDerWaalsContact C-N 3.31Å; L624-H626 PolarHBondContact O-N 2.88Å; H626-T629 WeakPolarHBondContact CA-OG1 2.88Å; H626-T629 PolarHBondContact O-OG1 3.25Å; H626-S630 PolarHBondContact CE1-OG 3.32Å; H626-S630 VanDerWaalsContact CE1-OG 3.27Å; H626-S630 PolarHBondContact NE2-OG 3.48Å; H626-S630 WeakPolarHBondContact O-CB 3.42Å; H626-S630 PolarHBondContact O-N 3.11Å; H626-S630 PolarHBondContact O-OG 3.43Å; H626-C656 HydrophobicContact CB-CB 4.39Å
627	R	83.9	Confident	83.5	Confident	23 Å²	23	30.9 Å²	30.9	9%	0.087	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-48.8	176.4	177.1	176.2	169.5	-104.4	-1.6	111.5	I580 P584 D599 W601 E602 A623 L624 I625 A631	I580-R627 HydrophobicContact CG2-CB 4.03Å; P584-R627 PolarHBondContact O-NE 3.41Å; P584-R627 PolarHBondContact O-NH2 3.05Å; D599-R627 VanDerWaalsContact CG-NH1 3.32Å; D599-R627 IonicContact OD1-CZ 2.72Å; D599-R627 IonicContact OD1-NH1 2.62Å; D599-R627 PolarHBondContact OD1-NH1 3.48Å; D599-R627 VanDerWaalsContact OD1-NH1 3.09Å; D599-R627 IonicContact OD1-NH2 2.82Å; D599-R627 IonicContact OD2-CZ 3Å; D599-R627 IonicContact OD2-NH1 2.62Å; D599-R627 PolarHBondContact OD2-NH1 3.15Å; D599-R627 IonicContact OD2-NH2 2.69Å; D599-R627 PolarHBondContact OD2-NH2 3.2Å; W601-R627 VanDerWaalsContact CD1-NH2 3.29Å; E602-R627 IonicContact OE1-NH1 2.95Å; E602-R627 PolarHBondContact OE1-NH1 3.13Å; A623-R627 WeakPolarHBondContact O-CB 3.13Å; A623-R627 PolarHBondContact O-N 2.75Å; L624-R627 WeakPolarHBondContact O-CB 3.3Å; L624-R627 PolarHBondContact O-N 2.82Å; I625-R627 PolarHBondContact O-N 2.9Å; R627-A631 PolarHBondContact O-N 3.31Å
628	R	83.9	Confident	83.5	Confident	19 Å²	19	29.2 Å²	29.2	7%	0.072	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-48	178.2	-75.5	-162.9	172	-145	0.8	113.1	A597 E602 L624 I625 S630 A631 G632 L633 A635 H637 L638	A597-R628 PolarHBondContact O-NH1 2.86Å; A597-R628 PolarHBondContact O-NH2 3.03Å; E602-R628 WeakPolarHBondContact OE1-CG 3.38Å; E602-R628 IonicContact OE1-CZ 3.58Å; E602-R628 IonicContact OE1-NE 2.66Å; E602-R628 PolarHBondContact OE1-NE 3.14Å; E602-R628 IonicContact OE1-NH2 3.18Å; E602-R628 IonicContact OE2-CZ 3.39Å; E602-R628 VanDerWaalsContact OE2-CZ 3.23Å; E602-R628 IonicContact OE2-NE 3.43Å; E602-R628 PolarHBondContact OE2-NE 3.16Å; E602-R628 VanDerWaalsContact OE2-NE 3.14Å; E602-R628 IonicContact OE2-NH2 3.08Å; E602-R628 PolarHBondContact OE2-NH2 3.15Å; L624-R628 PolarHBondContact O-N 3.4Å; I625-R628 PolarHBondContact O-N 3.08Å; R628-S630 VanDerWaalsContact C-N 3.29Å; R628-S630 PolarHBondContact O-N 3.3Å; R628-A631 PolarHBondContact O-N 3.42Å; R628-A631 VanDerWaalsContact O-N 3.12Å; R628-G632 PolarHBondContact O-N 2.98Å; R628-L633 HydrophobicContact CB-CB 4.37Å; R628-L633 PolarHBondContact O-N 3.5Å; R628-A635 HydrophobicContact CB-CB 4.33Å; R628-H637 VanDerWaalsContact CD-CE1 3.4Å; R628-H637 WeakPolarHBondContact CD-CE1 3.27Å; R628-H637 PolarHBondContact NE-CE1 3.39Å; R628-H637 PolarHBondContact NE-NE2 2.99Å; R628-H637 PolarHBondContact NH1-CE1 3.47Å; R628-H637 PolarHBondContact NH1-NE2 3.23Å; R628-L638 HydrophobicContact CG-CD1 4.25Å
629	T	82.2	Confident	83.5	Confident	8 Å²	8	29.2 Å²	29.2	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-34.4	-179.4	53.5	0	0	0	0	112	I625 H626 A631 G632 A635 C656	I625-T629 HydrophobicContact CG2-CG2 4.16Å; I625-T629 WeakPolarHBondContact O-CB 3.25Å; I625-T629 VanDerWaalsContact O-CG2 3.23Å; I625-T629 WeakPolarHBondContact O-CG2 3.33Å; I625-T629 PolarHBondContact O-N 3.12Å; I625-T629 PolarHBondContact O-OG1 2.97Å; H626-T629 WeakPolarHBondContact CA-OG1 2.88Å; H626-T629 PolarHBondContact O-OG1 3.25Å; T629-A631 VanDerWaalsContact C-N 3.32Å; T629-A631 PolarHBondContact O-N 2.99Å; T629-G632 PolarHBondContact O-N 3.17Å; T629-A635 HydrophobicContact CG2-CB 4.07Å; T629-C656 WeakPolarHBondContact CG2-O 3.34Å; T629-C656 PolarHBondContact OG1-O 3.33Å
630	S	77	Confident	83.5	Confident	60 Å²	60	27.4 Å²	27.4	42%	0.42	16%	0.163	S	C	.	.	H	α-helix	trans	-67.1	-29.8	174.3	-65.8	0	0	0	0	113.5	H626 R628	H626-S630 PolarHBondContact CE1-OG 3.32Å; H626-S630 VanDerWaalsContact CE1-OG 3.27Å; H626-S630 PolarHBondContact NE2-OG 3.48Å; H626-S630 WeakPolarHBondContact O-CB 3.42Å; H626-S630 PolarHBondContact O-N 3.11Å; H626-S630 PolarHBondContact O-OG 3.43Å; R628-S630 VanDerWaalsContact C-N 3.29Å; R628-S630 PolarHBondContact O-N 3.3Å
631	A	76.3	Confident	83.4	Confident	24 Å²	24	29 Å²	29	20%	0.198	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.8	171.6	0	0	0	0	0	113.1	P586 K588 R627 R628 T629 L633	P586-A631 HydrophobicContact CG-CB 3.59Å; K588-A631 WeakPolarHBondContact CE-O 3.4Å; K588-A631 PolarHBondContact NZ-O 3.21Å; R627-A631 PolarHBondContact O-N 3.31Å; R628-A631 PolarHBondContact O-N 3.42Å; R628-A631 VanDerWaalsContact O-N 3.12Å; T629-A631 VanDerWaalsContact C-N 3.32Å; T629-A631 PolarHBondContact O-N 2.99Å; A631-L633 HydrophobicContact CB-CG 4.44Å
632	G	75.2	Confident	83.4	Confident	33 Å²	33	28.9 Å²	28.9	34%	0.34	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	22.1	-176.1	0	0	0	0	0	114	R628 T629	R628-G632 PolarHBondContact O-N 2.98Å; T629-G632 PolarHBondContact O-N 3.17Å
633	L	80.1	Confident	83.4	Confident	48 Å²	48	32 Å²	32	25%	0.251	19%	0.19	S	C	.	.			trans	-95	156.8	174.4	-62.5	178.6	0	0	0	111.1	P586 K588 R628 A631	P586-L633 HydrophobicContact CB-CD1 3.54Å; P586-L633 HydrophobicContact CG-CD1 3.47Å; P586-L633 VanDerWaalsContact CG-CD1 3.47Å; P586-L633 HydrophobicContact CG-CG 4.49Å; K588-L633 HydrophobicContact CG-CD2 4.09Å; R628-L633 HydrophobicContact CB-CB 4.37Å; R628-L633 PolarHBondContact O-N 3.5Å; A631-L633 HydrophobicContact CB-CG 4.44Å
634	N	80.9	Confident	83.4	Confident	99 Å²	99	41.1 Å²	41.1	53%	0.529	22%	0.222	S	C	.	.			trans	-76.4	136.2	174.7	-168.3	-11.6	0	0	0	110.9	N636 H637	N634-N636 PolarHBondContact ND2-ND2 3.37Å; N634-N636 WeakPolarHBondContact OD1-CB 3.42Å; N634-N636 PolarHBondContact OD1-N 3.41Å; N634-N636 PolarHBondContact OD1-ND2 3.43Å; N634-N636 PolarHBondContact OD1-OD1 2.79Å; N634-N636 VanDerWaalsContact OD1-OD1 3.13Å; N634-H637 PolarHBondContact O-CE1 3.08Å
635	A	83.9	Confident	83.4	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	25%	0.246	C	C	.	.			trans	-109.5	13.1	-180	0	0	0	0	0	113.8	I625 R628 T629 H637 L638 L639 L657	I625-A635 HydrophobicContact CB-CB 4.32Å; I625-A635 HydrophobicContact CG1-CB 4.24Å; I625-A635 HydrophobicContact CG2-CB 3.9Å; R628-A635 HydrophobicContact CB-CB 4.33Å; T629-A635 HydrophobicContact CG2-CB 4.07Å; A635-H637 VanDerWaalsContact C-N 3.29Å; A635-H637 PolarHBondContact O-N 2.96Å; A635-L638 HydrophobicContact CB-CD1 4.47Å; A635-L638 WeakPolarHBondContact O-CB 3.45Å; A635-L638 PolarHBondContact O-N 2.77Å; A635-L638 VanDerWaalsContact O-N 3.07Å; A635-L639 PolarHBondContact O-N 3.29Å; A635-L639 VanDerWaalsContact O-N 3.08Å; A635-L657 HydrophobicContact CB-CD2 3.89Å
636	N	82.9	Confident	83.2	Confident	89 Å²	89	48.7 Å²	48.7	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-57	-36.2	-178.8	-73.5	-10.1	0	0	0	114	N634 L639 A640	N634-N636 PolarHBondContact ND2-ND2 3.37Å; N634-N636 WeakPolarHBondContact OD1-CB 3.42Å; N634-N636 PolarHBondContact OD1-N 3.41Å; N634-N636 PolarHBondContact OD1-ND2 3.43Å; N634-N636 PolarHBondContact OD1-OD1 2.79Å; N634-N636 VanDerWaalsContact OD1-OD1 3.13Å; N636-L639 WeakPolarHBondContact O-CB 3.42Å; N636-L639 PolarHBondContact O-N 2.91Å; N636-A640 WeakPolarHBondContact O-CB 3.44Å; N636-A640 PolarHBondContact O-N 3.09Å
637	H	84.3	Confident	83.3	Confident	17 Å²	17	47.4 Å²	47.4	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-38.4	175.1	66.4	-66.1	0	0	0	112.5	D596 R628 N634 A635 L639 A640 D641	D596-H637 HydrophobicContact CB-CB 3.73Å; R628-H637 VanDerWaalsContact CD-CE1 3.4Å; R628-H637 WeakPolarHBondContact CD-CE1 3.27Å; R628-H637 PolarHBondContact NE-CE1 3.39Å; R628-H637 PolarHBondContact NE-NE2 2.99Å; R628-H637 PolarHBondContact NH1-CE1 3.47Å; R628-H637 PolarHBondContact NH1-NE2 3.23Å; N634-H637 PolarHBondContact O-CE1 3.08Å; A635-H637 VanDerWaalsContact C-N 3.29Å; A635-H637 PolarHBondContact O-N 2.96Å; H637-L639 VanDerWaalsContact C-N 3.32Å; H637-A640 PolarHBondContact O-N 3.34Å; H637-D641 WeakPolarHBondContact O-CB 3.37Å; H637-D641 PolarHBondContact O-N 2.84Å
638	L	86.2	Confident	83.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-38.8	172.5	-76.8	167.6	0	0	0	111	F598 Y621 L624 I625 R628 A635 D641 M642	F598-L638 HydrophobicContact CD1-CD2 4.23Å; F598-L638 HydrophobicContact CE1-CD2 3.7Å; Y621-L638 HydrophobicContact CD1-CD2 4.25Å; Y621-L638 HydrophobicContact CE1-CD2 4.29Å; L624-L638 HydrophobicContact CB-CD1 3.68Å; L624-L638 HydrophobicContact CB-CD2 4.06Å; L624-L638 HydrophobicContact CD1-CD2 3.94Å; I625-L638 HydrophobicContact CD1-CB 4.41Å; I625-L638 HydrophobicContact CG1-CB 3.75Å; I625-L638 HydrophobicContact CG1-CD1 3.93Å; I625-L638 HydrophobicContact CG1-CG 4.47Å; R628-L638 HydrophobicContact CG-CD1 4.25Å; A635-L638 HydrophobicContact CB-CD1 4.47Å; A635-L638 WeakPolarHBondContact O-CB 3.45Å; A635-L638 PolarHBondContact O-N 2.77Å; A635-L638 VanDerWaalsContact O-N 3.07Å; L638-D641 PolarHBondContact O-N 3.19Å; L638-M642 VanDerWaalsContact O-CB 3.23Å; L638-M642 WeakPolarHBondContact O-CB 3.26Å; L638-M642 PolarHBondContact O-N 3.16Å
639	L	85.9	Confident	83.1	Confident	30 Å²	30	50.7 Å²	50.7	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-43.8	174.5	-172.6	67.9	0	0	0	111.1	A635 N636 H637 M642 T643 P649 T653 L657	A635-L639 PolarHBondContact O-N 3.29Å; A635-L639 VanDerWaalsContact O-N 3.08Å; N636-L639 WeakPolarHBondContact O-CB 3.42Å; N636-L639 PolarHBondContact O-N 2.91Å; H637-L639 VanDerWaalsContact C-N 3.32Å; L639-M642 PolarHBondContact O-N 2.93Å; L639-T643 WeakPolarHBondContact O-CG2 3.48Å; L639-T643 PolarHBondContact O-N 3.1Å; L639-T643 PolarHBondContact O-OG1 2.82Å; L639-P649 HydrophobicContact CD1-CB 4.07Å; L639-P649 HydrophobicContact CD1-CG 3.6Å; L639-T653 HydrophobicContact CD1-CG2 3.96Å; L639-L657 HydrophobicContact CD1-CD1 4.18Å; L639-L657 HydrophobicContact CD2-CD1 3.94Å
640	A	85.6	Confident	83	Confident	34 Å²	34	53 Å²	53	28%	0.281	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-42.9	176.2	0	0	0	0	0	111.6	N636 H637 T643 R644	N636-A640 WeakPolarHBondContact O-CB 3.44Å; N636-A640 PolarHBondContact O-N 3.09Å; H637-A640 PolarHBondContact O-N 3.34Å; A640-T643 WeakPolarHBondContact CA-OG1 3.48Å; A640-T643 PolarHBondContact O-N 3.04Å; A640-T643 PolarHBondContact O-OG1 3.32Å; A640-R644 WeakPolarHBondContact O-CB 3.48Å; A640-R644 VanDerWaalsContact O-CG 3.25Å; A640-R644 WeakPolarHBondContact O-CG 3.21Å; A640-R644 PolarHBondContact O-N 2.92Å
641	D	86.1	Confident	82.9	Confident	32 Å²	32	53.2 Å²	53.2	17%	0.171	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-43	177.1	-167.9	61.8	0	0	0	112.2	F598 Y621 H637 L638 T643 R644 N645	F598-D641 HydrophobicContact CZ-CB 4.18Å; Y621-D641 HydrophobicContact CE1-CB 4.33Å; Y621-D641 PolarHBondContact OH-OD2 2.88Å; H637-D641 WeakPolarHBondContact O-CB 3.37Å; H637-D641 PolarHBondContact O-N 2.84Å; L638-D641 PolarHBondContact O-N 3.19Å; D641-T643 VanDerWaalsContact C-N 3.34Å; D641-T643 PolarHBondContact O-N 3.44Å; D641-R644 WeakPolarHBondContact O-CB 3.27Å; D641-R644 PolarHBondContact O-N 3.23Å; D641-R644 VanDerWaalsContact O-N 3.16Å; D641-N645 PolarHBondContact O-N 2.96Å; D641-N645 PolarHBondContact O-ND2 3.03Å
642	M	88.1	Confident	82.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-55.1	-48.6	172.2	179.6	-176.3	176.3	0	0	111.4	T618 Y621 L638 L639 R644 N645 G646 L647 I648 P649 T653	T618-M642 HydrophobicContact CG2-CE 3.52Å; Y621-M642 HydrophobicContact CD1-CB 3.95Å; Y621-M642 HydrophobicContact CD2-CB 4Å; Y621-M642 HydrophobicContact CD2-CG 3.93Å; Y621-M642 HydrophobicContact CE1-CB 4.14Å; Y621-M642 HydrophobicContact CE2-CB 4.18Å; Y621-M642 HydrophobicContact CE2-CG 4.4Å; Y621-M642 HydrophobicContact CG-CB 3.9Å; Y621-M642 HydrophobicContact CG-CG 4.06Å; Y621-M642 HydrophobicContact CG-SD 4.45Å; L638-M642 VanDerWaalsContact O-CB 3.23Å; L638-M642 WeakPolarHBondContact O-CB 3.26Å; L638-M642 PolarHBondContact O-N 3.16Å; L639-M642 PolarHBondContact O-N 2.93Å; M642-R644 PolarHBondContact O-N 2.63Å; M642-N645 PolarHBondContact O-N 3.26Å; M642-G646 PolarHBondContact O-N 2.92Å; M642-L647 HydrophobicContact CE-CB 3.82Å; M642-L647 HydrophobicContact CG-CB 3.66Å; M642-L647 HydrophobicContact CG-CD1 4.27Å; M642-L647 PolarHBondContact O-N 2.75Å; M642-L647 VanDerWaalsContact O-N 3.14Å; M642-I648 VanDerWaalsContact CE-C 3.48Å; M642-I648 VanDerWaalsContact CE-O 3.27Å; M642-I648 WeakPolarHBondContact CE-O 3.46Å; M642-P649 HydrophobicContact CE-CG 4.49Å; M642-P649 HydrophobicContact SD-CG 4.38Å; M642-T653 HydrophobicContact SD-CG2 4.12Å
643	T	86	Confident	83.3	Confident	75 Å²	75	52.9 Å²	52.9	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-67.3	-33.8	178	58.1	0	0	0	0	113	L639 A640 D641 N645 G646 P649	L639-T643 WeakPolarHBondContact O-CG2 3.48Å; L639-T643 PolarHBondContact O-N 3.1Å; L639-T643 PolarHBondContact O-OG1 2.82Å; A640-T643 WeakPolarHBondContact CA-OG1 3.48Å; A640-T643 PolarHBondContact O-N 3.04Å; A640-T643 PolarHBondContact O-OG1 3.32Å; D641-T643 VanDerWaalsContact C-N 3.34Å; D641-T643 PolarHBondContact O-N 3.44Å; T643-N645 VanDerWaalsContact C-N 3.3Å; T643-N645 PolarHBondContact O-N 3.21Å; T643-G646 PolarHBondContact O-N 2.96Å; T643-G646 VanDerWaalsContact O-N 3.17Å; T643-P649 HydrophobicContact CG2-CG 4.23Å
644	R	86.9	Confident	83.5	Confident	202 Å²	202	51.5 Å²	51.5	76%	0.762	28%	0.278	S	S	*	.	H	α-helix	trans	-66.4	-32.3	174.8	-75.8	171.2	-177	177.7	2.4	112.2	A640 D641 M642 G646	A640-R644 WeakPolarHBondContact O-CB 3.48Å; A640-R644 VanDerWaalsContact O-CG 3.25Å; A640-R644 WeakPolarHBondContact O-CG 3.21Å; A640-R644 PolarHBondContact O-N 2.92Å; D641-R644 WeakPolarHBondContact O-CB 3.27Å; D641-R644 PolarHBondContact O-N 3.23Å; D641-R644 VanDerWaalsContact O-N 3.16Å; M642-R644 PolarHBondContact O-N 2.63Å; R644-G646 PolarHBondContact O-N 2.96Å
645	N	85.2	Confident	83.4	Confident	96 Å²	96	47.6 Å²	47.6	51%	0.513	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	9.1	175	-71.3	-30.6	0	0	0	113.5	Y621 D641 M642 T643 L647	Y621-N645 PolarHBondContact OH-ND2 2.94Å; D641-N645 PolarHBondContact O-N 2.96Å; D641-N645 PolarHBondContact O-ND2 3.03Å; M642-N645 PolarHBondContact O-N 3.26Å; T643-N645 VanDerWaalsContact C-N 3.3Å; T643-N645 PolarHBondContact O-N 3.21Å; N645-L647 VanDerWaalsContact C-N 3.3Å; N645-L647 PolarHBondContact O-N 3.45Å
646	G	82.2	Confident	83.3	Confident	64 Å²	64	48.3 Å²	48.3	66%	0.66	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	11.5	175.6	0	0	0	0	0	114.5	M642 T643 R644	M642-G646 PolarHBondContact O-N 2.92Å; T643-G646 PolarHBondContact O-N 2.96Å; T643-G646 VanDerWaalsContact O-N 3.17Å; R644-G646 PolarHBondContact O-N 2.96Å
647	L	85.5	Confident	83.3	Confident	41 Å²	41	44.6 Å²	44.6	22%	0.215	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-89.9	136.5	177.9	-60.2	173.7	0	0	0	110.6	Y621 M642 N645	Y621-L647 HydrophobicContact CD2-CD1 3.57Å; Y621-L647 HydrophobicContact CE2-CD1 3.63Å; M642-L647 HydrophobicContact CE-CB 3.82Å; M642-L647 HydrophobicContact CG-CB 3.66Å; M642-L647 HydrophobicContact CG-CD1 4.27Å; M642-L647 PolarHBondContact O-N 2.75Å; M642-L647 VanDerWaalsContact O-N 3.14Å; N645-L647 VanDerWaalsContact C-N 3.3Å; N645-L647 PolarHBondContact O-N 3.45Å
648	I	81.6	Confident	83.2	Confident	92 Å²	92	43.8 Å²	43.8	47%	0.472	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-92.9	125.8	180	-58	173.2	0	0	0	109.5	M642 N650 L682	M642-I648 VanDerWaalsContact CE-C 3.48Å; M642-I648 VanDerWaalsContact CE-O 3.27Å; M642-I648 WeakPolarHBondContact CE-O 3.46Å; I648-N650 PolarHBondContact O-N 3.35Å; I648-L682 HydrophobicContact CD1-CD2 3.77Å
649	P	82.3	Confident	82.6	Confident	20 Å²	20	48.6 Å²	48.6	13%	0.13	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57.1	121.8	173.7	-26.1	35.9	0	0	0	111.6	L639 M642 T643 T653 W654	L639-P649 HydrophobicContact CD1-CB 4.07Å; L639-P649 HydrophobicContact CD1-CG 3.6Å; M642-P649 HydrophobicContact CE-CG 4.49Å; M642-P649 HydrophobicContact SD-CG 4.38Å; T643-P649 HydrophobicContact CG2-CG 4.23Å; P649-T653 HydrophobicContact CB-CG2 3.99Å; P649-W654 HydrophobicContact CB-CZ2 4.3Å
