A0A077ZAP6_TRITR Loading...

SWI:SNF matrix associated

AlphaFold DB , UniProt , Accession A0A077ZAP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,069 aa.

						>A0A077ZAP6_TRITR|A0A077ZAP6
MNEPVDMPVKQEEPHDNTTADNEVDALPEPVKTALECMSDGDDDEELLDYKEKKGPGRPPTKKEVEEQDPQFLEDQAKRFEFLLKKTELFSHFVSSGHSVREGKMPVSPLKLKGLKSEKALPKVSSVGDHRHRKTEKEEDEELLMEERHIKNGEMRDYQIRGLNWMISLFENGINGILADEMVASGLGKTLQTISLIGYMKHYRSHMSSPHLVICPKSTLRNWVNEFNRWCPSIRTVALIGSQEERRKLIDEIILPSQWDVCVTSYEMAIREKSVFKKYHWKYVIIDEAHRIKNEKSKLSEIVREFRSSNRLLLTGTPLQNNLHELWALLNFLLPDVFNSADDFDAWFNINSCFGDNSLVERLHMVSRRFFAPTVTNAIDLQVLKPFLLRRLKSEVEKALPPKKELKIYIAARPYRRYTKVLMKDIDVVNGAGKLEKARLLNILMQLRKCCNHPYLFDGVEPGPPYTTDQHLVDNCGKMVLLDKLLPKLQSQGAAWISKIFLLEKKSVLPFAGSRVLIFSQMSRMLDILEDYALWKQYNYCRLDGSTPHEERQASIDAFNHPDSEKFLFMLTTRAGGLGINLATADVVILYDSDWNPQMDLQAMDRAHRIGQKKTVRVFRFITENTVEERIVERAEIKLRLDTVVIQQGRLAEAQKSLGKGEMLTMIRHGADHVFAGKESAITDEDIDGILARSEEKTEALKKRLEELGESSLRNFALDTNEGTSVYQFEGEDYRSKQRKQIGYWIEPPKRERKANYQVDAYFRDALRPHVEPKAPKAPKPPRQPPIHDFHFYPPRLMRLYEMEVYYYRKTIGYKAPKLLDLPPDEAEKKQKEEQRKIDEARPLNEQELAEKECLLSKGFSNWSRRDFQQFVKANEKYGRTDMTNISKEVDGKTPEEVQSYSMTFWARVHELNDAERILGQIERGEMRIQKRQSVKRALDAKMSKYKAPFHQLRVQYGTNKGKNYIEEEDRFLVCMLHQIGFDKENVYEELRQAVRVAPQFRFDWFIKSRTAMELQRRCNTLISLIEKEMDDAEEREKAGRGRGKSKGKQGKRKNDDSSGRGRGKRIRV
					

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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	33.5	Very low	38.7	Very low	241 Å²	241	163.5 Å²	163.5	100%	1.187	86%	0.864	S	S	*	*				0	120.2	0	-66.9	-173.3	-164.4	0	0	106.4
2	N	41.8	Very low	38.1	Very low	152 Å²	152	164.8 Å²	164.8	81%	0.813	86%	0.861	S	S	*	*			trans	8.9	131.8	168.4	-56.5	3.4	0	0	0	117.2
3	E	40.2	Very low	37.7	Very low	179 Å²	179	166.6 Å²	166.6	84%	0.836	86%	0.863	S	S	*	*			cis	-163.4	164.6	15.2	-112.8	170.5	170.9	0	0	107.2
4	P	44.1	Very low	37.4	Very low	123 Å²	123	163.5 Å²	163.5	80%	0.799	86%	0.858	S	S	*	*			trans	-101.8	171.2	-153.2	38.7	-34.1	0	0	0	116.4
5	V	37.4	Very low	37.1	Very low	135 Å²	135	165.5 Å²	165.5	82%	0.818	86%	0.861	S	S	*	*			trans	-66.3	136	172.3	176.4	0	0	0	0	111.5
6	D	44.2	Very low	36.8	Very low	163 Å²	163	164.6 Å²	164.6	87%	0.872	86%	0.857	S	S	*	*			trans	-133.1	121.3	168	-125.7	-13.4	0	0	0	111.2
7	M	34	Very low	36.4	Very low	157 Å²	157	163.8 Å²	163.8	77%	0.773	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-95.2	141.3	168.1	-75.4	-163.1	-58.5	0	0	109
8	P	48.8	Very low	36.3	Very low	132 Å²	132	161.3 Å²	161.3	86%	0.857	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-84.1	128	163.1	29.7	-23.2	0	0	0	110.8
9	V	37.8	Very low	36.2	Very low	137 Å²	137	158.8 Å²	158.8	83%	0.83	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-73	144.1	-178.6	169.1	0	0	0	0	111.6
10	K	30.5	Very low	36	Very low	179 Å²	179	156.3 Å²	156.3	78%	0.778	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-55.8	137.7	170.7	-70	173.9	171	-178	0	112.4
11	Q	33.7	Very low	35.8	Very low	200 Å²	200	155.1 Å²	155.1	94%	0.935	84%	0.836	S	S	*	*			trans	-110.7	120.4	150.9	-79.5	-179.7	-17.6	0	0	108
12	E	31.8	Very low	35.9	Very low	179 Å²	179	151.3 Å²	151.3	84%	0.836	82%	0.82	S	S	*	*			trans	-83.4	129.2	171.7	-68.8	175	156.6	0	0	108.6
13	E	32.5	Very low	35.8	Very low	189 Å²	189	153 Å²	153	88%	0.883	82%	0.824	S	S	*	*			trans	-115.9	145.4	154.7	-82.8	-166	168.5	0	0	108.9
14	P	33.7	Very low	35.8	Very low	123 Å²	123	149.4 Å²	149.4	80%	0.799	81%	0.813	S	S	*	*			trans	-86	148.9	-158.5	33.2	-30.4	0	0	0	113	D16	P14-D16 PolarHBondContact O-N 3.34Å
15	H	31.9	Very low	35.7	Very low	193 Å²	193	150.4 Å²	150.4	89%	0.894	81%	0.812	S	S	*	*			trans	-56.4	127.9	165.6	-88	-81.5	0	0	0	111.5
16	D	32.5	Very low	36.1	Very low	151 Å²	151	148.7 Å²	148.7	81%	0.807	81%	0.812	S	S	*	*			trans	-132.4	135.1	155.3	-140.4	-9.9	0	0	0	111.1	P14	P14-D16 PolarHBondContact O-N 3.34Å
17	N	30.7	Very low	35.9	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	79%	0.792	S	S	*	*			trans	-96.4	105.4	-174.5	-103.3	-26	0	0	0	108.8
18	T	35.2	Very low	36.5	Very low	120 Å²	120	141.8 Å²	141.8	74%	0.736	78%	0.783	S	S	*	*			trans	-144.3	108.6	168.2	28.4	0	0	0	0	111.8
19	T	33.1	Very low	36.3	Very low	113 Å²	113	142.3 Å²	142.3	69%	0.693	77%	0.773	S	S	*	*			trans	34.5	103.4	139.4	49.1	0	0	0	0	118.4	D21	T19-D21 PolarHBondContact O-N 3.17Å
20	A	31.9	Very low	36.5	Very low	108 Å²	108	140.7 Å²	140.7	89%	0.893	77%	0.766	S	S	*	*			trans	-83.1	78.6	163.2	0	0	0	0	0	110.3
21	D	32.6	Very low	37.1	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	75%	0.747	S	S	*	*			trans	-121.4	100.3	159.6	-75.4	-42.7	0	0	0	105.7	T19	T19-D21 PolarHBondContact O-N 3.17Å
22	N	36.4	Very low	37.6	Very low	161 Å²	161	128.1 Å²	128.1	86%	0.861	71%	0.713	S	S	*	*			trans	172.6	69.4	161.2	-87.3	-24.5	0	0	0	111.4
23	E	38.4	Very low	38	Very low	189 Å²	189	123.1 Å²	123.1	88%	0.883	70%	0.695	S	S	*	*			trans	-136.5	42.6	161.8	-78.6	-164.8	157.6	0	0	110.8
24	V	39.8	Very low	38.3	Very low	102 Å²	102	117.1 Å²	117.1	62%	0.618	68%	0.678	S	S	*	*			trans	-102.8	-2.7	-176.3	-164.9	0	0	0	0	112.8
25	D	42.5	Very low	38.5	Very low	145 Å²	145	116.9 Å²	116.9	78%	0.775	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	2.6	-173.1	-99.3	-27.2	0	0	0	117	K32	D25-K32 IonicContact OD1-NZ 2.89Å; D25-K32 PolarHBondContact OD1-NZ 2.93Å
26	A	45.2	Very low	38.8	Very low	98 Å²	98	113.9 Å²	113.9	81%	0.81	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	9.6	-178.3	0	0	0	0	0	115.1
27	L	39.8	Very low	39	Very low	88 Å²	88	111.7 Å²	111.7	46%	0.461	65%	0.651	S	S	.	*	S	Bend	trans	-96.6	142.9	-175	-70.5	169.5	0	0	0	113.2	E29 V31	L27-E29 PolarHBondContact O-N 2.75Å; L27-V31 HydrophobicContact CD1-CG1 4.29Å
28	P	48	Very low	39.3	Very low	88 Å²	88	111.5 Å²	111.5	57%	0.571	65%	0.647	S	S	*	*			trans	-59.2	135.6	176.6	-15.5	25.8	0	0	0	112	P30 V31	P28-P30 VanDerWaalsContact C-N 3.32Å; P28-P30 VanDerWaalsContact O-CD 3.23Å; P28-P30 WeakPolarHBondContact O-CD 3.48Å; P28-V31 WeakPolarHBondContact O-CB 3.46Å; P28-V31 PolarHBondContact O-N 2.88Å
29	E	43.2	Very low	39.2	Very low	142 Å²	142	109.9 Å²	109.9	66%	0.664	64%	0.641	S	S	*	*	H	α-helix	trans	-34.7	-42	178.7	-80.8	-90.4	141.8	0	0	117.2	L27 V31 K32 T33	L27-E29 PolarHBondContact O-N 2.75Å; E29-V31 PolarHBondContact O-N 3.46Å; E29-V31 VanDerWaalsContact O-N 3.11Å; E29-K32 PolarHBondContact O-N 3.32Å; E29-K32 VanDerWaalsContact O-N 3.11Å; E29-T33 PolarHBondContact O-N 2.74Å; E29-T33 PolarHBondContact O-OG1 3Å; E29-T33 VanDerWaalsContact O-OG1 3.11Å
30	P	42.3	Very low	39.2	Very low	103 Å²	103	112.8 Å²	112.8	67%	0.669	65%	0.652	S	S	*	*	H	α-helix	trans	-63.2	-20	178.4	-17.7	28.7	0	0	0	114.6	P28	P28-P30 VanDerWaalsContact C-N 3.32Å; P28-P30 VanDerWaalsContact O-CD 3.23Å; P28-P30 WeakPolarHBondContact O-CD 3.48Å
31	V	44.5	Very low	39.3	Very low	65 Å²	65	111.3 Å²	111.3	39%	0.394	65%	0.648	S	S	.	*	H	α-helix	trans	-87.9	-30.9	177.9	-177.4	0	0	0	0	110.9	L27 P28 E29 L35	L27-V31 HydrophobicContact CD1-CG1 4.29Å; P28-V31 WeakPolarHBondContact O-CB 3.46Å; P28-V31 PolarHBondContact O-N 2.88Å; E29-V31 PolarHBondContact O-N 3.46Å; E29-V31 VanDerWaalsContact O-N 3.11Å; V31-L35 HydrophobicContact CG1-CD1 4.17Å; V31-L35 PolarHBondContact O-N 3.49Å
32	K	43	Very low	39.3	Very low	50 Å²	50	112.4 Å²	112.4	22%	0.217	65%	0.654	C	S	.	*	H	α-helix	trans	-67.6	-45.4	174	-73.2	-171.4	170.1	-167.6	0	111.2	D25 E29 A34 L35 E36	D25-K32 IonicContact OD1-NZ 2.89Å; D25-K32 PolarHBondContact OD1-NZ 2.93Å; E29-K32 PolarHBondContact O-N 3.32Å; E29-K32 VanDerWaalsContact O-N 3.11Å; K32-A34 VanDerWaalsContact C-N 3.29Å; K32-A34 PolarHBondContact O-N 3.49Å; K32-L35 PolarHBondContact O-N 2.89Å; K32-L35 VanDerWaalsContact O-N 3.09Å; K32-E36 WeakPolarHBondContact O-CB 3.47Å; K32-E36 WeakPolarHBondContact O-CG 3.35Å; K32-E36 PolarHBondContact O-N 3.44Å
33	T	41	Very low	39.3	Very low	74 Å²	74	111.8 Å²	111.8	45%	0.454	65%	0.65	S	S	.	*	H	α-helix	trans	-65.7	-28.1	178.8	-35	0	0	0	0	113.4	E29 C37	E29-T33 PolarHBondContact O-N 2.74Å; E29-T33 PolarHBondContact O-OG1 3Å; E29-T33 VanDerWaalsContact O-OG1 3.11Å; T33-C37 PolarHBondContact O-N 3.08Å; T33-C37 PolarHBondContact O-SG 2.95Å
34	A	38.6	Very low	39.1	Very low	64 Å²	64	110.3 Å²	110.3	53%	0.529	65%	0.649	S	S	.	*	H	α-helix	trans	-78.7	-20.7	176.4	0	0	0	0	0	113.5	K32	K32-A34 VanDerWaalsContact C-N 3.29Å; K32-A34 PolarHBondContact O-N 3.49Å
35	L	38.2	Very low	38.7	Very low	117 Å²	117	114.8 Å²	114.8	61%	0.613	66%	0.662	S	S	*	*	H	α-helix	trans	-92.7	-29.9	176.6	-90.9	150.5	0	0	0	112	V31 K32	V31-L35 HydrophobicContact CG1-CD1 4.17Å; V31-L35 PolarHBondContact O-N 3.49Å; K32-L35 PolarHBondContact O-N 2.89Å; K32-L35 VanDerWaalsContact O-N 3.09Å
36	E	38.7	Very low	38.3	Very low	130 Å²	130	116.4 Å²	116.4	61%	0.607	67%	0.665	S	S	*	*	H	α-helix	trans	-78	-21.1	178.1	-73.8	168	176.6	0	0	113.6	K32 M38	K32-E36 WeakPolarHBondContact O-CB 3.47Å; K32-E36 WeakPolarHBondContact O-CG 3.35Å; K32-E36 PolarHBondContact O-N 3.44Å; E36-M38 VanDerWaalsContact C-N 3.28Å; E36-M38 PolarHBondContact O-N 3.09Å
37	C	36.6	Very low	37.7	Very low	106 Å²	106	118.4 Å²	118.4	72%	0.716	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	13.3	175.2	-63.7	0	0	0	0	114.6	T33	T33-C37 PolarHBondContact O-N 3.08Å; T33-C37 PolarHBondContact O-SG 2.95Å
38	M	37.1	Very low	37.4	Very low	147 Å²	147	121.8 Å²	121.8	72%	0.724	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	14.7	-176.7	-66.9	-167	69.6	0	0	114.4	E36	E36-M38 VanDerWaalsContact C-N 3.28Å; E36-M38 PolarHBondContact O-N 3.09Å
39	S	31.6	Very low	36.6	Very low	86 Å²	86	124.1 Å²	124.1	60%	0.601	69%	0.687	S	S	*	*			trans	-136.5	76.8	180	59.1	0	0	0	0	111.5
40	D	33.7	Very low	36.1	Very low	173 Å²	173	128.9 Å²	128.9	93%	0.925	70%	0.701	S	S	*	*			trans	-144.5	116.6	161.2	-82.9	-37	0	0	0	107.2
41	G	33.3	Very low	35.5	Very low	78 Å²	78	133 Å²	133	80%	0.804	71%	0.708	S	S	*	*			trans	150.2	63.8	-178.4	0	0	0	0	0	112.3
42	D	32.8	Very low	34.9	Very low	155 Å²	155	137 Å²	137	83%	0.829	72%	0.723	S	S	*	*			trans	-59.9	134.6	159.4	-71.1	-46	0	0	0	109.4
43	D	36.2	Very low	34.4	Very low	147 Å²	147	143 Å²	143	79%	0.786	75%	0.748	S	S	*	*			trans	177.2	129.9	131.4	-82.7	-24.3	0	0	0	110.7
44	D	35.2	Very low	34	Very low	159 Å²	159	149.7 Å²	149.7	85%	0.85	77%	0.771	S	S	*	*			trans	90.4	97.9	154.5	-56.3	-26.2	0	0	0	121.5
45	E	32.1	Very low	33.8	Very low	195 Å²	195	149.5 Å²	149.5	91%	0.911	78%	0.776	S	S	*	*			trans	-49.1	132.7	154	-60.3	179.1	135.7	0	0	113.2
46	E	33.9	Very low	33.7	Very low	179 Å²	179	150.3 Å²	150.3	84%	0.836	79%	0.788	S	S	*	*				-173.2	135.3	127.6	-111.3	-176.9	175.8	0	0	112.6
47	L	32.8	Very low	33.4	Very low	140 Å²	140	147.8 Å²	147.8	73%	0.733	80%	0.797	S	S	*	*			trans	83.7	77.9	154.5	-77.6	143.8	0	0	0	120.9
48	L	33.4	Very low	33.2	Very low	159 Å²	159	152.4 Å²	152.4	83%	0.832	80%	0.799	S	S	*	*				51.8	114.7	111.2	-65.6	169.7	0	0	0	121.3
49	D	30.6	Very low	33.1	Very low	138 Å²	138	150.3 Å²	150.3	74%	0.738	80%	0.797	S	S	*	*				82.8	98.2	125.8	-151	18.3	0	0	0	119.4
50	Y	33	Very low	33.2	Very low	242 Å²	242	150.7 Å²	150.7	95%	0.949	80%	0.797	S	S	*	*			trans	-165.1	88.4	142.8	-95.9	-73.4	0	0	0	110.2
51	K	29.3	Very low	33.4	Very low	190 Å²	190	144.7 Å²	144.7	83%	0.826	77%	0.767	S	S	*	*			trans	-91.6	121.4	156.4	-92.6	-177	176	177	0	108.4
52	E	32.5	Very low	33.5	Very low	148 Å²	148	148 Å²	148	69%	0.692	76%	0.759	S	S	*	*				164.7	139.7	123	-93.6	-164.5	161.2	0	0	114.4
53	K	31.4	Very low	33.8	Very low	175 Å²	175	146.1 Å²	146.1	76%	0.761	74%	0.744	S	S	*	*			trans	77.1	83.6	152.9	-68.8	162.9	177.8	141.4	0	118.7
54	K	33.4	Very low	33.9	Very low	215 Å²	215	145 Å²	145	94%	0.935	73%	0.734	S	S	*	*			trans	-105.8	102.7	144.8	-80.8	-169.1	175.8	-176.6	0	109.9
55	G	33.3	Very low	34.2	Very low	60 Å²	60	140.9 Å²	140.9	62%	0.619	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-75.9	166.1	150.2	0	0	0	0	0	110
56	P	36.5	Very low	34.5	Very low	135 Å²	135	139.1 Å²	139.1	88%	0.877	71%	0.706	S	S	*	*	S	Bend	trans	-61.3	137.9	-171.2	25.6	-32.8	0	0	0	111.4	R58	P56-R58 PolarHBondContact O-N 2.89Å
57	G	32.2	Very low	34.9	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-52.9	125.5	-174.2	0	0	0	0	0	112.7
58	R	33.1	Very low	35.4	Very low	202 Å²	202	134.9 Å²	134.9	76%	0.762	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-57.6	134	169.1	-171.4	-173	-175.6	-159.3	2.8	109	P56 T61	P56-R58 PolarHBondContact O-N 2.89Å; R58-T61 VanDerWaalsContact CZ-CG2 3.45Å
59	P	35.1	Very low	36.4	Very low	103 Å²	103	132.1 Å²	132.1	67%	0.669	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-60.9	144.5	170.4	25.4	-31.5	0	0	0	109.5	T61	P59-T61 PolarHBondContact O-N 2.74Å
60	P	33.7	Very low	37.3	Very low	94 Å²	94	130.4 Å²	130.4	61%	0.61	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-56.5	139.7	-176.1	21.9	-31.6	0	0	0	110.7	E64	P60-E64 HydrophobicContact CB-CB 4.43Å
61	T	37.9	Very low	38.7	Very low	48 Å²	48	122.6 Å²	122.6	29%	0.294	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-73.7	150.1	176.5	51.2	0	0	0	0	109.9	R58 P59 K63 E64	R58-T61 VanDerWaalsContact CZ-CG2 3.45Å; P59-T61 PolarHBondContact O-N 2.74Å; T61-K63 PolarHBondContact O-N 3.24Å; T61-E64 PolarHBondContact N-OE2 3.31Å; T61-E64 PolarHBondContact O-N 2.94Å; T61-E64 PolarHBondContact OG1-OE2 3.41Å
62	K	36	Very low	40.2	Very low	147 Å²	147	117.1 Å²	117.1	64%	0.639	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.1	-26.6	-178.6	-80	-173.3	170.2	-167.2	0	114.9
63	K	38.9	Very low	41.6	Very low	115 Å²	115	114 Å²	114	50%	0.5	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	-25.7	178	-73.2	-174	173.6	-176.9	0	114.5	T61 V65 E66 G892	T61-K63 PolarHBondContact O-N 3.24Å; K63-V65 VanDerWaalsContact C-N 3.29Å; K63-E66 PolarHBondContact O-N 3.47Å; K63-G892 VanDerWaalsContact NZ-C 3.35Å; K63-G892 PolarHBondContact NZ-O 3.07Å
64	E	38.3	Very low	43.3	Very low	125 Å²	125	110.6 Å²	110.6	58%	0.584	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-14.8	176.8	-70.3	166.2	140.6	0	0	112.6	P60 T61	P60-E64 HydrophobicContact CB-CB 4.43Å; T61-E64 PolarHBondContact N-OE2 3.31Å; T61-E64 PolarHBondContact O-N 2.94Å; T61-E64 PolarHBondContact OG1-OE2 3.41Å
65	V	40.4	Very low	44.9	Very low	72 Å²	72	102.8 Å²	102.8	44%	0.436	56%	0.556	S	S	.	*	S	Bend	trans	-84.3	-21.7	175.1	-176.9	0	0	0	0	111.3	K63 Q68	K63-V65 VanDerWaalsContact C-N 3.29Å; V65-Q68 WeakPolarHBondContact O-CG 3.49Å
66	E	38	Very low	46.5	Very low	157 Å²	157	102.2 Å²	102.2	73%	0.734	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.1	-174.2	-73.6	175.4	168.9	0	0	114.3	K63	K63-E66 PolarHBondContact O-N 3.47Å
67	E	43.5	Very low	48	Very low	163 Å²	163	98.5 Å²	98.5	76%	0.762	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	14.9	172.9	-77.9	-170.2	159	0	0	114	D69	E67-D69 PolarHBondContact O-N 3.47Å
68	Q	42.5	Very low	49.9	Very low	68 Å²	68	98.8 Å²	98.8	32%	0.318	50%	0.497	S	S	.	.	S	Bend	trans	-65.3	132.1	176.3	-70.6	-179.4	1.5	0	0	110.8	V65 F72 L73	V65-Q68 WeakPolarHBondContact O-CG 3.49Å; Q68-F72 HydrophobicContact CB-CD1 4.29Å; Q68-F72 HydrophobicContact CG-CD1 4.49Å; Q68-L73 HydrophobicContact CB-CG 4.3Å
69	D	54	Low	51.6	Low	100 Å²	100	90.4 Å²	90.4	54%	0.535	47%	0.466	S	S	.	.			trans	-43.5	121.7	176.1	-168.6	-8.8	0	0	0	109.6	E67 Q71 F72 L73	E67-D69 PolarHBondContact O-N 3.47Å; D69-Q71 PolarHBondContact O-N 2.98Å; D69-F72 HydrophobicContact CB-CB 4.2Å; D69-F72 WeakPolarHBondContact O-CA 3.13Å; D69-F72 VanDerWaalsContact O-CB 3.24Å; D69-F72 WeakPolarHBondContact O-CB 3.48Å; D69-F72 PolarHBondContact O-N 3.48Å; D69-L73 PolarHBondContact O-N 2.94Å
70	P	50.3	Low	53.2	Low	102 Å²	102	88.1 Å²	88.1	66%	0.662	45%	0.446	S	S	*	.	H	α-helix	trans	-54.7	-26.8	-175.2	16.9	-30.4	0	0	0	113	E74	P70-E74 PolarHBondContact O-N 2.92Å; P70-E74 VanDerWaalsContact O-N 3.16Å
71	Q	62.8	Low	55	Low	78 Å²	78	88.8 Å²	88.8	36%	0.364	44%	0.44	S	S	.	.	H	α-helix	trans	-68.3	-35	173.6	-165.1	164.4	23.4	0	0	112.8	D69 E74 D75	D69-Q71 PolarHBondContact O-N 2.98Å; Q71-E74 PolarHBondContact O-N 3.33Å; Q71-D75 WeakPolarHBondContact O-CB 3.38Å; Q71-D75 PolarHBondContact O-N 3.3Å
72	F	61.6	Low	56.6	Low	76 Å²	76	88 Å²	88	33%	0.333	43%	0.433	S	S	.	.	H	α-helix	trans	-65.6	-42.2	176	-179.6	-97.7	0	0	0	112	Q68 D69 D75 Q76	Q68-F72 HydrophobicContact CB-CD1 4.29Å; Q68-F72 HydrophobicContact CG-CD1 4.49Å; D69-F72 HydrophobicContact CB-CB 4.2Å; D69-F72 WeakPolarHBondContact O-CA 3.13Å; D69-F72 VanDerWaalsContact O-CB 3.24Å; D69-F72 WeakPolarHBondContact O-CB 3.48Å; D69-F72 PolarHBondContact O-N 3.48Å; F72-D75 PolarHBondContact O-N 3.48Å; F72-Q76 VanDerWaalsContact O-CB 3.27Å; F72-Q76 WeakPolarHBondContact O-CB 3.35Å; F72-Q76 PolarHBondContact O-N 3.11Å
73	L	60.5	Low	58.1	Low	81 Å²	81	81.2 Å²	81.2	42%	0.424	40%	0.403	S	S	.	.	H	α-helix	trans	-66.8	-39.1	176.4	-69.9	172.2	0	0	0	111.9	Q68 D69 Q76 A77	Q68-L73 HydrophobicContact CB-CG 4.3Å; D69-L73 PolarHBondContact O-N 2.94Å; L73-Q76 PolarHBondContact O-N 3.25Å; L73-A77 WeakPolarHBondContact O-CB 3.43Å; L73-A77 PolarHBondContact O-N 3.27Å
74	E	67.7	Low	59.4	Low	105 Å²	105	79.5 Å²	79.5	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-44.5	175.9	-166.2	-173.8	155.1	0	0	111.7	P70 Q71 Q76 A77 K78	P70-E74 PolarHBondContact O-N 2.92Å; P70-E74 VanDerWaalsContact O-N 3.16Å; Q71-E74 PolarHBondContact O-N 3.33Å; E74-Q76 VanDerWaalsContact C-N 3.31Å; E74-Q76 PolarHBondContact O-N 3.24Å; E74-A77 PolarHBondContact O-N 2.94Å; E74-K78 WeakPolarHBondContact O-CG 3.31Å; E74-K78 PolarHBondContact O-N 3.49Å; E74-K78 VanDerWaalsContact OE1-CE 3.25Å; E74-K78 WeakPolarHBondContact OE1-CE 3.43Å; E74-K78 IonicContact OE1-NZ 2.68Å; E74-K78 PolarHBondContact OE1-NZ 3.48Å
75	D	67.3	Low	60.8	Low	51 Å²	51	80.9 Å²	80.9	27%	0.273	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-37.7	176.5	-71.7	-13.5	0	0	0	111.2	Q71 F72 K78 R79	Q71-D75 WeakPolarHBondContact O-CB 3.38Å; Q71-D75 PolarHBondContact O-N 3.3Å; F72-D75 PolarHBondContact O-N 3.48Å; D75-K78 PolarHBondContact O-N 3.03Å; D75-R79 VanDerWaalsContact O-CB 3.27Å; D75-R79 WeakPolarHBondContact O-CB 3.24Å; D75-R79 PolarHBondContact O-N 3.36Å
76	Q	66.7	Low	61.9	Low	47 Å²	47	83.9 Å²	83.9	22%	0.22	41%	0.411	C	S	.	.	H	α-helix	trans	-63.7	-43.3	174.6	-166.9	-176.4	53.1	0	0	111.4	F72 L73 E74 R79 F80 D336	F72-Q76 VanDerWaalsContact O-CB 3.27Å; F72-Q76 WeakPolarHBondContact O-CB 3.35Å; F72-Q76 PolarHBondContact O-N 3.11Å; L73-Q76 PolarHBondContact O-N 3.25Å; E74-Q76 VanDerWaalsContact C-N 3.31Å; E74-Q76 PolarHBondContact O-N 3.24Å; Q76-R79 WeakPolarHBondContact O-CB 3.37Å; Q76-R79 PolarHBondContact O-N 3.5Å; Q76-F80 HydrophobicContact CG-CD2 3.88Å; Q76-F80 HydrophobicContact CG-CE2 3.54Å; Q76-F80 WeakPolarHBondContact O-CD2 3.42Å; Q76-F80 PolarHBondContact O-N 3.09Å; Q76-D336 PolarHBondContact NE2-OD2 3.3Å; Q76-D336 VanDerWaalsContact NE2-OD2 3.08Å