650	N	81.4	Confident	82.1	Confident	56 Å²	56	48.3 Å²	48.3	30%	0.299	27%	0.265	S	S	.	.			trans	-93.3	176.5	176.3	68.3	9	0	0	0	111	T618 N622 I648 I652 T653 W654	T618-N650 HydrophobicContact CG2-CB 4.47Å; T618-N650 WeakPolarHBondContact CG2-ND2 3.34Å; N622-N650 PolarHBondContact ND2-OD1 3.43Å; N622-N650 VanDerWaalsContact ND2-OD1 3.08Å; I648-N650 PolarHBondContact O-N 3.35Å; N650-I652 PolarHBondContact O-N 3.47Å; N650-I652 VanDerWaalsContact O-N 3.15Å; N650-I652 WeakPolarHBondContact OD1-CB 3.29Å; N650-I652 PolarHBondContact OD1-N 3.22Å; N650-T653 PolarHBondContact N-OG1 3.43Å; N650-T653 VanDerWaalsContact N-OG1 3.16Å; N650-T653 VanDerWaalsContact O-CB 3.26Å; N650-T653 WeakPolarHBondContact O-CB 3.44Å; N650-T653 PolarHBondContact O-N 2.97Å; N650-T653 PolarHBondContact O-OG1 3.04Å; N650-T653 PolarHBondContact OD1-N 3.32Å; N650-T653 PolarHBondContact OD1-OG1 3.44Å; N650-W654 PolarHBondContact O-N 2.96Å
651	Q	74.8	Confident	81.7	Confident	64 Å²	64	47.3 Å²	47.3	30%	0.299	26%	0.256	S	S	.	.	H	α-helix	trans	-54.8	-34	179.8	-174.2	159.9	-2.6	0	0	113.5	E75 W654 G655 S706	E75-Q651 PolarHBondContact OE2-NE2 3.27Å; Q651-W654 PolarHBondContact O-N 3.46Å; Q651-G655 PolarHBondContact O-N 2.93Å; Q651-S706 PolarHBondContact NE2-OG 3.2Å
652	I	76.5	Confident	81.1	Confident	51 Å²	51	50 Å²	50	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-68.5	-41.9	176.7	-57.1	148.8	0	0	0	110.7	N622 N650 W654 G655 C656	N622-I652 HydrophobicContact CB-CG2 4.4Å; N650-I652 PolarHBondContact O-N 3.47Å; N650-I652 VanDerWaalsContact O-N 3.15Å; N650-I652 WeakPolarHBondContact OD1-CB 3.29Å; N650-I652 PolarHBondContact OD1-N 3.22Å; I652-W654 VanDerWaalsContact C-N 3.29Å; I652-W654 PolarHBondContact O-N 2.99Å; I652-G655 PolarHBondContact O-N 3.24Å; I652-G655 VanDerWaalsContact O-N 3.12Å; I652-C656 PolarHBondContact O-N 2.9Å; I652-C656 PolarHBondContact O-SG 3.05Å
653	T	82.9	Confident	80.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-53.9	-48.8	175.2	-48.1	0	0	0	0	110.8	N622 I625 L639 M642 P649 N650 C656 L657	N622-T653 PolarHBondContact ND2-OG1 3.09Å; N622-T653 WeakPolarHBondContact OD1-CA 3.47Å; N622-T653 WeakPolarHBondContact OD1-CB 3.33Å; N622-T653 WeakPolarHBondContact OD1-CG2 3.38Å; N622-T653 PolarHBondContact OD1-OG1 2.93Å; I625-T653 HydrophobicContact CD1-CG2 3.73Å; L639-T653 HydrophobicContact CD1-CG2 3.96Å; M642-T653 HydrophobicContact SD-CG2 4.12Å; P649-T653 HydrophobicContact CB-CG2 3.99Å; N650-T653 PolarHBondContact N-OG1 3.43Å; N650-T653 VanDerWaalsContact N-OG1 3.16Å; N650-T653 VanDerWaalsContact O-CB 3.26Å; N650-T653 WeakPolarHBondContact O-CB 3.44Å; N650-T653 PolarHBondContact O-N 2.97Å; N650-T653 PolarHBondContact O-OG1 3.04Å; N650-T653 PolarHBondContact OD1-N 3.32Å; N650-T653 PolarHBondContact OD1-OG1 3.44Å; T653-C656 PolarHBondContact O-N 3.32Å; T653-L657 HydrophobicContact CG2-CD1 4.45Å; T653-L657 WeakPolarHBondContact O-CG 3.35Å; T653-L657 PolarHBondContact O-N 3.01Å
654	W	83.4	Confident	80.4	Confident	19 Å²	19	51.5 Å²	51.5	7%	0.072	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-37.3	178.1	-65.9	108.9	0	0	0	112.7	P649 N650 Q651 I652 L657 A658 L670 G673 F674 A677 F709	P649-W654 HydrophobicContact CB-CZ2 4.3Å; N650-W654 PolarHBondContact O-N 2.96Å; Q651-W654 PolarHBondContact O-N 3.46Å; I652-W654 VanDerWaalsContact C-N 3.29Å; I652-W654 PolarHBondContact O-N 2.99Å; W654-L657 HydrophobicContact CE3-CD1 4.15Å; W654-L657 HydrophobicContact CZ3-CD1 4.36Å; W654-L657 PolarHBondContact O-N 3.42Å; W654-A658 WeakPolarHBondContact O-CB 3.31Å; W654-A658 PolarHBondContact O-N 3.47Å; W654-L670 HydrophobicContact CE3-CD1 3.55Å; W654-L670 HydrophobicContact CE3-CG 4.08Å; W654-L670 HydrophobicContact CZ3-CD1 3.8Å; W654-L670 HydrophobicContact CZ3-CG 4.45Å; W654-G673 WeakPolarHBondContact CH2-O 3.48Å; W654-G673 WeakPolarHBondContact CZ2-O 3.43Å; W654-F674 HydrophobicContact CB-CD2 3.66Å; W654-F674 HydrophobicContact CB-CE2 4.11Å; W654-F674 AromaticContact CD1-CD2 3.43Å; W654-F674 VanDerWaalsContact CD1-CD2 3.43Å; W654-F674 AromaticContact CD1-CE2 3.77Å; W654-F674 HydrophobicContact CD2-CB 4.11Å; W654-F674 AromaticContact CD2-CD2 3.86Å; W654-F674 HydrophobicContact CD2-CD2 3.86Å; W654-F674 HydrophobicContact CD2-CG 4.48Å; W654-F674 HydrophobicContact CE3-CB 4.19Å; W654-F674 HydrophobicContact CG-CB 4.5Å; W654-F674 AromaticContact CG-CD2 3.38Å; W654-F674 HydrophobicContact CG-CD2 3.38Å; W654-F674 HydrophobicContact CG-CE2 4.01Å; W654-F674 HydrophobicContact CG-CG 4.39Å; W654-F674 AromaticContact NE1-CD2 3.96Å; W654-A677 HydrophobicContact CZ2-CB 3.64Å; W654-F709 HydrophobicContact CB-CD2 4.34Å; W654-F709 HydrophobicContact CB-CE2 4.2Å; W654-F709 WeakPolarHBondContact O-CE2 3.33Å
655	G	80.2	Confident	80.2	Confident	16 Å²	16	47 Å²	47	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-42.4	171.9	0	0	0	0	0	113.3	Q651 I652 A658 R659	Q651-G655 PolarHBondContact O-N 2.93Å; I652-G655 PolarHBondContact O-N 3.24Å; I652-G655 VanDerWaalsContact O-N 3.12Å; G655-A658 VanDerWaalsContact O-CB 3.32Å; G655-A658 WeakPolarHBondContact O-CB 3.26Å; G655-A658 PolarHBondContact O-N 2.93Å; G655-R659 PolarHBondContact O-N 3.47Å
656	C	81.5	Confident	80	Confident	16 Å²	16	43.7 Å²	43.7	11%	0.108	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-44.4	175	-69.6	0	0	0	0	111.5	I625 H626 T629 I652 T653 A658 R659	I625-C656 HydrophobicContact CB-CB 4.48Å; I625-C656 HydrophobicContact CG2-CB 3.79Å; H626-C656 HydrophobicContact CB-CB 4.39Å; T629-C656 WeakPolarHBondContact CG2-O 3.34Å; T629-C656 PolarHBondContact OG1-O 3.33Å; I652-C656 PolarHBondContact O-N 2.9Å; I652-C656 PolarHBondContact O-SG 3.05Å; T653-C656 PolarHBondContact O-N 3.32Å; C656-A658 VanDerWaalsContact C-N 3.3Å; C656-A658 PolarHBondContact O-N 2.95Å; C656-R659 VanDerWaalsContact O-CB 3.28Å; C656-R659 WeakPolarHBondContact O-CB 3.14Å; C656-R659 PolarHBondContact O-N 3.35Å
657	L	83.6	Confident	80.1	Confident	12 Å²	12	40.6 Å²	40.6	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-34.8	176.1	-70	171.1	0	0	0	112.7	I625 A635 L639 T653 W654 R659 G660 C661 L670	I625-L657 HydrophobicContact CG2-CD2 3.62Å; I625-L657 HydrophobicContact CG2-CG 3.88Å; A635-L657 HydrophobicContact CB-CD2 3.89Å; L639-L657 HydrophobicContact CD1-CD1 4.18Å; L639-L657 HydrophobicContact CD2-CD1 3.94Å; T653-L657 HydrophobicContact CG2-CD1 4.45Å; T653-L657 WeakPolarHBondContact O-CG 3.35Å; T653-L657 PolarHBondContact O-N 3.01Å; W654-L657 HydrophobicContact CE3-CD1 4.15Å; W654-L657 HydrophobicContact CZ3-CD1 4.36Å; W654-L657 PolarHBondContact O-N 3.42Å; L657-R659 PolarHBondContact O-N 3.31Å; L657-G660 PolarHBondContact O-N 2.97Å; L657-G660 VanDerWaalsContact O-N 3.07Å; L657-C661 PolarHBondContact O-N 3.45Å; L657-L670 HydrophobicContact CB-CD1 3.53Å; L657-L670 HydrophobicContact CD1-CD1 4.18Å; L657-L670 HydrophobicContact CG-CD1 4.49Å
658	A	81.9	Confident	80	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-32.6	176.4	0	0	0	0	0	112.8	W654 G655 C656 G660 C661 L670 F709 I713	W654-A658 WeakPolarHBondContact O-CB 3.31Å; W654-A658 PolarHBondContact O-N 3.47Å; G655-A658 VanDerWaalsContact O-CB 3.32Å; G655-A658 WeakPolarHBondContact O-CB 3.26Å; G655-A658 PolarHBondContact O-N 2.93Å; C656-A658 VanDerWaalsContact C-N 3.3Å; C656-A658 PolarHBondContact O-N 2.95Å; A658-G660 VanDerWaalsContact C-N 3.3Å; A658-G660 PolarHBondContact O-N 3.27Å; A658-C661 WeakPolarHBondContact O-CB 3.37Å; A658-C661 PolarHBondContact O-N 2.85Å; A658-L670 VanDerWaalsContact CA-CD2 3.42Å; A658-L670 HydrophobicContact CB-CD2 3.7Å; A658-F709 HydrophobicContact CB-CD2 3.75Å; A658-F709 HydrophobicContact CB-CE2 3.64Å; A658-F709 HydrophobicContact CB-CG 4.33Å; A658-F709 HydrophobicContact CB-CZ 4.14Å; A658-I713 HydrophobicContact CB-CD1 3.95Å; A658-I713 HydrophobicContact CB-CG1 3.69Å
659	R	74.2	Confident	80.1	Confident	100 Å²	100	44.7 Å²	44.7	38%	0.377	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-34.7	176.9	-160.4	-175.8	-174.4	95.2	4.2	112.9	G655 C656 L657 C661 T712 T716	G655-R659 PolarHBondContact O-N 3.47Å; C656-R659 VanDerWaalsContact O-CB 3.28Å; C656-R659 WeakPolarHBondContact O-CB 3.14Å; C656-R659 PolarHBondContact O-N 3.35Å; L657-R659 PolarHBondContact O-N 3.31Å; R659-C661 VanDerWaalsContact C-N 3.32Å; R659-T712 HydrophobicContact CB-CG2 3.86Å; R659-T712 HydrophobicContact CG-CG2 4.02Å; R659-T716 HydrophobicContact CG-CG2 3.86Å
660	G	73.9	Confident	80.2	Confident	25 Å²	25	44.4 Å²	44.4	26%	0.258	22%	0.224	S	C	.	.	H	α-helix	trans	-79.6	-12.8	179.1	0	0	0	0	0	113.8	L657 A658 Q662	L657-G660 PolarHBondContact O-N 2.97Å; L657-G660 VanDerWaalsContact O-N 3.07Å; A658-G660 VanDerWaalsContact C-N 3.3Å; A658-G660 PolarHBondContact O-N 3.27Å; G660-Q662 PolarHBondContact O-N 3.45Å
661	C	76.9	Confident	80.2	Confident	12 Å²	12	42.1 Å²	42.1	8%	0.081	21%	0.212	C	C	.	.			trans	-74.5	116.2	178.8	-72.6	0	0	0	0	111.1	L657 A658 R659 S666 V667	L657-C661 PolarHBondContact O-N 3.45Å; A658-C661 WeakPolarHBondContact O-CB 3.37Å; A658-C661 PolarHBondContact O-N 2.85Å; R659-C661 VanDerWaalsContact C-N 3.32Å; C661-S666 WeakPolarHBondContact CA-OG 3.22Å; C661-S666 VanDerWaalsContact CB-OG 3.25Å; C661-S666 WeakPolarHBondContact CB-OG 3.45Å; C661-V667 HydrophobicContact CB-CG2 3.6Å
662	Q	73.9	Confident	80.6	Confident	89 Å²	89	47.3 Å²	47.3	42%	0.416	23%	0.229	S	C	.	.			trans	-108.7	-7.2	179.3	-64.1	179.2	13.9	0	0	113.2	G660 S666 Y808	G660-Q662 PolarHBondContact O-N 3.45Å; Q662-S666 PolarHBondContact N-OG 3.14Å; Q662-Y808 PolarHBondContact O-OH 3.47Å
663	T	79.1	Confident	80.8	Confident	52 Å²	52	46 Å²	46	32%	0.319	23%	0.228	S	C	.	.	S	Bend	trans	-130.9	158.8	-176.6	66.6	0	0	0	0	111.7	E665 S666 V667	T663-E665 PolarHBondContact O-N 3.24Å; T663-S666 PolarHBondContact N-OG 3.05Å; T663-S666 PolarHBondContact O-N 3.34Å; T663-S666 PolarHBondContact O-OG 3.35Å; T663-S666 PolarHBondContact OG1-N 3.46Å; T663-S666 VanDerWaalsContact OG1-N 3.17Å; T663-S666 PolarHBondContact OG1-OG 2.97Å; T663-V667 PolarHBondContact O-N 3.39Å; T663-V667 VanDerWaalsContact O-N 3.1Å
664	K	80.3	Confident	80.6	Confident	54 Å²	54	46.5 Å²	46.5	24%	0.235	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-36.8	174.2	-175.7	-178.5	-178.1	179.3	0	112.1	K668 F726	K664-K668 WeakPolarHBondContact O-CG 3.39Å; K664-K668 PolarHBondContact O-N 3.48Å; K664-F726 HydrophobicContact CG-CB 4.43Å; K664-F726 HydrophobicContact CG-CD1 4.31Å; K664-F726 HydrophobicContact CG-CG 4.16Å
665	E	82.3	Confident	80.4	Confident	108 Å²	108	49.5 Å²	49.5	51%	0.505	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-43.4	177.7	-69.1	62.5	-133.6	0	0	111	T663 V667 K668 Q669	T663-E665 PolarHBondContact O-N 3.24Å; E665-V667 VanDerWaalsContact C-N 3.35Å; E665-V667 PolarHBondContact O-N 2.92Å; E665-K668 PolarHBondContact O-N 3.49Å; E665-Q669 WeakPolarHBondContact O-CG 3.39Å; E665-Q669 PolarHBondContact O-N 3.16Å
666	S	82.4	Confident	80.3	Confident	26 Å²	26	53 Å²	53	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-39.7	178	73.2	0	0	0	0	111.4	C661 Q662 T663 Q669 L670	C661-S666 WeakPolarHBondContact CA-OG 3.22Å; C661-S666 VanDerWaalsContact CB-OG 3.25Å; C661-S666 WeakPolarHBondContact CB-OG 3.45Å; Q662-S666 PolarHBondContact N-OG 3.14Å; T663-S666 PolarHBondContact N-OG 3.05Å; T663-S666 PolarHBondContact O-N 3.34Å; T663-S666 PolarHBondContact O-OG 3.35Å; T663-S666 PolarHBondContact OG1-N 3.46Å; T663-S666 VanDerWaalsContact OG1-N 3.17Å; T663-S666 PolarHBondContact OG1-OG 2.97Å; S666-Q669 PolarHBondContact O-N 3.38Å; S666-L670 WeakPolarHBondContact O-CB 3.45Å; S666-L670 PolarHBondContact O-N 2.88Å
667	V	82.9	Confident	80	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-38.6	175	174.7	0	0	0	0	112	C661 T663 E665 L670 L671 I713 L723 F726	C661-V667 HydrophobicContact CB-CG2 3.6Å; T663-V667 PolarHBondContact O-N 3.39Å; T663-V667 VanDerWaalsContact O-N 3.1Å; E665-V667 VanDerWaalsContact C-N 3.35Å; E665-V667 PolarHBondContact O-N 2.92Å; V667-L670 PolarHBondContact O-N 2.89Å; V667-L671 HydrophobicContact CG1-CD1 4.03Å; V667-L671 HydrophobicContact CG1-CG 4.34Å; V667-L671 WeakPolarHBondContact O-CB 3.28Å; V667-L671 WeakPolarHBondContact O-CG 3.31Å; V667-L671 PolarHBondContact O-N 3.21Å; V667-I713 HydrophobicContact CG1-CD1 4.17Å; V667-I713 HydrophobicContact CG2-CD1 4.27Å; V667-I713 HydrophobicContact CG2-CG2 4.15Å; V667-L723 HydrophobicContact CB-CD1 4.12Å; V667-L723 HydrophobicContact CG2-CD1 3.68Å; V667-F726 HydrophobicContact CG1-CD1 4.47Å; V667-F726 HydrophobicContact CG1-CE1 4.08Å
668	K	83.5	Confident	79.4	Confident	78 Å²	78	54.3 Å²	54.3	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-41.7	173.3	-76.2	172.3	178.4	175.3	0	112.2	K664 E665 L670 R672 F726	K664-K668 WeakPolarHBondContact O-CG 3.39Å; K664-K668 PolarHBondContact O-N 3.48Å; E665-K668 PolarHBondContact O-N 3.49Å; K668-L670 VanDerWaalsContact C-N 3.34Å; K668-R672 WeakPolarHBondContact O-CG 3.3Å; K668-R672 PolarHBondContact O-N 2.8Å; K668-F726 HydrophobicContact CG-CE1 4.13Å; K668-F726 HydrophobicContact CG-CE2 4.38Å; K668-F726 HydrophobicContact CG-CZ 3.7Å
669	Q	83.8	Confident	78.7	Confident	140 Å²	140	58.9 Å²	58.9	65%	0.654	31%	0.305	S	S	*	.	H	α-helix	trans	-63.8	-42.4	175.6	-73.7	175.2	-11	0	0	111	E665 S666 R672 G673	E665-Q669 WeakPolarHBondContact O-CG 3.39Å; E665-Q669 PolarHBondContact O-N 3.16Å; S666-Q669 PolarHBondContact O-N 3.38Å; Q669-R672 PolarHBondContact O-N 3.17Å; Q669-G673 PolarHBondContact O-N 3.47Å
670	L	84.3	Confident	78.1	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-45.9	176.8	-170.7	74.5	0	0	0	112.1	W654 L657 A658 S666 V667 K668 G673 F674 F709	W654-L670 HydrophobicContact CE3-CD1 3.55Å; W654-L670 HydrophobicContact CE3-CG 4.08Å; W654-L670 HydrophobicContact CZ3-CD1 3.8Å; W654-L670 HydrophobicContact CZ3-CG 4.45Å; L657-L670 HydrophobicContact CB-CD1 3.53Å; L657-L670 HydrophobicContact CD1-CD1 4.18Å; L657-L670 HydrophobicContact CG-CD1 4.49Å; A658-L670 VanDerWaalsContact CA-CD2 3.42Å; A658-L670 HydrophobicContact CB-CD2 3.7Å; S666-L670 WeakPolarHBondContact O-CB 3.45Å; S666-L670 PolarHBondContact O-N 2.88Å; V667-L670 PolarHBondContact O-N 2.89Å; K668-L670 VanDerWaalsContact C-N 3.34Å; L670-G673 PolarHBondContact O-N 3.38Å; L670-F674 WeakPolarHBondContact O-CB 3.36Å; L670-F674 PolarHBondContact O-N 3.37Å; L670-F709 HydrophobicContact CD2-CE2 3.51Å; L670-F709 HydrophobicContact CD2-CZ 3.48Å; L670-F709 VanDerWaalsContact CD2-CZ 3.48Å; L670-F709 HydrophobicContact CG-CE2 4.15Å; L670-F709 HydrophobicContact CG-CZ 4.12Å
671	L	82.8	Confident	76.8	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-40.1	177	-72.2	171.4	0	0	0	111.9	V667 F674 E675 P705 F709 F710 F726 Y730	V667-L671 HydrophobicContact CG1-CD1 4.03Å; V667-L671 HydrophobicContact CG1-CG 4.34Å; V667-L671 WeakPolarHBondContact O-CB 3.28Å; V667-L671 WeakPolarHBondContact O-CG 3.31Å; V667-L671 PolarHBondContact O-N 3.21Å; L671-F674 WeakPolarHBondContact O-CB 3.02Å; L671-F674 PolarHBondContact O-N 3.22Å; L671-E675 WeakPolarHBondContact O-CB 3.2Å; L671-E675 VanDerWaalsContact O-CG 3.31Å; L671-E675 WeakPolarHBondContact O-CG 3.3Å; L671-E675 PolarHBondContact O-N 3.23Å; L671-P705 HydrophobicContact CD2-CG 3.92Å; L671-F709 HydrophobicContact CD2-CE1 3.84Å; L671-F709 HydrophobicContact CD2-CZ 3.99Å; L671-F710 HydrophobicContact CD2-CE1 4.41Å; L671-F726 HydrophobicContact CD1-CE1 4.21Å; L671-F726 HydrophobicContact CD1-CZ 4.48Å; L671-Y730 HydrophobicContact CD1-CD1 4.33Å; L671-Y730 HydrophobicContact CD1-CD2 4.07Å; L671-Y730 HydrophobicContact CD1-CE1 4.19Å; L671-Y730 HydrophobicContact CD1-CE2 3.92Å; L671-Y730 HydrophobicContact CD1-CG 4.27Å; L671-Y730 HydrophobicContact CD2-CE1 4.06Å
672	R	81.9	Confident	75.4	Confident	172 Å²	172	66.3 Å²	66.3	65%	0.649	35%	0.354	S	S	*	.	H	α-helix	trans	-62.8	-42	172.5	-74.5	176.7	-178.8	-174.4	-1.1	111.9	K668 Q669 F674 E675 V676	K668-R672 WeakPolarHBondContact O-CG 3.3Å; K668-R672 PolarHBondContact O-N 2.8Å; Q669-R672 PolarHBondContact O-N 3.17Å; R672-F674 VanDerWaalsContact C-N 3.34Å; R672-E675 PolarHBondContact O-N 2.92Å; R672-V676 VanDerWaalsContact O-CG2 3.25Å; R672-V676 WeakPolarHBondContact O-CG2 3.05Å; R672-V676 PolarHBondContact O-N 2.98Å
673	G	80.2	Confident	73.7	Confident	24 Å²	24	65.7 Å²	65.7	25%	0.247	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-42.5	175.4	0	0	0	0	0	112.1	W654 Q669 L670 V676 A677	W654-G673 WeakPolarHBondContact CH2-O 3.48Å; W654-G673 WeakPolarHBondContact CZ2-O 3.43Å; Q669-G673 PolarHBondContact O-N 3.47Å; L670-G673 PolarHBondContact O-N 3.38Å; G673-V676 PolarHBondContact O-N 3.49Å; G673-A677 WeakPolarHBondContact O-CB 3.34Å; G673-A677 PolarHBondContact O-N 3.29Å
674	F	80.5	Confident	71.6	Confident	11 Å²	11	67.9 Å²	67.9	5%	0.048	38%	0.377	C	S	.	.	H	α-helix	trans	-61.1	-48.2	175.3	-174.7	-83.4	0	0	0	111.6	W654 L670 L671 R672 V676 A677 A678 I703 P705	W654-F674 HydrophobicContact CB-CD2 3.66Å; W654-F674 HydrophobicContact CB-CE2 4.11Å; W654-F674 AromaticContact CD1-CD2 3.43Å; W654-F674 VanDerWaalsContact CD1-CD2 3.43Å; W654-F674 AromaticContact CD1-CE2 3.77Å; W654-F674 HydrophobicContact CD2-CB 4.11Å; W654-F674 AromaticContact CD2-CD2 3.86Å; W654-F674 HydrophobicContact CD2-CD2 3.86Å; W654-F674 HydrophobicContact CD2-CG 4.48Å; W654-F674 HydrophobicContact CE3-CB 4.19Å; W654-F674 HydrophobicContact CG-CB 4.5Å; W654-F674 AromaticContact CG-CD2 3.38Å; W654-F674 HydrophobicContact CG-CD2 3.38Å; W654-F674 HydrophobicContact CG-CE2 4.01Å; W654-F674 HydrophobicContact CG-CG 4.39Å; W654-F674 AromaticContact NE1-CD2 3.96Å; L670-F674 WeakPolarHBondContact O-CB 3.36Å; L670-F674 PolarHBondContact O-N 3.37Å; L671-F674 WeakPolarHBondContact O-CB 3.02Å; L671-F674 PolarHBondContact O-N 3.22Å; R672-F674 VanDerWaalsContact C-N 3.34Å; F674-V676 PolarHBondContact O-N 3.24Å; F674-A677 PolarHBondContact O-N 2.94Å; F674-A678 WeakPolarHBondContact O-CB 3.2Å; F674-A678 PolarHBondContact O-N 3.12Å; F674-I703 HydrophobicContact CE1-CB 4.36Å; F674-I703 HydrophobicContact CE1-CG2 4.05Å; F674-I703 WeakPolarHBondContact CE1-O 3.03Å; F674-I703 HydrophobicContact CZ-CG2 4.01Å; F674-P705 HydrophobicContact CD1-CG 3.84Å; F674-P705 HydrophobicContact CD2-CG 4.43Å; F674-P705 HydrophobicContact CE1-CB 4.49Å; F674-P705 HydrophobicContact CE1-CG 3.81Å; F674-P705 HydrophobicContact CE2-CB 4.47Å; F674-P705 HydrophobicContact CE2-CG 4.41Å; F674-P705 HydrophobicContact CG-CG 4.18Å; F674-P705 HydrophobicContact CZ-CB 4.32Å; F674-P705 HydrophobicContact CZ-CG 4.11Å
675	E	78.7	Confident	69.6	Low	82 Å²	82	69.6 Å²	69.6	38%	0.383	40%	0.396	S	S	.	.	H	α-helix	trans	-60.4	-44.6	177.1	-74.2	168.8	-175.1	0	0	111.4	L671 R672 A678 T679 Y730	L671-E675 WeakPolarHBondContact O-CB 3.2Å; L671-E675 VanDerWaalsContact O-CG 3.31Å; L671-E675 WeakPolarHBondContact O-CG 3.3Å; L671-E675 PolarHBondContact O-N 3.23Å; R672-E675 PolarHBondContact O-N 2.92Å; E675-A678 PolarHBondContact O-N 3.33Å; E675-T679 VanDerWaalsContact O-CG2 3.32Å; E675-T679 WeakPolarHBondContact O-CG2 3.46Å; E675-T679 PolarHBondContact O-N 3.43Å; E675-T679 PolarHBondContact O-OG1 2.94Å; E675-Y730 PolarHBondContact OE1-OH 3.48Å
676	V	78	Confident	67.5	Low	90 Å²	90	69.2 Å²	69.2	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-61.8	-46.6	176.8	171.4	0	0	0	0	111	R672 G673 F674 A678 T679 T680	R672-V676 VanDerWaalsContact O-CG2 3.25Å; R672-V676 WeakPolarHBondContact O-CG2 3.05Å; R672-V676 PolarHBondContact O-N 2.98Å; G673-V676 PolarHBondContact O-N 3.49Å; F674-V676 PolarHBondContact O-N 3.24Å; V676-A678 VanDerWaalsContact C-N 3.3Å; V676-A678 PolarHBondContact O-N 3.34Å; V676-T679 WeakPolarHBondContact CA-OG1 3.13Å; V676-T679 PolarHBondContact O-N 3.4Å; V676-T679 PolarHBondContact O-OG1 3.01Å; V676-T680 PolarHBondContact O-N 3.34Å; V676-T680 PolarHBondContact O-OG1 2.89Å
677	A	74.8	Confident	65.3	Low	24 Å²	24	73.8 Å²	73.8	20%	0.198	42%	0.419	C	S	.	.	H	α-helix	trans	-65.1	-33.3	178.7	0	0	0	0	0	112.9	W654 G673 F674 T679 T680	W654-A677 HydrophobicContact CZ2-CB 3.64Å; G673-A677 WeakPolarHBondContact O-CB 3.34Å; G673-A677 PolarHBondContact O-N 3.29Å; F674-A677 PolarHBondContact O-N 2.94Å; A677-T679 VanDerWaalsContact C-N 3.29Å; A677-T680 WeakPolarHBondContact CA-OG1 3.39Å; A677-T680 PolarHBondContact O-OG1 3.26Å
678	A	70.1	Confident	63	Low	30 Å²	30	82.6 Å²	82.6	25%	0.248	46%	0.46	C	S	.	.	H	α-helix	trans	-68.1	-28.4	172.6	0	0	0	0	0	112.7	F674 E675 V676 I703	F674-A678 WeakPolarHBondContact O-CB 3.2Å; F674-A678 PolarHBondContact O-N 3.12Å; E675-A678 PolarHBondContact O-N 3.33Å; V676-A678 VanDerWaalsContact C-N 3.3Å; V676-A678 PolarHBondContact O-N 3.34Å; A678-I703 HydrophobicContact CB-CB 3.81Å; A678-I703 HydrophobicContact CB-CD1 3.84Å; A678-I703 HydrophobicContact CB-CG1 4.01Å
679	T	67.3	Low	60.8	Low	96 Å²	96	82.9 Å²	82.9	59%	0.589	48%	0.477	S	S	*	.	H	α-helix	trans	-91.1	-13.6	179.8	59.2	0	0	0	0	114.8	E675 V676 A677 P681	E675-T679 VanDerWaalsContact O-CG2 3.32Å; E675-T679 WeakPolarHBondContact O-CG2 3.46Å; E675-T679 PolarHBondContact O-N 3.43Å; E675-T679 PolarHBondContact O-OG1 2.94Å; V676-T679 WeakPolarHBondContact CA-OG1 3.13Å; V676-T679 PolarHBondContact O-N 3.4Å; V676-T679 PolarHBondContact O-OG1 3.01Å; A677-T679 VanDerWaalsContact C-N 3.29Å; T679-P681 WeakPolarHBondContact O-CD 3.19Å
680	T	61.6	Low	58.2	Low	87 Å²	87	82.2 Å²	82.2	53%	0.534	48%	0.478	S	S	.	.	S	Bend	trans	-69.1	117.9	177.6	22	0	0	0	0	110.7	V676 A677 L682	V676-T680 PolarHBondContact O-N 3.34Å; V676-T680 PolarHBondContact O-OG1 2.89Å; A677-T680 WeakPolarHBondContact CA-OG1 3.39Å; A677-T680 PolarHBondContact O-OG1 3.26Å; T680-L682 PolarHBondContact O-N 2.85Å
681	P	48.3	Very low	55.6	Low	112 Å²	112	87.2 Å²	87.2	73%	0.727	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-65.2	131.5	178	25.1	-31.1	0	0	0	110.2	T679 S683	T679-P681 WeakPolarHBondContact O-CD 3.19Å; P681-S683 PolarHBondContact O-N 3.18Å
682	L	47.1	Very low	53.3	Low	94 Å²	94	93 Å²	93	49%	0.492	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-46.9	133.9	170.7	-71.5	149.9	0	0	0	109.5	I648 T680	I648-L682 HydrophobicContact CD1-CD2 3.77Å; T680-L682 PolarHBondContact O-N 2.85Å
683	S	38	Very low	50.8	Low	77 Å²	77	89.1 Å²	89.1	54%	0.538	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-52	147.3	-173.5	43.6	0	0	0	0	113	P681 S685 D686	P681-S683 PolarHBondContact O-N 3.18Å; S683-S685 PolarHBondContact O-N 3.03Å; S683-D686 PolarHBondContact O-N 2.8Å
684	S	34.8	Very low	48.3	Very low	98 Å²	98	100.1 Å²	100.1	69%	0.685	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	3.1	-171.8	50.3	0	0	0	0	118.4
685	S	37.4	Very low	45.8	Very low	90 Å²	90	108.4 Å²	108.4	63%	0.629	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-26.5	171.7	53.9	0	0	0	0	113.2	S683	S683-S685 PolarHBondContact O-N 3.03Å
686	D	38.2	Very low	43.5	Very low	99 Å²	99	112.8 Å²	112.8	53%	0.529	64%	0.637	S	S	.	*	S	Bend	trans	-94.7	-10.8	-175.7	-57.5	-22.6	0	0	0	112.4	S683	S683-D686 PolarHBondContact O-N 2.8Å
687	L	37	Very low	41.1	Very low	122 Å²	122	114.1 Å²	114.1	64%	0.639	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-11.5	-178.4	-76	166.2	0	0	0	114
688	E	34.4	Very low	38.8	Very low	186 Å²	186	120.5 Å²	120.5	87%	0.869	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-9.1	178.4	-68.8	-167.9	163.9	0	0	113.8
689	A	36.5	Very low	36.9	Very low	84 Å²	84	125.1 Å²	125.1	69%	0.694	69%	0.693	S	S	*	*	S	Bend	trans	-87.7	-17.5	176.4	0	0	0	0	0	113.9
690	N	31.2	Very low	35.2	Very low	126 Å²	126	124.1 Å²	124.1	67%	0.674	69%	0.69	S	S	*	*			trans	-118.2	84.8	-174.2	-75.4	-28.2	0	0	0	111.7	I692	N690-I692 VanDerWaalsContact C-N 3.33Å; N690-I692 PolarHBondContact O-N 2.83Å
691	S	28.8	Very low	34.2	Very low	120 Å²	120	126 Å²	126	84%	0.839	70%	0.696	S	S	*	*			trans	-74.5	81.7	169.7	53	0	0	0	0	111.1
692	I	35	Very low	34.1	Very low	128 Å²	128	125.1 Å²	125.1	66%	0.656	69%	0.685	S	S	*	*			trans	-128	131.9	167.2	-56.9	178.7	0	0	0	109.7	N690	N690-I692 VanDerWaalsContact C-N 3.33Å; N690-I692 PolarHBondContact O-N 2.83Å
693	S	29.1	Very low	34.7	Very low	92 Å²	92	123.7 Å²	123.7	64%	0.643	68%	0.677	S	S	*	*			trans	-51.6	133.3	-169.2	40	0	0	0	0	116.3	E695	S693-E695 PolarHBondContact O-N 3.38Å
694	R	27.1	Very low	36	Very low	254 Å²	254	123.2 Å²	123.2	96%	0.958	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	17.2	178.9	-87.9	-178.9	170.5	173.9	-2.2	118
695	E	28.9	Very low	37.8	Very low	185 Å²	185	118.7 Å²	118.7	86%	0.864	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	10.2	-170.3	-73.3	-172.3	163.8	0	0	116.4	S693	S693-E695 PolarHBondContact O-N 3.38Å
696	Q	29.3	Very low	39.5	Very low	174 Å²	174	115.2 Å²	115.2	81%	0.813	61%	0.607	S	S	*	*	S	Bend	trans	-130	111.5	174.5	-70	-176	-18.4	0	0	112.3
697	N	27.4	Very low	41.2	Very low	119 Å²	119	111.6 Å²	111.6	64%	0.636	59%	0.587	S	S	*	*			trans	63.5	81.8	163.6	-68.2	-7.2	0	0	0	118.5	Q699	N697-Q699 HydrophobicContact CB-CB 4.36Å; N697-Q699 HydrophobicContact CB-CG 4.14Å; N697-Q699 PolarHBondContact ND2-OE1 2.95Å; N697-Q699 VanDerWaalsContact ND2-OE1 3.11Å; N697-Q699 PolarHBondContact O-N 2.76Å
698	V	27.4	Very low	42.6	Very low	157 Å²	157	107 Å²	107	95%	0.952	56%	0.564	S	S	*	*			trans	-64.3	73.6	137.6	-176.2	0	0	0	0	107.8
699	Q	29.8	Very low	44.5	Very low	127 Å²	127	98.2 Å²	98.2	59%	0.593	52%	0.523	S	S	*	.			trans	-103.6	102.2	161.6	-81.1	172.8	-28.2	0	0	105.3	N697 L701	N697-Q699 HydrophobicContact CB-CB 4.36Å; N697-Q699 HydrophobicContact CB-CG 4.14Å; N697-Q699 PolarHBondContact ND2-OE1 2.95Å; N697-Q699 VanDerWaalsContact ND2-OE1 3.11Å; N697-Q699 PolarHBondContact O-N 2.76Å; Q699-L701 PolarHBondContact O-N 2.98Å
700	S	32.1	Very low	46.6	Very low	76 Å²	76	94.3 Å²	94.3	53%	0.531	49%	0.49	S	S	.	.			trans	-50.2	104.8	171.9	51	0	0	0	0	109.3	I702	S700-I702 VanDerWaalsContact C-N 3.32Å; S700-I702 PolarHBondContact O-N 3.41Å
701	L	40.5	Very low	48.7	Very low	125 Å²	125	88.9 Å²	88.9	65%	0.654	46%	0.462	S	S	*	.			trans	-62.5	99.6	165.9	-109.4	90.8	0	0	0	106.3	Q699 I703	Q699-L701 PolarHBondContact O-N 2.98Å; L701-I703 VanDerWaalsContact C-N 3.31Å; L701-I703 PolarHBondContact O-N 3.29Å
702	I	47.2	Very low	50.9	Low	94 Å²	94	84.3 Å²	84.3	48%	0.482	43%	0.429	S	S	.	.			trans	-73.1	93.4	173.7	-61.2	172.6	0	0	0	106.2	S700 R704	S700-I702 VanDerWaalsContact C-N 3.32Å; S700-I702 PolarHBondContact O-N 3.41Å; I702-R704 PolarHBondContact O-N 3.35Å
703	I	59.1	Low	53.1	Low	64 Å²	64	78.2 Å²	78.2	33%	0.328	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-62.5	126.2	172.3	-55.7	178	0	0	0	107.3	F674 A678 L701	F674-I703 HydrophobicContact CE1-CB 4.36Å; F674-I703 HydrophobicContact CE1-CG2 4.05Å; F674-I703 WeakPolarHBondContact CE1-O 3.03Å; F674-I703 HydrophobicContact CZ-CG2 4.01Å; A678-I703 HydrophobicContact CB-CB 3.81Å; A678-I703 HydrophobicContact CB-CD1 3.84Å; A678-I703 HydrophobicContact CB-CG1 4.01Å; L701-I703 VanDerWaalsContact C-N 3.31Å; L701-I703 PolarHBondContact O-N 3.29Å
704	R	65.6	Low	55.7	Low	68 Å²	68	73.8 Å²	73.8	26%	0.257	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-98.2	135.9	179.8	-169.8	-178.8	-175.3	-177.8	3.4	109.6	I702 M731 F764	I702-R704 PolarHBondContact O-N 3.35Å; R704-M731 PolarHBondContact NH2-O 2.82Å; R704-F764 HydrophobicContact CG-CZ 4.19Å; R704-F764 VanDerWaalsContact NH2-CE2 3.3Å
705	P	72.2	Confident	58	Low	3 Å²	3	63.9 Å²	63.9	2%	0.019	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-58.2	146.2	173	-21.5	30.7	0	0	0	111.8	L671 F674 F709 F710 F764	L671-P705 HydrophobicContact CD2-CG 3.92Å; F674-P705 HydrophobicContact CD1-CG 3.84Å; F674-P705 HydrophobicContact CD2-CG 4.43Å; F674-P705 HydrophobicContact CE1-CB 4.49Å; F674-P705 HydrophobicContact CE1-CG 3.81Å; F674-P705 HydrophobicContact CE2-CB 4.47Å; F674-P705 HydrophobicContact CE2-CG 4.41Å; F674-P705 HydrophobicContact CG-CG 4.18Å; F674-P705 HydrophobicContact CZ-CB 4.32Å; F674-P705 HydrophobicContact CZ-CG 4.11Å; P705-F709 HydrophobicContact CB-CB 4.17Å; P705-F709 HydrophobicContact CB-CD1 3.73Å; P705-F709 HydrophobicContact CB-CD2 4.41Å; P705-F709 HydrophobicContact CB-CE1 4.17Å; P705-F709 HydrophobicContact CB-CG 3.88Å; P705-F709 HydrophobicContact CG-CD1 4.48Å; P705-F709 HydrophobicContact CG-CE1 4.46Å; P705-F710 HydrophobicContact CB-CE2 3.96Å; P705-F710 HydrophobicContact CB-CZ 3.96Å; P705-F710 HydrophobicContact CG-CE2 4.48Å; P705-F710 HydrophobicContact CG-CZ 4.08Å; P705-F764 VanDerWaalsContact O-CZ 3.26Å; P705-F764 WeakPolarHBondContact O-CZ 3.49Å
706	S	71.8	Confident	60.2	Low	16 Å²	16	57.7 Å²	57.7	11%	0.112	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-63.4	160.7	177.3	33.9	0	0	0	0	112.4	E75 Q651 T708 F709 F710	E75-S706 VanDerWaalsContact OE2-CB 3.23Å; E75-S706 WeakPolarHBondContact OE2-CB 2.96Å; E75-S706 PolarHBondContact OE2-OG 3.16Å; Q651-S706 PolarHBondContact NE2-OG 3.2Å; S706-T708 WeakPolarHBondContact CB-OG1 3.13Å; S706-T708 PolarHBondContact O-N 3Å; S706-T708 VanDerWaalsContact O-N 3.12Å; S706-T708 PolarHBondContact OG-OG1 3.21Å; S706-F709 WeakPolarHBondContact O-CB 3.3Å; S706-F709 PolarHBondContact O-N 3.47Å; S706-F710 VanDerWaalsContact O-CD2 3.32Å; S706-F710 WeakPolarHBondContact O-CD2 3.26Å; S706-F710 PolarHBondContact O-N 2.97Å
707	F	74.8	Confident	62.4	Low	24 Å²	24	50.1 Å²	50.1	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-55.4	-29.5	169.4	-176.7	-103.3	0	0	0	112.5	F710 S711 M731 F764 D767 V770 W825	F707-F710 PolarHBondContact O-N 3.12Å; F707-S711 VanDerWaalsContact O-CB 3.28Å; F707-S711 WeakPolarHBondContact O-CB 3.29Å; F707-S711 PolarHBondContact O-N 3.07Å; F707-M731 HydrophobicContact CD2-SD 4.37Å; F707-M731 HydrophobicContact CE2-SD 4.41Å; F707-F764 HydrophobicContact CB-CB 4.05Å; F707-F764 HydrophobicContact CB-CD1 3.52Å; F707-F764 HydrophobicContact CB-CE1 4.09Å; F707-F764 HydrophobicContact CB-CG 3.9Å; F707-F764 HydrophobicContact CD2-CB 3.29Å; F707-F764 HydrophobicContact CD2-CD1 4.24Å; F707-F764 HydrophobicContact CD2-CD2 4.22Å; F707-F764 AromaticContact CD2-CG 3.7Å; F707-F764 HydrophobicContact CD2-CG 3.7Å; F707-F764 HydrophobicContact CE2-CB 4.05Å; F707-F764 HydrophobicContact CG-CB 3.95Å; F707-F764 HydrophobicContact CG-CD1 4.33Å; F707-F764 HydrophobicContact CG-CG 4.24Å; F707-D767 HydrophobicContact CD1-CB 4.32Å; F707-D767 HydrophobicContact CE1-CB 3.37Å; F707-D767 HydrophobicContact CZ-CB 3.98Å; F707-V770 HydrophobicContact CE1-CG2 4.07Å; F707-V770 HydrophobicContact CZ-CB 4.46Å; F707-V770 HydrophobicContact CZ-CG2 4.14Å; F707-W825 HydrophobicContact CE2-CZ2 4.47Å
708	T	66.6	Low	64.9	Low	25 Å²	25	44.8 Å²	44.8	15%	0.153	25%	0.251	C	S	.	.	H	α-helix	trans	-72.2	-37.2	-174.1	60.8	0	0	0	0	111.6	E75 N76 S706 F710 S711 T712	E75-T708 HydrophobicContact CB-CG2 4.15Å; E75-T708 WeakPolarHBondContact O-CB 3.49Å; E75-T708 WeakPolarHBondContact O-CG2 3.21Å; E75-T708 PolarHBondContact O-OG1 3.35Å; N76-T708 HydrophobicContact CB-CG2 4.26Å; N76-T708 WeakPolarHBondContact ND2-CG2 3.49Å; N76-T708 WeakPolarHBondContact OD1-CB 3.3Å; S706-T708 WeakPolarHBondContact CB-OG1 3.13Å; S706-T708 PolarHBondContact O-N 3Å; S706-T708 VanDerWaalsContact O-N 3.12Å; S706-T708 PolarHBondContact OG-OG1 3.21Å; T708-F710 PolarHBondContact O-N 3.17Å; T708-S711 PolarHBondContact O-N 3.39Å; T708-T712 WeakPolarHBondContact O-CB 3.16Å; T708-T712 PolarHBondContact O-N 2.87Å; T708-T712 PolarHBondContact O-OG1 3.46Å
709	F	74.3	Confident	67.5	Low	2 Å²	2	37.5 Å²	37.5	1%	0.009	21%	0.206	C	C	.	.	H	α-helix	trans	-53.3	-51.6	165.1	173.9	-84.5	0	0	0	111.2	W654 A658 L670 L671 P705 S706 T712 I713	W654-F709 HydrophobicContact CB-CD2 4.34Å; W654-F709 HydrophobicContact CB-CE2 4.2Å; W654-F709 WeakPolarHBondContact O-CE2 3.33Å; A658-F709 HydrophobicContact CB-CD2 3.75Å; A658-F709 HydrophobicContact CB-CE2 3.64Å; A658-F709 HydrophobicContact CB-CG 4.33Å; A658-F709 HydrophobicContact CB-CZ 4.14Å; L670-F709 HydrophobicContact CD2-CE2 3.51Å; L670-F709 HydrophobicContact CD2-CZ 3.48Å; L670-F709 VanDerWaalsContact CD2-CZ 3.48Å; L670-F709 HydrophobicContact CG-CE2 4.15Å; L670-F709 HydrophobicContact CG-CZ 4.12Å; L671-F709 HydrophobicContact CD2-CE1 3.84Å; L671-F709 HydrophobicContact CD2-CZ 3.99Å; P705-F709 HydrophobicContact CB-CB 4.17Å; P705-F709 HydrophobicContact CB-CD1 3.73Å; P705-F709 HydrophobicContact CB-CD2 4.41Å; P705-F709 HydrophobicContact CB-CE1 4.17Å; P705-F709 HydrophobicContact CB-CG 3.88Å; P705-F709 HydrophobicContact CG-CD1 4.48Å; P705-F709 HydrophobicContact CG-CE1 4.46Å; S706-F709 WeakPolarHBondContact O-CB 3.3Å; S706-F709 PolarHBondContact O-N 3.47Å; F709-T712 PolarHBondContact O-N 3Å; F709-I713 HydrophobicContact CD1-CD1 3.9Å; F709-I713 HydrophobicContact CE1-CD1 3.46Å; F709-I713 VanDerWaalsContact CE1-CD1 3.46Å; F709-I713 HydrophobicContact CZ-CD1 3.94Å; F709-I713 WeakPolarHBondContact O-CG1 3.25Å; F709-I713 PolarHBondContact O-N 3.35Å