77	A	67.3	Low	62.9	Low	57 Å²	57	77.4 Å²	77.4	47%	0.471	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-44.2	176.3	0	0	0	0	0	112.4	L73 E74 R79 F80 E81	L73-A77 WeakPolarHBondContact O-CB 3.43Å; L73-A77 PolarHBondContact O-N 3.27Å; E74-A77 PolarHBondContact O-N 2.94Å; A77-R79 PolarHBondContact O-N 3.33Å; A77-F80 PolarHBondContact O-N 3.46Å; A77-E81 PolarHBondContact O-N 2.87Å
78	K	72.2	Confident	63.5	Low	84 Å²	84	77.6 Å²	77.6	37%	0.365	38%	0.383	S	S	.	.	H	α-helix	trans	-60.3	-44.5	175.4	-74.4	173.6	-174	159.4	0	111.8	E74 D75 F80 E81 F82	E74-K78 WeakPolarHBondContact O-CG 3.31Å; E74-K78 PolarHBondContact O-N 3.49Å; E74-K78 VanDerWaalsContact OE1-CE 3.25Å; E74-K78 WeakPolarHBondContact OE1-CE 3.43Å; E74-K78 IonicContact OE1-NZ 2.68Å; E74-K78 PolarHBondContact OE1-NZ 3.48Å; D75-K78 PolarHBondContact O-N 3.03Å; K78-F80 PolarHBondContact O-N 2.9Å; K78-E81 PolarHBondContact O-N 3.29Å; K78-F82 PolarHBondContact O-N 3.36Å
79	R	70	Confident	64.1	Low	25 Å²	25	76.5 Å²	76.5	9%	0.094	38%	0.379	C	S	.	.	H	α-helix	trans	-56.1	-50.7	174.8	174.8	-174	-74.7	174.7	2.9	110.6	D75 Q76 A77 F82 L83 N172 G173 I174	D75-R79 VanDerWaalsContact O-CB 3.27Å; D75-R79 WeakPolarHBondContact O-CB 3.24Å; D75-R79 PolarHBondContact O-N 3.36Å; Q76-R79 WeakPolarHBondContact O-CB 3.37Å; Q76-R79 PolarHBondContact O-N 3.5Å; A77-R79 PolarHBondContact O-N 3.33Å; R79-F82 PolarHBondContact O-N 3.47Å; R79-L83 HydrophobicContact CG-CD1 4.23Å; R79-L83 VanDerWaalsContact O-CG 3.27Å; R79-L83 WeakPolarHBondContact O-CG 3.42Å; R79-L83 PolarHBondContact O-N 2.9Å; R79-N172 WeakPolarHBondContact CA-O 3.47Å; R79-G173 PolarHBondContact NE-O 3.49Å; R79-G173 PolarHBondContact NH2-O 3.34Å; R79-I174 HydrophobicContact CB-CG1 4.44Å; R79-I174 HydrophobicContact CG-CG1 3.92Å
80	F	67.8	Low	64.4	Low	56 Å²	56	72 Å²	72	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-62.5	-43	179	-80.6	-61.2	0	0	0	112.9	Q76 A77 K78 F82 L83 L84 V94 V337	Q76-F80 HydrophobicContact CG-CD2 3.88Å; Q76-F80 HydrophobicContact CG-CE2 3.54Å; Q76-F80 WeakPolarHBondContact O-CD2 3.42Å; Q76-F80 PolarHBondContact O-N 3.09Å; A77-F80 PolarHBondContact O-N 3.46Å; K78-F80 PolarHBondContact O-N 2.9Å; F80-F82 VanDerWaalsContact C-N 3.35Å; F80-F82 PolarHBondContact O-N 3.12Å; F80-L83 PolarHBondContact O-N 3.38Å; F80-L84 WeakPolarHBondContact O-CG 3.21Å; F80-L84 PolarHBondContact O-N 2.84Å; F80-V94 HydrophobicContact CD1-CG2 3.97Å; F80-V94 HydrophobicContact CE1-CG2 3.9Å; F80-V337 HydrophobicContact CE1-CG2 3.99Å; F80-V337 HydrophobicContact CZ-CG2 4.42Å
81	E	71.9	Confident	64.8	Low	107 Å²	107	69.8 Å²	69.8	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-42	178.5	-168.1	-172.8	162.2	0	0	111.8	A77 K78 K85	A77-E81 PolarHBondContact O-N 2.87Å; K78-E81 PolarHBondContact O-N 3.29Å; E81-K85 WeakPolarHBondContact O-CG 3.38Å; E81-K85 PolarHBondContact O-N 3.49Å; E81-K85 VanDerWaalsContact O-N 3.11Å; E81-K85 VanDerWaalsContact OE1-CE 3.23Å; E81-K85 WeakPolarHBondContact OE1-CE 3.41Å; E81-K85 IonicContact OE1-NZ 2.63Å; E81-K85 PolarHBondContact OE1-NZ 2.94Å
82	F	71.5	Confident	64.7	Low	33 Å²	33	71.2 Å²	71.2	15%	0.145	35%	0.348	C	S	.	.	H	α-helix	trans	-64.7	-42.7	176.7	-177.8	-85.6	0	0	0	112.2	K78 R79 F80 K85 K86 N172 I174	K78-F82 PolarHBondContact O-N 3.36Å; R79-F82 PolarHBondContact O-N 3.47Å; F80-F82 VanDerWaalsContact C-N 3.35Å; F80-F82 PolarHBondContact O-N 3.12Å; F82-K85 PolarHBondContact O-N 3.12Å; F82-K86 HydrophobicContact CD1-CG 4.26Å; F82-K86 HydrophobicContact CE1-CG 3.92Å; F82-K86 HydrophobicContact CZ-CG 4.18Å; F82-K86 PolarHBondContact O-N 3Å; F82-N172 HydrophobicContact CB-CB 4.22Å; F82-N172 HydrophobicContact CD2-CB 3.91Å; F82-N172 WeakPolarHBondContact CD2-ND2 3.35Å; F82-N172 VanDerWaalsContact CD2-OD1 3.23Å; F82-N172 WeakPolarHBondContact CD2-OD1 3.41Å; F82-N172 HydrophobicContact CE2-CB 4.33Å; F82-N172 WeakPolarHBondContact CE2-ND2 3.41Å; F82-N172 HydrophobicContact CG-CB 3.97Å; F82-I174 HydrophobicContact CB-CD1 3.96Å; F82-I174 HydrophobicContact CD1-CD1 2.98Å; F82-I174 HydrophobicContact CD1-CG1 4.49Å; F82-I174 HydrophobicContact CE1-CD1 3.47Å; F82-I174 VanDerWaalsContact CE1-CD1 3.47Å; F82-I174 HydrophobicContact CG-CD1 3.64Å; F82-I174 HydrophobicContact CZ-CD1 4.48Å
83	L	67.8	Low	64.4	Low	3 Å²	3	69.2 Å²	69.2	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-45.6	178.1	-69.2	178.4	0	0	0	111.8	R79 F80 K85 K86 T87 F90 I174 L334 F387	R79-L83 HydrophobicContact CG-CD1 4.23Å; R79-L83 VanDerWaalsContact O-CG 3.27Å; R79-L83 WeakPolarHBondContact O-CG 3.42Å; R79-L83 PolarHBondContact O-N 2.9Å; F80-L83 PolarHBondContact O-N 3.38Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.05Å; L83-K86 PolarHBondContact O-N 2.67Å; L83-T87 PolarHBondContact O-N 3.32Å; L83-T87 VanDerWaalsContact O-N 3.11Å; L83-F90 HydrophobicContact CB-CB 4.33Å; L83-F90 HydrophobicContact CB-CD2 3.96Å; L83-F90 HydrophobicContact CB-CE2 4.48Å; L83-F90 HydrophobicContact CB-CG 4.01Å; L83-F90 HydrophobicContact CD2-CD2 4.43Å; L83-F90 HydrophobicContact CD2-CE1 4.48Å; L83-F90 HydrophobicContact CD2-CE2 4.12Å; L83-F90 HydrophobicContact CD2-CZ 4.17Å; L83-F90 WeakPolarHBondContact O-CD2 3.47Å; L83-I174 HydrophobicContact CD2-CD1 4.23Å; L83-L334 HydrophobicContact CD1-CD1 4.37Å; L83-F387 HydrophobicContact CD1-CZ 4.41Å; L83-F387 HydrophobicContact CD2-CE1 3.62Å; L83-F387 HydrophobicContact CD2-CE2 4.32Å; L83-F387 HydrophobicContact CD2-CZ 3.27Å; L83-F387 HydrophobicContact CG-CZ 4.47Å
84	L	65.7	Low	64.1	Low	80 Å²	80	68.3 Å²	68.3	42%	0.419	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-35.2	177.9	-71.9	169.4	0	0	0	112.6	F80	F80-L84 WeakPolarHBondContact O-CG 3.21Å; F80-L84 PolarHBondContact O-N 2.84Å
85	K	67.2	Low	63.4	Low	154 Å²	154	67.6 Å²	67.6	67%	0.67	34%	0.343	S	S	*	.	H	α-helix	trans	-68.9	-31.1	176.1	-77.3	175.6	-174.9	166.4	0	113.4	E81 F82 L83	E81-K85 WeakPolarHBondContact O-CG 3.38Å; E81-K85 PolarHBondContact O-N 3.49Å; E81-K85 VanDerWaalsContact O-N 3.11Å; E81-K85 VanDerWaalsContact OE1-CE 3.23Å; E81-K85 WeakPolarHBondContact OE1-CE 3.41Å; E81-K85 IonicContact OE1-NZ 2.63Å; E81-K85 PolarHBondContact OE1-NZ 2.94Å; F82-K85 PolarHBondContact O-N 3.12Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.05Å
86	K	63.4	Low	62.4	Low	134 Å²	134	68.8 Å²	68.8	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-87.3	-30.1	-175.8	-78.8	-90.8	-179.4	168.8	0	112.9	F82 L83 P386	F82-K86 HydrophobicContact CD1-CG 4.26Å; F82-K86 HydrophobicContact CE1-CG 3.92Å; F82-K86 HydrophobicContact CZ-CG 4.18Å; F82-K86 PolarHBondContact O-N 3Å; L83-K86 PolarHBondContact O-N 2.67Å; K86-P386 HydrophobicContact CB-CG 4.47Å
87	T	59.5	Low	61.2	Low	21 Å²	21	68.7 Å²	68.7	13%	0.129	37%	0.368	C	S	.	.			trans	-153	123.8	-176.2	-34.9	0	0	0	0	111.8	L83 L89 F90	L83-T87 PolarHBondContact O-N 3.32Å; L83-T87 VanDerWaalsContact O-N 3.11Å; T87-L89 HydrophobicContact CG2-CB 3.86Å; T87-L89 HydrophobicContact CG2-CD1 3.66Å; T87-L89 HydrophobicContact CG2-CG 4.37Å; T87-L89 PolarHBondContact O-N 3.17Å; T87-L89 VanDerWaalsContact O-N 3.14Å; T87-F90 PolarHBondContact O-N 3.28Å; T87-F90 WeakPolarHBondContact OG1-CE2 3.48Å
88	E	55.1	Low	59.6	Low	168 Å²	168	74 Å²	74	79%	0.785	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.3	174.4	-66.6	-175.7	175.1	0	0	112.2	F90 S91	E88-F90 VanDerWaalsContact C-N 3.31Å; E88-F90 PolarHBondContact O-N 3.12Å; E88-S91 VanDerWaalsContact O-CB 3.3Å; E88-S91 WeakPolarHBondContact O-CB 3.47Å; E88-S91 PolarHBondContact O-N 3Å; E88-S91 VanDerWaalsContact O-N 3.15Å; E88-S91 PolarHBondContact O-OG 3.01Å
89	L	55.1	Low	57.6	Low	44 Å²	44	75.2 Å²	75.2	23%	0.23	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.7	178.4	-84.8	102.1	0	0	0	114.4	T87 S91 H92 W347 V383	T87-L89 HydrophobicContact CG2-CB 3.86Å; T87-L89 HydrophobicContact CG2-CD1 3.66Å; T87-L89 HydrophobicContact CG2-CG 4.37Å; T87-L89 PolarHBondContact O-N 3.17Å; T87-L89 VanDerWaalsContact O-N 3.14Å; L89-S91 PolarHBondContact O-N 3.09Å; L89-H92 PolarHBondContact O-N 3.45Å; L89-W347 HydrophobicContact CD2-CH2 3.35Å; L89-W347 HydrophobicContact CD2-CZ2 3.22Å; L89-V383 HydrophobicContact CD2-CG2 4.15Å
90	F	60.3	Low	55.6	Low	6 Å²	6	79.8 Å²	79.8	3%	0.026	43%	0.432	C	S	.	.	H	α-helix	trans	-66.9	-21.7	179.7	-68.9	-70.6	0	0	0	112.2	L83 T87 E88 H92 F93 V94 V383 F387	L83-F90 HydrophobicContact CB-CB 4.33Å; L83-F90 HydrophobicContact CB-CD2 3.96Å; L83-F90 HydrophobicContact CB-CE2 4.48Å; L83-F90 HydrophobicContact CB-CG 4.01Å; L83-F90 HydrophobicContact CD2-CD2 4.43Å; L83-F90 HydrophobicContact CD2-CE1 4.48Å; L83-F90 HydrophobicContact CD2-CE2 4.12Å; L83-F90 HydrophobicContact CD2-CZ 4.17Å; L83-F90 WeakPolarHBondContact O-CD2 3.47Å; T87-F90 PolarHBondContact O-N 3.28Å; T87-F90 WeakPolarHBondContact OG1-CE2 3.48Å; E88-F90 VanDerWaalsContact C-N 3.31Å; E88-F90 PolarHBondContact O-N 3.12Å; F90-H92 PolarHBondContact O-N 3.37Å; F90-F93 PolarHBondContact O-N 2.85Å; F90-V94 VanDerWaalsContact O-CG2 3.23Å; F90-V94 WeakPolarHBondContact O-CG2 3.49Å; F90-V94 PolarHBondContact O-N 3.41Å; F90-V94 VanDerWaalsContact O-N 3.12Å; F90-V383 HydrophobicContact CE1-CG1 4.42Å; F90-V383 HydrophobicContact CZ-CG1 4.23Å; F90-F387 HydrophobicContact CE1-CE2 4.1Å; F90-F387 HydrophobicContact CE1-CZ 4.21Å; F90-F387 AromaticContact CZ-CE2 3.63Å; F90-F387 HydrophobicContact CZ-CE2 3.63Å; F90-F387 AromaticContact CZ-CZ 3.93Å; F90-F387 HydrophobicContact CZ-CZ 3.93Å
91	S	60	Low	53.7	Low	56 Å²	56	87.5 Å²	87.5	39%	0.392	46%	0.459	S	S	.	.	H	α-helix	trans	-60.8	-31.4	175.6	71.4	0	0	0	0	112.6	E88 L89 S95	E88-S91 VanDerWaalsContact O-CB 3.3Å; E88-S91 WeakPolarHBondContact O-CB 3.47Å; E88-S91 PolarHBondContact O-N 3Å; E88-S91 VanDerWaalsContact O-N 3.15Å; E88-S91 PolarHBondContact O-OG 3.01Å; L89-S91 PolarHBondContact O-N 3.09Å; S91-S95 WeakPolarHBondContact O-CB 3.2Å; S91-S95 PolarHBondContact O-N 3.4Å; S91-S95 PolarHBondContact O-OG 3.02Å
92	H	59.2	Low	51.6	Low	107 Å²	107	91.7 Å²	91.7	50%	0.495	48%	0.479	S	S	.	.	H	α-helix	trans	-72.6	-44.9	-178.3	-167.2	-85.4	0	0	0	112	L89 F90 V94 S95 S96	L89-H92 PolarHBondContact O-N 3.45Å; F90-H92 PolarHBondContact O-N 3.37Å; H92-V94 VanDerWaalsContact C-N 3.35Å; H92-S95 PolarHBondContact O-N 2.96Å; H92-S96 PolarHBondContact O-N 3.22Å; H92-S96 PolarHBondContact O-OG 3.3Å
93	F	55.4	Low	49.5	Very low	35 Å²	35	93.5 Å²	93.5	15%	0.154	51%	0.507	C	S	.	.	H	α-helix	trans	-68.7	-34.6	177.4	-69.9	-79.7	0	0	0	112.3	F90 S95 G97 V337 W347	F90-F93 PolarHBondContact O-N 2.85Å; F93-S95 VanDerWaalsContact C-N 3.32Å; F93-S95 PolarHBondContact O-N 2.96Å; F93-G97 PolarHBondContact O-N 3.2Å; F93-V337 HydrophobicContact CB-CG1 4.23Å; F93-W347 HydrophobicContact CZ-CB 4.44Å; F93-W347 HydrophobicContact CZ-CD2 4.2Å; F93-W347 HydrophobicContact CZ-CG 4.02Å
94	V	56.2	Low	47.7	Very low	62 Å²	62	103.3 Å²	103.3	38%	0.376	55%	0.55	S	S	.	.	H	α-helix	trans	-67.3	-33.8	174.2	174.8	0	0	0	0	111.6	F80 F90 H92	F80-V94 HydrophobicContact CD1-CG2 3.97Å; F80-V94 HydrophobicContact CE1-CG2 3.9Å; F90-V94 VanDerWaalsContact O-CG2 3.23Å; F90-V94 WeakPolarHBondContact O-CG2 3.49Å; F90-V94 PolarHBondContact O-N 3.41Å; F90-V94 VanDerWaalsContact O-N 3.12Å; H92-V94 VanDerWaalsContact C-N 3.35Å
95	S	52	Low	45.8	Very low	89 Å²	89	108.2 Å²	108.2	62%	0.622	57%	0.572	S	S	*	*	H	α-helix	trans	-77.7	-33	179.4	-57.5	0	0	0	0	113.1	S91 H92 F93	S91-S95 WeakPolarHBondContact O-CB 3.2Å; S91-S95 PolarHBondContact O-N 3.4Å; S91-S95 PolarHBondContact O-OG 3.02Å; H92-S95 PolarHBondContact O-N 2.96Å; F93-S95 VanDerWaalsContact C-N 3.32Å; F93-S95 PolarHBondContact O-N 2.96Å
96	S	45.9	Very low	43.9	Very low	76 Å²	76	106.3 Å²	106.3	53%	0.531	58%	0.576	S	S	.	*	H	α-helix	trans	-82.2	-21.8	179.2	-67.9	0	0	0	0	114.1	H92 H98	H92-S96 PolarHBondContact O-N 3.22Å; H92-S96 PolarHBondContact O-OG 3.3Å; S96-H98 PolarHBondContact O-N 3.43Å
97	G	40.8	Very low	42.4	Very low	46 Å²	46	105.9 Å²	105.9	47%	0.474	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	-0.3	176.5	0	0	0	0	0	115.4	F93	F93-G97 PolarHBondContact O-N 3.2Å
98	H	34.1	Very low	41	Very low	168 Å²	168	109.6 Å²	109.6	78%	0.778	61%	0.611	S	S	*	*			trans	-119.3	71.2	173.8	-83.5	12.9	0	0	0	110.7	S96 V100	S96-H98 PolarHBondContact O-N 3.43Å; H98-V100 PolarHBondContact O-N 3.47Å
99	S	31.8	Very low	39.7	Very low	109 Å²	109	107.4 Å²	107.4	76%	0.762	61%	0.611	S	S	*	*			trans	-64.8	98.7	166.3	44.6	0	0	0	0	110.9
100	V	27	Very low	38.4	Very low	122 Å²	122	113 Å²	113	74%	0.739	64%	0.641	S	S	*	*			trans	59	92.1	146.4	-165.3	0	0	0	0	117.2	H98	H98-V100 PolarHBondContact O-N 3.47Å
101	R	28.8	Very low	36.8	Very low	218 Å²	218	122.8 Å²	122.8	82%	0.823	68%	0.683	S	S	*	*			trans	-136.7	116.7	134.2	-73.5	-164.8	179.4	-171.6	-0.7	109.8
102	E	27	Very low	35.4	Very low	194 Å²	194	128.9 Å²	128.9	91%	0.907	71%	0.71	S	S	*	*			trans	-51.8	137.1	-179.7	-61.4	170.3	139.3	0	0	112.9
103	G	27.9	Very low	33.9	Very low	71 Å²	71	134.3 Å²	134.3	73%	0.732	73%	0.733	S	S	*	*			trans	151.8	86.2	164	0	0	0	0	0	116
104	K	29.3	Very low	32.8	Very low	210 Å²	210	135.8 Å²	135.8	91%	0.913	76%	0.758	S	S	*	*			trans	71.7	96.2	160.5	-58.9	178.2	179.1	176.9	0	117.7
105	M	25.4	Very low	31.7	Very low	182 Å²	182	140.4 Å²	140.4	90%	0.897	78%	0.779	S	S	*	*			trans	-78.7	152	145.3	-67.6	-157.9	-70.3	0	0	109.8
106	P	28.6	Very low	30.6	Very low	114 Å²	114	145.5 Å²	145.5	74%	0.74	79%	0.79	S	S	*	*				-142.2	128.8	112	32.7	-15.6	0	0	0	114.4
107	V	30.7	Very low	30.1	Very low	126 Å²	126	147.8 Å²	147.8	76%	0.764	81%	0.806	S	S	*	*				70.1	107.1	104	-168.6	0	0	0	0	116.5
108	S	29.6	Very low	29.6	Very low	98 Å²	98	154.2 Å²	154.2	69%	0.685	82%	0.824	S	S	*	*			trans	60.6	128.8	151.2	84.4	0	0	0	0	120.8	L110	S108-L110 PolarHBondContact O-N 3.11Å
109	P	28.9	Very low	29.6	Very low	122 Å²	122	156 Å²	156	79%	0.792	83%	0.83	S	S	*	*	S	Bend	trans	-88.2	100.7	177.4	33.3	-26.9	0	0	0	109.7
110	L	28.2	Very low	29.8	Very low	163 Å²	163	155.6 Å²	155.6	85%	0.853	83%	0.833	S	S	*	*			trans	166.6	93.2	161.1	-92.1	145.4	0	0	0	109.4	S108	S108-L110 PolarHBondContact O-N 3.11Å
111	K	27.1	Very low	30.1	Very low	210 Å²	210	156.6 Å²	156.6	91%	0.913	83%	0.833	S	S	*	*			trans	170.7	96.9	151.4	-96.1	162.4	-170.1	-177.4	0	110.8
112	L	30.3	Very low	30.2	Very low	185 Å²	185	152.7 Å²	152.7	97%	0.969	84%	0.836	S	S	*	*			trans	-143.6	98.1	147.4	-139.8	86.4	0	0	0	109.1
113	K	27.8	Very low	30.2	Very low	221 Å²	221	152 Å²	152	96%	0.961	83%	0.83	S	S	*	*			trans	-133.4	119.3	166.6	-118.8	-174.4	-179.3	179.3	0	106.3
114	G	32.1	Very low	30.5	Very low	66 Å²	66	155.7 Å²	155.7	68%	0.68	84%	0.838	S	S	*	*			trans	176.3	87.6	174.3	0	0	0	0	0	112
115	L	32.4	Very low	30.8	Very low	159 Å²	159	150.4 Å²	150.4	83%	0.832	83%	0.827	S	S	*	*				64.8	105.1	119.1	-84.3	84	0	0	0	116.4
116	K	29.2	Very low	30.9	Very low	196 Å²	196	146.8 Å²	146.8	85%	0.852	82%	0.82	S	S	*	*				86.4	112.1	81.5	-84.3	-170.8	-179.5	-174.8	0	115
117	S	34.3	Very low	31.1	Very low	123 Å²	123	148.4 Å²	148.4	86%	0.86	83%	0.827	S	S	*	*				178.2	142.9	116.2	69.5	0	0	0	0	113.2
118	E	31.1	Very low	31.1	Very low	182 Å²	182	145.2 Å²	145.2	85%	0.85	82%	0.82	S	S	*	*			trans	-76.6	160.8	-167.5	-59.5	160.8	127.8	0	0	116.7
119	K	34	Very low	31	Very low	206 Å²	206	147.7 Å²	147.7	90%	0.896	83%	0.826	S	S	*	*				-173.9	124.6	116.6	-99.8	171	-173.8	-178.8	0	115.1
120	A	35.2	Very low	31.4	Very low	100 Å²	100	150.6 Å²	150.6	83%	0.826	83%	0.828	S	S	*	*			trans	76.9	119.2	143	0	0	0	0	0	123
121	L	33.3	Very low	31.6	Very low	143 Å²	143	154 Å²	154	75%	0.749	83%	0.83	S	S	*	*			trans	-82.3	-177.2	175.7	-65.3	100.7	0	0	0	114.1	K123	L121-K123 HydrophobicContact CD2-CG 4.14Å
122	P	31.3	Very low	32	Very low	135 Å²	135	152.4 Å²	152.4	88%	0.877	83%	0.825	S	S	*	*				-135.9	153.6	92.3	26.5	-7.4	0	0	0	116.3
123	K	27.2	Very low	32.3	Very low	181 Å²	181	155.1 Å²	155.1	79%	0.787	82%	0.822	S	S	*	*			trans	-76.9	141.7	-176.7	-67.3	170.4	172.1	175.6	0	113.3	L121	L121-K123 HydrophobicContact CD2-CG 4.14Å
124	V	35.2	Very low	32.9	Very low	148 Å²	148	149 Å²	149	90%	0.897	80%	0.796	S	S	*	*			trans	-136.6	145.9	145.1	-178.5	0	0	0	0	108.6
125	S	33.9	Very low	33.4	Very low	99 Å²	99	149.6 Å²	149.6	69%	0.692	79%	0.787	S	S	*	*			trans	-82.4	145	-147.4	45.2	0	0	0	0	118.5
126	S	29	Very low	34	Very low	106 Å²	106	149.7 Å²	149.7	74%	0.741	78%	0.783	S	S	*	*			trans	38.2	120.5	142.5	67.9	0	0	0	0	120.9
127	V	31.6	Very low	35	Very low	147 Å²	147	147.4 Å²	147.4	89%	0.891	77%	0.773	S	S	*	*				175.2	129.5	113.2	156.9	0	0	0	0	109.4
128	G	32.1	Very low	35.6	Very low	60 Å²	60	146.1 Å²	146.1	62%	0.619	75%	0.753	S	S	*	*			trans	103.3	93.8	149.4	0	0	0	0	0	119
129	D	27.4	Very low	36.7	Very low	150 Å²	150	142 Å²	142	80%	0.802	73%	0.734	S	S	*	*			trans	-64.8	121.1	167.5	-109.4	-37.1	0	0	0	112.4
130	H	35.9	Very low	37.7	Very low	183 Å²	183	133.8 Å²	133.8	85%	0.847	70%	0.7	S	S	*	*			trans	-129.8	51.2	170.4	-69.5	-57.3	0	0	0	112.3	H132	H130-H132 VanDerWaalsContact C-N 3.34Å; H130-H132 PolarHBondContact O-N 3.43Å
131	R	33.3	Very low	38.7	Very low	234 Å²	234	134.3 Å²	134.3	88%	0.883	69%	0.685	S	S	*	*			trans	-94	40.3	174.7	-78.3	-175.7	172.7	-179	0.1	113.7
132	H	35.6	Very low	39.7	Very low	176 Å²	176	132.3 Å²	132.3	82%	0.815	67%	0.672	S	S	*	*			trans	-101.6	125.4	165	-104.8	-85.7	0	0	0	109.3	H130 K134	H130-H132 VanDerWaalsContact C-N 3.34Å; H130-H132 PolarHBondContact O-N 3.43Å; H132-K134 PolarHBondContact O-N 3.44Å; H132-K134 VanDerWaalsContact O-N 3.16Å
133	R	36.1	Very low	40.8	Very low	242 Å²	242	127.8 Å²	127.8	91%	0.913	64%	0.64	S	S	*	*			trans	-64.2	111.2	169.3	-177.3	178.9	-176.9	171.2	0.8	107.1
134	K	40	Very low	42	Very low	92 Å²	92	122.7 Å²	122.7	40%	0.4	62%	0.621	S	S	.	*			trans	-58.1	140.6	-179.9	-72	176.9	175.1	172.2	0	110	H132 E138 E139 E142	H132-K134 PolarHBondContact O-N 3.44Å; H132-K134 VanDerWaalsContact O-N 3.16Å; K134-E138 WeakPolarHBondContact CA-OE2 3.4Å; K134-E138 HydrophobicContact CB-CB 4.22Å; K134-E138 HydrophobicContact CG-CB 4.46Å; K134-E139 HydrophobicContact CB-CG 3.81Å; K134-E139 HydrophobicContact CD-CG 4.41Å; K134-E142 IonicContact NZ-OE1 3.8Å; K134-E142 PolarHBondContact NZ-OE1 2.98Å; K134-E142 IonicContact NZ-OE2 2.81Å; K134-E142 PolarHBondContact NZ-OE2 3.17Å
135	T	42.6	Very low	42.6	Very low	80 Å²	80	123.2 Å²	123.2	49%	0.491	62%	0.616	S	S	.	*			trans	-76.2	152.6	170.8	50.3	0	0	0	0	109.7	K137 E138 E139	T135-K137 PolarHBondContact O-N 3.32Å; T135-E138 PolarHBondContact N-OE2 2.68Å; T135-E138 PolarHBondContact O-N 3.13Å; T135-E138 WeakPolarHBondContact OG1-CG 3.41Å; T135-E138 PolarHBondContact OG1-OE2 2.64Å; T135-E138 VanDerWaalsContact OG1-OE2 3.06Å; T135-E139 PolarHBondContact O-N 3.39Å; T135-E139 VanDerWaalsContact O-N 3.08Å
136	E	46.6	Very low	43.4	Very low	161 Å²	161	122.2 Å²	122.2	75%	0.752	60%	0.6	S	S	*	*	H	α-helix	trans	-48.3	-33.4	175.9	-84.1	179.8	159	0	0	111.7	D140	E136-D140 WeakPolarHBondContact O-CB 3.49Å; E136-D140 PolarHBondContact O-N 3.45Å
137	K	49.8	Very low	44.6	Very low	147 Å²	147	118.8 Å²	118.8	64%	0.639	57%	0.573	S	S	*	*	H	α-helix	trans	-70.6	-35.4	178.4	-151.3	-176.9	180	-163.8	0	113.8	T135 E141	T135-K137 PolarHBondContact O-N 3.32Å; K137-E141 WeakPolarHBondContact O-CB 3.46Å; K137-E141 WeakPolarHBondContact O-CG 3.47Å; K137-E141 PolarHBondContact O-N 3.36Å