710	F	80.3	Confident	70.1	Confident	1 Å²	1	32 Å²	32	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-38.8	-179.5	-63.6	-62.3	0	0	0	113.1	L671 P705 S706 F707 T708 T712 I713 L714 V727 Y730 M731 F764	L671-F710 HydrophobicContact CD2-CE1 4.41Å; P705-F710 HydrophobicContact CB-CE2 3.96Å; P705-F710 HydrophobicContact CB-CZ 3.96Å; P705-F710 HydrophobicContact CG-CE2 4.48Å; P705-F710 HydrophobicContact CG-CZ 4.08Å; S706-F710 VanDerWaalsContact O-CD2 3.32Å; S706-F710 WeakPolarHBondContact O-CD2 3.26Å; S706-F710 PolarHBondContact O-N 2.97Å; F707-F710 PolarHBondContact O-N 3.12Å; T708-F710 PolarHBondContact O-N 3.17Å; F710-T712 VanDerWaalsContact C-N 3.26Å; F710-T712 PolarHBondContact O-N 3.09Å; F710-I713 PolarHBondContact O-N 2.81Å; F710-L714 WeakPolarHBondContact O-CB 3.44Å; F710-L714 VanDerWaalsContact O-CG 3.29Å; F710-L714 WeakPolarHBondContact O-CG 2.9Å; F710-L714 PolarHBondContact O-N 3.09Å; F710-V727 HydrophobicContact CB-CG1 4.07Å; F710-V727 HydrophobicContact CD1-CG1 3.68Å; F710-V727 HydrophobicContact CG-CG1 4.25Å; F710-Y730 AromaticContact CE1-CD1 3.76Å; F710-Y730 HydrophobicContact CE1-CD1 3.76Å; F710-Y730 HydrophobicContact CE1-CE1 4.23Å; F710-Y730 AromaticContact CZ-CD1 3.61Å; F710-Y730 HydrophobicContact CZ-CD1 3.61Å; F710-Y730 AromaticContact CZ-CE1 3.78Å; F710-Y730 HydrophobicContact CZ-CE1 3.78Å; F710-M731 HydrophobicContact CB-CE 4.47Å; F710-M731 HydrophobicContact CB-CG 4.23Å; F710-M731 HydrophobicContact CB-SD 3.46Å; F710-M731 WeakPolarHBondContact CB-SD 3.49Å; F710-M731 HydrophobicContact CD1-CG 4.07Å; F710-M731 HydrophobicContact CD1-SD 4.39Å; F710-M731 HydrophobicContact CD2-CG 3.67Å; F710-M731 HydrophobicContact CD2-SD 3.77Å; F710-M731 HydrophobicContact CE1-CG 4.35Å; F710-M731 HydrophobicContact CE2-CG 4Å; F710-M731 HydrophobicContact CG-CG 3.72Å; F710-M731 HydrophobicContact CG-SD 3.62Å; F710-M731 HydrophobicContact CZ-CG 4.32Å; F710-F764 AromaticContact CD2-CE2 3.89Å; F710-F764 HydrophobicContact CD2-CE2 3.89Å; F710-F764 HydrophobicContact CD2-CZ 4.1Å; F710-F764 AromaticContact CE2-CE2 3.79Å; F710-F764 HydrophobicContact CE2-CE2 3.79Å; F710-F764 AromaticContact CE2-CZ 3.88Å; F710-F764 HydrophobicContact CE2-CZ 3.88Å
711	S	75.6	Confident	72.7	Confident	12 Å²	12	28.5 Å²	28.5	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-55.9	-41.8	174.3	170	0	0	0	0	111.6	F707 T708 L714 S715 V770	F707-S711 VanDerWaalsContact O-CB 3.28Å; F707-S711 WeakPolarHBondContact O-CB 3.29Å; F707-S711 PolarHBondContact O-N 3.07Å; T708-S711 PolarHBondContact O-N 3.39Å; S711-L714 PolarHBondContact O-N 2.85Å; S711-S715 VanDerWaalsContact O-CB 3.31Å; S711-S715 WeakPolarHBondContact O-CB 3.41Å; S711-S715 PolarHBondContact O-N 3.08Å; S711-S715 PolarHBondContact O-OG 3.27Å; S711-V770 WeakPolarHBondContact OG-CG2 3.47Å
712	T	74.4	Confident	74.9	Confident	24 Å²	24	26.7 Å²	26.7	15%	0.147	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-50.5	177.2	-58.1	0	0	0	0	110.8	R659 T708 F709 F710 L714 S715 T716	R659-T712 HydrophobicContact CB-CG2 3.86Å; R659-T712 HydrophobicContact CG-CG2 4.02Å; T708-T712 WeakPolarHBondContact O-CB 3.16Å; T708-T712 PolarHBondContact O-N 2.87Å; T708-T712 PolarHBondContact O-OG1 3.46Å; F709-T712 PolarHBondContact O-N 3Å; F710-T712 VanDerWaalsContact C-N 3.26Å; F710-T712 PolarHBondContact O-N 3.09Å; T712-L714 PolarHBondContact O-N 2.78Å; T712-S715 PolarHBondContact O-N 3.49Å; T712-T716 WeakPolarHBondContact O-CG2 3.24Å; T712-T716 PolarHBondContact O-N 3.27Å; T712-T716 PolarHBondContact O-OG1 3.2Å; T712-T716 VanDerWaalsContact O-OG1 3.06Å
713	I	81.8	Confident	76.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-44.2	178.3	-59.3	168.2	0	0	0	111.3	A658 V667 F709 F710 S715 T716 S717 L723 V727	A658-I713 HydrophobicContact CB-CD1 3.95Å; A658-I713 HydrophobicContact CB-CG1 3.69Å; V667-I713 HydrophobicContact CG1-CD1 4.17Å; V667-I713 HydrophobicContact CG2-CD1 4.27Å; V667-I713 HydrophobicContact CG2-CG2 4.15Å; F709-I713 HydrophobicContact CD1-CD1 3.9Å; F709-I713 HydrophobicContact CE1-CD1 3.46Å; F709-I713 VanDerWaalsContact CE1-CD1 3.46Å; F709-I713 HydrophobicContact CZ-CD1 3.94Å; F709-I713 WeakPolarHBondContact O-CG1 3.25Å; F709-I713 PolarHBondContact O-N 3.35Å; F710-I713 PolarHBondContact O-N 2.81Å; I713-S715 PolarHBondContact O-N 3.23Å; I713-T716 PolarHBondContact O-N 3.12Å; I713-T716 PolarHBondContact O-OG1 2.69Å; I713-S717 VanDerWaalsContact O-CB 3.24Å; I713-S717 WeakPolarHBondContact O-CB 3.41Å; I713-S717 PolarHBondContact O-N 2.82Å; I713-S717 PolarHBondContact O-OG 3.42Å; I713-L723 HydrophobicContact CG2-CD1 4.44Å; I713-L723 HydrophobicContact CG2-CD2 4.34Å; I713-L723 HydrophobicContact CG2-CG 4.34Å; I713-V727 HydrophobicContact CG2-CG2 3.78Å
714	L	83	Confident	78.1	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-33	179	-72	172.8	0	0	0	111.8	F710 S711 T712 S717 K724 V727 I728 M731 V770 I774 W825	F710-L714 WeakPolarHBondContact O-CB 3.44Å; F710-L714 VanDerWaalsContact O-CG 3.29Å; F710-L714 WeakPolarHBondContact O-CG 2.9Å; F710-L714 PolarHBondContact O-N 3.09Å; S711-L714 PolarHBondContact O-N 2.85Å; T712-L714 PolarHBondContact O-N 2.78Å; L714-S717 PolarHBondContact O-OG 3.47Å; L714-K724 HydrophobicContact CD2-CB 4Å; L714-K724 HydrophobicContact CD2-CG 4.04Å; L714-K724 PolarHBondContact O-NZ 3.43Å; L714-V727 HydrophobicContact CD1-CG1 4.22Å; L714-V727 HydrophobicContact CD2-CB 4.07Å; L714-V727 HydrophobicContact CD2-CG1 3.9Å; L714-V727 HydrophobicContact CG-CG1 3.87Å; L714-I728 HydrophobicContact CD2-CG1 4.27Å; L714-M731 HydrophobicContact CD1-CE 3.82Å; L714-V770 HydrophobicContact CB-CG1 4.1Å; L714-V770 HydrophobicContact CD1-CG1 3.88Å; L714-I774 HydrophobicContact CB-CD1 4.49Å; L714-I774 HydrophobicContact CD1-CD1 4.33Å; L714-W825 HydrophobicContact CD1-CH2 4.3Å
715	S	76.9	Confident	79.1	Confident	45 Å²	45	16.2 Å²	16.2	32%	0.315	10%	0.096	S	C	.	.	H	α-helix	trans	-79.1	-33	179.3	-61.4	0	0	0	0	113.4	S711 T712 I713	S711-S715 VanDerWaalsContact O-CB 3.31Å; S711-S715 WeakPolarHBondContact O-CB 3.41Å; S711-S715 PolarHBondContact O-N 3.08Å; S711-S715 PolarHBondContact O-OG 3.27Å; T712-S715 PolarHBondContact O-N 3.49Å; I713-S715 PolarHBondContact O-N 3.23Å
716	T	74.1	Confident	79.7	Confident	56 Å²	56	17.8 Å²	17.8	34%	0.344	10%	0.103	S	C	.	.	H	α-helix	trans	-87.7	-24.2	-177.7	55	0	0	0	0	114.5	R659 T712 I713 G718	R659-T716 HydrophobicContact CG-CG2 3.86Å; T712-T716 WeakPolarHBondContact O-CG2 3.24Å; T712-T716 PolarHBondContact O-N 3.27Å; T712-T716 PolarHBondContact O-OG1 3.2Å; T712-T716 VanDerWaalsContact O-OG1 3.06Å; I713-T716 PolarHBondContact O-N 3.12Å; I713-T716 PolarHBondContact O-OG1 2.69Å; T716-G718 PolarHBondContact O-N 2.8Å
717	S	76.6	Confident	80.4	Confident	14 Å²	14	17 Å²	17	10%	0.098	10%	0.097	C	C	.	.			trans	-60.9	-10	-175.2	44.4	0	0	0	0	116.5	I713 L714 F719 D720 K724	I713-S717 VanDerWaalsContact O-CB 3.24Å; I713-S717 WeakPolarHBondContact O-CB 3.41Å; I713-S717 PolarHBondContact O-N 2.82Å; I713-S717 PolarHBondContact O-OG 3.42Å; L714-S717 PolarHBondContact O-OG 3.47Å; S717-F719 PolarHBondContact O-N 3.48Å; S717-D720 WeakPolarHBondContact O-CB 3.23Å; S717-D720 PolarHBondContact O-N 3.43Å; S717-K724 WeakPolarHBondContact OG-CE 3.33Å; S717-K724 VanDerWaalsContact OG-CG 3.25Å; S717-K724 WeakPolarHBondContact OG-CG 3.26Å; S717-K724 PolarHBondContact OG-NZ 2.82Å
718	G	78	Confident	80.8	Confident	8 Å²	8	15.9 Å²	15.9	8%	0.082	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-126.1	178	0	0	0	0	0	112.7	T716 K724	T716-G718 PolarHBondContact O-N 2.8Å; G718-K724 WeakPolarHBondContact O-CE 2.77Å; G718-K724 PolarHBondContact O-NZ 3.34Å
719	F	82	Confident	81.6	Confident	3 Å²	3	18.4 Å²	18.4	1%	0.013	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	19.6	176.4	-59.2	-35.5	0	0	0	114.1	S717 W721 L780 F781 L784 F805 V807	S717-F719 PolarHBondContact O-N 3.48Å; F719-W721 VanDerWaalsContact C-N 3.34Å; F719-W721 HydrophobicContact CB-CZ2 4.29Å; F719-W721 HydrophobicContact CD1-CH2 4.23Å; F719-W721 AromaticContact CD1-CZ2 3.71Å; F719-W721 HydrophobicContact CD1-CZ2 3.71Å; F719-W721 HydrophobicContact CG-CZ2 4.34Å; F719-W721 PolarHBondContact O-N 2.77Å; F719-W721 PolarHBondContact O-NE1 3.24Å; F719-L780 HydrophobicContact CE1-CB 4.34Å; F719-L780 HydrophobicContact CZ-CB 4.1Å; F719-F781 HydrophobicContact CB-CD2 4.34Å; F719-F781 HydrophobicContact CD1-CB 4.23Å; F719-F781 HydrophobicContact CD1-CD2 4.21Å; F719-F781 HydrophobicContact CD2-CD2 4.32Å; F719-F781 HydrophobicContact CE1-CB 4.05Å; F719-F781 HydrophobicContact CG-CD2 4.05Å; F719-L784 HydrophobicContact CE2-CD1 3.61Å; F719-L784 HydrophobicContact CZ-CD1 4.08Å; F719-F805 HydrophobicContact CD2-CB 3.44Å; F719-F805 VanDerWaalsContact CD2-CB 3.44Å; F719-F805 HydrophobicContact CD2-CD1 4.35Å; F719-F805 AromaticContact CD2-CG 3.96Å; F719-F805 HydrophobicContact CD2-CG 3.96Å; F719-F805 HydrophobicContact CE2-CB 3.45Å; F719-F805 VanDerWaalsContact CE2-CB 3.45Å; F719-F805 HydrophobicContact CE2-CD1 4.33Å; F719-F805 AromaticContact CE2-CD2 4Å; F719-F805 HydrophobicContact CE2-CD2 4Å; F719-F805 AromaticContact CE2-CG 3.68Å; F719-F805 HydrophobicContact CE2-CG 3.68Å; F719-F805 HydrophobicContact CG-CB 4.31Å; F719-F805 HydrophobicContact CZ-CB 4.33Å; F719-F805 HydrophobicContact CZ-CD1 4.48Å; F719-F805 HydrophobicContact CZ-CD2 4.13Å; F719-F805 HydrophobicContact CZ-CG 4.07Å; F719-V807 HydrophobicContact CD2-CG2 4.03Å
720	D	84.2	Confident	82	Confident	13 Å²	13	20.5 Å²	20.5	7%	0.07	11%	0.11	C	C	.	.			trans	-77.3	85.3	169.4	-168	-18.5	0	0	0	111	S717 E722 L723 K724 Y808	S717-D720 WeakPolarHBondContact O-CB 3.23Å; S717-D720 PolarHBondContact O-N 3.43Å; D720-E722 VanDerWaalsContact C-N 3.29Å; D720-E722 PolarHBondContact O-N 3.28Å; D720-E722 PolarHBondContact OD1-N 2.93Å; D720-E722 VanDerWaalsContact OD1-N 3.16Å; D720-L723 HydrophobicContact CB-CB 3.93Å; D720-L723 PolarHBondContact O-N 2.81Å; D720-L723 WeakPolarHBondContact OD1-CB 3.43Å; D720-L723 PolarHBondContact OD1-N 2.79Å; D720-L723 WeakPolarHBondContact OD2-CB 3.3Å; D720-K724 WeakPolarHBondContact O-CG 3.32Å; D720-K724 PolarHBondContact O-N 3.04Å; D720-K724 VanDerWaalsContact O-N 3.12Å; D720-Y808 HydrophobicContact CB-CD2 4.09Å; D720-Y808 HydrophobicContact CB-CE2 3.76Å
721	W	87.6	Confident	81.8	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-28.9	179.8	-54.7	115.3	0	0	0	113.2	F719 K724 A725 D777 I778 F781 F815 F818	F719-W721 VanDerWaalsContact C-N 3.34Å; F719-W721 HydrophobicContact CB-CZ2 4.29Å; F719-W721 HydrophobicContact CD1-CH2 4.23Å; F719-W721 AromaticContact CD1-CZ2 3.71Å; F719-W721 HydrophobicContact CD1-CZ2 3.71Å; F719-W721 HydrophobicContact CG-CZ2 4.34Å; F719-W721 PolarHBondContact O-N 2.77Å; F719-W721 PolarHBondContact O-NE1 3.24Å; W721-K724 HydrophobicContact CE3-CD 4.05Å; W721-K724 HydrophobicContact CZ3-CD 4.1Å; W721-A725 WeakPolarHBondContact O-CB 3.49Å; W721-A725 PolarHBondContact O-N 2.88Å; W721-D777 HydrophobicContact CH2-CB 3.98Å; W721-D777 HydrophobicContact CZ3-CB 4.48Å; W721-I778 HydrophobicContact CH2-CG1 4.24Å; W721-I778 HydrophobicContact CZ3-CG1 4.13Å; W721-F781 AromaticContact CE2-CD2 3.92Å; W721-F781 AromaticContact CE2-CG 3.95Å; W721-F781 HydrophobicContact CH2-CB 4.22Å; W721-F781 HydrophobicContact CZ2-CB 3.54Å; W721-F781 AromaticContact CZ2-CD1 3.95Å; W721-F781 HydrophobicContact CZ2-CD1 3.95Å; W721-F781 AromaticContact CZ2-CD2 3.7Å; W721-F781 HydrophobicContact CZ2-CD2 3.7Å; W721-F781 HydrophobicContact CZ2-CE2 4.36Å; W721-F781 AromaticContact CZ2-CG 3.46Å; W721-F781 HydrophobicContact CZ2-CG 3.46Å; W721-F781 VanDerWaalsContact CZ2-CG 3.46Å; W721-F781 AromaticContact NE1-CD2 3.51Å; W721-F781 AromaticContact NE1-CE1 3.79Å; W721-F781 AromaticContact NE1-CE2 3.26Å; W721-F781 VanDerWaalsContact NE1-CE2 3.26Å; W721-F781 AromaticContact NE1-CG 3.88Å; W721-F781 AromaticContact NE1-CZ 3.43Å; W721-F815 HydrophobicContact CD2-CB 4.28Å; W721-F815 AromaticContact CD2-CD2 3.76Å; W721-F815 HydrophobicContact CD2-CD2 3.76Å; W721-F815 AromaticContact CE2-CD2 3.64Å; W721-F815 HydrophobicContact CE3-CD2 4.05Å; W721-F815 HydrophobicContact CG-CB 3.93Å; W721-F815 HydrophobicContact CG-CD2 4.31Å; W721-F815 HydrophobicContact CH2-CD2 4.13Å; W721-F815 HydrophobicContact CH2-CE2 4.25Å; W721-F815 AromaticContact CZ2-CD2 3.86Å; W721-F815 HydrophobicContact CZ2-CD2 3.86Å; W721-F815 HydrophobicContact CZ2-CE2 4.31Å; W721-F815 HydrophobicContact CZ3-CD2 4.21Å; W721-F815 HydrophobicContact CZ3-CE2 4.44Å; W721-F818 HydrophobicContact CB-CB 3.95Å; W721-F818 HydrophobicContact CB-CG 4.39Å; W721-F818 HydrophobicContact CD2-CD1 4.28Å; W721-F818 AromaticContact CE3-CD1 3.35Å; W721-F818 HydrophobicContact CE3-CD1 3.35Å; W721-F818 AromaticContact CE3-CE1 3.56Å; W721-F818 HydrophobicContact CE3-CE1 3.56Å; W721-F818 AromaticContact CE3-CG 3.93Å; W721-F818 HydrophobicContact CE3-CG 3.93Å; W721-F818 HydrophobicContact CE3-CZ 4.29Å; W721-F818 AromaticContact CZ3-CD1 3.84Å; W721-F818 HydrophobicContact CZ3-CD1 3.84Å; W721-F818 AromaticContact CZ3-CE1 3.58Å; W721-F818 HydrophobicContact CZ3-CE1 3.58Å; W721-F818 HydrophobicContact CZ3-CZ 4.31Å
722	E	85.9	Confident	81.8	Confident	86 Å²	86	22.8 Å²	22.8	40%	0.402	12%	0.118	S	C	.	.	H	α-helix	trans	-71.5	-40.8	178.3	-65.2	-154.8	172.8	0	0	111.6	D720 A725 F726 S814	D720-E722 VanDerWaalsContact C-N 3.29Å; D720-E722 PolarHBondContact O-N 3.28Å; D720-E722 PolarHBondContact OD1-N 2.93Å; D720-E722 VanDerWaalsContact OD1-N 3.16Å; E722-A725 PolarHBondContact O-N 2.77Å; E722-F726 WeakPolarHBondContact O-CB 3.43Å; E722-F726 PolarHBondContact O-N 3.08Å; E722-S814 WeakPolarHBondContact CG-OG 3.27Å; E722-S814 PolarHBondContact OE1-OG 3.41Å
723	L	85.8	Confident	81.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-49.5	174.5	179.2	59.4	0	0	0	111	V667 I713 D720 A725 F726 V727	V667-L723 HydrophobicContact CB-CD1 4.12Å; V667-L723 HydrophobicContact CG2-CD1 3.68Å; I713-L723 HydrophobicContact CG2-CD1 4.44Å; I713-L723 HydrophobicContact CG2-CD2 4.34Å; I713-L723 HydrophobicContact CG2-CG 4.34Å; D720-L723 HydrophobicContact CB-CB 3.93Å; D720-L723 PolarHBondContact O-N 2.81Å; D720-L723 WeakPolarHBondContact OD1-CB 3.43Å; D720-L723 PolarHBondContact OD1-N 2.79Å; D720-L723 WeakPolarHBondContact OD2-CB 3.3Å; L723-A725 VanDerWaalsContact C-N 3.31Å; L723-A725 PolarHBondContact O-N 3.36Å; L723-F726 PolarHBondContact O-N 3.3Å; L723-V727 HydrophobicContact CD1-CG2 4.33Å; L723-V727 WeakPolarHBondContact O-CG2 3.42Å; L723-V727 PolarHBondContact O-N 3.37Å
724	K	88	Confident	80.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-42.1	177	-67.5	179	-168.4	-87.9	0	111.9	L714 S717 G718 D720 W721 V727 I728 D777 F818	L714-K724 HydrophobicContact CD2-CB 4Å; L714-K724 HydrophobicContact CD2-CG 4.04Å; L714-K724 PolarHBondContact O-NZ 3.43Å; S717-K724 WeakPolarHBondContact OG-CE 3.33Å; S717-K724 VanDerWaalsContact OG-CG 3.25Å; S717-K724 WeakPolarHBondContact OG-CG 3.26Å; S717-K724 PolarHBondContact OG-NZ 2.82Å; G718-K724 WeakPolarHBondContact O-CE 2.77Å; G718-K724 PolarHBondContact O-NZ 3.34Å; D720-K724 WeakPolarHBondContact O-CG 3.32Å; D720-K724 PolarHBondContact O-N 3.04Å; D720-K724 VanDerWaalsContact O-N 3.12Å; W721-K724 HydrophobicContact CE3-CD 4.05Å; W721-K724 HydrophobicContact CZ3-CD 4.1Å; K724-V727 PolarHBondContact O-N 3.02Å; K724-I728 WeakPolarHBondContact O-CG1 3.09Å; K724-I728 PolarHBondContact O-N 3.06Å; K724-D777 IonicContact NZ-OD2 2.96Å; K724-D777 PolarHBondContact NZ-OD2 3.28Å; K724-F818 HydrophobicContact CB-CD2 3.72Å; K724-F818 HydrophobicContact CB-CE2 3.46Å; K724-F818 VanDerWaalsContact CB-CE2 3.46Å; K724-F818 HydrophobicContact CB-CZ 4.25Å; K724-F818 HydrophobicContact CD-CE2 4.23Å; K724-F818 HydrophobicContact CD-CZ 4.21Å; K724-F818 HydrophobicContact CG-CE2 4.48Å
725	A	87	Confident	78.9	Confident	6 Å²	6	38.4 Å²	38.4	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-44.2	176.3	0	0	0	0	0	111.9	W721 E722 L723 I728 E729 F818 I821	W721-A725 WeakPolarHBondContact O-CB 3.49Å; W721-A725 PolarHBondContact O-N 2.88Å; E722-A725 PolarHBondContact O-N 2.77Å; L723-A725 VanDerWaalsContact C-N 3.31Å; L723-A725 PolarHBondContact O-N 3.36Å; A725-I728 PolarHBondContact O-N 3.06Å; A725-E729 WeakPolarHBondContact O-CB 3.19Å; A725-E729 WeakPolarHBondContact O-CG 3.35Å; A725-E729 PolarHBondContact O-N 3.22Å; A725-F818 HydrophobicContact CB-CB 4.17Å; A725-F818 HydrophobicContact CB-CD2 4.15Å; A725-I821 HydrophobicContact CB-CD1 3.87Å