138	E	45.8	Very low	45.9	Very low	96 Å²	96	122.4 Å²	122.4	45%	0.449	57%	0.57	S	S	.	*	H	α-helix	trans	-75.5	-33.5	175.5	-77.1	169.3	143.9	0	0	111.7	K134 T135 E142	K134-E138 WeakPolarHBondContact CA-OE2 3.4Å; K134-E138 HydrophobicContact CB-CB 4.22Å; K134-E138 HydrophobicContact CG-CB 4.46Å; T135-E138 PolarHBondContact N-OE2 2.68Å; T135-E138 PolarHBondContact O-N 3.13Å; T135-E138 WeakPolarHBondContact OG1-CG 3.41Å; T135-E138 PolarHBondContact OG1-OE2 2.64Å; T135-E138 VanDerWaalsContact OG1-OE2 3.06Å; E138-E142 WeakPolarHBondContact O-CB 3.41Å; E138-E142 PolarHBondContact O-N 3.41Å; E138-E142 VanDerWaalsContact O-N 3.09Å
139	E	54.9	Low	47.9	Very low	97 Å²	97	120.1 Å²	120.1	45%	0.453	54%	0.543	S	S	.	.	H	α-helix	trans	-67.3	-42.5	171.6	-65.6	179.9	169.1	0	0	110.9	K134 T135 E141 E142 L143	K134-E139 HydrophobicContact CB-CG 3.81Å; K134-E139 HydrophobicContact CD-CG 4.41Å; T135-E139 PolarHBondContact O-N 3.39Å; T135-E139 VanDerWaalsContact O-N 3.08Å; E139-E141 PolarHBondContact O-N 3.4Å; E139-E142 PolarHBondContact O-N 3.03Å; E139-L143 PolarHBondContact O-N 3Å; E139-L143 VanDerWaalsContact O-N 3.17Å
140	D	55.1	Low	50.4	Low	32 Å²	32	114 Å²	114	17%	0.171	51%	0.51	C	S	.	.	H	α-helix	trans	-59.3	-44.4	173.6	-74.6	-10.7	0	0	0	111.5	E136 L144 N164	E136-D140 WeakPolarHBondContact O-CB 3.49Å; E136-D140 PolarHBondContact O-N 3.45Å; D140-L144 VanDerWaalsContact O-CB 3.27Å; D140-L144 WeakPolarHBondContact O-CB 3.33Å; D140-L144 WeakPolarHBondContact O-CD1 3.48Å; D140-L144 WeakPolarHBondContact O-CG 3.36Å; D140-L144 PolarHBondContact O-N 3.47Å; D140-N164 PolarHBondContact OD1-ND2 2.77Å
141	E	56.3	Low	52.4	Low	112 Å²	112	110.9 Å²	110.9	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-69.4	-33.8	-179.6	-80.5	177	-168.3	0	0	113.9	K137 E139 L144 M145	K137-E141 WeakPolarHBondContact O-CB 3.46Å; K137-E141 WeakPolarHBondContact O-CG 3.47Å; K137-E141 PolarHBondContact O-N 3.36Å; E139-E141 PolarHBondContact O-N 3.4Å; E141-L144 WeakPolarHBondContact O-CB 3.29Å; E141-M145 PolarHBondContact O-N 3.33Å
142	E	54.7	Low	54.4	Low	101 Å²	101	105.3 Å²	105.3	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-73.6	-40.6	178.5	-160	176.8	-142.2	0	0	111.4	K134 E138 E139 M145	K134-E142 IonicContact NZ-OE1 3.8Å; K134-E142 PolarHBondContact NZ-OE1 2.98Å; K134-E142 IonicContact NZ-OE2 2.81Å; K134-E142 PolarHBondContact NZ-OE2 3.17Å; E138-E142 WeakPolarHBondContact O-CB 3.41Å; E138-E142 PolarHBondContact O-N 3.41Å; E138-E142 VanDerWaalsContact O-N 3.09Å; E139-E142 PolarHBondContact O-N 3.03Å; E142-M145 PolarHBondContact O-N 3.39Å
143	L	54.4	Low	56.4	Low	40 Å²	40	98.9 Å²	98.9	21%	0.209	46%	0.463	C	S	.	.	H	α-helix	trans	-70.3	-31.3	174.5	-76.1	161.5	0	0	0	112.5	E139 M145 E146 E147 Y199	E139-L143 PolarHBondContact O-N 3Å; E139-L143 VanDerWaalsContact O-N 3.17Å; L143-M145 PolarHBondContact O-N 3.06Å; L143-E146 CarbonylContact O-C 3.54Å; L143-E146 WeakPolarHBondContact O-CA 3.4Å; L143-E146 WeakPolarHBondContact O-CB 3.12Å; L143-E146 PolarHBondContact O-N 2.68Å; L143-E147 PolarHBondContact O-N 3.38Å; L143-Y199 HydrophobicContact CD2-CE2 4.3Å
144	L	51.6	Low	58.6	Low	73 Å²	73	96.1 Å²	96.1	38%	0.382	46%	0.461	S	S	.	.	H	α-helix	trans	-58.5	-32.3	171.9	-91.2	164.2	0	0	0	113	D140 E141 E146 I160	D140-L144 VanDerWaalsContact O-CB 3.27Å; D140-L144 WeakPolarHBondContact O-CB 3.33Å; D140-L144 WeakPolarHBondContact O-CD1 3.48Å; D140-L144 WeakPolarHBondContact O-CG 3.36Å; D140-L144 PolarHBondContact O-N 3.47Å; E141-L144 WeakPolarHBondContact O-CB 3.29Å; L144-E146 VanDerWaalsContact C-N 3.25Å; L144-E146 PolarHBondContact O-N 2.72Å; L144-I160 HydrophobicContact CD1-CD1 4.45Å; L144-I160 HydrophobicContact CD1-CG2 4.45Å; L144-I160 HydrophobicContact CD2-CD1 3.29Å; L144-I160 HydrophobicContact CD2-CG1 3.95Å; L144-I160 HydrophobicContact CD2-CG2 4.19Å; L144-I160 HydrophobicContact CG-CD1 4.22Å; L144-I160 HydrophobicContact CG-CG2 4.07Å
145	M	47.8	Very low	60.6	Low	160 Å²	160	92.5 Å²	92.5	79%	0.788	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-18	172.6	-71	-156.7	-179.5	0	0	113.1	E141 E142 L143	E141-M145 PolarHBondContact O-N 3.33Å; E142-M145 PolarHBondContact O-N 3.39Å; L143-M145 PolarHBondContact O-N 3.06Å
146	E	51.4	Low	62.6	Low	78 Å²	78	93.3 Å²	93.3	36%	0.364	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-5.6	-178.3	-62.4	-176.4	166.2	0	0	113.1	L143 L144 R148 Y203	L143-E146 CarbonylContact O-C 3.54Å; L143-E146 WeakPolarHBondContact O-CA 3.4Å; L143-E146 WeakPolarHBondContact O-CB 3.12Å; L143-E146 PolarHBondContact O-N 2.68Å; L144-E146 VanDerWaalsContact C-N 3.25Å; L144-E146 PolarHBondContact O-N 2.72Å; E146-R148 PolarHBondContact O-N 3.27Å; E146-Y203 HydrophobicContact CB-CE1 4.29Å; E146-Y203 WeakPolarHBondContact O-CE2 3.31Å; E146-Y203 VanDerWaalsContact O-CZ 3.27Å; E146-Y203 PolarHBondContact O-OH 2.96Å
147	E	53.9	Low	64.3	Low	34 Å²	34	91.3 Å²	91.3	16%	0.159	43%	0.434	C	S	.	.			trans	-72.9	26.4	-177	-64.1	-165.8	157.5	0	0	116.2	L143 H149 I150	L143-E147 PolarHBondContact O-N 3.38Å; E147-H149 PolarHBondContact O-N 2.88Å; E147-I150 PolarHBondContact O-N 3.39Å
148	R	59.3	Low	65.8	Low	222 Å²	222	85.3 Å²	85.3	84%	0.838	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-3.8	-176.6	-65.2	-172.2	179.4	-167.7	-0.5	115.2	E146	E146-R148 PolarHBondContact O-N 3.27Å
149	H	73.5	Confident	67.7	Low	12 Å²	12	81.4 Å²	81.4	6%	0.056	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-20.7	-179.9	60.4	-82.4	0	0	0	114.7	E147 S195 Y199 H202 Y203	E147-H149 PolarHBondContact O-N 2.88Å; H149-S195 PolarHBondContact NE2-O 3.15Å; H149-Y199 PolarHBondContact NE2-N 3.47Å; H149-H202 WeakPolarHBondContact CB-CD2 3.37Å; H149-Y203 AromaticContact ND1-CE2 3.93Å
150	I	80.4	Confident	69.2	Low	22 Å²	22	77.1 Å²	77.1	11%	0.113	37%	0.369	C	S	.	.			trans	-82.1	121.8	173.9	-60.5	-61.2	0	0	0	109	E147 M155 S195 W230	E147-I150 PolarHBondContact O-N 3.39Å; I150-M155 HydrophobicContact CG1-SD 4.39Å; I150-S195 WeakPolarHBondContact CD1-OG 3.45Å; I150-W230 CarbonylContact C-O 3.54Å; I150-W230 WeakPolarHBondContact CA-O 3.49Å; I150-W230 HydrophobicContact CD1-CB 4.39Å; I150-W230 HydrophobicContact CG2-CE3 3.91Å
151	K	76.6	Confident	70.6	Confident	118 Å²	118	83 Å²	83	51%	0.513	39%	0.389	S	S	.	.			trans	-106.2	156.4	177.9	-60.5	-169.4	179.9	-176.1	0	109.7	G153 W230 P232	K151-G153 PolarHBondContact O-N 3.5Å; K151-W230 PolarHBondContact N-O 2.98Å; K151-W230 VanDerWaalsContact O-CE3 3.29Å; K151-P232 HydrophobicContact CD-CG 4.2Å
152	N	76	Confident	72.1	Confident	117 Å²	117	77.7 Å²	77.7	63%	0.626	36%	0.364	S	S	*	.	S	Bend	trans	69.8	20.6	170.7	-51.4	-38.7	0	0	0	116.7	R229 W230	N152-R229 PolarHBondContact ND2-O 3.03Å; N152-W230 WeakPolarHBondContact O-CZ3 3.49Å
153	G	77.8	Confident	73.8	Confident	40 Å²	40	73 Å²	73	41%	0.412	34%	0.343	S	S	.	.	S	Bend	trans	162.7	177.4	165.1	0	0	0	0	0	112.8	K151	K151-G153 PolarHBondContact O-N 3.5Å
154	E	82.1	Confident	75.3	Confident	184 Å²	184	72.1 Å²	72.1	86%	0.86	34%	0.338	S	S	*	.			trans	-108.8	141.3	-176.2	-65.9	176	173	0	0	110.7
155	M	83	Confident	77	Confident	17 Å²	17	70.9 Å²	70.9	8%	0.084	33%	0.328	C	S	.	.			trans	-77.2	142.3	171.7	-69.3	-175.8	66.3	0	0	109.9	I150 Q159 I160 L163 L191 Q192 S195	I150-M155 HydrophobicContact CG1-SD 4.39Å; M155-Q159 HydrophobicContact CB-CB 4.3Å; M155-Q159 HydrophobicContact CE-CB 3.61Å; M155-I160 HydrophobicContact CB-CD1 4.35Å; M155-I160 HydrophobicContact CB-CG1 3.89Å; M155-L163 HydrophobicContact CE-CB 4.28Å; M155-L163 HydrophobicContact CE-CD2 4.29Å; M155-L163 HydrophobicContact SD-CD2 4.33Å; M155-L191 HydrophobicContact CG-CD2 4.09Å; M155-L191 HydrophobicContact CG-CG 4.33Å; M155-Q192 HydrophobicContact CE-CG 4.46Å; M155-S195 PolarHBondContact SD-OG 3.24Å
156	R	83.1	Confident	79	Confident	97 Å²	97	63.4 Å²	63.4	37%	0.366	29%	0.291	S	S	.	.			trans	-81	156.8	174.9	-63.7	177.9	176.1	-164.5	11	110.6	Y158 Q159 I160 E397	R156-Y158 VanDerWaalsContact C-N 3.26Å; R156-Y158 HydrophobicContact CB-CD1 3.68Å; R156-Y158 HydrophobicContact CB-CE1 3.58Å; R156-Y158 HydrophobicContact CG-CE1 4.23Å; R156-Y158 PolarHBondContact O-N 3.41Å; R156-Q159 HydrophobicContact CB-CG 4.32Å; R156-Q159 WeakPolarHBondContact O-CA 3.42Å; R156-Q159 VanDerWaalsContact O-CB 3.29Å; R156-Q159 WeakPolarHBondContact O-CB 3.4Å; R156-Q159 PolarHBondContact O-N 2.91Å; R156-I160 PolarHBondContact O-N 3.34Å; R156-I160 VanDerWaalsContact O-N 3.08Å; R156-E397 IonicContact CZ-OE1 2.68Å; R156-E397 VanDerWaalsContact NH1-CD 3.32Å; R156-E397 IonicContact NH1-OE1 2.66Å; R156-E397 PolarHBondContact NH1-OE1 3.49Å; R156-E397 IonicContact NH2-OE1 3.7Å; R156-E397 PolarHBondContact NH2-OE1 3.41Å
157	D	82.1	Confident	80.8	Confident	118 Å²	118	60.1 Å²	60.1	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-47.7	-44.5	-176.7	-57.3	3.4	0	0	0	114	Q159 I160 R161	D157-Q159 VanDerWaalsContact C-N 3.32Å; D157-Q159 PolarHBondContact O-N 2.89Å; D157-I160 PolarHBondContact O-N 2.7Å; D157-R161 WeakPolarHBondContact O-CG 3.39Å; D157-R161 PolarHBondContact O-N 2.87Å
158	Y	81.9	Confident	82.3	Confident	21 Å²	21	60.9 Å²	60.9	8%	0.082	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-34.3	179.3	77.1	-89.5	0	0	0	111.7	R156 I160 R161 G162 L187 R391 V396	R156-Y158 VanDerWaalsContact C-N 3.26Å; R156-Y158 HydrophobicContact CB-CD1 3.68Å; R156-Y158 HydrophobicContact CB-CE1 3.58Å; R156-Y158 HydrophobicContact CG-CE1 4.23Å; R156-Y158 PolarHBondContact O-N 3.41Å; Y158-I160 VanDerWaalsContact C-N 3.32Å; Y158-R161 PolarHBondContact O-N 3.5Å; Y158-G162 PolarHBondContact O-N 2.98Å; Y158-L187 HydrophobicContact CD2-CB 4.46Å; Y158-L187 HydrophobicContact CD2-CD2 4.43Å; Y158-L187 HydrophobicContact CE2-CB 3.69Å; Y158-L187 HydrophobicContact CE2-CD2 3.84Å; Y158-L187 HydrophobicContact CE2-CG 4.33Å; Y158-L187 WeakPolarHBondContact CE2-O 3.47Å; Y158-R391 PolarHBondContact O-NH1 3.17Å; Y158-V396 HydrophobicContact CD1-CB 4.46Å; Y158-V396 HydrophobicContact CD1-CG1 2.99Å; Y158-V396 HydrophobicContact CD2-CG1 3.58Å; Y158-V396 HydrophobicContact CD2-CG2 4.48Å; Y158-V396 HydrophobicContact CE1-CG1 3.25Å; Y158-V396 HydrophobicContact CE2-CG1 3.84Å; Y158-V396 HydrophobicContact CG-CB 4.38Å; Y158-V396 HydrophobicContact CG-CG1 3.14Å; Y158-V396 HydrophobicContact CG-CG2 4.36Å
159	Q	86.6	Confident	83.6	Confident	15 Å²	15	50.5 Å²	50.5	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-38.5	178.2	-59.1	175	-37.8	0	0	110.1	M155 R156 D157 G162 L163 Q192	M155-Q159 HydrophobicContact CB-CB 4.3Å; M155-Q159 HydrophobicContact CE-CB 3.61Å; R156-Q159 HydrophobicContact CB-CG 4.32Å; R156-Q159 WeakPolarHBondContact O-CA 3.42Å; R156-Q159 VanDerWaalsContact O-CB 3.29Å; R156-Q159 WeakPolarHBondContact O-CB 3.4Å; R156-Q159 PolarHBondContact O-N 2.91Å; D157-Q159 VanDerWaalsContact C-N 3.32Å; D157-Q159 PolarHBondContact O-N 2.89Å; Q159-G162 PolarHBondContact O-N 3.46Å; Q159-L163 WeakPolarHBondContact O-CB 3.42Å; Q159-L163 PolarHBondContact O-N 2.89Å; Q159-Q192 HydrophobicContact CB-CG 3.96Å; Q159-Q192 HydrophobicContact CG-CG 4.36Å
160	I	86.4	Confident	84.1	Confident	7 Å²	7	51 Å²	51	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-49.3	174.5	-64	151.3	0	0	0	110.3	L144 M155 R156 D157 Y158 G162 L163 N164	L144-I160 HydrophobicContact CD1-CD1 4.45Å; L144-I160 HydrophobicContact CD1-CG2 4.45Å; L144-I160 HydrophobicContact CD2-CD1 3.29Å; L144-I160 HydrophobicContact CD2-CG1 3.95Å; L144-I160 HydrophobicContact CD2-CG2 4.19Å; L144-I160 HydrophobicContact CG-CD1 4.22Å; L144-I160 HydrophobicContact CG-CG2 4.07Å; M155-I160 HydrophobicContact CB-CD1 4.35Å; M155-I160 HydrophobicContact CB-CG1 3.89Å; R156-I160 PolarHBondContact O-N 3.34Å; R156-I160 VanDerWaalsContact O-N 3.08Å; D157-I160 PolarHBondContact O-N 2.7Å; Y158-I160 VanDerWaalsContact C-N 3.32Å; I160-G162 PolarHBondContact O-N 3.17Å; I160-L163 CarbonylContact O-C 3.57Å; I160-L163 WeakPolarHBondContact O-CA 3.43Å; I160-L163 WeakPolarHBondContact O-CB 3.46Å; I160-L163 PolarHBondContact O-N 2.75Å; I160-N164 PolarHBondContact O-N 3.16Å
161	R	84.7	Confident	84.3	Confident	155 Å²	155	54.5 Å²	54.5	59%	0.585	26%	0.264	S	S	*	.	H	α-helix	trans	-58.1	-36.2	174.1	-69.1	-176.1	-160.9	167.5	8.8	112.7	D157 Y158 W165	D157-R161 WeakPolarHBondContact O-CG 3.39Å; D157-R161 PolarHBondContact O-N 2.87Å; Y158-R161 PolarHBondContact O-N 3.5Å; R161-W165 VanDerWaalsContact O-CB 3.32Å; R161-W165 WeakPolarHBondContact O-CB 3.17Å; R161-W165 PolarHBondContact O-N 2.91Å
162	G	86.8	Confident	84.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69.7	-38.4	176.1	0	0	0	0	0	112.9	Y158 Q159 I160 M166	Y158-G162 PolarHBondContact O-N 2.98Å; Q159-G162 PolarHBondContact O-N 3.46Å; I160-G162 PolarHBondContact O-N 3.17Å; G162-M166 WeakPolarHBondContact O-CG 3.33Å; G162-M166 PolarHBondContact O-N 3.33Å; G162-M166 VanDerWaalsContact O-N 3.07Å
163	L	89.4	Confident	84.8	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-50.2	171.5	174.9	61.4	0	0	0	111.1	M155 Q159 I160 W165 M166 I167 L196	M155-L163 HydrophobicContact CE-CB 4.28Å; M155-L163 HydrophobicContact CE-CD2 4.29Å; M155-L163 HydrophobicContact SD-CD2 4.33Å; Q159-L163 WeakPolarHBondContact O-CB 3.42Å; Q159-L163 PolarHBondContact O-N 2.89Å; I160-L163 CarbonylContact O-C 3.57Å; I160-L163 WeakPolarHBondContact O-CA 3.43Å; I160-L163 WeakPolarHBondContact O-CB 3.46Å; I160-L163 PolarHBondContact O-N 2.75Å; L163-W165 VanDerWaalsContact C-N 3.29Å; L163-W165 PolarHBondContact O-N 3.12Å; L163-M166 CarbonylContact O-C 3.56Å; L163-M166 WeakPolarHBondContact O-CA 3.47Å; L163-M166 WeakPolarHBondContact O-CB 3.39Å; L163-M166 PolarHBondContact O-N 3.36Å; L163-I167 HydrophobicContact CD1-CD1 4.01Å; L163-I167 HydrophobicContact CD1-CG1 4.19Å; L163-I167 HydrophobicContact CG-CD1 3.84Å; L163-I167 HydrophobicContact CG-CG1 4.43Å; L163-I167 WeakPolarHBondContact O-CG1 3.42Å; L163-I167 PolarHBondContact O-N 3.01Å; L163-L196 HydrophobicContact CD1-CB 4.08Å
164	N	86.9	Confident	85	Confident	20 Å²	20	43.7 Å²	43.7	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-37.9	179.6	-67.8	-13	0	0	0	111.7	D140 I160 I167 S168	D140-N164 PolarHBondContact OD1-ND2 2.77Å; I160-N164 PolarHBondContact O-N 3.16Å; N164-I167 PolarHBondContact O-N 2.87Å; N164-S168 WeakPolarHBondContact O-CB 3.44Å; N164-S168 PolarHBondContact O-N 3.34Å
165	W	88.2	Confident	85.3	Confident	48 Å²	48	35 Å²	35	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-46.3	170.6	177.2	78.6	0	0	0	112.1	R161 L163 S168 L169 I177 L178 F387 L389	R161-W165 VanDerWaalsContact O-CB 3.32Å; R161-W165 WeakPolarHBondContact O-CB 3.17Å; R161-W165 PolarHBondContact O-N 2.91Å; L163-W165 VanDerWaalsContact C-N 3.29Å; L163-W165 PolarHBondContact O-N 3.12Å; W165-S168 WeakPolarHBondContact O-CB 3.5Å; W165-S168 PolarHBondContact O-N 3.27Å; W165-L169 HydrophobicContact CD2-CD1 4.16Å; W165-L169 HydrophobicContact CD2-CG 4.44Å; W165-L169 HydrophobicContact CE3-CD1 4.12Å; W165-L169 HydrophobicContact CH2-CD1 3.45Å; W165-L169 VanDerWaalsContact CH2-CD1 3.45Å; W165-L169 HydrophobicContact CZ2-CD1 3.47Å; W165-L169 VanDerWaalsContact CZ2-CD1 3.47Å; W165-L169 HydrophobicContact CZ2-CG 4.27Å; W165-L169 HydrophobicContact CZ3-CD1 3.78Å; W165-L169 WeakPolarHBondContact O-CG 3.39Å; W165-L169 PolarHBondContact O-N 3Å; W165-I177 WeakPolarHBondContact CH2-O 3.49Å; W165-L178 HydrophobicContact CZ3-CD1 4.47Å; W165-F387 WeakPolarHBondContact CH2-O 3.37Å; W165-F387 WeakPolarHBondContact CZ2-O 3.26Å; W165-L389 HydrophobicContact CB-CD2 4.23Å; W165-L389 HydrophobicContact CD2-CB 3.78Å; W165-L389 HydrophobicContact CD2-CD2 3.89Å; W165-L389 HydrophobicContact CD2-CG 4.34Å; W165-L389 HydrophobicContact CE3-CB 3.7Å; W165-L389 HydrophobicContact CE3-CD2 3.72Å; W165-L389 HydrophobicContact CE3-CG 4.34Å; W165-L389 HydrophobicContact CG-CD2 4.12Å; W165-L389 HydrophobicContact CH2-CB 3.67Å; W165-L389 HydrophobicContact CZ2-CB 3.74Å; W165-L389 HydrophobicContact CZ3-CB 3.65Å; W165-L389 HydrophobicContact CZ3-CD2 4.39Å
166	M	89.6	Confident	85.5	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-35.7	176.8	-70.7	-172.8	-66.2	0	0	113.3	G162 L163 L169 F170 L178 Q192 L196 L312	G162-M166 WeakPolarHBondContact O-CG 3.33Å; G162-M166 PolarHBondContact O-N 3.33Å; G162-M166 VanDerWaalsContact O-N 3.07Å; L163-M166 CarbonylContact O-C 3.56Å; L163-M166 WeakPolarHBondContact O-CA 3.47Å; L163-M166 WeakPolarHBondContact O-CB 3.39Å; L163-M166 PolarHBondContact O-N 3.36Å; M166-L169 PolarHBondContact O-N 3.27Å; M166-F170 WeakPolarHBondContact O-CB 3.41Å; M166-F170 PolarHBondContact O-N 3.41Å; M166-L178 HydrophobicContact SD-CD2 4.39Å; M166-Q192 HydrophobicContact CE-CB 3.65Å; M166-Q192 VanDerWaalsContact CE-O 3.26Å; M166-Q192 WeakPolarHBondContact CE-O 3.38Å; M166-L196 HydrophobicContact CB-CD1 4.06Å; M166-L196 HydrophobicContact CB-CD2 4.11Å; M166-L196 HydrophobicContact CE-CB 4.35Å; M166-L196 HydrophobicContact SD-CD2 4.21Å; M166-L312 HydrophobicContact SD-CD1 4.04Å; M166-L312 HydrophobicContact SD-CD2 3.77Å
167	I	87.9	Confident	85.6	Confident	9 Å²	9	29.9 Å²	29.9	5%	0.046	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-45.1	173.5	-68.1	169.3	0	0	0	109.6	L163 N164 L169 F170 E171 L196 Y199	L163-I167 HydrophobicContact CD1-CD1 4.01Å; L163-I167 HydrophobicContact CD1-CG1 4.19Å; L163-I167 HydrophobicContact CG-CD1 3.84Å; L163-I167 HydrophobicContact CG-CG1 4.43Å; L163-I167 WeakPolarHBondContact O-CG1 3.42Å; L163-I167 PolarHBondContact O-N 3.01Å; N164-I167 PolarHBondContact O-N 2.87Å; I167-L169 VanDerWaalsContact C-N 3.32Å; I167-L169 PolarHBondContact O-N 3.21Å; I167-F170 WeakPolarHBondContact O-CB 3.48Å; I167-F170 PolarHBondContact O-N 3.2Å; I167-F170 VanDerWaalsContact O-N 3.13Å; I167-E171 HydrophobicContact CG2-CG 4.27Å; I167-E171 WeakPolarHBondContact O-CG 3.21Å; I167-E171 PolarHBondContact O-N 3.46Å; I167-L196 HydrophobicContact CG1-CD1 4.06Å; I167-Y199 HydrophobicContact CD1-CD1 3.98Å; I167-Y199 HydrophobicContact CD1-CD2 3.89Å; I167-Y199 HydrophobicContact CD1-CE1 4.16Å; I167-Y199 HydrophobicContact CD1-CE2 4.06Å; I167-Y199 HydrophobicContact CD1-CG 3.85Å; I167-Y199 HydrophobicContact CG1-CD1 3.9Å; I167-Y199 HydrophobicContact CG1-CE1 4.06Å; I167-Y199 HydrophobicContact CG1-CG 4.24Å; I167-Y199 HydrophobicContact CG2-CE1 3.86Å
168	S	85.8	Confident	85.9	Confident	50 Å²	50	24.3 Å²	24.3	35%	0.35	11%	0.114	S	C	.	.	H	α-helix	trans	-59.9	-41.4	175.7	-171.9	0	0	0	0	112	N164 W165 N172	N164-S168 WeakPolarHBondContact O-CB 3.44Å; N164-S168 PolarHBondContact O-N 3.34Å; W165-S168 WeakPolarHBondContact O-CB 3.5Å; W165-S168 PolarHBondContact O-N 3.27Å; S168-N172 PolarHBondContact O-N 2.98Å; S168-N172 PolarHBondContact O-ND2 3.02Å
169	L	86.3	Confident	85.7	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-47.2	173.3	-69.2	-173	0	0	0	111.7	W165 M166 I167 E171 N172 G173 I174 P386	W165-L169 HydrophobicContact CD2-CD1 4.16Å; W165-L169 HydrophobicContact CD2-CG 4.44Å; W165-L169 HydrophobicContact CE3-CD1 4.12Å; W165-L169 HydrophobicContact CH2-CD1 3.45Å; W165-L169 VanDerWaalsContact CH2-CD1 3.45Å; W165-L169 HydrophobicContact CZ2-CD1 3.47Å; W165-L169 VanDerWaalsContact CZ2-CD1 3.47Å; W165-L169 HydrophobicContact CZ2-CG 4.27Å; W165-L169 HydrophobicContact CZ3-CD1 3.78Å; W165-L169 WeakPolarHBondContact O-CG 3.39Å; W165-L169 PolarHBondContact O-N 3Å; M166-L169 PolarHBondContact O-N 3.27Å; I167-L169 VanDerWaalsContact C-N 3.32Å; I167-L169 PolarHBondContact O-N 3.21Å; L169-E171 PolarHBondContact O-N 3.24Å; L169-N172 CarbonylContact O-C 3.47Å; L169-N172 PolarHBondContact O-N 3.17Å; L169-G173 PolarHBondContact O-N 3.09Å; L169-G173 VanDerWaalsContact O-N 3.17Å; L169-I174 CarbonylContact C-O 3.56Å; L169-I174 HydrophobicContact CD2-CB 4.21Å; L169-I174 HydrophobicContact CD2-CG2 3.87Å; L169-I174 PolarHBondContact O-N 2.89Å; L169-P386 WeakPolarHBondContact CD2-O 2.96Å
170	F	84.9	Confident	85.1	Confident	21 Å²	21	22.6 Å²	22.6	9%	0.092	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-46.6	179	174.3	-112.8	0	0	0	112.7	M166 I167 N172 G173 M200 M207 Y283 N310	M166-F170 WeakPolarHBondContact O-CB 3.41Å; M166-F170 PolarHBondContact O-N 3.41Å; I167-F170 WeakPolarHBondContact O-CB 3.48Å; I167-F170 PolarHBondContact O-N 3.2Å; I167-F170 VanDerWaalsContact O-N 3.13Å; F170-N172 VanDerWaalsContact C-N 3.27Å; F170-N172 PolarHBondContact O-N 2.78Å; F170-G173 WeakPolarHBondContact O-CA 3.47Å; F170-G173 PolarHBondContact O-N 3.36Å; F170-M200 HydrophobicContact CD2-SD 4.28Å; F170-M200 HydrophobicContact CE1-CG 4.16Å; F170-M200 HydrophobicContact CE1-SD 4.4Å; F170-M200 HydrophobicContact CE2-SD 3.83Å; F170-M200 HydrophobicContact CZ-CG 4.15Å; F170-M200 HydrophobicContact CZ-SD 3.89Å; F170-M207 HydrophobicContact CZ-SD 3.8Å; F170-Y283 WeakPolarHBondContact CB-OH 3.3Å; F170-Y283 HydrophobicContact CD2-CD2 4.43Å; F170-Y283 AromaticContact CD2-CE2 3.4Å; F170-Y283 HydrophobicContact CD2-CE2 3.4Å; F170-Y283 AromaticContact CD2-CZ 4Å; F170-Y283 AromaticContact CE2-CE2 3.86Å; F170-Y283 HydrophobicContact CE2-CE2 3.86Å; F170-Y283 HydrophobicContact CG-CE2 4.22Å; F170-N310 VanDerWaalsContact CD2-ND2 3.33Å; F170-N310 WeakPolarHBondContact CD2-ND2 3.43Å; F170-N310 WeakPolarHBondContact CE2-ND2 3.27Å
171	E	84.3	Confident	84	Confident	96 Å²	96	25.2 Å²	25.2	45%	0.449	12%	0.119	S	C	.	.	H	α-helix	trans	-65.9	-29.4	-179	-71.5	-172.7	156	0	0	113.2	I167 L169 G173 R204	I167-E171 HydrophobicContact CG2-CG 4.27Å; I167-E171 WeakPolarHBondContact O-CG 3.21Å; I167-E171 PolarHBondContact O-N 3.46Å; L169-E171 PolarHBondContact O-N 3.24Å; E171-G173 VanDerWaalsContact C-N 3.27Å; E171-R204 IonicContact OE1-CZ 3.16Å; E171-R204 IonicContact OE1-NH2 2.77Å; E171-R204 PolarHBondContact OE1-NH2 3.22Å
172	N	81.3	Confident	82.7	Confident	41 Å²	41	21.2 Å²	21.2	22%	0.219	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	3.5	173.7	-67.2	-64.5	0	0	0	112.8	R79 F82 S168 L169 F170 I174	R79-N172 WeakPolarHBondContact CA-O 3.47Å; F82-N172 HydrophobicContact CB-CB 4.22Å; F82-N172 HydrophobicContact CD2-CB 3.91Å; F82-N172 WeakPolarHBondContact CD2-ND2 3.35Å; F82-N172 VanDerWaalsContact CD2-OD1 3.23Å; F82-N172 WeakPolarHBondContact CD2-OD1 3.41Å; F82-N172 HydrophobicContact CE2-CB 4.33Å; F82-N172 WeakPolarHBondContact CE2-ND2 3.41Å; F82-N172 HydrophobicContact CG-CB 3.97Å; S168-N172 PolarHBondContact O-N 2.98Å; S168-N172 PolarHBondContact O-ND2 3.02Å; L169-N172 CarbonylContact O-C 3.47Å; L169-N172 PolarHBondContact O-N 3.17Å; F170-N172 VanDerWaalsContact C-N 3.27Å; F170-N172 PolarHBondContact O-N 2.78Å; N172-I174 HydrophobicContact CB-CD1 3.88Å; N172-I174 HydrophobicContact CB-CG1 4.28Å; N172-I174 PolarHBondContact O-N 3.05Å
173	G	80.8	Confident	80.9	Confident	7 Å²	7	22 Å²	22	7%	0.072	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	27.2	-177.6	0	0	0	0	0	113	R79 L169 F170 E171	R79-G173 PolarHBondContact NE-O 3.49Å; R79-G173 PolarHBondContact NH2-O 3.34Å; L169-G173 PolarHBondContact O-N 3.09Å; L169-G173 VanDerWaalsContact O-N 3.17Å; F170-G173 WeakPolarHBondContact O-CA 3.47Å; F170-G173 PolarHBondContact O-N 3.36Å; E171-G173 VanDerWaalsContact C-N 3.27Å
174	I	83.2	Confident	78.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.			trans	-103	142.5	-176	-69.4	164.8	0	0	0	110.9	R79 F82 L83 L169 N172 F387	R79-I174 HydrophobicContact CB-CG1 4.44Å; R79-I174 HydrophobicContact CG-CG1 3.92Å; F82-I174 HydrophobicContact CB-CD1 3.96Å; F82-I174 HydrophobicContact CD1-CD1 2.98Å; F82-I174 HydrophobicContact CD1-CG1 4.49Å; F82-I174 HydrophobicContact CE1-CD1 3.47Å; F82-I174 VanDerWaalsContact CE1-CD1 3.47Å; F82-I174 HydrophobicContact CG-CD1 3.64Å; F82-I174 HydrophobicContact CZ-CD1 4.48Å; L83-I174 HydrophobicContact CD2-CD1 4.23Å; L169-I174 CarbonylContact C-O 3.56Å; L169-I174 HydrophobicContact CD2-CB 4.21Å; L169-I174 HydrophobicContact CD2-CG2 3.87Å; L169-I174 PolarHBondContact O-N 2.89Å; N172-I174 HydrophobicContact CB-CD1 3.88Å; N172-I174 HydrophobicContact CB-CG1 4.28Å; N172-I174 PolarHBondContact O-N 3.05Å; I174-F387 HydrophobicContact CG2-CD1 3.43Å; I174-F387 VanDerWaalsContact CG2-CD1 3.43Å; I174-F387 HydrophobicContact CG2-CE1 3.45Å; I174-F387 VanDerWaalsContact CG2-CE1 3.45Å
175	N	88.8	Confident	76.7	Confident	2 Å²	2	22 Å²	22	1%	0.011	12%	0.115	C	C	.	.			trans	-86.4	150	175.9	-63.9	-28.2	0	0	0	111.2	N310 R311 L333 F387	N175-N310 WeakPolarHBondContact OD1-CA 3.5Å; N175-N310 PolarHBondContact OD1-OD1 3.42Å; N175-R311 WeakPolarHBondContact CA-O 3.39Å; N175-R311 HydrophobicContact CB-CB 4.3Å; N175-R311 VanDerWaalsContact CB-O 3.31Å; N175-R311 WeakPolarHBondContact CB-O 3.4Å; N175-R311 PolarHBondContact OD1-N 3.29Å; N175-L333 HydrophobicContact CB-CB 3.98Å; N175-L333 HydrophobicContact CB-CD2 3.6Å; N175-L333 HydrophobicContact CB-CG 4.36Å; N175-L333 PolarHBondContact ND2-O 2.99Å; N175-F387 WeakPolarHBondContact O-CD1 3.28Å
176	G	86	Confident	75.1	Confident	2 Å²	2	20.6 Å²	20.6	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.3	-171.8	0	0	0	0	0	114.8	R311 L312 L313 F387	G176-R311 PolarHBondContact N-O 3.1Å; G176-L312 WeakPolarHBondContact O-CA 3.27Å; G176-L313 PolarHBondContact O-N 2.78Å; G176-F387 CarbonylContact C-O 3.6Å; G176-F387 WeakPolarHBondContact CA-O 3.41Å
177	I	86.4	Confident	74	Confident	5 Å²	5	20.7 Å²	20.7	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.1	169.4	-49.3	-177.9	0	0	0	108.4	W165 A179 L313 T315 L333 F387 L388 L389	W165-I177 WeakPolarHBondContact CH2-O 3.49Å; I177-A179 HydrophobicContact CG2-CB 4.17Å; I177-A179 PolarHBondContact O-N 3.13Å; I177-L313 CarbonylContact C-O 3.59Å; I177-L313 WeakPolarHBondContact CA-O 3.46Å; I177-L313 HydrophobicContact CG1-CB 4.31Å; I177-L313 HydrophobicContact CG1-CD1 4.38Å; I177-L313 HydrophobicContact CG2-CB 4.28Å; I177-T315 HydrophobicContact CG2-CG2 3.81Å; I177-L333 HydrophobicContact CD1-CD1 3.66Å; I177-L333 HydrophobicContact CG1-CD1 3.45Å; I177-L333 VanDerWaalsContact CG1-CD1 3.45Å; I177-F387 PolarHBondContact N-O 3.33Å; I177-L388 HydrophobicContact CB-CB 4.5Å; I177-L388 HydrophobicContact CB-CG 4.42Å; I177-L388 WeakPolarHBondContact O-CA 3.42Å; I177-L389 PolarHBondContact O-N 3.44Å
178	L	86.8	Confident	73.5	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	94	168.9	-170.8	60.9	0	0	0	108.6	W165 M166 K189 Q192 L313 L314 T315 L389	W165-L178 HydrophobicContact CZ3-CD1 4.47Å; M166-L178 HydrophobicContact SD-CD2 4.39Å; L178-K189 HydrophobicContact CD2-CB 3.91Å; L178-K189 HydrophobicContact CD2-CD 4.3Å; L178-K189 HydrophobicContact CD2-CG 3.72Å; L178-K189 HydrophobicContact CG-CD 4.15Å; L178-K189 HydrophobicContact CG-CG 3.99Å; L178-Q192 HydrophobicContact CD2-CB 4.37Å; L178-L313 PolarHBondContact N-O 3.33Å; L178-L314 HydrophobicContact CB-CD2 3.72Å; L178-L314 HydrophobicContact CD2-CD2 3.97Å; L178-L314 HydrophobicContact CG-CD2 4.4Å; L178-T315 PolarHBondContact O-N 3.4Å; L178-T315 VanDerWaalsContact O-N 3.08Å; L178-T315 VanDerWaalsContact O-O 3.13Å; L178-L389 HydrophobicContact CD1-CB 4.18Å; L178-L389 HydrophobicContact CD1-CD2 3.87Å; L178-L389 HydrophobicContact CD1-CG 4.29Å
179	A	78	Confident	73.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.			trans	-98.7	19.9	-173.7	0	0	0	0	0	113.5	I177 E181 T315 P318 L388 L389 R390	I177-A179 HydrophobicContact CG2-CB 4.17Å; I177-A179 PolarHBondContact O-N 3.13Å; A179-E181 PolarHBondContact O-N 2.92Å; A179-T315 CarbonylContact C-O 3.47Å; A179-T315 VanDerWaalsContact CA-O 3.24Å; A179-T315 WeakPolarHBondContact CA-O 3.25Å; A179-T315 HydrophobicContact CB-CG2 4.35Å; A179-P318 HydrophobicContact CB-CB 3.71Å; A179-P318 HydrophobicContact CB-CG 3.92Å; A179-L388 HydrophobicContact CB-CD1 4.19Å; A179-L388 HydrophobicContact CB-CD2 3.87Å; A179-L388 HydrophobicContact CB-CG 3.82Å; A179-L389 CarbonylContact C-O 3.58Å; A179-L389 WeakPolarHBondContact CA-O 3.46Å; A179-L389 WeakPolarHBondContact CB-O 3.44Å; A179-L389 PolarHBondContact N-O 3.16Å; A179-R390 HydrophobicContact CB-CB 4.09Å; A179-R390 WeakPolarHBondContact O-CG 3.44Å
180	D	74.1	Confident	73.6	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.			trans	-49.7	137.1	173.1	-87.1	-8.1	0	0	0	111.6	M182 L187 K189 Q192 L389 R391	D180-M182 PolarHBondContact O-N 3.11Å; D180-L187 HydrophobicContact CB-CB 3.91Å; D180-L187 HydrophobicContact CB-CD1 3.7Å; D180-L187 HydrophobicContact CB-CG 4.28Å; D180-K189 HydrophobicContact CB-CD 4.08Å; D180-K189 HydrophobicContact CB-CG 3.93Å; D180-K189 PolarHBondContact O-NZ 2.99Å; D180-Q192 PolarHBondContact OD2-NE2 3.31Å; D180-Q192 VanDerWaalsContact OD2-NE2 3.17Å; D180-L389 PolarHBondContact N-O 3.48Å; D180-R391 WeakPolarHBondContact OD1-CB 3.35Å; D180-R391 IonicContact OD1-CZ 3.42Å; D180-R391 PolarHBondContact OD1-N 3.35Å; D180-R391 IonicContact OD1-NE 2.72Å; D180-R391 PolarHBondContact OD1-NE 2.8Å; D180-R391 IonicContact OD1-NH2 3.07Å; D180-R391 PolarHBondContact OD1-NH2 3.22Å; D180-R391 IonicContact OD2-CZ 2.93Å; D180-R391 IonicContact OD2-NE 2.81Å; D180-R391 IonicContact OD2-NH2 2.91Å; D180-R391 PolarHBondContact OD2-NH2 2.79Å
181	E	64.5	Low	73.8	Confident	62 Å²	62	19.9 Å²	19.9	29%	0.29	11%	0.114	S	C	.	.			trans	-52.2	131.4	-175.8	-160.3	-176.5	167.9	0	0	112.4	A179 V183 R391 L392 K393	A179-E181 PolarHBondContact O-N 2.92Å; E181-V183 VanDerWaalsContact C-N 3.29Å; E181-V183 HydrophobicContact CB-CG2 4.45Å; E181-V183 VanDerWaalsContact CD-CG2 3.46Å; E181-V183 HydrophobicContact CG-CG2 3.76Å; E181-V183 PolarHBondContact O-N 3.09Å; E181-V183 VanDerWaalsContact OE1-CG2 3.28Å; E181-V183 WeakPolarHBondContact OE1-CG2 3.06Å; E181-R391 PolarHBondContact N-O 3.46Å; E181-L392 WeakPolarHBondContact OE2-CA 3.44Å; E181-K393 PolarHBondContact OE2-N 3.3Å
182	M	55.7	Low	74.1	Confident	71 Å²	71	15.3 Å²	15.3	35%	0.35	9%	0.093	S	C	.	.			trans	-90.7	56	174	-76.4	-179.5	112.9	0	0	111.8	D180 E288 G316	D180-M182 PolarHBondContact O-N 3.11Å; M182-E288 VanDerWaalsContact CE-CD 3.43Å; M182-E288 HydrophobicContact CE-CG 4.2Å; M182-E288 WeakPolarHBondContact CE-OE1 3.48Å; M182-E288 VanDerWaalsContact SD-CD 3.57Å; M182-G316 WeakPolarHBondContact SD-CA 3.23Å; M182-G316 PolarHBondContact SD-N 3.07Å
183	V	49.4	Very low	74.6	Confident	18 Å²	18	13.4 Å²	13.4	11%	0.109	8%	0.082	C	C	.	.			trans	-68	140.8	156.4	-167.8	0	0	0	0	106	E181 S185 G186 K393 D605	E181-V183 VanDerWaalsContact C-N 3.29Å; E181-V183 HydrophobicContact CB-CG2 4.45Å; E181-V183 VanDerWaalsContact CD-CG2 3.46Å; E181-V183 HydrophobicContact CG-CG2 3.76Å; E181-V183 PolarHBondContact O-N 3.09Å; E181-V183 VanDerWaalsContact OE1-CG2 3.28Å; E181-V183 WeakPolarHBondContact OE1-CG2 3.06Å; V183-S185 PolarHBondContact O-N 3.04Å; V183-G186 PolarHBondContact O-N 2.68Å; V183-K393 HydrophobicContact CB-CD 3.82Å; V183-K393 HydrophobicContact CG1-CD 3.73Å; V183-K393 HydrophobicContact CG2-CB 4.11Å; V183-K393 HydrophobicContact CG2-CD 3.88Å; V183-D605 HydrophobicContact CG1-CB 4.33Å; V183-D605 VanDerWaalsContact CG1-OD2 3.32Å; V183-D605 WeakPolarHBondContact CG1-OD2 3.26Å
184	A	41.4	Very low	75.2	Confident	8 Å²	8	13 Å²	13	7%	0.066	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-8.4	-163.8	0	0	0	0	0	117.3	D605 R609	A184-D605 HydrophobicContact CB-CB 3.19Å; A184-D605 WeakPolarHBondContact CB-O 3.42Å; A184-R609 PolarHBondContact O-NE 3.05Å; A184-R609 PolarHBondContact O-NH1 3.16Å; A184-R609 PolarHBondContact O-NH2 3.22Å
185	S	47.8	Very low	75.6	Confident	14 Å²	14	13 Å²	13	10%	0.098	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-26	166	33.3	0	0	0	0	115.8	V183 R609 I610	V183-S185 PolarHBondContact O-N 3.04Å; S185-R609 PolarHBondContact O-NH2 2.83Å; S185-I610 VanDerWaalsContact CB-CG1 3.44Å
186	G	55	Low	75.6	Confident	19 Å²	19	13 Å²	13	20%	0.196	8%	0.078	C	C	.	.			trans	59.9	146.5	-164.5	0	0	0	0	0	111	V183 G188	V183-G186 PolarHBondContact O-N 2.68Å; G186-G188 PolarHBondContact O-N 3.12Å
187	L	65.8	Low	75.9	Confident	5 Å²	5	12.9 Å²	12.9	3%	0.026	8%	0.077	C	C	.	.	S	Bend	trans	-69.9	31.4	162.4	-70.5	178.4	0	0	0	111.1	Y158 D180 K189 Q192 R391 V396	Y158-L187 HydrophobicContact CD2-CB 4.46Å; Y158-L187 HydrophobicContact CD2-CD2 4.43Å; Y158-L187 HydrophobicContact CE2-CB 3.69Å; Y158-L187 HydrophobicContact CE2-CD2 3.84Å; Y158-L187 HydrophobicContact CE2-CG 4.33Å; Y158-L187 WeakPolarHBondContact CE2-O 3.47Å; D180-L187 HydrophobicContact CB-CB 3.91Å; D180-L187 HydrophobicContact CB-CD1 3.7Å; D180-L187 HydrophobicContact CB-CG 4.28Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 3.37Å; L187-Q192 PolarHBondContact O-NE2 3.3Å; L187-R391 HydrophobicContact CD1-CB 3.85Å; L187-R391 WeakPolarHBondContact CD1-O 3.29Å; L187-V396 HydrophobicContact CD1-CG2 4.38Å; L187-V396 HydrophobicContact CD2-CB 3.85Å; L187-V396 HydrophobicContact CD2-CG1 3.78Å; L187-V396 HydrophobicContact CD2-CG2 4.05Å
188	G	77.1	Confident	76	Confident	18 Å²	18	12.7 Å²	12.7	19%	0.186	8%	0.076	C	C	.	.	S	Bend	trans	59.1	38	-175.4	0	0	0	0	0	114.2	G186 T190 L191 Q192	G186-G188 PolarHBondContact O-N 3.12Å; G188-T190 PolarHBondContact O-N 3.28Å; G188-L191 PolarHBondContact O-N 3.45Å; G188-Q192 WeakPolarHBondContact O-CG 3.48Å; G188-Q192 PolarHBondContact O-N 2.79Å
189	K	85.4	Confident	76	Confident	10 Å²	10	13.7 Å²	13.7	4%	0.043	8%	0.08	C	C	.	.	H	α-helix	trans	-51.7	-42.6	176.9	-71.8	-168.7	-80.1	-77.9	0	112.4	L178 D180 L187 Q192 T193 L314	L178-K189 HydrophobicContact CD2-CB 3.91Å; L178-K189 HydrophobicContact CD2-CD 4.3Å; L178-K189 HydrophobicContact CD2-CG 3.72Å; L178-K189 HydrophobicContact CG-CD 4.15Å; L178-K189 HydrophobicContact CG-CG 3.99Å; D180-K189 HydrophobicContact CB-CD 4.08Å; D180-K189 HydrophobicContact CB-CG 3.93Å; D180-K189 PolarHBondContact O-NZ 2.99Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 3.37Å; K189-Q192 PolarHBondContact O-N 2.91Å; K189-T193 WeakPolarHBondContact O-CB 3.37Å; K189-T193 PolarHBondContact O-N 2.86Å; K189-T193 PolarHBondContact O-OG1 3.23Å; K189-L314 HydrophobicContact CD-CB 4.44Å
190	T	89	Confident	76.4	Confident	25 Å²	25	13.7 Å²	13.7	15%	0.153	8%	0.08	C	C	.	.	H	α-helix	trans	-59.8	-49.7	175	-55.4	0	0	0	0	111.4	G188 T193 I194 W223 E226	G188-T190 PolarHBondContact O-N 3.28Å; T190-T193 PolarHBondContact O-N 2.76Å; T190-I194 HydrophobicContact CG2-CD1 3.82Å; T190-I194 VanDerWaalsContact O-CG1 3.27Å; T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 2.95Å; T190-W223 HydrophobicContact CG2-CD2 3.9Å; T190-W223 HydrophobicContact CG2-CE3 3.69Å; T190-W223 HydrophobicContact CG2-CH2 3.97Å; T190-W223 HydrophobicContact CG2-CZ2 4.15Å; T190-W223 HydrophobicContact CG2-CZ3 3.74Å; T190-E226 HydrophobicContact CG2-CB 3.97Å; T190-E226 HydrophobicContact CG2-CG 4.05Å
191	L	89.7	Confident	76.9	Confident	15 Å²	15	16 Å²	16	8%	0.079	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-49.3	177	177.5	58.3	0	0	0	111.5	M155 G188 T193 I194 S195 W230	M155-L191 HydrophobicContact CG-CD2 4.09Å; M155-L191 HydrophobicContact CG-CG 4.33Å; G188-L191 PolarHBondContact O-N 3.45Å; L191-T193 PolarHBondContact O-N 3.37Å; L191-I194 PolarHBondContact O-N 3.34Å; L191-I194 VanDerWaalsContact O-N 3.16Å; L191-S195 WeakPolarHBondContact O-CB 3.44Å; L191-S195 PolarHBondContact O-N 3.06Å; L191-S195 PolarHBondContact O-OG 2.98Å; L191-W230 HydrophobicContact CD1-CB 4.07Å; L191-W230 HydrophobicContact CD1-CD2 3.67Å; L191-W230 HydrophobicContact CD1-CE3 4.18Å; L191-W230 HydrophobicContact CD1-CG 3.59Å
192	Q	90.5	Very high	77.8	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.7	-42.3	176.5	-67.6	178.3	58.1	0	0	111.3	M155 Q159 M166 L178 D180 L187 G188 K189 S195 L196	M155-Q192 HydrophobicContact CE-CG 4.46Å; Q159-Q192 HydrophobicContact CB-CG 3.96Å; Q159-Q192 HydrophobicContact CG-CG 4.36Å; M166-Q192 HydrophobicContact CE-CB 3.65Å; M166-Q192 VanDerWaalsContact CE-O 3.26Å; M166-Q192 WeakPolarHBondContact CE-O 3.38Å; L178-Q192 HydrophobicContact CD2-CB 4.37Å; D180-Q192 PolarHBondContact OD2-NE2 3.31Å; D180-Q192 VanDerWaalsContact OD2-NE2 3.17Å; L187-Q192 PolarHBondContact O-NE2 3.3Å; G188-Q192 WeakPolarHBondContact O-CG 3.48Å; G188-Q192 PolarHBondContact O-N 2.79Å; K189-Q192 PolarHBondContact O-N 2.91Å; Q192-S195 PolarHBondContact O-N 3.42Å; Q192-L196 PolarHBondContact O-N 3.05Å
193	T	92.3	Very high	78.9	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.6	-41.2	179	-53.2	0	0	0	0	112.5	K189 T190 L191 S195 L196 I197 W223 I285 L312	K189-T193 WeakPolarHBondContact O-CB 3.37Å; K189-T193 PolarHBondContact O-N 2.86Å; K189-T193 PolarHBondContact O-OG1 3.23Å; T190-T193 PolarHBondContact O-N 2.76Å; L191-T193 PolarHBondContact O-N 3.37Å; T193-S195 VanDerWaalsContact C-N 3.3Å; T193-S195 PolarHBondContact O-N 2.98Å; T193-L196 WeakPolarHBondContact O-CB 3.2Å; T193-L196 PolarHBondContact O-N 3.36Å; T193-I197 PolarHBondContact O-N 3.32Å; T193-I197 VanDerWaalsContact O-N 3.15Å; T193-W223 HydrophobicContact CG2-CH2 4.08Å; T193-W223 HydrophobicContact CG2-CZ3 4.27Å; T193-I285 HydrophobicContact CG2-CD1 3.51Å; T193-I285 HydrophobicContact CG2-CG1 4.06Å; T193-I285 HydrophobicContact CG2-CG2 3.97Å; T193-L312 HydrophobicContact CG2-CD2 3.89Å
194	I	92.5	Very high	80.1	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-40.7	174.8	-67.9	166.5	0	0	0	109.9	T190 L191 L196 I197 G198 W223 E226 F227 W230 C231	T190-I194 HydrophobicContact CG2-CD1 3.82Å; T190-I194 VanDerWaalsContact O-CG1 3.27Å; T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 2.95Å; L191-I194 PolarHBondContact O-N 3.34Å; L191-I194 VanDerWaalsContact O-N 3.16Å; I194-L196 VanDerWaalsContact C-N 3.32Å; I194-L196 PolarHBondContact O-N 2.97Å; I194-I197 PolarHBondContact O-N 3.39Å; I194-G198 PolarHBondContact O-N 3.02Å; I194-W223 HydrophobicContact CG1-CZ3 4.34Å; I194-E226 HydrophobicContact CD1-CB 3.56Å; I194-F227 HydrophobicContact CB-CD1 4.41Å; I194-F227 HydrophobicContact CB-CE1 4.3Å; I194-F227 HydrophobicContact CD1-CD1 4.33Å; I194-F227 HydrophobicContact CD1-CG 4.25Å; I194-F227 HydrophobicContact CG1-CD1 3.8Å; I194-F227 HydrophobicContact CG1-CD2 4.43Å; I194-F227 HydrophobicContact CG1-CE1 3.7Å; I194-F227 HydrophobicContact CG1-CE2 4.34Å; I194-F227 HydrophobicContact CG1-CG 4.15Å; I194-F227 HydrophobicContact CG1-CZ 3.96Å; I194-F227 HydrophobicContact CG2-CD1 3.96Å; I194-F227 HydrophobicContact CG2-CE1 4.22Å; I194-W230 HydrophobicContact CG2-CB 4.24Å; I194-C231 HydrophobicContact CG2-CB 3.99Å