726	F	86	Confident	77.2	Confident	36 Å²	36	42.7 Å²	42.7	16%	0.158	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-44.5	177.3	173.4	-101.2	0	0	0	111.9	K664 V667 K668 L671 E722 L723 E729 Y730	K664-F726 HydrophobicContact CG-CB 4.43Å; K664-F726 HydrophobicContact CG-CD1 4.31Å; K664-F726 HydrophobicContact CG-CG 4.16Å; V667-F726 HydrophobicContact CG1-CD1 4.47Å; V667-F726 HydrophobicContact CG1-CE1 4.08Å; K668-F726 HydrophobicContact CG-CE1 4.13Å; K668-F726 HydrophobicContact CG-CE2 4.38Å; K668-F726 HydrophobicContact CG-CZ 3.7Å; L671-F726 HydrophobicContact CD1-CE1 4.21Å; L671-F726 HydrophobicContact CD1-CZ 4.48Å; E722-F726 WeakPolarHBondContact O-CB 3.43Å; E722-F726 PolarHBondContact O-N 3.08Å; L723-F726 PolarHBondContact O-N 3.3Å; F726-E729 PolarHBondContact O-N 3.22Å; F726-Y730 WeakPolarHBondContact O-CB 3.27Å; F726-Y730 PolarHBondContact O-N 3.32Å
727	V	84.9	Confident	75.4	Confident	1 Å²	1	45 Å²	45	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-45.6	178.8	171	0	0	0	0	111.5	F710 I713 L714 L723 K724 Y730 M731	F710-V727 HydrophobicContact CB-CG1 4.07Å; F710-V727 HydrophobicContact CD1-CG1 3.68Å; F710-V727 HydrophobicContact CG-CG1 4.25Å; I713-V727 HydrophobicContact CG2-CG2 3.78Å; L714-V727 HydrophobicContact CD1-CG1 4.22Å; L714-V727 HydrophobicContact CD2-CB 4.07Å; L714-V727 HydrophobicContact CD2-CG1 3.9Å; L714-V727 HydrophobicContact CG-CG1 3.87Å; L723-V727 HydrophobicContact CD1-CG2 4.33Å; L723-V727 WeakPolarHBondContact O-CG2 3.42Å; L723-V727 PolarHBondContact O-N 3.37Å; K724-V727 PolarHBondContact O-N 3.02Å; V727-Y730 PolarHBondContact O-N 2.98Å; V727-M731 HydrophobicContact CG1-CE 4.13Å; V727-M731 WeakPolarHBondContact O-CG 3.47Å; V727-M731 PolarHBondContact O-N 3.12Å
728	I	84.2	Confident	73.1	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-43.8	177.6	-65.8	172.4	0	0	0	111.4	L714 K724 A725 Y730 M731 R732 F818 I821 Y822 W825	L714-I728 HydrophobicContact CD2-CG1 4.27Å; K724-I728 WeakPolarHBondContact O-CG1 3.09Å; K724-I728 PolarHBondContact O-N 3.06Å; A725-I728 PolarHBondContact O-N 3.06Å; I728-Y730 VanDerWaalsContact C-N 3.33Å; I728-Y730 PolarHBondContact O-N 3.4Å; I728-M731 HydrophobicContact CB-CE 4.4Å; I728-M731 HydrophobicContact CG1-CE 4Å; I728-M731 PolarHBondContact O-N 2.99Å; I728-R732 WeakPolarHBondContact O-CG 3.33Å; I728-R732 PolarHBondContact O-N 2.93Å; I728-F818 HydrophobicContact CD1-CD2 4.48Å; I728-F818 HydrophobicContact CD1-CE2 3.66Å; I728-F818 HydrophobicContact CD1-CZ 4.43Å; I728-I821 HydrophobicContact CB-CG2 4.16Å; I728-I821 HydrophobicContact CG2-CG2 3.71Å; I728-Y822 HydrophobicContact CD1-CD2 4.05Å; I728-W825 HydrophobicContact CD1-CE3 3.74Å; I728-W825 HydrophobicContact CD1-CZ3 3.9Å; I728-W825 HydrophobicContact CG1-CD2 4.43Å; I728-W825 HydrophobicContact CG1-CE3 3.96Å; I728-W825 HydrophobicContact CG1-CH2 4.42Å; I728-W825 HydrophobicContact CG1-CZ3 3.96Å; I728-W825 HydrophobicContact CG2-CB 3.83Å; I728-W825 HydrophobicContact CG2-CD2 3.71Å; I728-W825 HydrophobicContact CG2-CE3 3.98Å; I728-W825 HydrophobicContact CG2-CG 3.68Å
729	E	83.5	Confident	71	Confident	77 Å²	77	59.1 Å²	59.1	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-41.1	175.3	-76.9	-68.6	152.2	0	0	111.8	A725 F726 M731 R732 R733 I821	A725-E729 WeakPolarHBondContact O-CB 3.19Å; A725-E729 WeakPolarHBondContact O-CG 3.35Å; A725-E729 PolarHBondContact O-N 3.22Å; F726-E729 PolarHBondContact O-N 3.22Å; E729-M731 VanDerWaalsContact C-N 3.33Å; E729-M731 PolarHBondContact O-N 2.83Å; E729-R732 PolarHBondContact O-N 3.31Å; E729-R732 VanDerWaalsContact O-N 3.1Å; E729-R732 IonicContact OE1-NH1 3.29Å; E729-R733 PolarHBondContact O-N 3.44Å; E729-I821 HydrophobicContact CG-CD1 3.92Å; E729-I821 HydrophobicContact CG-CG1 4.47Å; E729-I821 HydrophobicContact CG-CG2 4.02Å; E729-I821 WeakPolarHBondContact OE1-CG1 3.3Å; E729-I821 WeakPolarHBondContact OE1-CG2 3.19Å
730	Y	81.3	Confident	68.6	Low	46 Å²	46	66.8 Å²	66.8	18%	0.18	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-43.1	175.3	-169.7	-90.8	0	0	0	111.6	L671 E675 F710 F726 V727 I728 R732 R733	L671-Y730 HydrophobicContact CD1-CD1 4.33Å; L671-Y730 HydrophobicContact CD1-CD2 4.07Å; L671-Y730 HydrophobicContact CD1-CE1 4.19Å; L671-Y730 HydrophobicContact CD1-CE2 3.92Å; L671-Y730 HydrophobicContact CD1-CG 4.27Å; L671-Y730 HydrophobicContact CD2-CE1 4.06Å; E675-Y730 PolarHBondContact OE1-OH 3.48Å; F710-Y730 AromaticContact CE1-CD1 3.76Å; F710-Y730 HydrophobicContact CE1-CD1 3.76Å; F710-Y730 HydrophobicContact CE1-CE1 4.23Å; F710-Y730 AromaticContact CZ-CD1 3.61Å; F710-Y730 HydrophobicContact CZ-CD1 3.61Å; F710-Y730 AromaticContact CZ-CE1 3.78Å; F710-Y730 HydrophobicContact CZ-CE1 3.78Å; F726-Y730 WeakPolarHBondContact O-CB 3.27Å; F726-Y730 PolarHBondContact O-N 3.32Å; V727-Y730 PolarHBondContact O-N 2.98Å; I728-Y730 VanDerWaalsContact C-N 3.33Å; I728-Y730 PolarHBondContact O-N 3.4Å; Y730-R732 PolarHBondContact O-N 3.37Å; Y730-R733 PolarHBondContact O-N 3.07Å
731	M	77.7	Confident	66.1	Low	8 Å²	8	70.7 Å²	70.7	4%	0.039	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-22.9	175.1	-70.3	-171.2	-63	0	0	113.7	R704 F707 F710 L714 V727 I728 E729 F764 W825	R704-M731 PolarHBondContact NH2-O 2.82Å; F707-M731 HydrophobicContact CD2-SD 4.37Å; F707-M731 HydrophobicContact CE2-SD 4.41Å; F710-M731 HydrophobicContact CB-CE 4.47Å; F710-M731 HydrophobicContact CB-CG 4.23Å; F710-M731 HydrophobicContact CB-SD 3.46Å; F710-M731 WeakPolarHBondContact CB-SD 3.49Å; F710-M731 HydrophobicContact CD1-CG 4.07Å; F710-M731 HydrophobicContact CD1-SD 4.39Å; F710-M731 HydrophobicContact CD2-CG 3.67Å; F710-M731 HydrophobicContact CD2-SD 3.77Å; F710-M731 HydrophobicContact CE1-CG 4.35Å; F710-M731 HydrophobicContact CE2-CG 4Å; F710-M731 HydrophobicContact CG-CG 3.72Å; F710-M731 HydrophobicContact CG-SD 3.62Å; F710-M731 HydrophobicContact CZ-CG 4.32Å; L714-M731 HydrophobicContact CD1-CE 3.82Å; V727-M731 HydrophobicContact CG1-CE 4.13Å; V727-M731 WeakPolarHBondContact O-CG 3.47Å; V727-M731 PolarHBondContact O-N 3.12Å; I728-M731 HydrophobicContact CB-CE 4.4Å; I728-M731 HydrophobicContact CG1-CE 4Å; I728-M731 PolarHBondContact O-N 2.99Å; E729-M731 VanDerWaalsContact C-N 3.33Å; E729-M731 PolarHBondContact O-N 2.83Å; M731-F764 HydrophobicContact CB-CD2 4.33Å; M731-F764 HydrophobicContact CB-CE2 4.44Å; M731-F764 HydrophobicContact CG-CD2 4.18Å; M731-F764 HydrophobicContact CG-CE2 4.09Å; M731-F764 HydrophobicContact SD-CD2 4.14Å; M731-F764 HydrophobicContact SD-CE2 4.46Å; M731-W825 HydrophobicContact CE-CH2 3.57Å; M731-W825 HydrophobicContact CE-CZ2 3.43Å; M731-W825 VanDerWaalsContact CE-CZ2 3.43Å; M731-W825 HydrophobicContact CE-CZ3 4.46Å; M731-W825 HydrophobicContact SD-CZ2 4.31Å
732	R	75.1	Confident	63.6	Low	53 Å²	53	76.9 Å²	76.9	20%	0.2	39%	0.389	C	S	.	.	H	α-helix	trans	-89.1	-12.8	179.1	-71.1	173.4	87.2	-158.3	2.9	113.8	I728 E729 Y730 S824 E828	I728-R732 WeakPolarHBondContact O-CG 3.33Å; I728-R732 PolarHBondContact O-N 2.93Å; E729-R732 PolarHBondContact O-N 3.31Å; E729-R732 VanDerWaalsContact O-N 3.1Å; E729-R732 IonicContact OE1-NH1 3.29Å; Y730-R732 PolarHBondContact O-N 3.37Å; R732-S824 PolarHBondContact NH2-OG 3.39Å; R732-E828 IonicContact CZ-OE1 2.75Å; R732-E828 IonicContact CZ-OE2 3.82Å; R732-E828 VanDerWaalsContact CZ-OE2 3.29Å; R732-E828 IonicContact NE-OE2 2.86Å; R732-E828 PolarHBondContact NE-OE2 3.14Å; R732-E828 IonicContact NH2-OE1 3.65Å; R732-E828 PolarHBondContact NH2-OE1 3.41Å; R732-E828 IonicContact NH2-OE2 2.68Å; R732-E828 PolarHBondContact NH2-OE2 3.06Å
733	R	68.6	Low	61.4	Low	159 Å²	159	82.9 Å²	82.9	60%	0.6	41%	0.414	S	S	*	.	S	Bend	trans	-63.3	125.7	178.7	-73.6	178.3	-179.1	-163.9	-4.7	110	E729 Y730	E729-R733 PolarHBondContact O-N 3.44Å; Y730-R733 PolarHBondContact O-N 3.07Å
734	P	56.7	Low	59.1	Low	91 Å²	91	90.1 Å²	90.1	59%	0.591	45%	0.453	S	S	*	.			trans	-62.8	146.5	167.8	27.2	-32.1	0	0	0	108.9	H736	P734-H736 VanDerWaalsContact C-N 3.34Å; P734-H736 PolarHBondContact O-N 2.56Å
735	I	52.5	Low	56.5	Low	102 Å²	102	93.5 Å²	93.5	52%	0.523	48%	0.477	S	S	.	.			trans	-65.6	97.4	173	-57	169.7	0	0	0	106.5	V737	I735-V737 HydrophobicContact CG2-CG2 4.48Å; I735-V737 PolarHBondContact O-N 2.82Å
736	H	41.3	Very low	54	Low	135 Å²	135	100.1 Å²	100.1	63%	0.625	52%	0.517	S	S	*	.			trans	-81.4	115.1	171.8	-84.1	-64.7	0	0	0	108.4	P734 D738	P734-H736 VanDerWaalsContact C-N 3.34Å; P734-H736 PolarHBondContact O-N 2.56Å; H736-D738 VanDerWaalsContact C-N 3.29Å; H736-D738 PolarHBondContact O-N 3Å
737	V	37.3	Very low	51.5	Low	105 Å²	105	105.1 Å²	105.1	64%	0.636	54%	0.544	S	S	*	.	S	Bend	trans	-76	-7.6	-177.6	175.2	0	0	0	0	113.2	I735	I735-V737 HydrophobicContact CG2-CG2 4.48Å; I735-V737 PolarHBondContact O-N 2.82Å
738	D	28.2	Very low	48.9	Very low	139 Å²	139	110.4 Å²	110.4	74%	0.743	58%	0.578	S	S	*	*			trans	-137.6	53.6	-163.9	-74.8	-37.3	0	0	0	117	H736	H736-D738 VanDerWaalsContact C-N 3.29Å; H736-D738 PolarHBondContact O-N 3Å
739	E	33.4	Very low	46.4	Very low	180 Å²	180	120.1 Å²	120.1	84%	0.841	62%	0.62	S	S	*	*			trans	-125.5	15	171.4	-74.9	-163.6	162	0	0	116.6
740	L	31.9	Very low	43.8	Very low	163 Å²	163	128 Å²	128	85%	0.853	65%	0.647	S	S	*	*			trans	-104.7	10.5	173.8	-75	168.4	0	0	0	115	D742	L740-D742 PolarHBondContact O-N 3.27Å
741	S	31.9	Very low	41.1	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	68%	0.676	S	S	*	*	S	Bend	trans	-76.8	117.1	168.4	69.8	0	0	0	0	110.1	K743	S741-K743 PolarHBondContact O-N 3.29Å
742	D	34.2	Very low	38.9	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	71%	0.713	S	S	*	*			trans	-34	129.2	174.1	-89.5	-40.7	0	0	0	113.9	L740 N744 S745	L740-D742 PolarHBondContact O-N 3.27Å; D742-N744 PolarHBondContact O-N 2.97Å; D742-S745 PolarHBondContact O-N 3.05Å
743	K	39.8	Very low	36.5	Very low	212 Å²	212	147.4 Å²	147.4	92%	0.922	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	7.2	174.3	-73.6	-175.9	176.1	178	0	114.6	S741	S741-K743 PolarHBondContact O-N 3.29Å
744	N	37.9	Very low	34.5	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	6.3	-176.8	-71.7	-16.9	0	0	0	114.8	D742	D742-N744 PolarHBondContact O-N 2.97Å
745	S	33.9	Very low	33	Very low	72 Å²	72	145.7 Å²	145.7	50%	0.503	76%	0.757	S	S	.	*			trans	-92	120	177.3	67.4	0	0	0	0	112.7	D742 I747	D742-S745 PolarHBondContact O-N 3.05Å; S745-I747 VanDerWaalsContact C-N 3.28Å; S745-I747 PolarHBondContact O-N 3.25Å; S745-I747 VanDerWaalsContact O-N 3.12Å
746	T	32.9	Very low	31.8	Very low	145 Å²	145	149.7 Å²	149.7	89%	0.89	77%	0.773	S	S	*	*			trans	-83.8	55	-179.2	42.6	0	0	0	0	112.4
747	I	34.9	Very low	31	Very low	140 Å²	140	149.5 Å²	149.5	72%	0.718	78%	0.782	S	S	*	*			trans	-114.9	121.5	173.7	-55.2	177.8	0	0	0	108.7	S745 K749	S745-I747 VanDerWaalsContact C-N 3.28Å; S745-I747 PolarHBondContact O-N 3.25Å; S745-I747 VanDerWaalsContact O-N 3.12Å; I747-K749 PolarHBondContact O-N 3.08Å
748	P	30.6	Very low	30.5	Very low	113 Å²	113	148.6 Å²	148.6	73%	0.734	78%	0.78	S	S	*	*			trans	-70.9	130.2	-171.4	27.8	-31.7	0	0	0	110.7	R750	P748-R750 PolarHBondContact O-N 2.95Å
749	K	30.4	Very low	30.4	Very low	204 Å²	204	149.3 Å²	149.3	89%	0.887	78%	0.784	S	S	*	*			trans	-51.6	105.2	173	-66.8	-178.5	176.9	-175.1	0	110	I747 N751	I747-K749 PolarHBondContact O-N 3.08Å; K749-N751 PolarHBondContact O-N 3.45Å
750	R	28.4	Very low	30.2	Very low	243 Å²	243	147.7 Å²	147.7	92%	0.917	78%	0.776	S	S	*	*			trans	-80.3	118.5	173.4	-137.9	174.5	-174.4	167.7	1	108.1	P748 V752	P748-R750 PolarHBondContact O-N 2.95Å; R750-V752 PolarHBondContact O-N 2.91Å; R750-V752 VanDerWaalsContact O-N 3.12Å
751	N	26	Very low	30.3	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	76%	0.755	S	S	*	*			trans	-49.4	109.7	178.1	-69.1	-31.6	0	0	0	112.2	K749	K749-N751 PolarHBondContact O-N 3.45Å
752	V	30	Very low	30.7	Very low	136 Å²	136	146.6 Å²	146.6	82%	0.824	76%	0.759	S	S	*	*			trans	-112.9	58.9	158.3	-169.7	0	0	0	0	107.5	R750	R750-V752 PolarHBondContact O-N 2.91Å; R750-V752 VanDerWaalsContact O-N 3.12Å
753	Y	25.9	Very low	31.5	Very low	231 Å²	231	141.6 Å²	141.6	91%	0.906	74%	0.739	S	S	*	*			trans	-92.6	92.4	158.9	-88	-83.3	0	0	0	106.5
754	G	25.9	Very low	32.5	Very low	53 Å²	53	133.5 Å²	133.5	55%	0.546	70%	0.704	S	S	.	*			trans	-177	104.5	179.5	0	0	0	0	0	111.2
755	N	26.6	Very low	33.5	Very low	161 Å²	161	132.5 Å²	132.5	86%	0.861	70%	0.703	S	S	*	*	S	Bend	trans	92.2	96.8	167.2	-55.8	-21.7	0	0	0	117.5
756	Q	25.5	Very low	34.9	Very low	186 Å²	186	129.4 Å²	129.4	87%	0.869	68%	0.681	S	S	*	*			trans	59.6	78.8	146.2	-60.7	-178	-2	0	0	116.9	S758	Q756-S758 VanDerWaalsContact C-N 3.28Å; Q756-S758 PolarHBondContact O-N 3.39Å
757	V	26.1	Very low	36.5	Very low	132 Å²	132	123.7 Å²	123.7	80%	0.8	64%	0.644	S	S	*	*			trans	-69.2	90.5	153.8	-177.3	0	0	0	0	107.3	N759	V757-N759 PolarHBondContact O-N 3.47Å
758	S	26.1	Very low	38.2	Very low	86 Å²	86	119 Å²	119	60%	0.601	62%	0.618	S	S	*	*			trans	-66.2	112.2	160	54.7	0	0	0	0	107.1	Q756 H760	Q756-S758 VanDerWaalsContact C-N 3.28Å; Q756-S758 PolarHBondContact O-N 3.39Å; S758-H760 PolarHBondContact O-N 2.94Å
759	N	26.3	Very low	40.3	Very low	154 Å²	154	117.6 Å²	117.6	82%	0.824	60%	0.598	S	S	*	*			trans	-65.2	60.1	167.4	-73.5	-25.1	0	0	0	110.4	V757 F761	V757-N759 PolarHBondContact O-N 3.47Å; N759-F761 PolarHBondContact O-N 3.28Å; N759-F761 VanDerWaalsContact O-N 3.13Å
760	H	30	Very low	42.5	Very low	146 Å²	146	107.9 Å²	107.9	68%	0.676	56%	0.556	S	S	*	*			trans	-73.6	106.1	170	-96.8	-50.4	0	0	0	107.7	S758 D762	S758-H760 PolarHBondContact O-N 2.94Å; H760-D762 VanDerWaalsContact C-N 3.3Å; H760-D762 PolarHBondContact O-N 3.4Å
761	F	34.1	Very low	45	Very low	93 Å²	93	96.5 Å²	96.5	41%	0.408	51%	0.513	S	S	.	.			trans	-63.6	93.2	169.6	-158.5	-97.6	0	0	0	107.5	N759 G763 E828	N759-F761 PolarHBondContact O-N 3.28Å; N759-F761 VanDerWaalsContact O-N 3.13Å; F761-G763 VanDerWaalsContact CD1-CA 3.49Å; F761-G763 PolarHBondContact O-N 2.77Å; F761-E828 HydrophobicContact CE2-CB 3.93Å; F761-E828 HydrophobicContact CE2-CG 4.43Å; F761-E828 WeakPolarHBondContact CE2-OE2 3.46Å; F761-E828 HydrophobicContact CZ-CB 3.89Å
762	D	40.1	Very low	47.6	Very low	141 Å²	141	89.7 Å²	89.7	75%	0.754	48%	0.477	S	S	*	.			trans	-73.8	34.6	167.7	-115.3	7.2	0	0	0	110.8	H760	H760-D762 VanDerWaalsContact C-N 3.3Å; H760-D762 PolarHBondContact O-N 3.4Å
763	G	50	Low	50.1	Low	27 Å²	27	83.5 Å²	83.5	28%	0.278	44%	0.44	S	S	.	.			trans	-77.1	136.1	-172.4	0	0	0	0	0	110.8	F761 V765	F761-G763 VanDerWaalsContact CD1-CA 3.49Å; F761-G763 PolarHBondContact O-N 2.77Å; G763-V765 PolarHBondContact O-N 3.26Å
764	F	59.9	Low	52.9	Low	42 Å²	42	72.5 Å²	72.5	18%	0.184	40%	0.397	C	S	.	.			trans	-46.2	131.5	174.3	-62.5	-71.9	0	0	0	111.4	R704 P705 F707 F710 M731 L766	R704-F764 HydrophobicContact CG-CZ 4.19Å; R704-F764 VanDerWaalsContact NH2-CE2 3.3Å; P705-F764 VanDerWaalsContact O-CZ 3.26Å; P705-F764 WeakPolarHBondContact O-CZ 3.49Å; F707-F764 HydrophobicContact CB-CB 4.05Å; F707-F764 HydrophobicContact CB-CD1 3.52Å; F707-F764 HydrophobicContact CB-CE1 4.09Å; F707-F764 HydrophobicContact CB-CG 3.9Å; F707-F764 HydrophobicContact CD2-CB 3.29Å; F707-F764 HydrophobicContact CD2-CD1 4.24Å; F707-F764 HydrophobicContact CD2-CD2 4.22Å; F707-F764 AromaticContact CD2-CG 3.7Å; F707-F764 HydrophobicContact CD2-CG 3.7Å; F707-F764 HydrophobicContact CE2-CB 4.05Å; F707-F764 HydrophobicContact CG-CB 3.95Å; F707-F764 HydrophobicContact CG-CD1 4.33Å; F707-F764 HydrophobicContact CG-CG 4.24Å; F710-F764 AromaticContact CD2-CE2 3.89Å; F710-F764 HydrophobicContact CD2-CE2 3.89Å; F710-F764 HydrophobicContact CD2-CZ 4.1Å; F710-F764 AromaticContact CE2-CE2 3.79Å; F710-F764 HydrophobicContact CE2-CE2 3.79Å; F710-F764 AromaticContact CE2-CZ 3.88Å; F710-F764 HydrophobicContact CE2-CZ 3.88Å; M731-F764 HydrophobicContact CB-CD2 4.33Å; M731-F764 HydrophobicContact CB-CE2 4.44Å; M731-F764 HydrophobicContact CG-CD2 4.18Å; M731-F764 HydrophobicContact CG-CE2 4.09Å; M731-F764 HydrophobicContact SD-CD2 4.14Å; M731-F764 HydrophobicContact SD-CE2 4.46Å; F764-L766 PolarHBondContact O-N 3.08Å
765	V	59.7	Low	55.8	Low	131 Å²	131	73 Å²	73	79%	0.794	39%	0.386	S	S	*	.			trans	-59.6	114.8	169.2	-179.8	0	0	0	0	107.3	G763 D767	G763-V765 PolarHBondContact O-N 3.26Å; V765-D767 PolarHBondContact O-N 3.1Å
766	L	62.9	Low	58.5	Low	8 Å²	8	66.3 Å²	66.3	4%	0.042	35%	0.351	C	S	.	.			trans	-61	116	-179.7	-95	173.6	0	0	0	110.2	F764 R768 I771 W825 L826 V831	F764-L766 PolarHBondContact O-N 3.08Å; L766-R768 PolarHBondContact O-N 3.25Å; L766-I771 HydrophobicContact CB-CD1 4.05Å; L766-I771 HydrophobicContact CD1-CD1 4.05Å; L766-I771 HydrophobicContact CD2-CD1 4.13Å; L766-I771 HydrophobicContact CD2-CG1 4.03Å; L766-I771 HydrophobicContact CG-CD1 4.35Å; L766-W825 HydrophobicContact CD2-CD2 4.09Å; L766-W825 HydrophobicContact CD2-CE3 3.95Å; L766-W825 HydrophobicContact CD2-CH2 3.13Å; L766-W825 HydrophobicContact CD2-CZ2 3.23Å; L766-W825 HydrophobicContact CD2-CZ3 3.5Å; L766-W825 HydrophobicContact CG-CH2 4.38Å; L766-W825 HydrophobicContact CG-CZ2 4.06Å; L766-L826 HydrophobicContact CD1-CD2 4.4Å; L766-V831 HydrophobicContact CB-CG2 3.38Å; L766-V831 HydrophobicContact CD1-CG2 4.02Å; L766-V831 HydrophobicContact CG-CG2 4.34Å
767	D	68.1	Low	61.4	Low	24 Å²	24	57.4 Å²	57.4	13%	0.128	31%	0.309	C	S	.	.			trans	-71.8	123.7	171.1	-174.6	-7.3	0	0	0	110.2	F707 V765 R769 V770 I771	F707-D767 HydrophobicContact CD1-CB 4.32Å; F707-D767 HydrophobicContact CE1-CB 3.37Å; F707-D767 HydrophobicContact CZ-CB 3.98Å; V765-D767 PolarHBondContact O-N 3.1Å; D767-R769 PolarHBondContact O-N 3.36Å; D767-R769 WeakPolarHBondContact OD1-CB 3.3Å; D767-R769 PolarHBondContact OD1-N 3.37Å; D767-V770 HydrophobicContact CB-CG2 4.01Å; D767-V770 WeakPolarHBondContact O-CB 3.05Å; D767-V770 PolarHBondContact O-N 3.29Å; D767-I771 PolarHBondContact O-N 3.21Å
768	R	69.8	Low	64.3	Low	42 Å²	42	51.6 Å²	51.6	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-56.1	-32.1	178.3	-177	173.1	171.9	-175.6	-7.9	112.5	D263 L766 V770 I771 A772 P834	D263-R768 IonicContact OD2-CZ 3.81Å; D263-R768 IonicContact OD2-NH1 3.44Å; D263-R768 PolarHBondContact OD2-NH1 2.97Å; D263-R768 IonicContact OD2-NH2 2.96Å; D263-R768 PolarHBondContact OD2-NH2 3.23Å; L766-R768 PolarHBondContact O-N 3.25Å; R768-V770 VanDerWaalsContact C-N 3.33Å; R768-V770 PolarHBondContact O-N 2.83Å; R768-I771 PolarHBondContact O-N 3.11Å; R768-A772 WeakPolarHBondContact O-CB 3.25Å; R768-A772 PolarHBondContact O-N 2.61Å; R768-P834 HydrophobicContact CG-CB 4.43Å
769	R	74.1	Confident	67.1	Low	83 Å²	83	49.2 Å²	49.2	31%	0.313	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-37.4	177.1	-173.7	173.8	-174.8	-172.2	4	112.2	L260 D767 S773	L260-R769 HydrophobicContact CD1-CG 4.17Å; D767-R769 PolarHBondContact O-N 3.36Å; D767-R769 WeakPolarHBondContact OD1-CB 3.3Å; D767-R769 PolarHBondContact OD1-N 3.37Å; R769-S773 VanDerWaalsContact O-CB 3.27Å; R769-S773 WeakPolarHBondContact O-CB 3.37Å; R769-S773 PolarHBondContact O-N 3.06Å
770	V	77.5	Confident	69.9	Low	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-44.2	177.5	179.7	0	0	0	0	110.1	F707 S711 L714 D767 R768 S773 I774	F707-V770 HydrophobicContact CE1-CG2 4.07Å; F707-V770 HydrophobicContact CZ-CB 4.46Å; F707-V770 HydrophobicContact CZ-CG2 4.14Å; S711-V770 WeakPolarHBondContact OG-CG2 3.47Å; L714-V770 HydrophobicContact CB-CG1 4.1Å; L714-V770 HydrophobicContact CD1-CG1 3.88Å; D767-V770 HydrophobicContact CB-CG2 4.01Å; D767-V770 WeakPolarHBondContact O-CB 3.05Å; D767-V770 PolarHBondContact O-N 3.29Å; R768-V770 VanDerWaalsContact C-N 3.33Å; R768-V770 PolarHBondContact O-N 2.83Å; V770-S773 PolarHBondContact O-N 2.87Å; V770-I774 HydrophobicContact CG1-CD1 3.85Å; V770-I774 HydrophobicContact CG1-CG1 4.47Å; V770-I774 WeakPolarHBondContact O-CB 3.43Å; V770-I774 VanDerWaalsContact O-CG1 3.29Å; V770-I774 WeakPolarHBondContact O-CG1 3.47Å; V770-I774 PolarHBondContact O-N 3.44Å
771	I	80.7	Confident	72.6	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-52.3	174.5	-63.9	175.6	0	0	0	110	L766 D767 R768 S773 I774 D775 Y822 L826 V831 P834	L766-I771 HydrophobicContact CB-CD1 4.05Å; L766-I771 HydrophobicContact CD1-CD1 4.05Å; L766-I771 HydrophobicContact CD2-CD1 4.13Å; L766-I771 HydrophobicContact CD2-CG1 4.03Å; L766-I771 HydrophobicContact CG-CD1 4.35Å; D767-I771 PolarHBondContact O-N 3.21Å; R768-I771 PolarHBondContact O-N 3.11Å; I771-S773 VanDerWaalsContact C-N 3.32Å; I771-S773 PolarHBondContact O-N 3.39Å; I771-I774 PolarHBondContact O-N 3.06Å; I771-I774 VanDerWaalsContact O-N 3.15Å; I771-D775 WeakPolarHBondContact O-CB 3.15Å; I771-D775 PolarHBondContact O-N 2.92Å; I771-Y822 WeakPolarHBondContact CG2-OH 2.89Å; I771-L826 HydrophobicContact CD1-CD2 4.07Å; I771-L826 HydrophobicContact CG1-CD2 4.35Å; I771-L826 HydrophobicContact CG2-CD2 4.33Å; I771-V831 HydrophobicContact CD1-CB 4.25Å; I771-V831 HydrophobicContact CD1-CG1 3.92Å; I771-P834 HydrophobicContact CG2-CG 4.13Å
772	A	79.9	Confident	75	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-43.5	178.8	0	0	0	0	0	111.8	A259 R768 I774 D775 I776	A259-A772 HydrophobicContact CB-CB 4.39Å; R768-A772 WeakPolarHBondContact O-CB 3.25Å; R768-A772 PolarHBondContact O-N 2.61Å; A772-I774 PolarHBondContact O-N 3.34Å; A772-D775 PolarHBondContact O-N 3.24Å; A772-I776 WeakPolarHBondContact O-CB 3.28Å; A772-I776 VanDerWaalsContact O-CD1 3.26Å; A772-I776 WeakPolarHBondContact O-CD1 3.32Å; A772-I776 WeakPolarHBondContact O-CG1 3.49Å; A772-I776 PolarHBondContact O-N 2.67Å
773	S	82.2	Confident	77.1	Confident	5 Å²	5	32.1 Å²	32.1	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-44.2	175.9	-175	0	0	0	0	112.3	K252 R769 V770 I771 D777	K252-S773 WeakPolarHBondContact CE-OG 3.33Å; K252-S773 PolarHBondContact NZ-OG 3.31Å; R769-S773 VanDerWaalsContact O-CB 3.27Å; R769-S773 WeakPolarHBondContact O-CB 3.37Å; R769-S773 PolarHBondContact O-N 3.06Å; V770-S773 PolarHBondContact O-N 2.87Å; I771-S773 VanDerWaalsContact C-N 3.32Å; I771-S773 PolarHBondContact O-N 3.39Å; S773-D777 VanDerWaalsContact O-CG 3.28Å; S773-D777 PolarHBondContact O-N 3.05Å
774	I	85.3	Confident	78.7	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-45	177.2	-69.2	169.2	0	0	0	111.1	L714 V770 I771 A772 I776 D777 I778 F818 Y822 W825	L714-I774 HydrophobicContact CB-CD1 4.49Å; L714-I774 HydrophobicContact CD1-CD1 4.33Å; V770-I774 HydrophobicContact CG1-CD1 3.85Å; V770-I774 HydrophobicContact CG1-CG1 4.47Å; V770-I774 WeakPolarHBondContact O-CB 3.43Å; V770-I774 VanDerWaalsContact O-CG1 3.29Å; V770-I774 WeakPolarHBondContact O-CG1 3.47Å; V770-I774 PolarHBondContact O-N 3.44Å; I771-I774 PolarHBondContact O-N 3.06Å; I771-I774 VanDerWaalsContact O-N 3.15Å; A772-I774 PolarHBondContact O-N 3.34Å; I774-I776 VanDerWaalsContact C-N 3.28Å; I774-I776 PolarHBondContact O-N 2.74Å; I774-D777 WeakPolarHBondContact O-CB 3.16Å; I774-D777 PolarHBondContact O-N 2.78Å; I774-D777 VanDerWaalsContact O-N 3.17Å; I774-I778 HydrophobicContact CG2-CD1 3.82Å; I774-I778 HydrophobicContact CG2-CG1 4.35Å; I774-I778 VanDerWaalsContact O-CG1 3.26Å; I774-I778 WeakPolarHBondContact O-CG1 3.48Å; I774-I778 PolarHBondContact O-N 3.06Å; I774-F818 HydrophobicContact CG2-CE1 4.21Å; I774-F818 HydrophobicContact CG2-CZ 3.68Å; I774-Y822 HydrophobicContact CB-CE2 4.28Å; I774-Y822 HydrophobicContact CD1-CE2 4.13Å; I774-Y822 HydrophobicContact CG2-CD1 4.47Å; I774-Y822 HydrophobicContact CG2-CD2 4.06Å; I774-Y822 HydrophobicContact CG2-CE1 4.05Å; I774-Y822 HydrophobicContact CG2-CE2 3.64Å; I774-Y822 HydrophobicContact CG2-CG 4.46Å; I774-W825 HydrophobicContact CD1-CZ3 4.44Å
775	D	86.2	Confident	79.9	Confident	62 Å²	62	31.1 Å²	31.1	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-62.8	-37.3	179.2	-74.6	-16.6	0	0	0	111.4	I771 A772 I778 G779 Y822	I771-D775 WeakPolarHBondContact O-CB 3.15Å; I771-D775 PolarHBondContact O-N 2.92Å; A772-D775 PolarHBondContact O-N 3.24Å; D775-I778 WeakPolarHBondContact O-CB 3.18Å; D775-I778 PolarHBondContact O-N 3.45Å; D775-G779 PolarHBondContact O-N 2.94Å; D775-Y822 VanDerWaalsContact OD1-CE1 3.27Å; D775-Y822 WeakPolarHBondContact OD1-CE1 3.39Å; D775-Y822 PolarHBondContact OD1-OH 3.25Å
776	I	84.3	Confident	81.1	Confident	21 Å²	21	31.1 Å²	31.1	11%	0.108	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-43.7	173.1	-67.3	161.3	0	0	0	111	K252 A255 L256 A772 I774 I778 G779 L780	K252-I776 HydrophobicContact CB-CG2 4.16Å; K252-I776 HydrophobicContact CG-CG2 3.82Å; A255-I776 HydrophobicContact CB-CD1 3.87Å; A255-I776 HydrophobicContact CB-CG1 3.94Å; A255-I776 HydrophobicContact CB-CG2 3.85Å; L256-I776 HydrophobicContact CB-CD1 3.6Å; L256-I776 HydrophobicContact CD1-CD1 4.3Å; L256-I776 HydrophobicContact CG-CD1 4.2Å; L256-I776 VanDerWaalsContact N-CD1 3.26Å; A772-I776 WeakPolarHBondContact O-CB 3.28Å; A772-I776 VanDerWaalsContact O-CD1 3.26Å; A772-I776 WeakPolarHBondContact O-CD1 3.32Å; A772-I776 WeakPolarHBondContact O-CG1 3.49Å; A772-I776 PolarHBondContact O-N 2.67Å; I774-I776 VanDerWaalsContact C-N 3.28Å; I774-I776 PolarHBondContact O-N 2.74Å; I776-I778 VanDerWaalsContact C-N 3.27Å; I776-I778 PolarHBondContact O-N 3.5Å; I776-G779 PolarHBondContact O-N 2.6Å; I776-G779 VanDerWaalsContact O-N 3.15Å; I776-L780 HydrophobicContact CG2-CD1 3.98Å; I776-L780 HydrophobicContact CG2-CG 4.23Å; I776-L780 WeakPolarHBondContact O-CG 3.18Å; I776-L780 PolarHBondContact O-N 2.83Å
777	D	85.8	Confident	82	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.9	-43.5	174.3	-73	-19.6	0	0	0	110.6	K252 W721 K724 S773 I774 F781	K252-D777 VanDerWaalsContact CD-OD1 3.28Å; K252-D777 WeakPolarHBondContact CD-OD1 3.45Å; K252-D777 WeakPolarHBondContact CE-OD1 3.4Å; K252-D777 IonicContact NZ-OD1 2.79Å; K252-D777 PolarHBondContact NZ-OD1 3.42Å; K252-D777 IonicContact NZ-OD2 2.69Å; K252-D777 PolarHBondContact NZ-OD2 3.34Å; W721-D777 HydrophobicContact CH2-CB 3.98Å; W721-D777 HydrophobicContact CZ3-CB 4.48Å; K724-D777 IonicContact NZ-OD2 2.96Å; K724-D777 PolarHBondContact NZ-OD2 3.28Å; S773-D777 VanDerWaalsContact O-CG 3.28Å; S773-D777 PolarHBondContact O-N 3.05Å; I774-D777 WeakPolarHBondContact O-CB 3.16Å; I774-D777 PolarHBondContact O-N 2.78Å; I774-D777 VanDerWaalsContact O-N 3.17Å; D777-F781 VanDerWaalsContact O-CB 3.28Å; D777-F781 WeakPolarHBondContact O-CB 3.24Å; D777-F781 PolarHBondContact O-N 3.06Å
778	I	87.3	Confident	82.5	Confident	9 Å²	9	38.1 Å²	38.1	5%	0.046	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-44.8	175.6	-68.1	166.1	0	0	0	110.6	W721 I774 D775 I776 R782 F815 F818 Y819 Y822	W721-I778 HydrophobicContact CH2-CG1 4.24Å; W721-I778 HydrophobicContact CZ3-CG1 4.13Å; I774-I778 HydrophobicContact CG2-CD1 3.82Å; I774-I778 HydrophobicContact CG2-CG1 4.35Å; I774-I778 VanDerWaalsContact O-CG1 3.26Å; I774-I778 WeakPolarHBondContact O-CG1 3.48Å; I774-I778 PolarHBondContact O-N 3.06Å; D775-I778 WeakPolarHBondContact O-CB 3.18Å; D775-I778 PolarHBondContact O-N 3.45Å; I776-I778 VanDerWaalsContact C-N 3.27Å; I776-I778 PolarHBondContact O-N 3.5Å; I778-R782 WeakPolarHBondContact O-CB 3.29Å; I778-R782 VanDerWaalsContact O-CG 3.3Å; I778-R782 WeakPolarHBondContact O-CG 3.13Å; I778-R782 PolarHBondContact O-N 3.11Å; I778-F815 HydrophobicContact CB-CE2 4.37Å; I778-F815 HydrophobicContact CG1-CE2 4.08Å; I778-F815 HydrophobicContact CG2-CE2 4Å; I778-F815 HydrophobicContact CG2-CZ 3.94Å; I778-F818 HydrophobicContact CD1-CE1 4.05Å; I778-F818 HydrophobicContact CG1-CE1 4.14Å; I778-Y819 HydrophobicContact CD1-CD2 4.35Å; I778-Y822 HydrophobicContact CD1-CD1 3.81Å; I778-Y822 HydrophobicContact CD1-CE1 3.67Å
779	G	85.6	Confident	82.9	Confident	37 Å²	37	38.8 Å²	38.8	38%	0.381	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-49	179	0	0	0	0	0	112.7	D775 I776 F781 R782 E783	D775-G779 PolarHBondContact O-N 2.94Å; I776-G779 PolarHBondContact O-N 2.6Å; I776-G779 VanDerWaalsContact O-N 3.15Å; G779-F781 PolarHBondContact O-N 2.84Å; G779-R782 PolarHBondContact O-N 3.01Å; G779-E783 PolarHBondContact O-N 3.08Å
780	L	84.2	Confident	83.1	Confident	12 Å²	12	35.1 Å²	35.1	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-41.4	178	-67.6	175.9	0	0	0	111.7	L248 R251 K252 F719 I776 E783 L784	L248-L780 HydrophobicContact CD2-CD2 4.06Å; R251-L780 HydrophobicContact CB-CD2 4.37Å; K252-L780 HydrophobicContact CB-CD1 3.71Å; K252-L780 HydrophobicContact CG-CD1 4.46Å; F719-L780 HydrophobicContact CE1-CB 4.34Å; F719-L780 HydrophobicContact CZ-CB 4.1Å; I776-L780 HydrophobicContact CG2-CD1 3.98Å; I776-L780 HydrophobicContact CG2-CG 4.23Å; I776-L780 WeakPolarHBondContact O-CG 3.18Å; I776-L780 PolarHBondContact O-N 2.83Å; L780-E783 WeakPolarHBondContact O-CB 3.1Å; L780-E783 PolarHBondContact O-N 3.02Å; L780-L784 WeakPolarHBondContact O-CG 3.12Å; L780-L784 PolarHBondContact O-N 2.96Å
781	F	85.9	Confident	83	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-41.7	177.1	-174.9	-100.3	0	0	0	112.5	F719 W721 D777 G779 E783 L784 L785 I790 A811 F815	F719-F781 HydrophobicContact CB-CD2 4.34Å; F719-F781 HydrophobicContact CD1-CB 4.23Å; F719-F781 HydrophobicContact CD1-CD2 4.21Å; F719-F781 HydrophobicContact CD2-CD2 4.32Å; F719-F781 HydrophobicContact CE1-CB 4.05Å; F719-F781 HydrophobicContact CG-CD2 4.05Å; W721-F781 AromaticContact CE2-CD2 3.92Å; W721-F781 AromaticContact CE2-CG 3.95Å; W721-F781 HydrophobicContact CH2-CB 4.22Å; W721-F781 HydrophobicContact CZ2-CB 3.54Å; W721-F781 AromaticContact CZ2-CD1 3.95Å; W721-F781 HydrophobicContact CZ2-CD1 3.95Å; W721-F781 AromaticContact CZ2-CD2 3.7Å; W721-F781 HydrophobicContact CZ2-CD2 3.7Å; W721-F781 HydrophobicContact CZ2-CE2 4.36Å; W721-F781 AromaticContact CZ2-CG 3.46Å; W721-F781 HydrophobicContact CZ2-CG 3.46Å; W721-F781 VanDerWaalsContact CZ2-CG 3.46Å; W721-F781 AromaticContact NE1-CD2 3.51Å; W721-F781 AromaticContact NE1-CE1 3.79Å; W721-F781 AromaticContact NE1-CE2 3.26Å; W721-F781 VanDerWaalsContact NE1-CE2 3.26Å; W721-F781 AromaticContact NE1-CG 3.88Å; W721-F781 AromaticContact NE1-CZ 3.43Å; D777-F781 VanDerWaalsContact O-CB 3.28Å; D777-F781 WeakPolarHBondContact O-CB 3.24Å; D777-F781 PolarHBondContact O-N 3.06Å; G779-F781 PolarHBondContact O-N 2.84Å; F781-E783 VanDerWaalsContact C-N 3.32Å; F781-E783 PolarHBondContact O-N 3.31Å; F781-L784 PolarHBondContact O-N 3.42Å; F781-L785 HydrophobicContact CD1-CD1 3.71Å; F781-L785 HydrophobicContact CD1-CG 4.29Å; F781-L785 HydrophobicContact CE1-CD1 3.46Å; F781-L785 VanDerWaalsContact CE1-CD1 3.46Å; F781-L785 HydrophobicContact CE1-CD2 4.48Å; F781-L785 HydrophobicContact CE1-CG 4.06Å; F781-L785 HydrophobicContact CZ-CD1 4.29Å; F781-L785 HydrophobicContact CZ-CG 4.48Å; F781-L785 WeakPolarHBondContact O-CG 3.25Å; F781-L785 PolarHBondContact O-N 3Å; F781-I790 HydrophobicContact CD2-CD1 3.57Å; F781-I790 HydrophobicContact CE2-CD1 3.44Å; F781-I790 VanDerWaalsContact CE2-CD1 3.44Å; F781-I790 HydrophobicContact CG-CD1 4.43Å; F781-I790 HydrophobicContact CZ-CD1 4.21Å; F781-A811 HydrophobicContact CE2-CB 4.13Å; F781-A811 HydrophobicContact CZ-CB 4.07Å; F781-F815 HydrophobicContact CD1-CB 4.4Å; F781-F815 HydrophobicContact CD1-CD1 4.36Å; F781-F815 AromaticContact CD1-CD2 3.69Å; F781-F815 HydrophobicContact CD1-CD2 3.69Å; F781-F815 AromaticContact CD1-CE2 3.98Å; F781-F815 HydrophobicContact CD1-CE2 3.98Å; F781-F815 AromaticContact CD1-CG 3.89Å; F781-F815 HydrophobicContact CD1-CG 3.89Å; F781-F815 HydrophobicContact CD1-CZ 4.45Å; F781-F815 HydrophobicContact CE1-CB 3.66Å; F781-F815 HydrophobicContact CE1-CD1 4.05Å; F781-F815 AromaticContact CE1-CD2 3.83Å; F781-F815 HydrophobicContact CE1-CD2 3.83Å; F781-F815 HydrophobicContact CE1-CE2 4.49Å; F781-F815 AromaticContact CE1-CG 3.56Å; F781-F815 HydrophobicContact CE1-CG 3.56Å; F781-F815 HydrophobicContact CZ-CB 4.16Å
782	R	86.3	Confident	82.7	Confident	112 Å²	112	43.2 Å²	43.2	42%	0.423	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-40.1	174.1	-76.1	176.4	176.3	-172.4	1.2	112	I778 G779 L785 V786 F815	I778-R782 WeakPolarHBondContact O-CB 3.29Å; I778-R782 VanDerWaalsContact O-CG 3.3Å; I778-R782 WeakPolarHBondContact O-CG 3.13Å; I778-R782 PolarHBondContact O-N 3.11Å; G779-R782 PolarHBondContact O-N 3.01Å; R782-L785 PolarHBondContact O-N 3.18Å; R782-V786 VanDerWaalsContact O-CG2 3.23Å; R782-V786 WeakPolarHBondContact O-CG2 3.43Å; R782-V786 PolarHBondContact O-N 2.62Å; R782-F815 HydrophobicContact CG-CZ 4.39Å