195	S	90.7	Very high	80.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-36.3	176.5	-58.2	0	0	0	0	112.6	H149 I150 M155 L191 Q192 T193 G198 Y199	H149-S195 PolarHBondContact NE2-O 3.15Å; I150-S195 WeakPolarHBondContact CD1-OG 3.45Å; M155-S195 PolarHBondContact SD-OG 3.24Å; L191-S195 WeakPolarHBondContact O-CB 3.44Å; L191-S195 PolarHBondContact O-N 3.06Å; L191-S195 PolarHBondContact O-OG 2.98Å; Q192-S195 PolarHBondContact O-N 3.42Å; T193-S195 VanDerWaalsContact C-N 3.3Å; T193-S195 PolarHBondContact O-N 2.98Å; S195-G198 PolarHBondContact O-N 3.15Å; S195-Y199 VanDerWaalsContact O-CB 3.31Å; S195-Y199 WeakPolarHBondContact O-CB 3.25Å; S195-Y199 PolarHBondContact O-N 3.38Å
196	L	90.5	Very high	81.3	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-46.4	172.3	178.6	68.7	0	0	0	111.5	L163 M166 I167 Q192 T193 I194 Y199 M200 Y283 L312	L163-L196 HydrophobicContact CD1-CB 4.08Å; M166-L196 HydrophobicContact CB-CD1 4.06Å; M166-L196 HydrophobicContact CB-CD2 4.11Å; M166-L196 HydrophobicContact CE-CB 4.35Å; M166-L196 HydrophobicContact SD-CD2 4.21Å; I167-L196 HydrophobicContact CG1-CD1 4.06Å; Q192-L196 PolarHBondContact O-N 3.05Å; T193-L196 WeakPolarHBondContact O-CB 3.2Å; T193-L196 PolarHBondContact O-N 3.36Å; I194-L196 VanDerWaalsContact C-N 3.32Å; I194-L196 PolarHBondContact O-N 2.97Å; L196-Y199 PolarHBondContact O-N 3.34Å; L196-M200 HydrophobicContact CG-CE 4.34Å; L196-M200 WeakPolarHBondContact O-CG 3.23Å; L196-M200 PolarHBondContact O-N 3.33Å; L196-Y283 HydrophobicContact CD2-CE1 4.27Å; L196-Y283 HydrophobicContact CD2-CE2 4.33Å; L196-L312 HydrophobicContact CD2-CD2 4.4Å
197	I	91	Very high	81.6	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-41	177.1	-60.7	169.2	0	0	0	111	T193 I194 Y199 M200 K201 F227 I234 V261 I285	T193-I197 PolarHBondContact O-N 3.32Å; T193-I197 VanDerWaalsContact O-N 3.15Å; I194-I197 PolarHBondContact O-N 3.39Å; I197-Y199 VanDerWaalsContact C-N 3.35Å; I197-M200 HydrophobicContact CB-CE 4.25Å; I197-M200 HydrophobicContact CG1-CE 3.94Å; I197-M200 PolarHBondContact O-N 3.04Å; I197-K201 WeakPolarHBondContact O-CB 3.47Å; I197-K201 PolarHBondContact O-N 3.41Å; I197-F227 HydrophobicContact CD1-CE1 3.81Å; I197-F227 HydrophobicContact CD1-CZ 3.69Å; I197-I234 HydrophobicContact CB-CD1 4.2Å; I197-I234 HydrophobicContact CG2-CD1 3.72Å; I197-V261 HydrophobicContact CD1-CG2 4.16Å; I197-V261 HydrophobicContact CG2-CG2 3.93Å; I197-I285 HydrophobicContact CD1-CD1 3.68Å; I197-I285 HydrophobicContact CG1-CD1 4.28Å
198	G	89.1	Confident	81.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-45.5	174.4	0	0	0	0	0	111.9	I194 S195 M200 K201 H202	I194-G198 PolarHBondContact O-N 3.02Å; S195-G198 PolarHBondContact O-N 3.15Å; G198-M200 PolarHBondContact O-N 3.5Å; G198-K201 PolarHBondContact O-N 3.19Å; G198-H202 PolarHBondContact O-CD2 3.24Å; G198-H202 PolarHBondContact O-N 3.09Å
199	Y	87.6	Confident	81.2	Confident	21 Å²	21	34.2 Å²	34.2	8%	0.082	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-48.5	174.9	172.5	-95	0	0	0	111.3	L143 H149 I167 S195 L196 I197 K201 H202 Y203 R204	L143-Y199 HydrophobicContact CD2-CE2 4.3Å; H149-Y199 PolarHBondContact NE2-N 3.47Å; I167-Y199 HydrophobicContact CD1-CD1 3.98Å; I167-Y199 HydrophobicContact CD1-CD2 3.89Å; I167-Y199 HydrophobicContact CD1-CE1 4.16Å; I167-Y199 HydrophobicContact CD1-CE2 4.06Å; I167-Y199 HydrophobicContact CD1-CG 3.85Å; I167-Y199 HydrophobicContact CG1-CD1 3.9Å; I167-Y199 HydrophobicContact CG1-CE1 4.06Å; I167-Y199 HydrophobicContact CG1-CG 4.24Å; I167-Y199 HydrophobicContact CG2-CE1 3.86Å; S195-Y199 VanDerWaalsContact O-CB 3.31Å; S195-Y199 WeakPolarHBondContact O-CB 3.25Å; S195-Y199 PolarHBondContact O-N 3.38Å; L196-Y199 PolarHBondContact O-N 3.34Å; I197-Y199 VanDerWaalsContact C-N 3.35Å; Y199-K201 VanDerWaalsContact C-N 3.35Å; Y199-K201 PolarHBondContact O-N 2.74Å; Y199-H202 PolarHBondContact O-N 3.03Å; Y199-Y203 AromaticContact CD2-CD2 3.7Å; Y199-Y203 HydrophobicContact CD2-CD2 3.7Å; Y199-Y203 HydrophobicContact CD2-CE2 4.47Å; Y199-Y203 HydrophobicContact CD2-CG 4.19Å; Y199-Y203 HydrophobicContact CE2-CD2 4.11Å; Y199-Y203 HydrophobicContact CE2-CG 4.14Å; Y199-Y203 HydrophobicContact CG-CD2 4.43Å; Y199-Y203 WeakPolarHBondContact O-CB 3.27Å; Y199-Y203 PolarHBondContact O-N 2.86Å; Y199-R204 HydrophobicContact CE1-CG 4.4Å
200	M	86.4	Confident	81.4	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-43.7	176.9	-70.8	-174.1	-68	0	0	112.4	F170 L196 I197 G198 R204 H211 Y283	F170-M200 HydrophobicContact CD2-SD 4.28Å; F170-M200 HydrophobicContact CE1-CG 4.16Å; F170-M200 HydrophobicContact CE1-SD 4.4Å; F170-M200 HydrophobicContact CE2-SD 3.83Å; F170-M200 HydrophobicContact CZ-CG 4.15Å; F170-M200 HydrophobicContact CZ-SD 3.89Å; L196-M200 HydrophobicContact CG-CE 4.34Å; L196-M200 WeakPolarHBondContact O-CG 3.23Å; L196-M200 PolarHBondContact O-N 3.33Å; I197-M200 HydrophobicContact CB-CE 4.25Å; I197-M200 HydrophobicContact CG1-CE 3.94Å; I197-M200 PolarHBondContact O-N 3.04Å; G198-M200 PolarHBondContact O-N 3.5Å; M200-R204 CarbonylContact O-C 3.54Å; M200-R204 VanDerWaalsContact O-C 3.25Å; M200-R204 WeakPolarHBondContact O-CA 3.38Å; M200-R204 WeakPolarHBondContact O-CB 3.24Å; M200-R204 PolarHBondContact O-N 3.11Å; M200-R204 VanDerWaalsContact O-O 3.06Å; M200-H211 WeakPolarHBondContact CE-CE1 3.37Å; M200-Y283 HydrophobicContact CE-CD2 3.6Å; M200-Y283 HydrophobicContact CE-CE2 4.03Å; M200-Y283 HydrophobicContact CE-CG 4.4Å; M200-Y283 HydrophobicContact SD-CD2 3.61Å; M200-Y283 HydrophobicContact SD-CE2 3.69Å
201	K	84.4	Confident	81.6	Confident	48 Å²	48	33.8 Å²	33.8	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-45.3	-179	176.8	163.4	-171.6	167.8	0	113.1	I197 G198 Y199 S208 S233 I234 D260	I197-K201 WeakPolarHBondContact O-CB 3.47Å; I197-K201 PolarHBondContact O-N 3.41Å; G198-K201 PolarHBondContact O-N 3.19Å; Y199-K201 VanDerWaalsContact C-N 3.35Å; Y199-K201 PolarHBondContact O-N 2.74Å; K201-S208 WeakPolarHBondContact CG-OG 3.34Å; K201-S233 PolarHBondContact NZ-O 2.81Å; K201-I234 HydrophobicContact CD-CG1 3.95Å; K201-D260 IonicContact NZ-OD1 3.76Å; K201-D260 IonicContact NZ-OD2 3.39Å; K201-D260 PolarHBondContact NZ-OD2 3.39Å
202	H	82.4	Confident	81.8	Confident	85 Å²	85	33.1 Å²	33.1	39%	0.394	17%	0.169	S	C	.	.	H	α-helix	trans	-85.3	-36	-173.1	-72.2	-75	0	0	0	113.2	H149 G198 Y199 S233	H149-H202 WeakPolarHBondContact CB-CD2 3.37Å; G198-H202 PolarHBondContact O-CD2 3.24Å; G198-H202 PolarHBondContact O-N 3.09Å; Y199-H202 PolarHBondContact O-N 3.03Å; H202-S233 PolarHBondContact NE2-OG 2.86Å
203	Y	79.3	Confident	82	Confident	88 Å²	88	33.1 Å²	33.1	35%	0.345	17%	0.169	S	C	.	.	H	α-helix	trans	-104	-21	-173.3	-66.4	-78.8	0	0	0	114	E146 H149 Y199	E146-Y203 HydrophobicContact CB-CE1 4.29Å; E146-Y203 WeakPolarHBondContact O-CE2 3.31Å; E146-Y203 VanDerWaalsContact O-CZ 3.27Å; E146-Y203 PolarHBondContact O-OH 2.96Å; H149-Y203 AromaticContact ND1-CE2 3.93Å; Y199-Y203 AromaticContact CD2-CD2 3.7Å; Y199-Y203 HydrophobicContact CD2-CD2 3.7Å; Y199-Y203 HydrophobicContact CD2-CE2 4.47Å; Y199-Y203 HydrophobicContact CD2-CG 4.19Å; Y199-Y203 HydrophobicContact CE2-CD2 4.11Å; Y199-Y203 HydrophobicContact CE2-CG 4.14Å; Y199-Y203 HydrophobicContact CG-CD2 4.43Å; Y199-Y203 WeakPolarHBondContact O-CB 3.27Å; Y199-Y203 PolarHBondContact O-N 2.86Å
204	R	73.4	Confident	82.1	Confident	84 Å²	84	33.1 Å²	33.1	32%	0.317	17%	0.169	S	C	.	.			trans	-121	69.8	-179.1	-57.4	-67.7	-170.2	156.4	0.9	110.1	E171 Y199 M200 H206 M207	E171-R204 IonicContact OE1-CZ 3.16Å; E171-R204 IonicContact OE1-NH2 2.77Å; E171-R204 PolarHBondContact OE1-NH2 3.22Å; Y199-R204 HydrophobicContact CE1-CG 4.4Å; M200-R204 CarbonylContact O-C 3.54Å; M200-R204 VanDerWaalsContact O-C 3.25Å; M200-R204 WeakPolarHBondContact O-CA 3.38Å; M200-R204 WeakPolarHBondContact O-CB 3.24Å; M200-R204 PolarHBondContact O-N 3.11Å; M200-R204 VanDerWaalsContact O-O 3.06Å; R204-H206 PolarHBondContact O-N 2.72Å; R204-M207 PolarHBondContact O-N 2.95Å
205	S	56.8	Low	82.1	Confident	107 Å²	107	33.1 Å²	33.1	75%	0.748	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-16.5	-171.1	-42	0	0	0	0	116.2
206	H	59.5	Low	81.9	Confident	124 Å²	124	34.3 Å²	34.3	57%	0.574	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.9	179.9	61.5	-68	0	0	0	114	R204	R204-H206 PolarHBondContact O-N 2.72Å
207	M	59.3	Low	81.5	Confident	33 Å²	33	39.7 Å²	39.7	16%	0.163	20%	0.2	C	C	.	.	S	Bend	trans	-130.4	19.5	-171.9	-59.5	-165.4	179	0	0	114.6	F170 R204 S209	F170-M207 HydrophobicContact CZ-SD 3.8Å; R204-M207 PolarHBondContact O-N 2.95Å; M207-S209 PolarHBondContact O-N 2.82Å
208	S	64	Low	80.8	Confident	25 Å²	25	41.3 Å²	41.3	18%	0.175	21%	0.212	C	C	.	.			trans	-75.5	-14.8	-163.2	-175.2	0	0	0	0	117	K201 H211	K201-S208 WeakPolarHBondContact CG-OG 3.34Å; S208-H211 PolarHBondContact O-CD2 3.09Å; S208-H211 PolarHBondContact O-NE2 3.27Å; S208-H211 VanDerWaalsContact O-NE2 3.14Å
209	S	70.7	Confident	80.4	Confident	53 Å²	53	42.3 Å²	42.3	37%	0.371	22%	0.218	S	C	.	.			trans	-168.4	158.6	-174.6	55	0	0	0	0	111.6	M207	M207-S209 PolarHBondContact O-N 2.82Å
210	P	90	Very high	80.4	Confident	26 Å²	26	41.4 Å²	41.4	17%	0.169	22%	0.215	C	C	.	.			cis	-90.4	145.6	-1.7	34.1	-32.7	0	0	0	113.7	W259 Y279 W281 K282	P210-W259 HydrophobicContact CB-CH2 3.54Å; P210-W259 HydrophobicContact CB-CZ2 4.41Å; P210-W259 HydrophobicContact CB-CZ3 3.68Å; P210-Y279 HydrophobicContact CG-CD1 4.12Å; P210-Y279 HydrophobicContact CG-CG 4.49Å; P210-W281 HydrophobicContact CB-CE3 3.93Å; P210-W281 HydrophobicContact CB-CZ3 3.84Å; P210-W281 HydrophobicContact CG-CE3 4.11Å; P210-W281 HydrophobicContact CG-CZ3 4.38Å; P210-K282 PolarHBondContact O-N 2.96Å
211	H	93.1	Very high	80.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.7	172.8	-55.6	-70.1	0	0	0	111.5	M200 S208 D260 V261 C262 W281 Y283	M200-H211 WeakPolarHBondContact CE-CE1 3.37Å; S208-H211 PolarHBondContact O-CD2 3.09Å; S208-H211 PolarHBondContact O-NE2 3.27Å; S208-H211 VanDerWaalsContact O-NE2 3.14Å; H211-D260 PolarHBondContact N-O 3.2Å; H211-V261 HydrophobicContact CB-CG2 4.18Å; H211-V261 WeakPolarHBondContact O-CA 3.49Å; H211-C262 PolarHBondContact O-N 3.19Å; H211-W281 VanDerWaalsContact C-CE3 3.5Å; H211-W281 WeakPolarHBondContact O-CZ3 3Å; H211-Y283 PolarHBondContact ND1-N 2.93Å
212	L	94.7	Very high	80.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.9	178.9	-176.2	61.7	0	0	0	110.4	I214 C262 T264 F276 W281 Y283 V284 I285 F306	L212-I214 HydrophobicContact CD2-CD1 4Å; L212-I214 HydrophobicContact CD2-CG1 4.03Å; L212-I214 HydrophobicContact CG-CD1 4.45Å; L212-I214 HydrophobicContact CG-CG1 3.94Å; L212-C262 HydrophobicContact CD1-CB 4.28Å; L212-T264 HydrophobicContact CD1-CG2 3.96Å; L212-F276 HydrophobicContact CD1-CD1 4.01Å; L212-F276 HydrophobicContact CD1-CE1 3.75Å; L212-F276 HydrophobicContact CD1-CZ 4.5Å; L212-F276 HydrophobicContact CD2-CD1 4.48Å; L212-W281 HydrophobicContact CB-CD2 3.74Å; L212-W281 HydrophobicContact CB-CE3 3.47Å; L212-W281 VanDerWaalsContact CB-CE3 3.47Å; L212-W281 HydrophobicContact CB-CG 4.41Å; L212-W281 HydrophobicContact CB-CH2 4.1Å; L212-W281 HydrophobicContact CB-CZ2 4.42Å; L212-W281 HydrophobicContact CB-CZ3 3.62Å; L212-W281 HydrophobicContact CD1-CH2 4.02Å; L212-W281 HydrophobicContact CD1-CZ2 4.39Å; L212-W281 HydrophobicContact CD1-CZ3 4.28Å; L212-W281 HydrophobicContact CD2-CD2 4.43Å; L212-W281 HydrophobicContact CD2-CZ2 4.37Å; L212-W281 HydrophobicContact CG-CH2 4.5Å; L212-W281 HydrophobicContact CG-CZ3 4.47Å; L212-Y283 PolarHBondContact N-O 3.25Å; L212-V284 HydrophobicContact CB-CG2 4.37Å; L212-V284 HydrophobicContact CD2-CG1 4.41Å; L212-I285 PolarHBondContact O-N 3.31Å; L212-F306 HydrophobicContact CD2-CD2 3.92Å; L212-F306 HydrophobicContact CD2-CE2 4.03Å
213	V	95.1	Very high	80.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.7	171.3	-178.5	0	0	0	0	108.6	W223 F227 V261 C262 V263 T264 I285	V213-W223 HydrophobicContact CG1-CD2 4.01Å; V213-W223 HydrophobicContact CG1-CE3 4.06Å; V213-W223 HydrophobicContact CG1-CH2 4.49Å; V213-W223 HydrophobicContact CG1-CZ2 4.47Å; V213-W223 HydrophobicContact CG1-CZ3 4.29Å; V213-F227 HydrophobicContact CG2-CE2 4.3Å; V213-F227 HydrophobicContact CG2-CZ 4.25Å; V213-V261 HydrophobicContact CG2-CG1 3.74Å; V213-C262 PolarHBondContact N-O 3.43Å; V213-V263 HydrophobicContact CB-CG1 4.37Å; V213-V263 HydrophobicContact CB-CG2 4.33Å; V213-V263 HydrophobicContact CG1-CG1 4.35Å; V213-V263 CarbonylContact O-C 3.57Å; V213-V263 WeakPolarHBondContact O-CA 3.46Å; V213-T264 PolarHBondContact O-N 3.23Å; V213-I285 CarbonylContact C-O 3.59Å; V213-I285 WeakPolarHBondContact CA-O 3.06Å; V213-I285 HydrophobicContact CG1-CG2 4.4Å; V213-I285 HydrophobicContact CG2-CB 4.22Å; V213-I285 HydrophobicContact CG2-CD1 4Å
214	I	94.2	Very high	81.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.1	175.4	-51.2	178.8	0	0	0	107.9	L212 T264 Y266 A269 V284 I285 I286 D287 V303 F306	L212-I214 HydrophobicContact CD2-CD1 4Å; L212-I214 HydrophobicContact CD2-CG1 4.03Å; L212-I214 HydrophobicContact CG-CD1 4.45Å; L212-I214 HydrophobicContact CG-CG1 3.94Å; I214-T264 WeakPolarHBondContact CA-O 3.39Å; I214-T264 HydrophobicContact CG1-CG2 4.13Å; I214-Y266 HydrophobicContact CG2-CD1 3.4Å; I214-Y266 HydrophobicContact CG2-CE1 3.77Å; I214-Y266 HydrophobicContact CG2-CG 4.28Å; I214-A269 HydrophobicContact CD1-CB 4.31Å; I214-V284 HydrophobicContact CD1-CG1 4.46Å; I214-I285 PolarHBondContact N-O 2.87Å; I214-I286 HydrophobicContact CB-CG1 4.45Å; I214-I286 HydrophobicContact CD1-CG1 4.45Å; I214-I286 WeakPolarHBondContact O-CA 3.23Å; I214-D287 PolarHBondContact O-N 3.27Å; I214-V303 HydrophobicContact CD1-CG1 4.16Å; I214-V303 HydrophobicContact CD1-CG2 3.8Å; I214-F306 HydrophobicContact CD1-CE2 4.45Å
215	C	91.5	Very high	82.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	163	-177.3	61.4	0	0	0	0	112.6	T264 S265 D287	C215-T264 PolarHBondContact N-O 3.32Å; C215-S265 VanDerWaalsContact O-CA 3.32Å; C215-S265 WeakPolarHBondContact O-CA 3.26Å; C215-D287 HydrophobicContact CB-CB 3.65Å
216	P	86.3	Confident	83.7	Confident	25 Å²	25	35.7 Å²	35.7	16%	0.162	19%	0.187	C	C	.	.			trans	-54.6	143.1	170.8	-24.2	30.8	0	0	0	112.1	S218 T219 L220 Y266 E288	P216-S218 PolarHBondContact O-N 3.19Å; P216-T219 WeakPolarHBondContact CD-OG1 3.5Å; P216-T219 PolarHBondContact O-N 2.66Å; P216-T219 PolarHBondContact O-OG1 3.36Å; P216-L220 PolarHBondContact O-N 3.18Å; P216-Y266 HydrophobicContact CB-CE2 4.35Å; P216-Y266 HydrophobicContact CG-CE2 3.94Å; P216-E288 HydrophobicContact CG-CB 3.93Å; P216-E288 HydrophobicContact CG-CG 3.88Å
217	K	82.1	Confident	85.2	Confident	113 Å²	113	29.8 Å²	29.8	49%	0.491	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.4	177.6	-171.6	177.1	179.3	-178.2	0	113	I240	K217-I240 HydrophobicContact CG-CD1 4.19Å
218	S	75.9	Confident	86.7	Confident	35 Å²	35	32.1 Å²	32.1	25%	0.245	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-29.3	178	57.3	0	0	0	0	114.6	P216 L578	P216-S218 PolarHBondContact O-N 3.19Å; S218-L578 WeakPolarHBondContact CB-O 3.47Å; S218-L578 PolarHBondContact OG-O 3.13Å
219	T	82.7	Confident	87.8	Confident	21 Å²	21	37.1 Å²	37.1	13%	0.129	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-8.6	-178.9	61.8	0	0	0	0	113.1	P216 R221 N222 W223	P216-T219 WeakPolarHBondContact CD-OG1 3.5Å; P216-T219 PolarHBondContact O-N 2.66Å; P216-T219 PolarHBondContact O-OG1 3.36Å; T219-R221 PolarHBondContact O-N 3.06Å; T219-N222 WeakPolarHBondContact O-CA 3.48Å; T219-N222 WeakPolarHBondContact O-CB 3.4Å; T219-N222 PolarHBondContact O-N 3.23Å; T219-W223 PolarHBondContact O-N 2.91Å
220	L	87.2	Confident	88.7	Confident	2 Å²	2	36 Å²	36	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-54.4	-50.9	-177.1	-168.4	155.2	0	0	0	113.3	P216 N222 W223 V224 A238 I240 V263	P216-L220 PolarHBondContact O-N 3.18Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 3.49Å; L220-W223 WeakPolarHBondContact O-CB 3.44Å; L220-W223 PolarHBondContact O-N 2.9Å; L220-V224 HydrophobicContact CD2-CG2 4.36Å; L220-V224 WeakPolarHBondContact O-CG2 3.19Å; L220-V224 PolarHBondContact O-N 3.15Å; L220-V224 VanDerWaalsContact O-N 3.15Å; L220-A238 HydrophobicContact CD2-CB 3.83Å; L220-I240 HydrophobicContact CD1-CD1 4.43Å; L220-V263 HydrophobicContact CG-CG1 3.99Å
221	R	85.1	Confident	88.6	Confident	71 Å²	71	34.7 Å²	34.7	27%	0.268	17%	0.167	S	C	.	.	H	α-helix	trans	-62.7	-37.2	176.2	-76.8	-172.8	179.9	158	-1.2	112.3	T219 V224 N225 H549 E550	T219-R221 PolarHBondContact O-N 3.06Å; R221-V224 PolarHBondContact O-N 3.03Å; R221-N225 WeakPolarHBondContact O-CB 3.44Å; R221-N225 VanDerWaalsContact O-CG 3.24Å; R221-N225 PolarHBondContact O-N 3.42Å; R221-H549 WeakPolarHBondContact CD-NE2 3.26Å; R221-H549 WeakPolarHBondContact CG-NE2 3.45Å; R221-H549 PolarHBondContact NE-CD2 3.07Å; R221-H549 PolarHBondContact NE-NE2 2.96Å; R221-H549 PolarHBondContact NH1-CD2 3.16Å; R221-H549 VanDerWaalsContact NH1-CD2 3.3Å; R221-H549 PolarHBondContact NH1-O 3.49Å; R221-E550 VanDerWaalsContact NH2-CG 3.3Å
222	N	85.8	Confident	88.3	Confident	71 Å²	71	37.8 Å²	37.8	38%	0.38	19%	0.187	S	C	.	.	H	α-helix	trans	-61.7	-46.5	175.6	-170.6	74	0	0	0	110.8	T219 L220 V224 N225 E226	T219-N222 WeakPolarHBondContact O-CA 3.48Å; T219-N222 WeakPolarHBondContact O-CB 3.4Å; T219-N222 PolarHBondContact O-N 3.23Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 3.49Å; N222-V224 VanDerWaalsContact C-N 3.35Å; N222-V224 PolarHBondContact O-N 3.03Å; N222-N225 PolarHBondContact O-N 3.37Å; N222-E226 PolarHBondContact ND2-OE1 3.17Å; N222-E226 WeakPolarHBondContact O-CB 3.3Å; N222-E226 WeakPolarHBondContact O-CG 3.47Å; N222-E226 PolarHBondContact O-N 3.18Å
223	W	90.7	Very high	88	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-54.5	-48.7	175	-86.8	97.8	0	0	0	112.4	T190 T193 I194 V213 T219 L220 N225 E226 F227 V263 D287 L314	T190-W223 HydrophobicContact CG2-CD2 3.9Å; T190-W223 HydrophobicContact CG2-CE3 3.69Å; T190-W223 HydrophobicContact CG2-CH2 3.97Å; T190-W223 HydrophobicContact CG2-CZ2 4.15Å; T190-W223 HydrophobicContact CG2-CZ3 3.74Å; T193-W223 HydrophobicContact CG2-CH2 4.08Å; T193-W223 HydrophobicContact CG2-CZ3 4.27Å; I194-W223 HydrophobicContact CG1-CZ3 4.34Å; V213-W223 HydrophobicContact CG1-CD2 4.01Å; V213-W223 HydrophobicContact CG1-CE3 4.06Å; V213-W223 HydrophobicContact CG1-CH2 4.49Å; V213-W223 HydrophobicContact CG1-CZ2 4.47Å; V213-W223 HydrophobicContact CG1-CZ3 4.29Å; T219-W223 PolarHBondContact O-N 2.91Å; L220-W223 WeakPolarHBondContact O-CB 3.44Å; L220-W223 PolarHBondContact O-N 2.9Å; W223-N225 PolarHBondContact O-N 2.85Å; W223-E226 PolarHBondContact O-N 3.22Å; W223-F227 HydrophobicContact CE3-CD2 4.35Å; W223-F227 AromaticContact CE3-CE2 3.69Å; W223-F227 HydrophobicContact CE3-CE2 3.69Å; W223-F227 HydrophobicContact CE3-CZ 4.33Å; W223-F227 HydrophobicContact CZ3-CE2 4.22Å; W223-F227 HydrophobicContact CZ3-CZ 4.42Å; W223-F227 WeakPolarHBondContact O-CD2 3.32Å; W223-F227 PolarHBondContact O-N 3.18Å; W223-V263 HydrophobicContact CB-CG1 4.03Å; W223-D287 HydrophobicContact CZ2-CB 4.23Å; W223-D287 PolarHBondContact NE1-OD2 3.27Å; W223-L314 HydrophobicContact CH2-CD1 3.64Å; W223-L314 HydrophobicContact CZ2-CD1 3.59Å
224	V	90.5	Very high	87.7	Confident	25 Å²	25	40 Å²	40	15%	0.152	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-45.3	178.1	177.1	0	0	0	0	111.5	L220 R221 N222 E226 F227 N228 A238 V263	L220-V224 HydrophobicContact CD2-CG2 4.36Å; L220-V224 WeakPolarHBondContact O-CG2 3.19Å; L220-V224 PolarHBondContact O-N 3.15Å; L220-V224 VanDerWaalsContact O-N 3.15Å; R221-V224 PolarHBondContact O-N 3.03Å; N222-V224 VanDerWaalsContact C-N 3.35Å; N222-V224 PolarHBondContact O-N 3.03Å; V224-E226 PolarHBondContact O-N 3.49Å; V224-F227 PolarHBondContact O-N 2.86Å; V224-N228 WeakPolarHBondContact O-CB 3.43Å; V224-N228 VanDerWaalsContact O-CG 3.3Å; V224-N228 PolarHBondContact O-N 3.21Å; V224-N228 PolarHBondContact O-ND2 3.44Å; V224-A238 HydrophobicContact CG2-CB 3.99Å; V224-V263 HydrophobicContact CG2-CB 4.39Å; V224-V263 HydrophobicContact CG2-CG2 4.35Å
225	N	88.1	Confident	87.5	Confident	82 Å²	82	45.9 Å²	45.9	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-63.6	-40.8	178.1	-71	-10.4	0	0	0	112	R221 N222 W223 N228 R229	R221-N225 WeakPolarHBondContact O-CB 3.44Å; R221-N225 VanDerWaalsContact O-CG 3.24Å; R221-N225 PolarHBondContact O-N 3.42Å; N222-N225 PolarHBondContact O-N 3.37Å; W223-N225 PolarHBondContact O-N 2.85Å; N225-N228 PolarHBondContact O-N 3.23Å; N225-R229 WeakPolarHBondContact O-CB 3.5Å; N225-R229 PolarHBondContact O-N 3.39Å
226	E	90.3	Very high	87.5	Confident	41 Å²	41	47.2 Å²	47.2	19%	0.192	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-41	178.5	-62.7	-89.3	-148.1	0	0	110.8	T190 I194 N222 W223 V224 R229 W230	T190-E226 HydrophobicContact CG2-CB 3.97Å; T190-E226 HydrophobicContact CG2-CG 4.05Å; I194-E226 HydrophobicContact CD1-CB 3.56Å; N222-E226 PolarHBondContact ND2-OE1 3.17Å; N222-E226 WeakPolarHBondContact O-CB 3.3Å; N222-E226 WeakPolarHBondContact O-CG 3.47Å; N222-E226 PolarHBondContact O-N 3.18Å; W223-E226 PolarHBondContact O-N 3.22Å; V224-E226 PolarHBondContact O-N 3.49Å; E226-R229 PolarHBondContact O-N 3.08Å; E226-W230 WeakPolarHBondContact O-CB 3.22Å; E226-W230 PolarHBondContact O-N 3.12Å; E226-W230 PolarHBondContact OE2-NE1 3.19Å
227	F	91.8	Very high	87.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-49.1	172.5	-85.6	-71.8	0	0	0	111.7	I194 I197 V213 W223 V224 R229 C231 I234 T236 V261 V263	I194-F227 HydrophobicContact CB-CD1 4.41Å; I194-F227 HydrophobicContact CB-CE1 4.3Å; I194-F227 HydrophobicContact CD1-CD1 4.33Å; I194-F227 HydrophobicContact CD1-CG 4.25Å; I194-F227 HydrophobicContact CG1-CD1 3.8Å; I194-F227 HydrophobicContact CG1-CD2 4.43Å; I194-F227 HydrophobicContact CG1-CE1 3.7Å; I194-F227 HydrophobicContact CG1-CE2 4.34Å; I194-F227 HydrophobicContact CG1-CG 4.15Å; I194-F227 HydrophobicContact CG1-CZ 3.96Å; I194-F227 HydrophobicContact CG2-CD1 3.96Å; I194-F227 HydrophobicContact CG2-CE1 4.22Å; I197-F227 HydrophobicContact CD1-CE1 3.81Å; I197-F227 HydrophobicContact CD1-CZ 3.69Å; V213-F227 HydrophobicContact CG2-CE2 4.3Å; V213-F227 HydrophobicContact CG2-CZ 4.25Å; W223-F227 HydrophobicContact CE3-CD2 4.35Å; W223-F227 AromaticContact CE3-CE2 3.69Å; W223-F227 HydrophobicContact CE3-CE2 3.69Å; W223-F227 HydrophobicContact CE3-CZ 4.33Å; W223-F227 HydrophobicContact CZ3-CE2 4.22Å; W223-F227 HydrophobicContact CZ3-CZ 4.42Å; W223-F227 WeakPolarHBondContact O-CD2 3.32Å; W223-F227 PolarHBondContact O-N 3.18Å; V224-F227 PolarHBondContact O-N 2.86Å; F227-R229 VanDerWaalsContact C-N 3.25Å; F227-R229 PolarHBondContact O-N 3.41Å; F227-C231 CarbonylContact O-C 3.49Å; F227-C231 WeakPolarHBondContact O-CA 3.34Å; F227-C231 PolarHBondContact O-N 3.46Å; F227-I234 HydrophobicContact CD1-CD1 4.25Å; F227-I234 HydrophobicContact CD1-CG2 4.21Å; F227-I234 HydrophobicContact CE1-CD1 4.32Å; F227-I234 HydrophobicContact CE1-CG2 4.44Å; F227-T236 HydrophobicContact CB-CG2 3.37Å; F227-T236 HydrophobicContact CD1-CG2 3.87Å; F227-T236 HydrophobicContact CD2-CG2 3.8Å; F227-T236 HydrophobicContact CG-CG2 3.44Å; F227-T236 VanDerWaalsContact CG-CG2 3.44Å; F227-V261 HydrophobicContact CE1-CG1 4.42Å; F227-V261 HydrophobicContact CE1-CG2 4.07Å; F227-V261 HydrophobicContact CE2-CG1 4Å; F227-V261 HydrophobicContact CZ-CB 4.43Å; F227-V261 HydrophobicContact CZ-CG1 3.79Å; F227-V261 HydrophobicContact CZ-CG2 4.22Å; F227-V263 HydrophobicContact CD2-CG2 4.4Å; F227-V263 HydrophobicContact CE2-CG2 4.17Å
228	N	90.8	Very high	88.3	Confident	82 Å²	82	42.7 Å²	42.7	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-31.9	179.1	-70.7	-22.5	0	0	0	112.3	V224 N225 P232	V224-N228 WeakPolarHBondContact O-CB 3.43Å; V224-N228 VanDerWaalsContact O-CG 3.3Å; V224-N228 PolarHBondContact O-N 3.21Å; V224-N228 PolarHBondContact O-ND2 3.44Å; N225-N228 PolarHBondContact O-N 3.23Å; N228-P232 WeakPolarHBondContact O-CG 3.35Å
229	R	88.1	Confident	88.9	Confident	131 Å²	131	41 Å²	41	49%	0.494	21%	0.205	S	C	.	.	H	α-helix	trans	-76.4	-54.6	178.9	179.8	-177.9	177.9	175.9	2.2	112.5	N152 N225 E226 F227	N152-R229 PolarHBondContact ND2-O 3.03Å; N225-R229 WeakPolarHBondContact O-CB 3.5Å; N225-R229 PolarHBondContact O-N 3.39Å; E226-R229 PolarHBondContact O-N 3.08Å; F227-R229 VanDerWaalsContact C-N 3.25Å; F227-R229 PolarHBondContact O-N 3.41Å
230	W	89.4	Confident	89.1	Confident	28 Å²	28	42.8 Å²	42.8	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-85.9	-36.8	-169.8	-62.4	116.8	0	0	0	112.7	I150 K151 N152 L191 I194 E226	I150-W230 CarbonylContact C-O 3.54Å; I150-W230 WeakPolarHBondContact CA-O 3.49Å; I150-W230 HydrophobicContact CD1-CB 4.39Å; I150-W230 HydrophobicContact CG2-CE3 3.91Å; K151-W230 PolarHBondContact N-O 2.98Å; K151-W230 VanDerWaalsContact O-CE3 3.29Å; N152-W230 WeakPolarHBondContact O-CZ3 3.49Å; L191-W230 HydrophobicContact CD1-CB 4.07Å; L191-W230 HydrophobicContact CD1-CD2 3.67Å; L191-W230 HydrophobicContact CD1-CE3 4.18Å; L191-W230 HydrophobicContact CD1-CG 3.59Å; I194-W230 HydrophobicContact CG2-CB 4.24Å; E226-W230 WeakPolarHBondContact O-CB 3.22Å; E226-W230 PolarHBondContact O-N 3.12Å; E226-W230 PolarHBondContact OE2-NE1 3.19Å
231	C	87.7	Confident	88.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.			trans	-137.3	73.9	179.5	-158.2	0	0	0	0	111.8	I194 F227 S233 I234	I194-C231 HydrophobicContact CG2-CB 3.99Å; F227-C231 CarbonylContact O-C 3.49Å; F227-C231 WeakPolarHBondContact O-CA 3.34Å; F227-C231 PolarHBondContact O-N 3.46Å; C231-S233 PolarHBondContact O-N 3.34Å; C231-S233 PolarHBondContact SG-OG 3.38Å; C231-I234 HydrophobicContact CB-CD1 3.85Å; C231-I234 HydrophobicContact CB-CG1 4.25Å; C231-I234 PolarHBondContact O-N 3.14Å
232	P	87.3	Confident	89	Confident	65 Å²	65	43.2 Å²	43.2	42%	0.422	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-15.5	179.9	-16.8	24.4	0	0	0	114.3	K151 N228 I234	K151-P232 HydrophobicContact CD-CG 4.2Å; N228-P232 WeakPolarHBondContact O-CG 3.35Å; P232-I234 PolarHBondContact O-N 3.07Å
233	S	86.7	Confident	89.1	Confident	42 Å²	42	45.4 Å²	45.4	29%	0.294	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.9	175.5	71.4	0	0	0	0	112.7	K201 H202 C231	K201-S233 PolarHBondContact NZ-O 2.81Å; H202-S233 PolarHBondContact NE2-OG 2.86Å; C231-S233 PolarHBondContact O-N 3.34Å; C231-S233 PolarHBondContact SG-OG 3.38Å
234	I	88.7	Confident	89	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	27%	0.269	C	S	.	.	S	Bend	trans	-84.7	120.3	-178.2	-62.8	172.8	0	0	0	109	I197 K201 F227 C231 P232 T236 D260 V261	I197-I234 HydrophobicContact CB-CD1 4.2Å; I197-I234 HydrophobicContact CG2-CD1 3.72Å; K201-I234 HydrophobicContact CD-CG1 3.95Å; F227-I234 HydrophobicContact CD1-CD1 4.25Å; F227-I234 HydrophobicContact CD1-CG2 4.21Å; F227-I234 HydrophobicContact CE1-CD1 4.32Å; F227-I234 HydrophobicContact CE1-CG2 4.44Å; C231-I234 HydrophobicContact CB-CD1 3.85Å; C231-I234 HydrophobicContact CB-CG1 4.25Å; C231-I234 PolarHBondContact O-N 3.14Å; P232-I234 PolarHBondContact O-N 3.07Å; I234-T236 HydrophobicContact CG2-CG2 3.96Å; I234-T236 PolarHBondContact O-N 3.4Å; I234-D260 HydrophobicContact CG2-CB 3.98Å; I234-V261 HydrophobicContact CG2-CB 4.22Å; I234-V261 HydrophobicContact CG2-CG2 3.47Å; I234-V261 VanDerWaalsContact CG2-CG2 3.47Å
235	R	90.4	Very high	88.9	Confident	126 Å²	126	55.8 Å²	55.8	48%	0.475	29%	0.286	S	S	.	.			trans	-78.5	109.5	174.1	-66.8	-179.1	-62.9	175.6	3.2	109.4	Q258 D260 V261	R235-Q258 PolarHBondContact NE-O 3.46Å; R235-Q258 PolarHBondContact NH1-O 3.23Å; R235-D260 PolarHBondContact N-OD2 2.89Å; R235-D260 IonicContact NE-OD1 2.93Å; R235-D260 IonicContact NH2-OD1 2.73Å; R235-D260 PolarHBondContact O-N 3.38Å; R235-V261 PolarHBondContact O-N 3.05Å
236	T	92.2	Very high	89	Confident	27 Å²	27	53 Å²	53	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.7	179.7	61.3	0	0	0	0	111.8	F227 I234 V261	F227-T236 HydrophobicContact CB-CG2 3.37Å; F227-T236 HydrophobicContact CD1-CG2 3.87Å; F227-T236 HydrophobicContact CD2-CG2 3.8Å; F227-T236 HydrophobicContact CG-CG2 3.44Å; F227-T236 VanDerWaalsContact CG-CG2 3.44Å; I234-T236 HydrophobicContact CG2-CG2 3.96Å; I234-T236 PolarHBondContact O-N 3.4Å; T236-V261 WeakPolarHBondContact CA-O 3.4Å; T236-V261 HydrophobicContact CG2-CB 4.22Å
237	V	92.1	Very high	88.9	Confident	16 Å²	16	57.5 Å²	57.5	10%	0.097	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127	177.5	176	0	0	0	0	108.8	L249 I253 I254 W259 V261 C262 V263	V237-L249 HydrophobicContact CG1-CD1 4.23Å; V237-L249 HydrophobicContact CG1-CD2 3.75Å; V237-L249 HydrophobicContact CG1-CG 4.23Å; V237-I253 HydrophobicContact CG1-CG2 4.17Å; V237-I253 HydrophobicContact CG2-CG2 3.62Å; V237-I254 HydrophobicContact CG1-CG1 4.45Å; V237-W259 HydrophobicContact CB-CB 4.4Å; V237-W259 HydrophobicContact CG2-CB 3.47Å; V237-W259 VanDerWaalsContact CG2-CB 3.47Å; V237-W259 HydrophobicContact CG2-CG 3.97Å; V237-V261 PolarHBondContact N-O 3.01Å; V237-C262 CarbonylContact O-C 3.56Å; V237-C262 WeakPolarHBondContact O-CA 3.43Å; V237-V263 PolarHBondContact O-N 3.04Å
238	A	92.1	Very high	88.8	Confident	28 Å²	28	63.5 Å²	63.5	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.8	175.5	0	0	0	0	0	110.3	L220 V224 I240 V263	L220-A238 HydrophobicContact CD2-CB 3.83Å; V224-A238 HydrophobicContact CG2-CB 3.99Å; A238-I240 HydrophobicContact CB-CG2 4.45Å; A238-I240 PolarHBondContact O-N 2.88Å; A238-V263 WeakPolarHBondContact CA-O 3.46Å
239	L	90.2	Very high	88.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	91.6	171.7	-173.5	64.1	0	0	0	109.3	R246 L249 I250 I254 V263 T264 M268 E272 F276	L239-R246 HydrophobicContact CD1-CB 4.41Å; L239-R246 HydrophobicContact CD1-CG 4.28Å; L239-L249 HydrophobicContact CB-CD2 4.42Å; L239-L249 HydrophobicContact CD1-CD2 3.53Å; L239-I250 HydrophobicContact CD1-CD1 4.32Å; L239-I250 HydrophobicContact CD1-CG1 3.99Å; L239-I254 HydrophobicContact CB-CD1 4.3Å; L239-I254 HydrophobicContact CD1-CD1 3.83Å; L239-I254 HydrophobicContact CD2-CD1 4.06Å; L239-I254 HydrophobicContact CG-CD1 4.27Å; L239-V263 PolarHBondContact N-O 3.3Å; L239-T264 PolarHBondContact O-OG1 3.47Å; L239-M268 HydrophobicContact CD2-CG 3.92Å; L239-M268 HydrophobicContact CG-CG 3.85Å; L239-E272 HydrophobicContact CD2-CB 4.07Å; L239-E272 HydrophobicContact CD2-CG 4.01Å; L239-F276 HydrophobicContact CD2-CE1 4.23Å; L239-F276 HydrophobicContact CD2-CE2 4.04Å; L239-F276 HydrophobicContact CD2-CZ 3.48Å; L239-F276 VanDerWaalsContact CD2-CZ 3.48Å
240	I	86.2	Confident	88.7	Confident	57 Å²	57	55.8 Å²	55.8	29%	0.292	28%	0.279	S	S	.	.			trans	-145.6	158.4	174.4	-169.5	166.9	0	0	0	108.3	K217 L220 A238	K217-I240 HydrophobicContact CG-CD1 4.19Å; L220-I240 HydrophobicContact CD1-CD1 4.43Å; A238-I240 HydrophobicContact CB-CG2 4.45Å; A238-I240 PolarHBondContact O-N 2.88Å
241	G	83.6	Confident	88.6	Confident	26 Å²	26	59.1 Å²	59.1	27%	0.268	30%	0.299	S	S	.	.	S	Bend	trans	131.5	-176.3	173	0	0	0	0	0	114	E245 R246	G241-E245 WeakPolarHBondContact CA-OE2 3.42Å; G241-R246 PolarHBondContact O-NH1 2.86Å
242	S	85.9	Confident	88.7	Confident	57 Å²	57	65.9 Å²	65.9	40%	0.399	33%	0.331	S	S	.	.			trans	-64.1	166.5	173	75.8	0	0	0	0	111.2	E244 E245 R246	S242-E244 PolarHBondContact O-N 3.36Å; S242-E245 PolarHBondContact N-OE2 2.87Å; S242-E245 PolarHBondContact O-N 3.3Å; S242-E245 WeakPolarHBondContact OG-CG 3.45Å; S242-E245 PolarHBondContact OG-N 3.39Å; S242-R246 WeakPolarHBondContact O-CB 3.45Å; S242-R246 VanDerWaalsContact O-CG 3.22Å; S242-R246 WeakPolarHBondContact O-CG 3.43Å; S242-R246 PolarHBondContact O-N 3.48Å
243	Q	87.8	Confident	88.6	Confident	117 Å²	117	65.8 Å²	65.8	55%	0.547	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-32.2	-178.8	-168.7	-176.7	10.7	0	0	112.9	R247	Q243-R247 VanDerWaalsContact CD-NH2 3.28Å; Q243-R247 WeakPolarHBondContact O-CG 3.33Å; Q243-R247 PolarHBondContact O-N 3.07Å; Q243-R247 VanDerWaalsContact O-N 3.11Å
244	E	88.9	Confident	88.5	Confident	131 Å²	131	64 Å²	64	61%	0.612	31%	0.313	S	S	*	.	H	α-helix	trans	-74	-46.2	178.2	-63.4	-176.2	-179.1	0	0	112.3	S242 R246 R247 K248	S242-E244 PolarHBondContact O-N 3.36Å; E244-R246 VanDerWaalsContact C-N 3.26Å; E244-R246 PolarHBondContact O-N 3.21Å; E244-R247 PolarHBondContact O-N 3.47Å; E244-K248 WeakPolarHBondContact O-CG 3.41Å; E244-K248 PolarHBondContact O-N 3.25Å
245	E	88.4	Confident	88.4	Confident	113 Å²	113	67.1 Å²	67.1	53%	0.528	33%	0.33	S	S	.	.	H	α-helix	trans	-58.6	-41.8	175.7	-71.1	169.6	172.2	0	0	111	G241 S242 L249	G241-E245 WeakPolarHBondContact CA-OE2 3.42Å; S242-E245 PolarHBondContact N-OE2 2.87Å; S242-E245 PolarHBondContact O-N 3.3Å; S242-E245 WeakPolarHBondContact OG-CG 3.45Å; S242-E245 PolarHBondContact OG-N 3.39Å; E245-L249 VanDerWaalsContact O-CB 3.29Å; E245-L249 WeakPolarHBondContact O-CB 3.46Å; E245-L249 PolarHBondContact O-N 3.3Å
246	R	89.7	Confident	88	Confident	24 Å²	24	64.1 Å²	64.1	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-47.6	176.1	-69.6	-167.9	-41.3	-95.4	3.6	112.1	L239 G241 S242 E244 K248 L249 I250 M268 E272	L239-R246 HydrophobicContact CD1-CB 4.41Å; L239-R246 HydrophobicContact CD1-CG 4.28Å; G241-R246 PolarHBondContact O-NH1 2.86Å; S242-R246 WeakPolarHBondContact O-CB 3.45Å; S242-R246 VanDerWaalsContact O-CG 3.22Å; S242-R246 WeakPolarHBondContact O-CG 3.43Å; S242-R246 PolarHBondContact O-N 3.48Å; E244-R246 VanDerWaalsContact C-N 3.26Å; E244-R246 PolarHBondContact O-N 3.21Å; R246-K248 PolarHBondContact O-N 2.71Å; R246-L249 PolarHBondContact O-N 3.3Å; R246-I250 HydrophobicContact CB-CD1 4.42Å; R246-I250 WeakPolarHBondContact O-CB 3.32Å; R246-I250 WeakPolarHBondContact O-CD1 3.2Å; R246-I250 WeakPolarHBondContact O-CG1 3.26Å; R246-I250 PolarHBondContact O-N 3.5Å; R246-M268 WeakPolarHBondContact CD-SD 3.37Å; R246-E272 IonicContact CZ-OE1 2.81Å; R246-E272 IonicContact NE-OE1 3.46Å; R246-E272 PolarHBondContact NE-OE1 2.96Å; R246-E272 IonicContact NH2-OE1 2.73Å
247	R	88.8	Confident	87.5	Confident	135 Å²	135	65.9 Å²	65.9	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-57.6	-48.5	178.1	-83.1	-173.9	-96.7	-172.7	-6.2	111.1	Q243 E244 L249 I250 D251	Q243-R247 VanDerWaalsContact CD-NH2 3.28Å; Q243-R247 WeakPolarHBondContact O-CG 3.33Å; Q243-R247 PolarHBondContact O-N 3.07Å; Q243-R247 VanDerWaalsContact O-N 3.11Å; E244-R247 PolarHBondContact O-N 3.47Å; R247-L249 PolarHBondContact O-N 3.47Å; R247-I250 PolarHBondContact O-N 3.04Å; R247-D251 WeakPolarHBondContact O-CB 3.5Å; R247-D251 PolarHBondContact O-N 2.97Å
248	K	89.7	Confident	86.9	Confident	126 Å²	126	71.4 Å²	71.4	55%	0.548	36%	0.364	S	S	.	.	H	α-helix	trans	-57.7	-48.6	175.7	-69.3	177.2	-176.9	173.6	0	112	E244 R246 I250 D251 E252	E244-K248 WeakPolarHBondContact O-CG 3.41Å; E244-K248 PolarHBondContact O-N 3.25Å; R246-K248 PolarHBondContact O-N 2.71Å; K248-I250 VanDerWaalsContact C-N 3.33Å; K248-I250 PolarHBondContact O-N 3.45Å; K248-D251 PolarHBondContact O-N 3.04Å; K248-E252 VanDerWaalsContact O-CB 3.27Å; K248-E252 WeakPolarHBondContact O-CB 3.28Å; K248-E252 WeakPolarHBondContact O-CG 3.18Å; K248-E252 PolarHBondContact O-N 3.33Å
249	L	88.7	Confident	86.8	Confident	38 Å²	38	70.3 Å²	70.3	20%	0.199	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-35.6	-179.6	-172.2	139.3	0	0	0	112.3	V237 L239 E245 R246 R247 I253 I254	V237-L249 HydrophobicContact CG1-CD1 4.23Å; V237-L249 HydrophobicContact CG1-CD2 3.75Å; V237-L249 HydrophobicContact CG1-CG 4.23Å; L239-L249 HydrophobicContact CB-CD2 4.42Å; L239-L249 HydrophobicContact CD1-CD2 3.53Å; E245-L249 VanDerWaalsContact O-CB 3.29Å; E245-L249 WeakPolarHBondContact O-CB 3.46Å; E245-L249 PolarHBondContact O-N 3.3Å; R246-L249 PolarHBondContact O-N 3.3Å; R247-L249 PolarHBondContact O-N 3.47Å; L249-I253 HydrophobicContact CD1-CD1 4.48Å; L249-I253 HydrophobicContact CG-CD1 4.3Å; L249-I253 WeakPolarHBondContact O-CB 3.5Å; L249-I253 PolarHBondContact O-N 3.27Å; L249-I253 VanDerWaalsContact O-N 3.11Å; L249-I254 HydrophobicContact CD2-CD1 3.53Å; L249-I254 HydrophobicContact CD2-CG1 3.8Å; L249-I254 PolarHBondContact O-N 3.45Å
250	I	88.7	Confident	86.8	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.062	36%	0.356	C	S	.	.	I	π-helix	trans	-65.7	-49.4	176.1	-71	161.5	0	0	0	110.5	L239 R246 R247 K248 I254 L255 E272 V275	L239-I250 HydrophobicContact CD1-CD1 4.32Å; L239-I250 HydrophobicContact CD1-CG1 3.99Å; R246-I250 HydrophobicContact CB-CD1 4.42Å; R246-I250 WeakPolarHBondContact O-CB 3.32Å; R246-I250 WeakPolarHBondContact O-CD1 3.2Å; R246-I250 WeakPolarHBondContact O-CG1 3.26Å; R246-I250 PolarHBondContact O-N 3.5Å; R247-I250 PolarHBondContact O-N 3.04Å; K248-I250 VanDerWaalsContact C-N 3.33Å; K248-I250 PolarHBondContact O-N 3.45Å; I250-I254 HydrophobicContact CG1-CD1 4.05Å; I250-I254 PolarHBondContact O-N 3.22Å; I250-L255 HydrophobicContact CG2-CD1 4.13Å; I250-L255 HydrophobicContact CG2-CG 4.05Å; I250-L255 WeakPolarHBondContact O-CG 3.48Å; I250-L255 PolarHBondContact O-N 3.17Å; I250-E272 HydrophobicContact CD1-CG 4.39Å; I250-V275 HydrophobicContact CD1-CG2 4.21Å; I250-V275 HydrophobicContact CG2-CG1 4.29Å; I250-V275 HydrophobicContact CG2-CG2 4.12Å