783	E	83.9	Confident	82.3	Confident	51 Å²	51	48.9 Å²	48.9	24%	0.238	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-43.7	175.6	-171.7	-168.3	143.9	0	0	111.8	R251 G779 L780 F781 L785 V786 K787	R251-E783 IonicContact CZ-OE1 3Å; R251-E783 IonicContact CZ-OE2 2.96Å; R251-E783 IonicContact NH1-OE1 3.12Å; R251-E783 PolarHBondContact NH1-OE1 3.29Å; R251-E783 IonicContact NH1-OE2 3.38Å; R251-E783 PolarHBondContact NH1-OE2 2.91Å; R251-E783 VanDerWaalsContact NH2-CD 3.27Å; R251-E783 IonicContact NH2-OE1 3.9Å; R251-E783 PolarHBondContact NH2-OE1 2.93Å; R251-E783 VanDerWaalsContact NH2-OE1 3.08Å; R251-E783 IonicContact NH2-OE2 3.91Å; R251-E783 PolarHBondContact NH2-OE2 3.35Å; G779-E783 PolarHBondContact O-N 3.08Å; L780-E783 WeakPolarHBondContact O-CB 3.1Å; L780-E783 PolarHBondContact O-N 3.02Å; F781-E783 VanDerWaalsContact C-N 3.32Å; F781-E783 PolarHBondContact O-N 3.31Å; E783-L785 VanDerWaalsContact C-N 3.33Å; E783-L785 PolarHBondContact O-N 2.87Å; E783-V786 PolarHBondContact O-N 3.16Å; E783-K787 HydrophobicContact CG-CD 4.32Å; E783-K787 WeakPolarHBondContact O-CG 3.3Å; E783-K787 PolarHBondContact O-N 3.22Å; E783-K787 WeakPolarHBondContact OE1-CE 3.37Å; E783-K787 IonicContact OE1-NZ 3.72Å; E783-K787 PolarHBondContact OE1-NZ 3.41Å
784	L	83.6	Confident	81.8	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-36.8	176.5	-68.8	176.6	0	0	0	112.7	L248 F719 L780 F781 K787 G788 I789 I790 T802	L248-L784 HydrophobicContact CD1-CD1 3.69Å; L248-L784 HydrophobicContact CD1-CD2 3.87Å; L248-L784 HydrophobicContact CD1-CG 4.11Å; F719-L784 HydrophobicContact CE2-CD1 3.61Å; F719-L784 HydrophobicContact CZ-CD1 4.08Å; L780-L784 WeakPolarHBondContact O-CG 3.12Å; L780-L784 PolarHBondContact O-N 2.96Å; F781-L784 PolarHBondContact O-N 3.42Å; L784-K787 PolarHBondContact O-N 2.78Å; L784-G788 PolarHBondContact O-N 3.07Å; L784-I789 HydrophobicContact CD2-CB 4.42Å; L784-I789 HydrophobicContact CD2-CD1 3.76Å; L784-I789 HydrophobicContact CD2-CG2 4.49Å; L784-I789 PolarHBondContact O-N 2.89Å; L784-I789 VanDerWaalsContact O-N 3.13Å; L784-I790 HydrophobicContact CB-CD1 3.62Å; L784-I790 HydrophobicContact CB-CG1 3.95Å; L784-I790 HydrophobicContact CD1-CD1 3.84Å; L784-I790 HydrophobicContact CD1-CG1 4.44Å; L784-I790 HydrophobicContact CG-CD1 4.44Å; L784-T802 HydrophobicContact CD1-CG2 4.33Å
785	L	84.6	Confident	81.2	Confident	41 Å²	41	51.5 Å²	51.5	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-44.3	173.2	-74.4	171.3	0	0	0	111.7	F781 R782 E783 K787 G788 I790 M792 V812	F781-L785 HydrophobicContact CD1-CD1 3.71Å; F781-L785 HydrophobicContact CD1-CG 4.29Å; F781-L785 HydrophobicContact CE1-CD1 3.46Å; F781-L785 VanDerWaalsContact CE1-CD1 3.46Å; F781-L785 HydrophobicContact CE1-CD2 4.48Å; F781-L785 HydrophobicContact CE1-CG 4.06Å; F781-L785 HydrophobicContact CZ-CD1 4.29Å; F781-L785 HydrophobicContact CZ-CG 4.48Å; F781-L785 WeakPolarHBondContact O-CG 3.25Å; F781-L785 PolarHBondContact O-N 3Å; R782-L785 PolarHBondContact O-N 3.18Å; E783-L785 VanDerWaalsContact C-N 3.33Å; E783-L785 PolarHBondContact O-N 2.87Å; L785-K787 VanDerWaalsContact C-N 3.3Å; L785-K787 PolarHBondContact O-N 2.72Å; L785-G788 PolarHBondContact O-N 2.67Å; L785-G788 VanDerWaalsContact O-N 3.09Å; L785-I790 HydrophobicContact CD2-CB 3.83Å; L785-I790 HydrophobicContact CD2-CG2 3.79Å; L785-I790 HydrophobicContact CG-CB 4.5Å; L785-M792 HydrophobicContact CD2-SD 4.14Å; L785-V812 HydrophobicContact CD2-CG2 3.72Å
786	V	84.1	Confident	80.4	Confident	131 Å²	131	53 Å²	53	79%	0.794	30%	0.304	S	S	*	.	H	α-helix	trans	-65.3	-35.9	178.8	173.4	0	0	0	0	111.2	R782 E783 G788	R782-V786 VanDerWaalsContact O-CG2 3.23Å; R782-V786 WeakPolarHBondContact O-CG2 3.43Å; R782-V786 PolarHBondContact O-N 2.62Å; E783-V786 PolarHBondContact O-N 3.16Å; V786-G788 PolarHBondContact O-N 3.48Å
787	K	82.7	Confident	79.7	Confident	123 Å²	123	52.8 Å²	52.8	54%	0.535	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.1	174.8	-74.3	177.2	171.1	173.5	0	113.9	E783 L784 L785 I789	E783-K787 HydrophobicContact CG-CD 4.32Å; E783-K787 WeakPolarHBondContact O-CG 3.3Å; E783-K787 PolarHBondContact O-N 3.22Å; E783-K787 WeakPolarHBondContact OE1-CE 3.37Å; E783-K787 IonicContact OE1-NZ 3.72Å; E783-K787 PolarHBondContact OE1-NZ 3.41Å; L784-K787 PolarHBondContact O-N 2.78Å; L785-K787 VanDerWaalsContact C-N 3.3Å; L785-K787 PolarHBondContact O-N 2.72Å; K787-I789 HydrophobicContact CB-CD1 3.95Å; K787-I789 HydrophobicContact CB-CG1 4.06Å; K787-I789 HydrophobicContact CD-CD1 4.24Å; K787-I789 PolarHBondContact O-N 3.46Å
788	G	78.2	Confident	78.6	Confident	57 Å²	57	59.8 Å²	59.8	59%	0.588	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	12.1	-178.9	0	0	0	0	0	114.8	L784 L785 V786	L784-G788 PolarHBondContact O-N 3.07Å; L785-G788 PolarHBondContact O-N 2.67Å; L785-G788 VanDerWaalsContact O-N 3.09Å; V786-G788 PolarHBondContact O-N 3.48Å
789	I	79.1	Confident	77.5	Confident	56 Å²	56	60.7 Å²	60.7	29%	0.287	35%	0.348	S	S	.	.			trans	-73	-33.8	179.1	-62.5	167	0	0	0	110.4	L784 K787 P791 V797 E801 T802	L784-I789 HydrophobicContact CD2-CB 4.42Å; L784-I789 HydrophobicContact CD2-CD1 3.76Å; L784-I789 HydrophobicContact CD2-CG2 4.49Å; L784-I789 PolarHBondContact O-N 2.89Å; L784-I789 VanDerWaalsContact O-N 3.13Å; K787-I789 HydrophobicContact CB-CD1 3.95Å; K787-I789 HydrophobicContact CB-CG1 4.06Å; K787-I789 HydrophobicContact CD-CD1 4.24Å; K787-I789 PolarHBondContact O-N 3.46Å; I789-P791 WeakPolarHBondContact O-CD 3.45Å; I789-V797 HydrophobicContact CG2-CG1 4.45Å; I789-E801 HydrophobicContact CG2-CB 4.14Å; I789-T802 HydrophobicContact CG2-CG2 4.26Å
790	I	78.4	Confident	76.3	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.031	36%	0.36	C	S	.	.	S	Bend	trans	-96	114.4	175.5	-61	174.9	0	0	0	108.3	F781 L784 L785 V807 V812	F781-I790 HydrophobicContact CD2-CD1 3.57Å; F781-I790 HydrophobicContact CE2-CD1 3.44Å; F781-I790 VanDerWaalsContact CE2-CD1 3.44Å; F781-I790 HydrophobicContact CG-CD1 4.43Å; F781-I790 HydrophobicContact CZ-CD1 4.21Å; L784-I790 HydrophobicContact CB-CD1 3.62Å; L784-I790 HydrophobicContact CB-CG1 3.95Å; L784-I790 HydrophobicContact CD1-CD1 3.84Å; L784-I790 HydrophobicContact CD1-CG1 4.44Å; L784-I790 HydrophobicContact CG-CD1 4.44Å; L785-I790 HydrophobicContact CD2-CB 3.83Å; L785-I790 HydrophobicContact CD2-CG2 3.79Å; L785-I790 HydrophobicContact CG-CB 4.5Å; I790-V807 HydrophobicContact CD1-CG2 4.23Å; I790-V807 HydrophobicContact CG1-CG2 4.44Å; I790-V807 HydrophobicContact CG2-CG1 4.28Å; I790-V812 HydrophobicContact CG2-CG2 4.3Å
791	P	73.6	Confident	75.2	Confident	35 Å²	35	68.8 Å²	68.8	23%	0.227	39%	0.386	C	S	.	.			trans	-74.4	137.5	-175.4	31.7	-34.9	0	0	0	110.4	I789 D793 G794 S795 V797	I789-P791 WeakPolarHBondContact O-CD 3.45Å; P791-D793 VanDerWaalsContact CB-OD1 3.32Å; P791-D793 WeakPolarHBondContact CB-OD1 3.48Å; P791-D793 PolarHBondContact O-N 3.34Å; P791-G794 PolarHBondContact O-N 3.25Å; P791-S795 WeakPolarHBondContact CB-OG 3.44Å; P791-S795 WeakPolarHBondContact CG-OG 3.46Å; P791-V797 HydrophobicContact CG-CG2 4.08Å
792	M	74.9	Confident	74.1	Confident	140 Å²	140	68.8 Å²	68.8	69%	0.69	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.5	-176.8	-67.7	-69.9	-79.8	0	0	113.1	L785 G794 V812	L785-M792 HydrophobicContact CD2-SD 4.14Å; M792-G794 VanDerWaalsContact C-N 3.26Å; M792-G794 PolarHBondContact O-N 3.39Å; M792-V812 HydrophobicContact CE-CG1 4.47Å; M792-V812 HydrophobicContact SD-CG1 4.24Å; M792-V812 HydrophobicContact SD-CG2 4.17Å
793	D	71.8	Confident	72.8	Confident	122 Å²	122	64.3 Å²	64.3	65%	0.652	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.9	-180	64.9	5.6	0	0	0	113.8	P791 S795	P791-D793 VanDerWaalsContact CB-OD1 3.32Å; P791-D793 WeakPolarHBondContact CB-OD1 3.48Å; P791-D793 PolarHBondContact O-N 3.34Å; D793-S795 WeakPolarHBondContact OD1-CB 3.3Å; D793-S795 PolarHBondContact OD1-N 3.12Å; D793-S795 PolarHBondContact OD1-OG 2.66Å
794	G	70.8	Confident	71.8	Confident	13 Å²	13	65 Å²	65	13%	0.134	40%	0.395	C	S	.	.			trans	87.2	10.6	178.9	0	0	0	0	0	114.8	P791 M792 P809 N810	P791-G794 PolarHBondContact O-N 3.25Å; M792-G794 VanDerWaalsContact C-N 3.26Å; M792-G794 PolarHBondContact O-N 3.39Å; G794-P809 WeakPolarHBondContact O-CA 3.07Å; G794-N810 PolarHBondContact O-N 3.39Å
795	S	72.8	Confident	71.1	Confident	48 Å²	48	65.7 Å²	65.7	34%	0.336	40%	0.398	S	S	.	.			trans	-66.5	146.6	173.8	54.1	0	0	0	0	112.4	P791 D793	P791-S795 WeakPolarHBondContact CB-OG 3.44Å; P791-S795 WeakPolarHBondContact CG-OG 3.46Å; D793-S795 WeakPolarHBondContact OD1-CB 3.3Å; D793-S795 PolarHBondContact OD1-N 3.12Å; D793-S795 PolarHBondContact OD1-OG 2.66Å
796	P	69.6	Low	70.3	Confident	93 Å²	93	71.8 Å²	71.8	60%	0.604	42%	0.418	S	S	*	.			trans	-72.1	142.8	179.9	29.1	-33.7	0	0	0	111.2	P809	P796-P809 HydrophobicContact CB-CG 4.31Å
797	V	69.8	Low	69.9	Low	17 Å²	17	66 Å²	66	10%	0.103	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-108.6	139.2	178.4	-174.2	0	0	0	0	109.5	I789 P791 E801 T802 V807	I789-V797 HydrophobicContact CG2-CG1 4.45Å; P791-V797 HydrophobicContact CG-CG2 4.08Å; V797-E801 HydrophobicContact CG1-CB 4.09Å; V797-E801 WeakPolarHBondContact CG1-OE2 3.08Å; V797-T802 HydrophobicContact CB-CG2 4.29Å; V797-T802 HydrophobicContact CG1-CG2 3.7Å; V797-V807 HydrophobicContact CB-CB 4.22Å; V797-V807 HydrophobicContact CG2-CG1 4.47Å
798	Q	62.5	Low	69.5	Low	146 Å²	146	63.9 Å²	63.9	68%	0.682	37%	0.372	S	S	*	.			trans	-67.7	143.3	175.6	-66.1	-152.7	2.6	0	0	111.2	S800 E801 T802	Q798-S800 PolarHBondContact O-N 3.32Å; Q798-S800 VanDerWaalsContact O-N 3.1Å; Q798-E801 PolarHBondContact O-N 3.25Å; Q798-T802 PolarHBondContact O-OG1 3.1Å; Q798-T802 VanDerWaalsContact O-OG1 3.09Å
799	G	64.6	Low	69.3	Low	29 Å²	29	64.6 Å²	64.6	30%	0.299	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.1	-178.5	0	0	0	0	0	114.2	T802 G803 G804	G799-T802 VanDerWaalsContact CA-OG1 3.31Å; G799-T802 WeakPolarHBondContact CA-OG1 3.41Å; G799-T802 PolarHBondContact O-OG1 3.01Å; G799-G803 PolarHBondContact O-N 3.28Å; G799-G804 WeakPolarHBondContact O-CA 3.38Å; G799-G804 PolarHBondContact O-N 3.37Å
800	S	61.9	Low	69.3	Low	90 Å²	90	66.2 Å²	66.2	63%	0.629	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-44.5	177.3	45	0	0	0	0	112.3	Q798 T802 G803	Q798-S800 PolarHBondContact O-N 3.32Å; Q798-S800 VanDerWaalsContact O-N 3.1Å; S800-T802 VanDerWaalsContact C-N 3.25Å; S800-T802 PolarHBondContact O-N 2.89Å; S800-G803 PolarHBondContact O-N 3.32Å
801	E	60.6	Low	69.4	Low	128 Å²	128	66.2 Å²	66.2	60%	0.598	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.3	-178.6	-61.8	-178.8	168	0	0	112.5	I789 V797 Q798	I789-E801 HydrophobicContact CG2-CB 4.14Å; V797-E801 HydrophobicContact CG1-CB 4.09Å; V797-E801 WeakPolarHBondContact CG1-OE2 3.08Å; Q798-E801 PolarHBondContact O-N 3.25Å
802	T	61.8	Low	69.9	Low	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	20.7	-176.3	45.9	0	0	0	0	111.7	L248 L784 I789 V797 Q798 G799 S800 G804 F805 V807	L248-T802 WeakPolarHBondContact CD1-O 3.38Å; L784-T802 HydrophobicContact CD1-CG2 4.33Å; I789-T802 HydrophobicContact CG2-CG2 4.26Å; V797-T802 HydrophobicContact CB-CG2 4.29Å; V797-T802 HydrophobicContact CG1-CG2 3.7Å; Q798-T802 PolarHBondContact O-OG1 3.1Å; Q798-T802 VanDerWaalsContact O-OG1 3.09Å; G799-T802 VanDerWaalsContact CA-OG1 3.31Å; G799-T802 WeakPolarHBondContact CA-OG1 3.41Å; G799-T802 PolarHBondContact O-OG1 3.01Å; S800-T802 VanDerWaalsContact C-N 3.25Å; S800-T802 PolarHBondContact O-N 2.89Å; T802-G804 PolarHBondContact O-N 3.05Å; T802-G804 VanDerWaalsContact O-N 3.13Å; T802-F805 WeakPolarHBondContact CB-O 3.35Å; T802-F805 PolarHBondContact O-N 3.23Å; T802-F805 PolarHBondContact OG1-O 3.37Å; T802-V807 HydrophobicContact CG2-CG2 3.69Å
803	G	60	Low	70.4	Confident	19 Å²	19	68.3 Å²	68.3	20%	0.196	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	29.9	172.4	0	0	0	0	0	114.1	L248 G799 S800	L248-G803 PolarHBondContact N-O 3.21Å; G799-G803 PolarHBondContact O-N 3.28Å; S800-G803 PolarHBondContact O-N 3.32Å
804	G	63.1	Low	71	Confident	64 Å²	64	63 Å²	63	66%	0.66	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.6	-7.2	178.2	0	0	0	0	0	115.9	G799 T802	G799-G804 WeakPolarHBondContact O-CA 3.38Å; G799-G804 PolarHBondContact O-N 3.37Å; T802-G804 PolarHBondContact O-N 3.05Å; T802-G804 VanDerWaalsContact O-N 3.13Å
805	F	67.9	Low	71.9	Confident	22 Å²	22	62.8 Å²	62.8	10%	0.096	34%	0.341	C	S	.	.			trans	-87	126.2	178.2	-74.9	-83.7	0	0	0	112	L248 L249 K252 F719 T802 V807	L248-F805 HydrophobicContact CB-CD2 3.62Å; L248-F805 HydrophobicContact CB-CE2 3.57Å; L248-F805 HydrophobicContact CD1-CD2 4.29Å; L249-F805 HydrophobicContact CB-CE2 4.49Å; L249-F805 HydrophobicContact CD1-CZ 4.23Å; K252-F805 HydrophobicContact CD-CZ 4.12Å; F719-F805 HydrophobicContact CD2-CB 3.44Å; F719-F805 VanDerWaalsContact CD2-CB 3.44Å; F719-F805 HydrophobicContact CD2-CD1 4.35Å; F719-F805 AromaticContact CD2-CG 3.96Å; F719-F805 HydrophobicContact CD2-CG 3.96Å; F719-F805 HydrophobicContact CE2-CB 3.45Å; F719-F805 VanDerWaalsContact CE2-CB 3.45Å; F719-F805 HydrophobicContact CE2-CD1 4.33Å; F719-F805 AromaticContact CE2-CD2 4Å; F719-F805 HydrophobicContact CE2-CD2 4Å; F719-F805 AromaticContact CE2-CG 3.68Å; F719-F805 HydrophobicContact CE2-CG 3.68Å; F719-F805 HydrophobicContact CG-CB 4.31Å; F719-F805 HydrophobicContact CZ-CB 4.33Å; F719-F805 HydrophobicContact CZ-CD1 4.48Å; F719-F805 HydrophobicContact CZ-CD2 4.13Å; F719-F805 HydrophobicContact CZ-CG 4.07Å; T802-F805 WeakPolarHBondContact CB-O 3.35Å; T802-F805 PolarHBondContact O-N 3.23Å; T802-F805 PolarHBondContact OG1-O 3.37Å; F805-V807 PolarHBondContact O-N 3.49Å
806	R	69	Low	72.6	Confident	168 Å²	168	67.7 Å²	67.7	63%	0.634	35%	0.354	S	S	*	.			trans	-69.9	126.7	171.9	-70.5	-178	178.3	174.9	-2	110.4
807	V	74.3	Confident	73.5	Confident	9 Å²	9	71.3 Å²	71.3	6%	0.055	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-105.2	115.8	171.9	179.1	0	0	0	0	108.5	F719 I790 V797 T802 F805 A811	F719-V807 HydrophobicContact CD2-CG2 4.03Å; I790-V807 HydrophobicContact CD1-CG2 4.23Å; I790-V807 HydrophobicContact CG1-CG2 4.44Å; I790-V807 HydrophobicContact CG2-CG1 4.28Å; V797-V807 HydrophobicContact CB-CB 4.22Å; V797-V807 HydrophobicContact CG2-CG1 4.47Å; T802-V807 HydrophobicContact CG2-CG2 3.69Å; F805-V807 PolarHBondContact O-N 3.49Å; V807-A811 HydrophobicContact CG1-CB 3.65Å
808	Y	74	Confident	74.5	Confident	80 Å²	80	70.5 Å²	70.5	31%	0.314	35%	0.35	S	S	.	.			trans	-76.1	154.9	179.9	-69.4	-91.4	0	0	0	111.7	Q662 D720 A811	Q662-Y808 PolarHBondContact O-OH 3.47Å; D720-Y808 HydrophobicContact CB-CD2 4.09Å; D720-Y808 HydrophobicContact CB-CE2 3.76Å; Y808-A811 VanDerWaalsContact O-CB 3.28Å; Y808-A811 WeakPolarHBondContact O-CB 3.22Å; Y808-A811 PolarHBondContact O-N 3.33Å
809	P	74.5	Confident	75.7	Confident	72 Å²	72	67.3 Å²	67.3	47%	0.468	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	144.2	171.2	-23.6	32.5	0	0	0	111.5	G794 P796 A811	G794-P809 WeakPolarHBondContact O-CA 3.07Å; P796-P809 HydrophobicContact CB-CG 4.31Å; P809-A811 PolarHBondContact O-N 2.92Å
810	N	79.1	Confident	76.9	Confident	90 Å²	90	73.9 Å²	73.9	48%	0.481	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	21.3	-176.8	-57.5	-54.6	0	0	0	115.7	G794 V812 R813 S814	G794-N810 PolarHBondContact O-N 3.39Å; N810-V812 PolarHBondContact O-N 2.83Å; N810-R813 PolarHBondContact O-N 3.14Å; N810-S814 PolarHBondContact O-N 3.25Å; N810-S814 VanDerWaalsContact O-N 3.14Å; N810-S814 PolarHBondContact O-OG 2.74Å
811	A	81.9	Confident	78	Confident	6 Å²	6	70.5 Å²	70.5	5%	0.05	33%	0.328	C	S	.	.	H	α-helix	trans	-49.3	-36.7	-178	0	0	0	0	0	114.2	F781 V807 Y808 P809 S814 F815	F781-A811 HydrophobicContact CE2-CB 4.13Å; F781-A811 HydrophobicContact CZ-CB 4.07Å; V807-A811 HydrophobicContact CG1-CB 3.65Å; Y808-A811 VanDerWaalsContact O-CB 3.28Å; Y808-A811 WeakPolarHBondContact O-CB 3.22Å; Y808-A811 PolarHBondContact O-N 3.33Å; P809-A811 PolarHBondContact O-N 2.92Å; A811-S814 PolarHBondContact O-N 3.21Å; A811-F815 VanDerWaalsContact O-CB 3.26Å; A811-F815 WeakPolarHBondContact O-CB 3.44Å; A811-F815 PolarHBondContact O-N 2.69Å
812	V	83.8	Confident	79.3	Confident	14 Å²	14	64.5 Å²	64.5	9%	0.085	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-45.9	178	179.9	0	0	0	0	111.8	L785 I790 M792 N810 F815 Y816	L785-V812 HydrophobicContact CD2-CG2 3.72Å; I790-V812 HydrophobicContact CG2-CG2 4.3Å; M792-V812 HydrophobicContact CE-CG1 4.47Å; M792-V812 HydrophobicContact SD-CG1 4.24Å; M792-V812 HydrophobicContact SD-CG2 4.17Å; N810-V812 PolarHBondContact O-N 2.83Å; V812-F815 WeakPolarHBondContact O-CB 3.45Å; V812-F815 PolarHBondContact O-N 3.31Å; V812-Y816 HydrophobicContact CG1-CD2 4.03Å; V812-Y816 HydrophobicContact CG1-CE2 3.62Å; V812-Y816 WeakPolarHBondContact O-CD2 3.28Å; V812-Y816 PolarHBondContact O-N 3.15Å; V812-Y816 VanDerWaalsContact O-N 3.11Å