251	D	87.6	Confident	87.2	Confident	99 Å²	99	68 Å²	68	53%	0.529	34%	0.343	S	S	.	.	I	π-helix	trans	-74.6	-39.7	-173.9	-67.9	-21.6	0	0	0	112.9	R247 K248 P256	R247-D251 WeakPolarHBondContact O-CB 3.5Å; R247-D251 PolarHBondContact O-N 2.97Å; K248-D251 PolarHBondContact O-N 3.04Å; D251-P256 WeakPolarHBondContact O-CD 3.37Å; D251-P256 WeakPolarHBondContact O-CG 3.44Å
252	E	87.9	Confident	87.7	Confident	141 Å²	141	66.8 Å²	66.8	66%	0.659	33%	0.33	S	S	*	.	I	π-helix	trans	-87.9	-30.1	-175.1	-64.4	-179.8	-175.8	0	0	113.6	K248 P256	K248-E252 VanDerWaalsContact O-CB 3.27Å; K248-E252 WeakPolarHBondContact O-CB 3.28Å; K248-E252 WeakPolarHBondContact O-CG 3.18Å; K248-E252 PolarHBondContact O-N 3.33Å; E252-P256 WeakPolarHBondContact O-CG 3.46Å
253	I	85.6	Confident	88.1	Confident	64 Å²	64	64 Å²	64	33%	0.328	31%	0.311	S	S	.	.	I	π-helix	trans	-119.3	-51.8	-171.2	-53.6	178.8	0	0	0	111.5	V237 L249 W259	V237-I253 HydrophobicContact CG1-CG2 4.17Å; V237-I253 HydrophobicContact CG2-CG2 3.62Å; L249-I253 HydrophobicContact CD1-CD1 4.48Å; L249-I253 HydrophobicContact CG-CD1 4.3Å; L249-I253 WeakPolarHBondContact O-CB 3.5Å; L249-I253 PolarHBondContact O-N 3.27Å; L249-I253 VanDerWaalsContact O-N 3.11Å; I253-W259 PolarHBondContact O-NE1 2.6Å
254	I	86.2	Confident	88.4	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	29%	0.285	C	S	.	.	I	π-helix	trans	-69.4	-57.9	-172.1	-61.8	-178.3	0	0	0	111.3	V237 L239 L249 I250 S257 W259 V275 Y279	V237-I254 HydrophobicContact CG1-CG1 4.45Å; L239-I254 HydrophobicContact CB-CD1 4.3Å; L239-I254 HydrophobicContact CD1-CD1 3.83Å; L239-I254 HydrophobicContact CD2-CD1 4.06Å; L239-I254 HydrophobicContact CG-CD1 4.27Å; L249-I254 HydrophobicContact CD2-CD1 3.53Å; L249-I254 HydrophobicContact CD2-CG1 3.8Å; L249-I254 PolarHBondContact O-N 3.45Å; I250-I254 HydrophobicContact CG1-CD1 4.05Å; I250-I254 PolarHBondContact O-N 3.22Å; I254-S257 WeakPolarHBondContact O-CA 3.3Å; I254-S257 PolarHBondContact O-N 3.26Å; I254-W259 VanDerWaalsContact CA-NE1 3.33Å; I254-W259 HydrophobicContact CG2-CZ2 4.03Å; I254-W259 PolarHBondContact O-NE1 2.97Å; I254-V275 HydrophobicContact CG2-CG1 3.97Å; I254-Y279 HydrophobicContact CG2-CE2 4.03Å; I254-Y279 PolarHBondContact O-OH 3.44Å
255	L	85.3	Confident	88.6	Confident	70 Å²	70	52.5 Å²	52.5	37%	0.366	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-42	-177.4	-67.9	176.4	0	0	0	113	I250 S257 K278 Y279	I250-L255 HydrophobicContact CG2-CD1 4.13Å; I250-L255 HydrophobicContact CG2-CG 4.05Å; I250-L255 WeakPolarHBondContact O-CG 3.48Å; I250-L255 PolarHBondContact O-N 3.17Å; L255-S257 PolarHBondContact O-N 3.07Å; L255-S257 VanDerWaalsContact O-N 3.08Å; L255-S257 PolarHBondContact O-OG 3.49Å; L255-K278 HydrophobicContact CD2-CD 4.47Å; L255-Y279 WeakPolarHBondContact CA-OH 3.29Å
256	P	83.3	Confident	88.7	Confident	63 Å²	63	47.9 Å²	47.9	41%	0.409	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.6	174.1	-26.5	39.5	0	0	0	115	D251 E252 Q258	D251-P256 WeakPolarHBondContact O-CD 3.37Å; D251-P256 WeakPolarHBondContact O-CG 3.44Å; E252-P256 WeakPolarHBondContact O-CG 3.46Å; P256-Q258 VanDerWaalsContact C-N 3.28Å; P256-Q258 HydrophobicContact CB-CG 4.3Å; P256-Q258 PolarHBondContact O-N 2.72Å
257	S	79.9	Confident	88.7	Confident	63 Å²	63	51.2 Å²	51.2	44%	0.441	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	32.4	174	-52.8	0	0	0	0	114.3	I254 L255 W259	I254-S257 WeakPolarHBondContact O-CA 3.3Å; I254-S257 PolarHBondContact O-N 3.26Å; L255-S257 PolarHBondContact O-N 3.07Å; L255-S257 VanDerWaalsContact O-N 3.08Å; L255-S257 PolarHBondContact O-OG 3.49Å; S257-W259 VanDerWaalsContact C-N 3.26Å; S257-W259 PolarHBondContact O-N 2.98Å
258	Q	81.3	Confident	88.8	Confident	132 Å²	132	45.3 Å²	45.3	62%	0.617	23%	0.23	S	C	*	.			trans	-90.3	39.9	179.1	-61.9	-170	9.1	0	0	113.2	R235 P256	R235-Q258 PolarHBondContact NE-O 3.46Å; R235-Q258 PolarHBondContact NH1-O 3.23Å; P256-Q258 VanDerWaalsContact C-N 3.28Å; P256-Q258 HydrophobicContact CB-CG 4.3Å; P256-Q258 PolarHBondContact O-N 2.72Å
259	W	89.7	Confident	88.9	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.019	20%	0.204	C	C	.	.			trans	-147.4	161.8	-177	52.7	-86.3	0	0	0	109.7	P210 V237 I253 I254 S257 C262 Y279 W281	P210-W259 HydrophobicContact CB-CH2 3.54Å; P210-W259 HydrophobicContact CB-CZ2 4.41Å; P210-W259 HydrophobicContact CB-CZ3 3.68Å; V237-W259 HydrophobicContact CB-CB 4.4Å; V237-W259 HydrophobicContact CG2-CB 3.47Å; V237-W259 VanDerWaalsContact CG2-CB 3.47Å; V237-W259 HydrophobicContact CG2-CG 3.97Å; I253-W259 PolarHBondContact O-NE1 2.6Å; I254-W259 VanDerWaalsContact CA-NE1 3.33Å; I254-W259 HydrophobicContact CG2-CZ2 4.03Å; I254-W259 PolarHBondContact O-NE1 2.97Å; S257-W259 VanDerWaalsContact C-N 3.26Å; S257-W259 PolarHBondContact O-N 2.98Å; W259-C262 HydrophobicContact CE3-CB 3.98Å; W259-C262 HydrophobicContact CH2-CB 3.94Å; W259-C262 HydrophobicContact CZ3-CB 3.53Å; W259-Y279 HydrophobicContact CZ2-CE1 4.28Å; W259-W281 AromaticContact CH2-CH2 3.51Å; W259-W281 HydrophobicContact CH2-CH2 3.51Å; W259-W281 AromaticContact CH2-CZ3 3.51Å; W259-W281 HydrophobicContact CH2-CZ3 3.51Å; W259-W281 HydrophobicContact CZ2-CH2 4.49Å; W259-W281 HydrophobicContact CZ3-CH2 4.17Å; W259-W281 AromaticContact CZ3-CZ3 3.79Å; W259-W281 HydrophobicContact CZ3-CZ3 3.79Å
260	D	90.4	Very high	89	Confident	9 Å²	9	40.4 Å²	40.4	5%	0.048	21%	0.21	C	C	.	.	S	Bend	trans	-108.5	-41.1	-176.9	-51.1	-40.6	0	0	0	111.3	K201 H211 I234 R235	K201-D260 IonicContact NZ-OD1 3.76Å; K201-D260 IonicContact NZ-OD2 3.39Å; K201-D260 PolarHBondContact NZ-OD2 3.39Å; H211-D260 PolarHBondContact N-O 3.2Å; I234-D260 HydrophobicContact CG2-CB 3.98Å; R235-D260 PolarHBondContact N-OD2 2.89Å; R235-D260 IonicContact NE-OD1 2.93Å; R235-D260 IonicContact NH2-OD1 2.73Å; R235-D260 PolarHBondContact O-N 3.38Å
261	V	93.4	Very high	89.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.3	-179.2	-177.7	0	0	0	0	110.6	I197 H211 V213 F227 I234 R235 T236 V237 V263	I197-V261 HydrophobicContact CD1-CG2 4.16Å; I197-V261 HydrophobicContact CG2-CG2 3.93Å; H211-V261 HydrophobicContact CB-CG2 4.18Å; H211-V261 WeakPolarHBondContact O-CA 3.49Å; V213-V261 HydrophobicContact CG2-CG1 3.74Å; F227-V261 HydrophobicContact CE1-CG1 4.42Å; F227-V261 HydrophobicContact CE1-CG2 4.07Å; F227-V261 HydrophobicContact CE2-CG1 4Å; F227-V261 HydrophobicContact CZ-CB 4.43Å; F227-V261 HydrophobicContact CZ-CG1 3.79Å; F227-V261 HydrophobicContact CZ-CG2 4.22Å; I234-V261 HydrophobicContact CG2-CB 4.22Å; I234-V261 HydrophobicContact CG2-CG2 3.47Å; I234-V261 VanDerWaalsContact CG2-CG2 3.47Å; R235-V261 PolarHBondContact O-N 3.05Å; T236-V261 WeakPolarHBondContact CA-O 3.4Å; T236-V261 HydrophobicContact CG2-CB 4.22Å; V237-V261 PolarHBondContact N-O 3.01Å; V261-V263 HydrophobicContact CG1-CG2 4.21Å
262	C	94.2	Very high	89.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.4	168.9	-175.4	0	0	0	0	109.5	H211 L212 V213 V237 W259 W281	H211-C262 PolarHBondContact O-N 3.19Å; L212-C262 HydrophobicContact CD1-CB 4.28Å; V213-C262 PolarHBondContact N-O 3.43Å; V237-C262 CarbonylContact O-C 3.56Å; V237-C262 WeakPolarHBondContact O-CA 3.43Å; W259-C262 HydrophobicContact CE3-CB 3.98Å; W259-C262 HydrophobicContact CH2-CB 3.94Å; W259-C262 HydrophobicContact CZ3-CB 3.53Å; C262-W281 HydrophobicContact CB-CH2 4.28Å; C262-W281 HydrophobicContact CB-CZ3 4.41Å
263	V	94.4	Very high	89.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.3	174.7	-169	0	0	0	0	108.5	V213 L220 W223 V224 F227 V237 A238 L239 V261	V213-V263 HydrophobicContact CB-CG1 4.37Å; V213-V263 HydrophobicContact CB-CG2 4.33Å; V213-V263 HydrophobicContact CG1-CG1 4.35Å; V213-V263 CarbonylContact O-C 3.57Å; V213-V263 WeakPolarHBondContact O-CA 3.46Å; L220-V263 HydrophobicContact CG-CG1 3.99Å; W223-V263 HydrophobicContact CB-CG1 4.03Å; V224-V263 HydrophobicContact CG2-CB 4.39Å; V224-V263 HydrophobicContact CG2-CG2 4.35Å; F227-V263 HydrophobicContact CD2-CG2 4.4Å; F227-V263 HydrophobicContact CE2-CG2 4.17Å; V237-V263 PolarHBondContact O-N 3.04Å; A238-V263 WeakPolarHBondContact CA-O 3.46Å; L239-V263 PolarHBondContact N-O 3.3Å; V261-V263 HydrophobicContact CG1-CG2 4.21Å
264	T	94.2	Very high	89.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	160.4	-175.2	-158.1	0	0	0	0	112.2	L212 V213 I214 C215 L239 M268 A269 F276	L212-T264 HydrophobicContact CD1-CG2 3.96Å; V213-T264 PolarHBondContact O-N 3.23Å; I214-T264 WeakPolarHBondContact CA-O 3.39Å; I214-T264 HydrophobicContact CG1-CG2 4.13Å; C215-T264 PolarHBondContact N-O 3.32Å; L239-T264 PolarHBondContact O-OG1 3.47Å; T264-M268 VanDerWaalsContact OG1-CB 3.27Å; T264-M268 WeakPolarHBondContact OG1-CB 3.48Å; T264-M268 WeakPolarHBondContact OG1-CG 3.28Å; T264-A269 HydrophobicContact CG2-CB 4.37Å; T264-F276 HydrophobicContact CG2-CE1 4.4Å; T264-F276 HydrophobicContact CG2-CE2 4.39Å; T264-F276 HydrophobicContact CG2-CZ 3.82Å
265	S	92.3	Very high	89.9	Confident	5 Å²	5	42.5 Å²	42.5	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	161.4	175.5	83.9	0	0	0	0	112.1	C215 E267 M268 A269	C215-S265 VanDerWaalsContact O-CA 3.32Å; C215-S265 WeakPolarHBondContact O-CA 3.26Å; S265-E267 VanDerWaalsContact C-N 3.26Å; S265-E267 WeakPolarHBondContact CB-OE2 3.44Å; S265-E267 PolarHBondContact O-N 2.69Å; S265-E267 PolarHBondContact OG-OE2 3.46Å; S265-M268 PolarHBondContact O-N 3.02Å; S265-M268 VanDerWaalsContact O-N 3.1Å; S265-M268 PolarHBondContact OG-N 2.84Å; S265-A269 PolarHBondContact O-N 3.01Å
266	Y	90.7	Very high	90.2	Very high	17 Å²	17	39.2 Å²	39.2	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-56.2	-41.2	176.2	-57.7	-63.4	0	0	0	112.7	I214 P216 M268 A269 I270 I286 D287 E288 R291 L299	I214-Y266 HydrophobicContact CG2-CD1 3.4Å; I214-Y266 HydrophobicContact CG2-CE1 3.77Å; I214-Y266 HydrophobicContact CG2-CG 4.28Å; P216-Y266 HydrophobicContact CB-CE2 4.35Å; P216-Y266 HydrophobicContact CG-CE2 3.94Å; Y266-M268 VanDerWaalsContact C-N 3.27Å; Y266-M268 PolarHBondContact O-N 3.32Å; Y266-A269 PolarHBondContact O-N 3.34Å; Y266-I270 WeakPolarHBondContact O-CG1 3.16Å; Y266-I270 PolarHBondContact O-N 3.12Å; Y266-I286 HydrophobicContact CE1-CG2 4.13Å; Y266-D287 PolarHBondContact OH-O 3.32Å; Y266-E288 WeakPolarHBondContact OH-CB 3.5Å; Y266-E288 PolarHBondContact OH-O 3.14Å; Y266-R291 HydrophobicContact CD2-CG 4.43Å; Y266-R291 HydrophobicContact CE1-CB 4.23Å; Y266-R291 HydrophobicContact CE2-CB 4.34Å; Y266-R291 HydrophobicContact CE2-CG 3.77Å; Y266-L299 HydrophobicContact CD1-CD1 4.05Å; Y266-L299 HydrophobicContact CD1-CD2 3.4Å; Y266-L299 VanDerWaalsContact CD1-CD2 3.4Å; Y266-L299 HydrophobicContact CD1-CG 4.35Å; Y266-L299 HydrophobicContact CE1-CD2 4.03Å; Y266-L299 HydrophobicContact CG-CD2 3.93Å
267	E	89.8	Confident	90.6	Very high	94 Å²	94	40 Å²	40	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-36.4	179.6	-52.3	81	-173.4	0	0	111	S265 I270 R271	S265-E267 VanDerWaalsContact C-N 3.26Å; S265-E267 WeakPolarHBondContact CB-OE2 3.44Å; S265-E267 PolarHBondContact O-N 2.69Å; S265-E267 PolarHBondContact OG-OE2 3.46Å; E267-I270 PolarHBondContact O-N 3.06Å; E267-R271 WeakPolarHBondContact O-CG 3.26Å; E267-R271 PolarHBondContact O-N 3.21Å
268	M	90.8	Very high	91	Very high	11 Å²	11	44 Å²	44	5%	0.054	21%	0.205	C	C	.	.	H	α-helix	trans	-74.5	-36.2	-179.7	-162.4	59.8	63.2	0	0	112.6	L239 R246 T264 S265 Y266 I270 R271 E272	L239-M268 HydrophobicContact CD2-CG 3.92Å; L239-M268 HydrophobicContact CG-CG 3.85Å; R246-M268 WeakPolarHBondContact CD-SD 3.37Å; T264-M268 VanDerWaalsContact OG1-CB 3.27Å; T264-M268 WeakPolarHBondContact OG1-CB 3.48Å; T264-M268 WeakPolarHBondContact OG1-CG 3.28Å; S265-M268 PolarHBondContact O-N 3.02Å; S265-M268 VanDerWaalsContact O-N 3.1Å; S265-M268 PolarHBondContact OG-N 2.84Å; Y266-M268 VanDerWaalsContact C-N 3.27Å; Y266-M268 PolarHBondContact O-N 3.32Å; M268-I270 PolarHBondContact O-N 3.37Å; M268-R271 PolarHBondContact O-N 3.34Å; M268-R271 HydrophobicContact SD-CB 4.38Å; M268-E272 HydrophobicContact CG-CG 4.15Å; M268-E272 PolarHBondContact O-N 3.09Å; M268-E272 HydrophobicContact SD-CG 3.61Å
269	A	91.8	Very high	91.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.3	-35.9	171.5	0	0	0	0	0	112	I214 T264 S265 Y266 K273 L299	I214-A269 HydrophobicContact CD1-CB 4.31Å; T264-A269 HydrophobicContact CG2-CB 4.37Å; S265-A269 PolarHBondContact O-N 3.01Å; Y266-A269 PolarHBondContact O-N 3.34Å; A269-K273 PolarHBondContact O-N 2.81Å; A269-L299 HydrophobicContact CB-CD1 4.49Å
270	I	91.7	Very high	91.3	Very high	61 Å²	61	43.1 Å²	43.1	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-72.9	-47.8	175.4	-63.1	172.1	0	0	0	111.2	Y266 E267 M268 L299 I302	Y266-I270 WeakPolarHBondContact O-CG1 3.16Å; Y266-I270 PolarHBondContact O-N 3.12Å; E267-I270 PolarHBondContact O-N 3.06Å; M268-I270 PolarHBondContact O-N 3.37Å; I270-L299 HydrophobicContact CD1-CB 4.27Å; I270-L299 HydrophobicContact CD1-CD1 4.46Å; I270-L299 HydrophobicContact CG1-CD1 4.25Å; I270-I302 HydrophobicContact CB-CD1 4.12Å; I270-I302 HydrophobicContact CG1-CD1 4.02Å; I270-I302 HydrophobicContact CG2-CD1 3.77Å
271	R	91.6	Very high	91.4	Very high	149 Å²	149	42.7 Å²	42.7	56%	0.562	20%	0.197	S	C	*	.	H	α-helix	trans	-65.8	-46.8	-176.4	-73.3	176.8	-179.1	-167.1	-2	112.6	E267 M268	E267-R271 WeakPolarHBondContact O-CG 3.26Å; E267-R271 PolarHBondContact O-N 3.21Å; M268-R271 PolarHBondContact O-N 3.34Å; M268-R271 HydrophobicContact SD-CB 4.38Å
272	E	91.8	Very high	91.2	Very high	31 Å²	31	45.1 Å²	45.1	15%	0.145	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	26	-174	-55.9	-65.3	167.4	0	0	112.3	L239 R246 I250 M268 S274 V275 F276	L239-E272 HydrophobicContact CD2-CB 4.07Å; L239-E272 HydrophobicContact CD2-CG 4.01Å; R246-E272 IonicContact CZ-OE1 2.81Å; R246-E272 IonicContact NE-OE1 3.46Å; R246-E272 PolarHBondContact NE-OE1 2.96Å; R246-E272 IonicContact NH2-OE1 2.73Å; I250-E272 HydrophobicContact CD1-CG 4.39Å; M268-E272 HydrophobicContact CG-CG 4.15Å; M268-E272 PolarHBondContact O-N 3.09Å; M268-E272 HydrophobicContact SD-CG 3.61Å; E272-S274 PolarHBondContact O-N 3.41Å; E272-S274 VanDerWaalsContact O-N 3.08Å; E272-V275 WeakPolarHBondContact O-CB 3.42Å; E272-V275 PolarHBondContact O-N 3.33Å; E272-F276 HydrophobicContact CB-CD2 4.28Å; E272-F276 HydrophobicContact CB-CE2 3.89Å; E272-F276 VanDerWaalsContact O-CD2 3.26Å; E272-F276 WeakPolarHBondContact O-CD2 3.43Å; E272-F276 PolarHBondContact O-N 3.03Å
273	K	91.4	Very high	91.1	Very high	97 Å²	97	45.3 Å²	45.3	42%	0.422	21%	0.209	S	C	.	.	H	α-helix	trans	-53.5	-32.8	-177.9	68	-176.5	179.2	-177.5	0	113.8	A269 V275 F276 K277 I302 F306	A269-K273 PolarHBondContact O-N 2.81Å; K273-V275 VanDerWaalsContact C-N 3.29Å; K273-V275 PolarHBondContact O-N 3.41Å; K273-F276 PolarHBondContact O-N 3.43Å; K273-K277 WeakPolarHBondContact O-CB 3.15Å; K273-K277 VanDerWaalsContact O-CG 3.26Å; K273-K277 WeakPolarHBondContact O-CG 3.22Å; K273-K277 PolarHBondContact O-N 3.05Å; K273-I302 HydrophobicContact CB-CG2 3.79Å; K273-I302 HydrophobicContact CD-CD1 4.08Å; K273-I302 HydrophobicContact CD-CG1 4.31Å; K273-F306 HydrophobicContact CB-CE1 4.48Å
274	S	90.3	Very high	91	Very high	76 Å²	76	45.4 Å²	45.4	53%	0.531	21%	0.209	S	C	.	.	H	α-helix	trans	-66.4	-30	178.9	55.6	0	0	0	0	112.5	E272 K278	E272-S274 PolarHBondContact O-N 3.41Å; E272-S274 VanDerWaalsContact O-N 3.08Å; S274-K278 WeakPolarHBondContact O-CG 3.47Å
275	V	90.4	Very high	91	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	21%	0.209	C	C	.	.	H	α-helix	trans	-77.3	-49.5	175.4	-177.5	0	0	0	0	109.6	I250 I254 E272 K273 K277 K278 Y279	I250-V275 HydrophobicContact CD1-CG2 4.21Å; I250-V275 HydrophobicContact CG2-CG1 4.29Å; I250-V275 HydrophobicContact CG2-CG2 4.12Å; I254-V275 HydrophobicContact CG2-CG1 3.97Å; E272-V275 WeakPolarHBondContact O-CB 3.42Å; E272-V275 PolarHBondContact O-N 3.33Å; K273-V275 VanDerWaalsContact C-N 3.29Å; K273-V275 PolarHBondContact O-N 3.41Å; V275-K277 VanDerWaalsContact C-N 3.29Å; V275-K277 PolarHBondContact O-N 3.23Å; V275-K278 WeakPolarHBondContact O-CB 3.39Å; V275-K278 PolarHBondContact O-N 3.31Å; V275-K278 VanDerWaalsContact O-N 3.1Å; V275-Y279 HydrophobicContact CG1-CE2 4.4Å; V275-Y279 WeakPolarHBondContact O-CD2 3.41Å
276	F	91.4	Very high	91	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-31.8	-177.4	-64.9	-60.5	0	0	0	113.6	L212 L239 T264 E272 K273 K278 Y279 W281 F306	L212-F276 HydrophobicContact CD1-CD1 4.01Å; L212-F276 HydrophobicContact CD1-CE1 3.75Å; L212-F276 HydrophobicContact CD1-CZ 4.5Å; L212-F276 HydrophobicContact CD2-CD1 4.48Å; L239-F276 HydrophobicContact CD2-CE1 4.23Å; L239-F276 HydrophobicContact CD2-CE2 4.04Å; L239-F276 HydrophobicContact CD2-CZ 3.48Å; L239-F276 VanDerWaalsContact CD2-CZ 3.48Å; T264-F276 HydrophobicContact CG2-CE1 4.4Å; T264-F276 HydrophobicContact CG2-CE2 4.39Å; T264-F276 HydrophobicContact CG2-CZ 3.82Å; E272-F276 HydrophobicContact CB-CD2 4.28Å; E272-F276 HydrophobicContact CB-CE2 3.89Å; E272-F276 VanDerWaalsContact O-CD2 3.26Å; E272-F276 WeakPolarHBondContact O-CD2 3.43Å; E272-F276 PolarHBondContact O-N 3.03Å; K273-F276 PolarHBondContact O-N 3.43Å; F276-K278 VanDerWaalsContact C-N 3.25Å; F276-K278 PolarHBondContact O-N 3.43Å; F276-Y279 PolarHBondContact O-N 3.12Å; F276-W281 HydrophobicContact CB-CZ2 4.36Å; F276-W281 HydrophobicContact CD1-CH2 4.12Å; F276-W281 AromaticContact CD1-CZ2 3.7Å; F276-W281 HydrophobicContact CD1-CZ2 3.7Å; F276-W281 PolarHBondContact O-NE1 3.42Å; F276-F306 HydrophobicContact CB-CD1 4.21Å; F276-F306 HydrophobicContact CB-CE1 3.64Å; F276-F306 HydrophobicContact CB-CE2 4.07Å; F276-F306 HydrophobicContact CB-CZ 3.57Å; F276-F306 HydrophobicContact CD2-CZ 4.16Å; F276-F306 HydrophobicContact CG-CZ 4.17Å
277	K	90.8	Very high	91	Very high	80 Å²	80	45 Å²	45	35%	0.348	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.4	175.2	-78.8	-178.4	-178.3	-166.5	0	114.7	K273 V275 Y279 E305 F306	K273-K277 WeakPolarHBondContact O-CB 3.15Å; K273-K277 VanDerWaalsContact O-CG 3.26Å; K273-K277 WeakPolarHBondContact O-CG 3.22Å; K273-K277 PolarHBondContact O-N 3.05Å; V275-K277 VanDerWaalsContact C-N 3.29Å; V275-K277 PolarHBondContact O-N 3.23Å; K277-Y279 VanDerWaalsContact C-N 3.27Å; K277-Y279 PolarHBondContact O-N 3.15Å; K277-E305 WeakPolarHBondContact CE-OE2 3.33Å; K277-E305 IonicContact NZ-OE1 3.64Å; K277-E305 PolarHBondContact NZ-OE1 3.24Å; K277-E305 IonicContact NZ-OE2 2.7Å; K277-E305 PolarHBondContact NZ-OE2 3.08Å; K277-F306 HydrophobicContact CG-CD1 3.97Å; K277-F306 HydrophobicContact CG-CE1 4.1Å
278	K	89.1	Confident	90.6	Very high	147 Å²	147	42.2 Å²	42.2	64%	0.639	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20	-179.7	-66.1	176.8	-177	-179.8	0	112.9	L255 S274 V275 F276	L255-K278 HydrophobicContact CD2-CD 4.47Å; S274-K278 WeakPolarHBondContact O-CG 3.47Å; V275-K278 WeakPolarHBondContact O-CB 3.39Å; V275-K278 PolarHBondContact O-N 3.31Å; V275-K278 VanDerWaalsContact O-N 3.1Å; F276-K278 VanDerWaalsContact C-N 3.25Å; F276-K278 PolarHBondContact O-N 3.43Å