813	R	85.4	Confident	80.4	Confident	204 Å²	204	69.3 Å²	69.3	77%	0.77	32%	0.321	S	S	*	.	H	α-helix	trans	-66.5	-42	178.8	-172.4	176.8	-175.8	165.7	1.2	110.8	N810 F815 Y816 R817	N810-R813 PolarHBondContact O-N 3.14Å; R813-F815 VanDerWaalsContact C-N 3.33Å; R813-Y816 PolarHBondContact O-N 3.16Å; R813-R817 PolarHBondContact O-N 3.35Å
814	S	84.8	Confident	81.5	Confident	11 Å²	11	70.4 Å²	70.4	8%	0.077	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-37.7	177.8	-53.9	0	0	0	0	111.5	E722 N810 A811 R817 F818	E722-S814 WeakPolarHBondContact CG-OG 3.27Å; E722-S814 PolarHBondContact OE1-OG 3.41Å; N810-S814 PolarHBondContact O-N 3.25Å; N810-S814 VanDerWaalsContact O-N 3.14Å; N810-S814 PolarHBondContact O-OG 2.74Å; A811-S814 PolarHBondContact O-N 3.21Å; S814-R817 PolarHBondContact O-N 3.39Å; S814-F818 WeakPolarHBondContact O-CB 3.35Å; S814-F818 PolarHBondContact O-N 3.07Å
815	F	88.5	Confident	82.4	Confident	8 Å²	8	67.7 Å²	67.7	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-46.8	172.9	174.3	-100.2	0	0	0	112.5	W721 I778 F781 R782 A811 V812 R813 R817 F818 Y819	W721-F815 HydrophobicContact CD2-CB 4.28Å; W721-F815 AromaticContact CD2-CD2 3.76Å; W721-F815 HydrophobicContact CD2-CD2 3.76Å; W721-F815 AromaticContact CE2-CD2 3.64Å; W721-F815 HydrophobicContact CE3-CD2 4.05Å; W721-F815 HydrophobicContact CG-CB 3.93Å; W721-F815 HydrophobicContact CG-CD2 4.31Å; W721-F815 HydrophobicContact CH2-CD2 4.13Å; W721-F815 HydrophobicContact CH2-CE2 4.25Å; W721-F815 AromaticContact CZ2-CD2 3.86Å; W721-F815 HydrophobicContact CZ2-CD2 3.86Å; W721-F815 HydrophobicContact CZ2-CE2 4.31Å; W721-F815 HydrophobicContact CZ3-CD2 4.21Å; W721-F815 HydrophobicContact CZ3-CE2 4.44Å; I778-F815 HydrophobicContact CB-CE2 4.37Å; I778-F815 HydrophobicContact CG1-CE2 4.08Å; I778-F815 HydrophobicContact CG2-CE2 4Å; I778-F815 HydrophobicContact CG2-CZ 3.94Å; F781-F815 HydrophobicContact CD1-CB 4.4Å; F781-F815 HydrophobicContact CD1-CD1 4.36Å; F781-F815 AromaticContact CD1-CD2 3.69Å; F781-F815 HydrophobicContact CD1-CD2 3.69Å; F781-F815 AromaticContact CD1-CE2 3.98Å; F781-F815 HydrophobicContact CD1-CE2 3.98Å; F781-F815 AromaticContact CD1-CG 3.89Å; F781-F815 HydrophobicContact CD1-CG 3.89Å; F781-F815 HydrophobicContact CD1-CZ 4.45Å; F781-F815 HydrophobicContact CE1-CB 3.66Å; F781-F815 HydrophobicContact CE1-CD1 4.05Å; F781-F815 AromaticContact CE1-CD2 3.83Å; F781-F815 HydrophobicContact CE1-CD2 3.83Å; F781-F815 HydrophobicContact CE1-CE2 4.49Å; F781-F815 AromaticContact CE1-CG 3.56Å; F781-F815 HydrophobicContact CE1-CG 3.56Å; F781-F815 HydrophobicContact CZ-CB 4.16Å; R782-F815 HydrophobicContact CG-CZ 4.39Å; A811-F815 VanDerWaalsContact O-CB 3.26Å; A811-F815 WeakPolarHBondContact O-CB 3.44Å; A811-F815 PolarHBondContact O-N 2.69Å; V812-F815 WeakPolarHBondContact O-CB 3.45Å; V812-F815 PolarHBondContact O-N 3.31Å; R813-F815 VanDerWaalsContact C-N 3.33Å; F815-R817 VanDerWaalsContact C-N 3.31Å; F815-R817 PolarHBondContact O-N 3.34Å; F815-F818 PolarHBondContact O-N 3.3Å; F815-Y819 HydrophobicContact CZ-CD2 4.45Å; F815-Y819 VanDerWaalsContact O-CB 3.3Å; F815-Y819 WeakPolarHBondContact O-CB 3.42Å; F815-Y819 PolarHBondContact O-N 3.21Å
816	Y	88.1	Confident	82.9	Confident	152 Å²	152	69.6 Å²	69.6	60%	0.596	31%	0.306	S	S	*	.	H	α-helix	trans	-60.8	-41	177.8	-79.7	-65.1	0	0	0	112.5	V812 R813 K820	V812-Y816 HydrophobicContact CG1-CD2 4.03Å; V812-Y816 HydrophobicContact CG1-CE2 3.62Å; V812-Y816 WeakPolarHBondContact O-CD2 3.28Å; V812-Y816 PolarHBondContact O-N 3.15Å; V812-Y816 VanDerWaalsContact O-N 3.11Å; R813-Y816 PolarHBondContact O-N 3.16Å; Y816-K820 PolarHBondContact O-N 2.95Å
817	R	88	Confident	83.2	Confident	168 Å²	168	70.7 Å²	70.7	63%	0.634	31%	0.31	S	S	*	.	H	α-helix	trans	-63.2	-49.6	175.4	-176.7	-179	-179.5	172.1	3.7	111.1	R813 S814 F815 Y819 K820 I821	R813-R817 PolarHBondContact O-N 3.35Å; S814-R817 PolarHBondContact O-N 3.39Å; F815-R817 VanDerWaalsContact C-N 3.31Å; F815-R817 PolarHBondContact O-N 3.34Å; R817-Y819 PolarHBondContact O-N 3.4Å; R817-K820 PolarHBondContact O-N 3.17Å; R817-I821 HydrophobicContact CG-CD1 4.21Å; R817-I821 WeakPolarHBondContact O-CG1 3.14Å; R817-I821 PolarHBondContact O-N 3.36Å
818	F	90.2	Very high	83	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-56.7	-49.4	176.4	165.1	-102.6	0	0	0	111.9	W721 K724 A725 I728 I774 I778 S814 F815 K820 I821 Y822	W721-F818 HydrophobicContact CB-CB 3.95Å; W721-F818 HydrophobicContact CB-CG 4.39Å; W721-F818 HydrophobicContact CD2-CD1 4.28Å; W721-F818 AromaticContact CE3-CD1 3.35Å; W721-F818 HydrophobicContact CE3-CD1 3.35Å; W721-F818 AromaticContact CE3-CE1 3.56Å; W721-F818 HydrophobicContact CE3-CE1 3.56Å; W721-F818 AromaticContact CE3-CG 3.93Å; W721-F818 HydrophobicContact CE3-CG 3.93Å; W721-F818 HydrophobicContact CE3-CZ 4.29Å; W721-F818 AromaticContact CZ3-CD1 3.84Å; W721-F818 HydrophobicContact CZ3-CD1 3.84Å; W721-F818 AromaticContact CZ3-CE1 3.58Å; W721-F818 HydrophobicContact CZ3-CE1 3.58Å; W721-F818 HydrophobicContact CZ3-CZ 4.31Å; K724-F818 HydrophobicContact CB-CD2 3.72Å; K724-F818 HydrophobicContact CB-CE2 3.46Å; K724-F818 VanDerWaalsContact CB-CE2 3.46Å; K724-F818 HydrophobicContact CB-CZ 4.25Å; K724-F818 HydrophobicContact CD-CE2 4.23Å; K724-F818 HydrophobicContact CD-CZ 4.21Å; K724-F818 HydrophobicContact CG-CE2 4.48Å; A725-F818 HydrophobicContact CB-CB 4.17Å; A725-F818 HydrophobicContact CB-CD2 4.15Å; I728-F818 HydrophobicContact CD1-CD2 4.48Å; I728-F818 HydrophobicContact CD1-CE2 3.66Å; I728-F818 HydrophobicContact CD1-CZ 4.43Å; I774-F818 HydrophobicContact CG2-CE1 4.21Å; I774-F818 HydrophobicContact CG2-CZ 3.68Å; I778-F818 HydrophobicContact CD1-CE1 4.05Å; I778-F818 HydrophobicContact CG1-CE1 4.14Å; S814-F818 WeakPolarHBondContact O-CB 3.35Å; S814-F818 PolarHBondContact O-N 3.07Å; F815-F818 PolarHBondContact O-N 3.3Å; F818-K820 VanDerWaalsContact C-N 3.27Å; F818-K820 PolarHBondContact O-N 3.47Å; F818-I821 WeakPolarHBondContact O-CB 3.4Å; F818-I821 PolarHBondContact O-N 2.66Å; F818-Y822 HydrophobicContact CE1-CG 4.45Å; F818-Y822 HydrophobicContact CZ-CD2 4.28Å; F818-Y822 HydrophobicContact CZ-CG 4.08Å; F818-Y822 WeakPolarHBondContact O-CB 3.26Å; F818-Y822 PolarHBondContact O-N 3.43Å
819	Y	88.7	Confident	82.4	Confident	79 Å²	79	71.2 Å²	71.2	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-36.3	-176.4	-173.4	-106	0	0	0	112.3	I778 F815 R817 K823	I778-Y819 HydrophobicContact CD1-CD2 4.35Å; F815-Y819 HydrophobicContact CZ-CD2 4.45Å; F815-Y819 VanDerWaalsContact O-CB 3.3Å; F815-Y819 WeakPolarHBondContact O-CB 3.42Å; F815-Y819 PolarHBondContact O-N 3.21Å; R817-Y819 PolarHBondContact O-N 3.4Å; Y819-K823 VanDerWaalsContact O-CB 3.25Å; Y819-K823 WeakPolarHBondContact O-CB 3.41Å; Y819-K823 PolarHBondContact O-N 3.11Å
820	K	88.4	Confident	81.5	Confident	167 Å²	167	74 Å²	74	73%	0.726	33%	0.334	S	S	*	.	H	α-helix	trans	-63.1	-43.8	173.6	-173.4	179.2	178.1	-178.4	0	111.9	Y816 R817 F818 S824	Y816-K820 PolarHBondContact O-N 2.95Å; R817-K820 PolarHBondContact O-N 3.17Å; F818-K820 VanDerWaalsContact C-N 3.27Å; F818-K820 PolarHBondContact O-N 3.47Å; K820-S824 PolarHBondContact O-N 3Å
821	I	86.7	Confident	80.4	Confident	19 Å²	19	71.8 Å²	71.8	10%	0.097	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-49.8	178.6	-65.5	165.7	0	0	0	110.1	A725 I728 E729 R817 F818 K823 S824 W825	A725-I821 HydrophobicContact CB-CD1 3.87Å; I728-I821 HydrophobicContact CB-CG2 4.16Å; I728-I821 HydrophobicContact CG2-CG2 3.71Å; E729-I821 HydrophobicContact CG-CD1 3.92Å; E729-I821 HydrophobicContact CG-CG1 4.47Å; E729-I821 HydrophobicContact CG-CG2 4.02Å; E729-I821 WeakPolarHBondContact OE1-CG1 3.3Å; E729-I821 WeakPolarHBondContact OE1-CG2 3.19Å; R817-I821 HydrophobicContact CG-CD1 4.21Å; R817-I821 WeakPolarHBondContact O-CG1 3.14Å; R817-I821 PolarHBondContact O-N 3.36Å; F818-I821 WeakPolarHBondContact O-CB 3.4Å; F818-I821 PolarHBondContact O-N 2.66Å; I821-K823 PolarHBondContact O-N 2.71Å; I821-S824 WeakPolarHBondContact O-CB 3.44Å; I821-S824 PolarHBondContact O-N 3.2Å; I821-S824 VanDerWaalsContact O-N 3.08Å; I821-W825 PolarHBondContact O-N 3.49Å
822	Y	86.6	Confident	79	Confident	3 Å²	3	78.4 Å²	78.4	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-57.6	-46	178.8	179	-116.2	0	0	0	112.3	I728 I771 I774 D775 I778 F818 S824 W825 L826	I728-Y822 HydrophobicContact CD1-CD2 4.05Å; I771-Y822 WeakPolarHBondContact CG2-OH 2.89Å; I774-Y822 HydrophobicContact CB-CE2 4.28Å; I774-Y822 HydrophobicContact CD1-CE2 4.13Å; I774-Y822 HydrophobicContact CG2-CD1 4.47Å; I774-Y822 HydrophobicContact CG2-CD2 4.06Å; I774-Y822 HydrophobicContact CG2-CE1 4.05Å; I774-Y822 HydrophobicContact CG2-CE2 3.64Å; I774-Y822 HydrophobicContact CG2-CG 4.46Å; D775-Y822 VanDerWaalsContact OD1-CE1 3.27Å; D775-Y822 WeakPolarHBondContact OD1-CE1 3.39Å; D775-Y822 PolarHBondContact OD1-OH 3.25Å; I778-Y822 HydrophobicContact CD1-CD1 3.81Å; I778-Y822 HydrophobicContact CD1-CE1 3.67Å; F818-Y822 HydrophobicContact CE1-CG 4.45Å; F818-Y822 HydrophobicContact CZ-CD2 4.28Å; F818-Y822 HydrophobicContact CZ-CG 4.08Å; F818-Y822 WeakPolarHBondContact O-CB 3.26Å; F818-Y822 PolarHBondContact O-N 3.43Å; Y822-S824 VanDerWaalsContact C-N 3.27Å; Y822-S824 PolarHBondContact O-N 2.99Å; Y822-W825 HydrophobicContact CD2-CE3 4Å; Y822-W825 HydrophobicContact CD2-CZ3 4.46Å; Y822-W825 HydrophobicContact CE2-CE3 4.24Å; Y822-W825 HydrophobicContact CE2-CZ3 4.41Å; Y822-W825 WeakPolarHBondContact O-CB 3.09Å; Y822-W825 PolarHBondContact O-N 2.91Å; Y822-L826 HydrophobicContact CD1-CD1 4.03Å; Y822-L826 HydrophobicContact CD2-CG 4.5Å; Y822-L826 HydrophobicContact CE1-CD1 3.51Å; Y822-L826 HydrophobicContact CE1-CG 4.31Å; Y822-L826 HydrophobicContact CE2-CD1 4.16Å; Y822-L826 HydrophobicContact CE2-CD2 4.34Å; Y822-L826 HydrophobicContact CE2-CG 4.09Å; Y822-L826 PolarHBondContact O-N 3.14Å
823	K	85.6	Confident	77.4	Confident	101 Å²	101	86.5 Å²	86.5	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-62.7	-32.8	176.2	-173.8	175.2	-177.3	176.2	0	112.8	Y819 I821 R827	Y819-K823 VanDerWaalsContact O-CB 3.25Å; Y819-K823 WeakPolarHBondContact O-CB 3.41Å; Y819-K823 PolarHBondContact O-N 3.11Å; I821-K823 PolarHBondContact O-N 2.71Å; K823-R827 WeakPolarHBondContact O-CG 3.21Å; K823-R827 PolarHBondContact O-N 2.85Å
824	S	83.7	Confident	75.7	Confident	41 Å²	41	78 Å²	78	29%	0.287	36%	0.364	S	S	.	.	H	α-helix	trans	-71.4	-42.6	174.2	-164.8	0	0	0	0	111.3	R732 K820 I821 Y822 L826 R827 E828	R732-S824 PolarHBondContact NH2-OG 3.39Å; K820-S824 PolarHBondContact O-N 3Å; I821-S824 WeakPolarHBondContact O-CB 3.44Å; I821-S824 PolarHBondContact O-N 3.2Å; I821-S824 VanDerWaalsContact O-N 3.08Å; Y822-S824 VanDerWaalsContact C-N 3.27Å; Y822-S824 PolarHBondContact O-N 2.99Å; S824-L826 PolarHBondContact O-N 2.95Å; S824-R827 PolarHBondContact O-N 2.96Å; S824-R827 VanDerWaalsContact O-N 3.12Å; S824-E828 PolarHBondContact O-N 2.8Å
825	W	80.5	Confident	73.4	Confident	7 Å²	7	90.7 Å²	90.7	3%	0.027	41%	0.41	C	S	.	.	H	α-helix	trans	-61.8	-43.1	178.4	-172.8	43.4	0	0	0	112	F707 L714 I728 M731 L766 I774 I821 Y822 R827 E828 S829	F707-W825 HydrophobicContact CE2-CZ2 4.47Å; L714-W825 HydrophobicContact CD1-CH2 4.3Å; I728-W825 HydrophobicContact CD1-CE3 3.74Å; I728-W825 HydrophobicContact CD1-CZ3 3.9Å; I728-W825 HydrophobicContact CG1-CD2 4.43Å; I728-W825 HydrophobicContact CG1-CE3 3.96Å; I728-W825 HydrophobicContact CG1-CH2 4.42Å; I728-W825 HydrophobicContact CG1-CZ3 3.96Å; I728-W825 HydrophobicContact CG2-CB 3.83Å; I728-W825 HydrophobicContact CG2-CD2 3.71Å; I728-W825 HydrophobicContact CG2-CE3 3.98Å; I728-W825 HydrophobicContact CG2-CG 3.68Å; M731-W825 HydrophobicContact CE-CH2 3.57Å; M731-W825 HydrophobicContact CE-CZ2 3.43Å; M731-W825 VanDerWaalsContact CE-CZ2 3.43Å; M731-W825 HydrophobicContact CE-CZ3 4.46Å; M731-W825 HydrophobicContact SD-CZ2 4.31Å; L766-W825 HydrophobicContact CD2-CD2 4.09Å; L766-W825 HydrophobicContact CD2-CE3 3.95Å; L766-W825 HydrophobicContact CD2-CH2 3.13Å; L766-W825 HydrophobicContact CD2-CZ2 3.23Å; L766-W825 HydrophobicContact CD2-CZ3 3.5Å; L766-W825 HydrophobicContact CG-CH2 4.38Å; L766-W825 HydrophobicContact CG-CZ2 4.06Å; I774-W825 HydrophobicContact CD1-CZ3 4.44Å; I821-W825 PolarHBondContact O-N 3.49Å; Y822-W825 HydrophobicContact CD2-CE3 4Å; Y822-W825 HydrophobicContact CD2-CZ3 4.46Å; Y822-W825 HydrophobicContact CE2-CE3 4.24Å; Y822-W825 HydrophobicContact CE2-CZ3 4.41Å; Y822-W825 WeakPolarHBondContact O-CB 3.09Å; Y822-W825 PolarHBondContact O-N 2.91Å; W825-R827 PolarHBondContact O-N 3.14Å; W825-E828 PolarHBondContact O-N 2.89Å; W825-S829 PolarHBondContact O-N 2.84Å
826	L	78.7	Confident	72.7	Confident	62 Å²	62	94.9 Å²	94.9	33%	0.325	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-23.8	174.5	-75.2	177.1	0	0	0	114.4	L766 I771 Y822 S824	L766-L826 HydrophobicContact CD1-CD2 4.4Å; I771-L826 HydrophobicContact CD1-CD2 4.07Å; I771-L826 HydrophobicContact CG1-CD2 4.35Å; I771-L826 HydrophobicContact CG2-CD2 4.33Å; Y822-L826 HydrophobicContact CD1-CD1 4.03Å; Y822-L826 HydrophobicContact CD2-CG 4.5Å; Y822-L826 HydrophobicContact CE1-CD1 3.51Å; Y822-L826 HydrophobicContact CE1-CG 4.31Å; Y822-L826 HydrophobicContact CE2-CD1 4.16Å; Y822-L826 HydrophobicContact CE2-CD2 4.34Å; Y822-L826 HydrophobicContact CE2-CG 4.09Å; Y822-L826 PolarHBondContact O-N 3.14Å; S824-L826 PolarHBondContact O-N 2.95Å
827	R	76.2	Confident	71.9	Confident	191 Å²	191	91.8 Å²	91.8	72%	0.721	42%	0.42	S	S	*	.	H	α-helix	trans	-81.2	-26.9	177.8	-74.5	173.3	-179.3	-168.7	-4.4	112.6	K823 S824 W825	K823-R827 WeakPolarHBondContact O-CG 3.21Å; K823-R827 PolarHBondContact O-N 2.85Å; S824-R827 PolarHBondContact O-N 2.96Å; S824-R827 VanDerWaalsContact O-N 3.12Å; W825-R827 PolarHBondContact O-N 3.14Å
828	E	69.1	Low	71	Confident	85 Å²	85	87.6 Å²	87.6	40%	0.397	41%	0.408	S	S	.	.	H	α-helix	trans	-85.8	-24.3	-176.2	-72.6	169	-176.3	0	0	112.4	R732 F761 S824 W825	R732-E828 IonicContact CZ-OE1 2.75Å; R732-E828 IonicContact CZ-OE2 3.82Å; R732-E828 VanDerWaalsContact CZ-OE2 3.29Å; R732-E828 IonicContact NE-OE2 2.86Å; R732-E828 PolarHBondContact NE-OE2 3.14Å; R732-E828 IonicContact NH2-OE1 3.65Å; R732-E828 PolarHBondContact NH2-OE1 3.41Å; R732-E828 IonicContact NH2-OE2 2.68Å; R732-E828 PolarHBondContact NH2-OE2 3.06Å; F761-E828 HydrophobicContact CE2-CB 3.93Å; F761-E828 HydrophobicContact CE2-CG 4.43Å; F761-E828 WeakPolarHBondContact CE2-OE2 3.46Å; F761-E828 HydrophobicContact CZ-CB 3.89Å; S824-E828 PolarHBondContact O-N 2.8Å; W825-E828 PolarHBondContact O-N 2.89Å
829	S	61.2	Low	69.8	Low	15 Å²	15	92.8 Å²	92.8	11%	0.105	43%	0.432	C	S	.	.	S	Bend	trans	-103.5	126.1	-179.4	-67	0	0	0	0	112.1	W825 V831	W825-S829 PolarHBondContact O-N 2.84Å; S829-V831 PolarHBondContact O-N 3.47Å
830	P	55.2	Low	68.6	Low	131 Å²	131	93.6 Å²	93.6	85%	0.851	44%	0.44	S	S	*	.			trans	-75.8	93.1	174.3	30.8	-32	0	0	0	109.5
831	V	57	Low	67.3	Low	43 Å²	43	88.7 Å²	88.7	26%	0.261	42%	0.421	S	S	.	.			trans	-123.4	134.3	168.9	179.7	0	0	0	0	109.8	L766 I771 S829 K833	L766-V831 HydrophobicContact CB-CG2 3.38Å; L766-V831 HydrophobicContact CD1-CG2 4.02Å; L766-V831 HydrophobicContact CG-CG2 4.34Å; I771-V831 HydrophobicContact CD1-CB 4.25Å; I771-V831 HydrophobicContact CD1-CG1 3.92Å; S829-V831 PolarHBondContact O-N 3.47Å; V831-K833 PolarHBondContact O-N 3Å
832	D	52.5	Low	65.9	Low	145 Å²	145	93.7 Å²	93.7	78%	0.775	44%	0.444	S	S	*	.			trans	-56.4	109.2	166.6	-77.9	-30.9	0	0	0	108.2
833	K	50.6	Low	64.4	Low	184 Å²	184	100.7 Å²	100.7	80%	0.8	48%	0.477	S	S	*	.			trans	-54.9	132.4	179.8	-69.3	179	-179	173.4	0	108.8	V831 R835	V831-K833 PolarHBondContact O-N 3Å; K833-R835 PolarHBondContact O-N 3.16Å
834	P	48.4	Very low	62.6	Low	27 Å²	27	100.7 Å²	100.7	18%	0.175	48%	0.481	C	S	.	.			trans	-55.3	137.6	170	23.2	-30.7	0	0	0	109	R768 I771	R768-P834 HydrophobicContact CG-CB 4.43Å; I771-P834 HydrophobicContact CG2-CG 4.13Å
835	R	37.9	Very low	60.7	Low	277 Å²	277	106.1 Å²	106.1	100%	1.045	50%	0.498	S	S	*	.			trans	-62.6	0	178.9	-84.6	-173.9	175.8	-179.4	0.9	112.7	K833	K833-R835 PolarHBondContact O-N 3.16Å

Retrieved 835 of 835 residues in 919.9 ms (Link to these results)

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