279	Y	88.7	Confident	90.1	Very high	31 Å²	31	41.9 Å²	41.9	12%	0.122	19%	0.193	C	C	.	.	S	Bend	trans	-101.2	143	-175.8	-63.7	-84.5	0	0	0	111.7	P210 I254 L255 W259 V275 F276 K277 W281	P210-Y279 HydrophobicContact CG-CD1 4.12Å; P210-Y279 HydrophobicContact CG-CG 4.49Å; I254-Y279 HydrophobicContact CG2-CE2 4.03Å; I254-Y279 PolarHBondContact O-OH 3.44Å; L255-Y279 WeakPolarHBondContact CA-OH 3.29Å; W259-Y279 HydrophobicContact CZ2-CE1 4.28Å; V275-Y279 HydrophobicContact CG1-CE2 4.4Å; V275-Y279 WeakPolarHBondContact O-CD2 3.41Å; F276-Y279 PolarHBondContact O-N 3.12Å; K277-Y279 VanDerWaalsContact C-N 3.27Å; K277-Y279 PolarHBondContact O-N 3.15Å; Y279-W281 HydrophobicContact CD2-CZ2 4.1Å; Y279-W281 HydrophobicContact CG-CZ2 4.22Å
280	H	89.4	Confident	89.3	Confident	86 Å²	86	45 Å²	45	40%	0.398	21%	0.208	S	C	.	.			trans	-92	102.3	164.4	-174.8	82	0	0	0	108.9	S309	H280-S309 PolarHBondContact NE2-OG 3.16Å; H280-S309 VanDerWaalsContact NE2-OG 3.1Å
281	W	90.8	Very high	88.6	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.5	-173.7	-60.7	96.2	0	0	0	111.4	P210 H211 L212 W259 C262 F276 Y279 V284 R307 S308 S309	P210-W281 HydrophobicContact CB-CE3 3.93Å; P210-W281 HydrophobicContact CB-CZ3 3.84Å; P210-W281 HydrophobicContact CG-CE3 4.11Å; P210-W281 HydrophobicContact CG-CZ3 4.38Å; H211-W281 VanDerWaalsContact C-CE3 3.5Å; H211-W281 WeakPolarHBondContact O-CZ3 3Å; L212-W281 HydrophobicContact CB-CD2 3.74Å; L212-W281 HydrophobicContact CB-CE3 3.47Å; L212-W281 VanDerWaalsContact CB-CE3 3.47Å; L212-W281 HydrophobicContact CB-CG 4.41Å; L212-W281 HydrophobicContact CB-CH2 4.1Å; L212-W281 HydrophobicContact CB-CZ2 4.42Å; L212-W281 HydrophobicContact CB-CZ3 3.62Å; L212-W281 HydrophobicContact CD1-CH2 4.02Å; L212-W281 HydrophobicContact CD1-CZ2 4.39Å; L212-W281 HydrophobicContact CD1-CZ3 4.28Å; L212-W281 HydrophobicContact CD2-CD2 4.43Å; L212-W281 HydrophobicContact CD2-CZ2 4.37Å; L212-W281 HydrophobicContact CG-CH2 4.5Å; L212-W281 HydrophobicContact CG-CZ3 4.47Å; W259-W281 AromaticContact CH2-CH2 3.51Å; W259-W281 HydrophobicContact CH2-CH2 3.51Å; W259-W281 AromaticContact CH2-CZ3 3.51Å; W259-W281 HydrophobicContact CH2-CZ3 3.51Å; W259-W281 HydrophobicContact CZ2-CH2 4.49Å; W259-W281 HydrophobicContact CZ3-CH2 4.17Å; W259-W281 AromaticContact CZ3-CZ3 3.79Å; W259-W281 HydrophobicContact CZ3-CZ3 3.79Å; C262-W281 HydrophobicContact CB-CH2 4.28Å; C262-W281 HydrophobicContact CB-CZ3 4.41Å; F276-W281 HydrophobicContact CB-CZ2 4.36Å; F276-W281 HydrophobicContact CD1-CH2 4.12Å; F276-W281 AromaticContact CD1-CZ2 3.7Å; F276-W281 HydrophobicContact CD1-CZ2 3.7Å; F276-W281 PolarHBondContact O-NE1 3.42Å; Y279-W281 HydrophobicContact CD2-CZ2 4.1Å; Y279-W281 HydrophobicContact CG-CZ2 4.22Å; W281-V284 HydrophobicContact CB-CG2 3.69Å; W281-V284 HydrophobicContact CG-CG2 4.01Å; W281-R307 PolarHBondContact N-O 3.12Å; W281-S308 CarbonylContact O-C 3.6Å; W281-S308 WeakPolarHBondContact O-CA 3.42Å; W281-S309 PolarHBondContact O-N 3.03Å
282	K	89.8	Confident	88	Confident	50 Å²	50	42.5 Å²	42.5	22%	0.217	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-42.2	174.1	-67.8	-62.7	-176.1	-179.5	0	111.5	P210 N310	P210-K282 PolarHBondContact O-N 2.96Å; K282-N310 PolarHBondContact O-N 2.69Å
283	Y	91.8	Very high	87.2	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.4	169.2	-103.9	-86.6	0	0	0	110.7	F170 L196 M200 H211 L212 I285 N310 L312	F170-Y283 WeakPolarHBondContact CB-OH 3.3Å; F170-Y283 HydrophobicContact CD2-CD2 4.43Å; F170-Y283 AromaticContact CD2-CE2 3.4Å; F170-Y283 HydrophobicContact CD2-CE2 3.4Å; F170-Y283 AromaticContact CD2-CZ 4Å; F170-Y283 AromaticContact CE2-CE2 3.86Å; F170-Y283 HydrophobicContact CE2-CE2 3.86Å; F170-Y283 HydrophobicContact CG-CE2 4.22Å; L196-Y283 HydrophobicContact CD2-CE1 4.27Å; L196-Y283 HydrophobicContact CD2-CE2 4.33Å; M200-Y283 HydrophobicContact CE-CD2 3.6Å; M200-Y283 HydrophobicContact CE-CE2 4.03Å; M200-Y283 HydrophobicContact CE-CG 4.4Å; M200-Y283 HydrophobicContact SD-CD2 3.61Å; M200-Y283 HydrophobicContact SD-CE2 3.69Å; H211-Y283 PolarHBondContact ND1-N 2.93Å; L212-Y283 PolarHBondContact N-O 3.25Å; Y283-I285 HydrophobicContact CD1-CG1 4.42Å; Y283-N310 WeakPolarHBondContact CA-O 3.38Å; Y283-N310 HydrophobicContact CD1-CB 3.94Å; Y283-N310 HydrophobicContact CD2-CB 3.97Å; Y283-N310 HydrophobicContact CE1-CB 3.6Å; Y283-N310 HydrophobicContact CE2-CB 3.68Å; Y283-N310 HydrophobicContact CG-CB 4.11Å; Y283-N310 VanDerWaalsContact CZ-CB 3.46Å; Y283-L312 HydrophobicContact CD1-CB 4.15Å; Y283-L312 HydrophobicContact CE1-CB 4.03Å
284	V	93.4	Very high	86.4	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.8	162.6	178.2	0	0	0	0	108	L212 I214 W281 I286 V303 N310 R311 L312	L212-V284 HydrophobicContact CB-CG2 4.37Å; L212-V284 HydrophobicContact CD2-CG1 4.41Å; I214-V284 HydrophobicContact CD1-CG1 4.46Å; W281-V284 HydrophobicContact CB-CG2 3.69Å; W281-V284 HydrophobicContact CG-CG2 4.01Å; V284-I286 HydrophobicContact CG1-CG1 4.28Å; V284-V303 HydrophobicContact CG1-CG1 4.39Å; V284-N310 PolarHBondContact N-O 2.88Å; V284-R311 HydrophobicContact CB-CG 4.39Å; V284-R311 WeakPolarHBondContact O-CA 3.37Å; V284-L312 PolarHBondContact O-N 3.19Å
285	I	93.9	Very high	85.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.4	-179.6	-64.8	152.3	0	0	0	107.9	T193 I197 L212 V213 I214 Y283 L312 L314	T193-I285 HydrophobicContact CG2-CD1 3.51Å; T193-I285 HydrophobicContact CG2-CG1 4.06Å; T193-I285 HydrophobicContact CG2-CG2 3.97Å; I197-I285 HydrophobicContact CD1-CD1 3.68Å; I197-I285 HydrophobicContact CG1-CD1 4.28Å; L212-I285 PolarHBondContact O-N 3.31Å; V213-I285 CarbonylContact C-O 3.59Å; V213-I285 WeakPolarHBondContact CA-O 3.06Å; V213-I285 HydrophobicContact CG1-CG2 4.4Å; V213-I285 HydrophobicContact CG2-CB 4.22Å; V213-I285 HydrophobicContact CG2-CD1 4Å; I214-I285 PolarHBondContact N-O 2.87Å; Y283-I285 HydrophobicContact CD1-CG1 4.42Å; I285-L312 WeakPolarHBondContact CA-O 3.26Å; I285-L312 HydrophobicContact CG1-CB 4.08Å; I285-L312 HydrophobicContact CG1-CD2 4.3Å; I285-L314 HydrophobicContact CG2-CD1 3.88Å; I285-L314 HydrophobicContact CG2-CG 4.21Å
286	I	92.4	Very high	85.3	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	109.6	177.1	-57.8	176	0	0	0	107.8	I214 Y266 V284 A289 I292 V303 L312 L313 L314 F332	I214-I286 HydrophobicContact CB-CG1 4.45Å; I214-I286 HydrophobicContact CD1-CG1 4.45Å; I214-I286 WeakPolarHBondContact O-CA 3.23Å; Y266-I286 HydrophobicContact CE1-CG2 4.13Å; V284-I286 HydrophobicContact CG1-CG1 4.28Å; I286-A289 HydrophobicContact CG2-CB 4.26Å; I286-I292 HydrophobicContact CD1-CD1 3.96Å; I286-I292 HydrophobicContact CD1-CG2 4.44Å; I286-V303 HydrophobicContact CD1-CG1 3.85Å; I286-L312 PolarHBondContact N-O 3.18Å; I286-L313 HydrophobicContact CB-CD2 3.82Å; I286-L313 HydrophobicContact CD1-CD2 3.94Å; I286-L313 HydrophobicContact CG1-CD2 4.22Å; I286-L314 PolarHBondContact O-N 3.12Å; I286-F332 HydrophobicContact CD1-CE1 3.72Å; I286-F332 HydrophobicContact CD1-CE2 4.32Å; I286-F332 HydrophobicContact CD1-CZ 3.42Å; I286-F332 VanDerWaalsContact CD1-CZ 3.42Å
287	D	90	Very high	84.9	Confident	10 Å²	10	49.1 Å²	49.1	5%	0.053	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	152.2	168.4	-163.9	13.1	0	0	0	109.6	I214 C215 W223 Y266 A289	I214-D287 PolarHBondContact O-N 3.27Å; C215-D287 HydrophobicContact CB-CB 3.65Å; W223-D287 HydrophobicContact CZ2-CB 4.23Å; W223-D287 PolarHBondContact NE1-OD2 3.27Å; Y266-D287 PolarHBondContact OH-O 3.32Å; D287-A289 VanDerWaalsContact C-N 3.3Å; D287-A289 PolarHBondContact O-N 3.33Å
288	E	81.9	Confident	84.6	Confident	37 Å²	37	52.8 Å²	52.8	17%	0.173	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	50.5	-179.4	-69.9	-70.4	-172.5	0	0	114.1	M182 P216 Y266 H290 R291 L314	M182-E288 VanDerWaalsContact CE-CD 3.43Å; M182-E288 HydrophobicContact CE-CG 4.2Å; M182-E288 WeakPolarHBondContact CE-OE1 3.48Å; M182-E288 VanDerWaalsContact SD-CD 3.57Å; P216-E288 HydrophobicContact CG-CB 3.93Å; P216-E288 HydrophobicContact CG-CG 3.88Å; Y266-E288 WeakPolarHBondContact OH-CB 3.5Å; Y266-E288 PolarHBondContact OH-O 3.14Å; E288-H290 PolarHBondContact O-N 3.32Å; E288-H290 PolarHBondContact O-ND1 3.15Å; E288-H290 IonicContact OE2-CE1 2.65Å; E288-H290 PolarHBondContact OE2-CE1 3.46Å; E288-H290 IonicContact OE2-ND1 2.74Å; E288-H290 PolarHBondContact OE2-ND1 3Å; E288-R291 PolarHBondContact O-N 2.97Å; E288-R291 VanDerWaalsContact O-N 3.16Å; E288-L314 WeakPolarHBondContact CA-O 3.1Å; E288-L314 PolarHBondContact N-O 3.23Å
289	A	79.8	Confident	84.4	Confident	3 Å²	3	46.3 Å²	46.3	3%	0.025	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-59.7	-3.4	-172.9	0	0	0	0	0	115	I286 D287 R291 I292 L313 L314	I286-A289 HydrophobicContact CG2-CB 4.26Å; D287-A289 VanDerWaalsContact C-N 3.3Å; D287-A289 PolarHBondContact O-N 3.33Å; A289-R291 PolarHBondContact O-N 3.28Å; A289-I292 HydrophobicContact CB-CD1 4.24Å; A289-I292 HydrophobicContact CB-CG1 4.2Å; A289-I292 WeakPolarHBondContact O-CG1 3.25Å; A289-I292 PolarHBondContact O-N 3.49Å; A289-I292 VanDerWaalsContact O-N 3.12Å; A289-L313 HydrophobicContact CB-CB 3.85Å; A289-L313 HydrophobicContact CB-CD1 4.44Å; A289-L313 HydrophobicContact CB-CD2 3.94Å; A289-L313 HydrophobicContact CB-CG 4.29Å; A289-L314 PolarHBondContact N-O 2.94Å
290	H	75.8	Confident	84.3	Confident	67 Å²	67	44.8 Å²	44.8	31%	0.31	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-56.8	-20.3	167.8	71.4	-97	0	0	0	112.9	E288 I292 K293	E288-H290 PolarHBondContact O-N 3.32Å; E288-H290 PolarHBondContact O-ND1 3.15Å; E288-H290 IonicContact OE2-CE1 2.65Å; E288-H290 PolarHBondContact OE2-CE1 3.46Å; E288-H290 IonicContact OE2-ND1 2.74Å; E288-H290 PolarHBondContact OE2-ND1 3Å; H290-I292 PolarHBondContact O-N 3.46Å; H290-K293 HydrophobicContact CB-CD 3.98Å; H290-K293 VanDerWaalsContact O-CD 3.32Å; H290-K293 WeakPolarHBondContact O-CD 3.47Å; H290-K293 WeakPolarHBondContact O-CG 3.35Å
291	R	75.7	Confident	84.2	Confident	154 Å²	154	45.9 Å²	45.9	58%	0.581	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-70	-22.1	175.5	-69.2	-69.1	-173.6	160.3	3.5	115.2	Y266 E288 A289 L299	Y266-R291 HydrophobicContact CD2-CG 4.43Å; Y266-R291 HydrophobicContact CE1-CB 4.23Å; Y266-R291 HydrophobicContact CE2-CB 4.34Å; Y266-R291 HydrophobicContact CE2-CG 3.77Å; E288-R291 PolarHBondContact O-N 2.97Å; E288-R291 VanDerWaalsContact O-N 3.16Å; A289-R291 PolarHBondContact O-N 3.28Å; R291-L299 HydrophobicContact CB-CD2 4.2Å
292	I	78.7	Confident	84.1	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.015	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-100.4	4.7	-179	53.8	161.4	0	0	0	113.8	I286 A289 H290 N294 L299 L313 L329 F332	I286-I292 HydrophobicContact CD1-CD1 3.96Å; I286-I292 HydrophobicContact CD1-CG2 4.44Å; A289-I292 HydrophobicContact CB-CD1 4.24Å; A289-I292 HydrophobicContact CB-CG1 4.2Å; A289-I292 WeakPolarHBondContact O-CG1 3.25Å; A289-I292 PolarHBondContact O-N 3.49Å; A289-I292 VanDerWaalsContact O-N 3.12Å; H290-I292 PolarHBondContact O-N 3.46Å; I292-N294 PolarHBondContact O-N 3.27Å; I292-L299 HydrophobicContact CG2-CD2 3.91Å; I292-L299 HydrophobicContact CG2-CG 4.2Å; I292-L313 HydrophobicContact CD1-CD1 4.03Å; I292-L313 HydrophobicContact CD1-CD2 3.52Å; I292-L313 HydrophobicContact CD1-CG 4.44Å; I292-L329 HydrophobicContact CD1-CD2 4.27Å; I292-L329 HydrophobicContact CG1-CD2 4.33Å; I292-F332 HydrophobicContact CD1-CD1 4Å; I292-F332 HydrophobicContact CD1-CD2 4.45Å; I292-F332 HydrophobicContact CD1-CE1 4.13Å; I292-F332 HydrophobicContact CD1-CG 4.17Å; I292-F332 HydrophobicContact CD1-CZ 4.45Å
293	K	75	Confident	84.1	Confident	14 Å²	14	44.3 Å²	44.3	6%	0.061	20%	0.204	C	C	.	.			trans	-57.2	-34.5	-178.8	-76.5	174	163	-146.9	0	114.1	H290 E325 A328	H290-K293 HydrophobicContact CB-CD 3.98Å; H290-K293 VanDerWaalsContact O-CD 3.32Å; H290-K293 WeakPolarHBondContact O-CD 3.47Å; H290-K293 WeakPolarHBondContact O-CG 3.35Å; K293-E325 HydrophobicContact CB-CB 4.47Å; K293-E325 HydrophobicContact CB-CG 4.06Å; K293-E325 HydrophobicContact CD-CG 4.46Å; K293-E325 VanDerWaalsContact CD-OE2 3.25Å; K293-E325 WeakPolarHBondContact CD-OE2 3.27Å; K293-E325 VanDerWaalsContact CE-OE2 3.31Å; K293-E325 WeakPolarHBondContact CE-OE2 3.43Å; K293-E325 HydrophobicContact CG-CG 4.45Å; K293-E325 IonicContact NZ-OE2 2.81Å; K293-E325 PolarHBondContact NZ-OE2 2.96Å; K293-A328 VanDerWaalsContact O-CB 3.29Å; K293-A328 WeakPolarHBondContact O-CB 3.05Å
294	N	75.4	Confident	83.9	Confident	92 Å²	92	47 Å²	47	49%	0.492	21%	0.214	S	C	.	.			trans	-89.3	113	174.1	-173.6	-2.3	0	0	0	109.3	I292 K296 S297 S300	I292-N294 PolarHBondContact O-N 3.27Å; N294-K296 PolarHBondContact O-N 3.38Å; N294-K296 WeakPolarHBondContact OD1-CB 3.39Å; N294-K296 PolarHBondContact OD1-N 2.91Å; N294-S297 WeakPolarHBondContact O-CB 3.41Å; N294-S297 PolarHBondContact O-N 3.32Å; N294-S297 VanDerWaalsContact O-N 3.1Å; N294-S300 WeakPolarHBondContact O-CB 3.36Å
295	E	76.6	Confident	83.6	Confident	51 Å²	51	51.7 Å²	51.7	24%	0.238	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.9	176.5	69.6	179	148.1	0	0	112.7	S297 H324 W327	E295-S297 PolarHBondContact O-N 3Å; E295-H324 IonicContact OE1-CE1 3.26Å; E295-H324 PolarHBondContact OE1-CE1 3.41Å; E295-H324 IonicContact OE1-NE2 3.29Å; E295-H324 PolarHBondContact OE1-NE2 2.72Å; E295-W327 HydrophobicContact CB-CZ3 4.49Å; E295-W327 WeakPolarHBondContact OE2-CH2 3.36Å; E295-W327 WeakPolarHBondContact OE2-CZ3 3.29Å
296	K	80.5	Confident	83.4	Confident	158 Å²	158	51.9 Å²	51.9	69%	0.687	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.1	-178.2	-55	-174.4	179.7	178.3	0	112.5	N294	N294-K296 PolarHBondContact O-N 3.38Å; N294-K296 WeakPolarHBondContact OD1-CB 3.39Å; N294-K296 PolarHBondContact OD1-N 2.91Å
297	S	82.9	Confident	83.3	Confident	39 Å²	39	60.7 Å²	60.7	27%	0.273	27%	0.27	S	S	.	.	S	Bend	trans	-70.9	132.8	174.3	179.9	0	0	0	0	109.4	N294 E295 L299 S300 E301	N294-S297 WeakPolarHBondContact O-CB 3.41Å; N294-S297 PolarHBondContact O-N 3.32Å; N294-S297 VanDerWaalsContact O-N 3.1Å; E295-S297 PolarHBondContact O-N 3Å; S297-L299 PolarHBondContact O-N 2.79Å; S297-S300 WeakPolarHBondContact O-CA 3.39Å; S297-S300 WeakPolarHBondContact O-CB 3.46Å; S297-S300 PolarHBondContact O-N 2.85Å; S297-E301 PolarHBondContact O-N 3.49Å; S297-E301 VanDerWaalsContact O-N 3.08Å
298	K	84.9	Confident	83.2	Confident	157 Å²	157	61 Å²	61	68%	0.683	27%	0.273	S	S	*	.	H	α-helix	trans	-48.8	-36	175.1	-69.4	-178.2	178.1	177.4	0	112.8	I302	K298-I302 WeakPolarHBondContact O-CB 3.23Å; K298-I302 WeakPolarHBondContact O-CD1 3.24Å; K298-I302 VanDerWaalsContact O-CG1 3.23Å; K298-I302 WeakPolarHBondContact O-CG1 3.36Å; K298-I302 PolarHBondContact O-N 2.65Å; K298-I302 VanDerWaalsContact O-N 3.09Å
299	L	86.2	Confident	83.4	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-45.9	175.9	179.2	69.4	0	0	0	111.8	Y266 A269 I270 R291 I292 S297 I302 V303	Y266-L299 HydrophobicContact CD1-CD1 4.05Å; Y266-L299 HydrophobicContact CD1-CD2 3.4Å; Y266-L299 VanDerWaalsContact CD1-CD2 3.4Å; Y266-L299 HydrophobicContact CD1-CG 4.35Å; Y266-L299 HydrophobicContact CE1-CD2 4.03Å; Y266-L299 HydrophobicContact CG-CD2 3.93Å; A269-L299 HydrophobicContact CB-CD1 4.49Å; I270-L299 HydrophobicContact CD1-CB 4.27Å; I270-L299 HydrophobicContact CD1-CD1 4.46Å; I270-L299 HydrophobicContact CG1-CD1 4.25Å; R291-L299 HydrophobicContact CB-CD2 4.2Å; I292-L299 HydrophobicContact CG2-CD2 3.91Å; I292-L299 HydrophobicContact CG2-CG 4.2Å; S297-L299 PolarHBondContact O-N 2.79Å; L299-I302 PolarHBondContact O-N 3.44Å; L299-V303 HydrophobicContact CD1-CG2 3.9Å; L299-V303 HydrophobicContact CG-CG2 4.32Å; L299-V303 WeakPolarHBondContact O-CB 3.33Å; L299-V303 WeakPolarHBondContact O-CG2 3.44Å; L299-V303 PolarHBondContact O-N 2.91Å
300	S	84.7	Confident	83.9	Confident	0 Å²	0	61 Å²	61	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-45.8	-178.7	-163.9	0	0	0	0	110.5	N294 S297 I302 R304	N294-S300 WeakPolarHBondContact O-CB 3.36Å; S297-S300 WeakPolarHBondContact O-CA 3.39Å; S297-S300 WeakPolarHBondContact O-CB 3.46Å; S297-S300 PolarHBondContact O-N 2.85Å; S300-I302 PolarHBondContact O-N 3.28Å; S300-R304 WeakPolarHBondContact O-CB 3.39Å; S300-R304 VanDerWaalsContact O-CD 3.31Å; S300-R304 WeakPolarHBondContact O-CD 3.42Å; S300-R304 WeakPolarHBondContact O-CG 3.12Å; S300-R304 PolarHBondContact O-N 3.11Å; S300-R304 VanDerWaalsContact O-N 3.1Å; S300-R304 PolarHBondContact OG-NE 3.29Å
301	E	87.2	Confident	84.6	Confident	109 Å²	109	59.3 Å²	59.3	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-57.4	-51.1	175.5	-66.3	178	177.2	0	0	111.8	S297 R304 E305	S297-E301 PolarHBondContact O-N 3.49Å; S297-E301 VanDerWaalsContact O-N 3.08Å; E301-R304 PolarHBondContact O-N 3.32Å; E301-E305 WeakPolarHBondContact O-CG 3.42Å; E301-E305 PolarHBondContact O-N 3.38Å
302	I	89.8	Confident	85.4	Confident	14 Å²	14	52.1 Å²	52.1	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-43.2	-176.7	-70.7	167.4	0	0	0	111.9	I270 K273 K298 L299 S300 R304 E305 F306	I270-I302 HydrophobicContact CB-CD1 4.12Å; I270-I302 HydrophobicContact CG1-CD1 4.02Å; I270-I302 HydrophobicContact CG2-CD1 3.77Å; K273-I302 HydrophobicContact CB-CG2 3.79Å; K273-I302 HydrophobicContact CD-CD1 4.08Å; K273-I302 HydrophobicContact CD-CG1 4.31Å; K298-I302 WeakPolarHBondContact O-CB 3.23Å; K298-I302 WeakPolarHBondContact O-CD1 3.24Å; K298-I302 VanDerWaalsContact O-CG1 3.23Å; K298-I302 WeakPolarHBondContact O-CG1 3.36Å; K298-I302 PolarHBondContact O-N 2.65Å; K298-I302 VanDerWaalsContact O-N 3.09Å; L299-I302 PolarHBondContact O-N 3.44Å; S300-I302 PolarHBondContact O-N 3.28Å; I302-R304 VanDerWaalsContact C-N 3.28Å; I302-R304 PolarHBondContact O-N 2.81Å; I302-E305 WeakPolarHBondContact O-CB 3.47Å; I302-E305 PolarHBondContact O-N 3.48Å; I302-E305 VanDerWaalsContact O-N 3.1Å; I302-F306 HydrophobicContact CG2-CE1 3.95Å; I302-F306 HydrophobicContact CG2-CZ 3.8Å
303	V	89	Confident	86	Confident	3 Å²	3	52 Å²	52	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-29.6	-177.7	178.3	0	0	0	0	111.3	I214 V284 I286 L299 E305 F306 F332	I214-V303 HydrophobicContact CD1-CG1 4.16Å; I214-V303 HydrophobicContact CD1-CG2 3.8Å; V284-V303 HydrophobicContact CG1-CG1 4.39Å; I286-V303 HydrophobicContact CD1-CG1 3.85Å; L299-V303 HydrophobicContact CD1-CG2 3.9Å; L299-V303 HydrophobicContact CG-CG2 4.32Å; L299-V303 WeakPolarHBondContact O-CB 3.33Å; L299-V303 WeakPolarHBondContact O-CG2 3.44Å; L299-V303 PolarHBondContact O-N 2.91Å; V303-E305 PolarHBondContact O-N 3Å; V303-F306 HydrophobicContact CB-CD2 4.46Å; V303-F306 HydrophobicContact CG1-CD2 4.26Å; V303-F306 HydrophobicContact CG2-CE2 4.18Å; V303-F306 WeakPolarHBondContact O-CB 3.42Å; V303-F306 PolarHBondContact O-N 2.84Å; V303-F332 HydrophobicContact CB-CE2 4.38Å; V303-F332 HydrophobicContact CG1-CE2 3.83Å; V303-F332 HydrophobicContact CG1-CZ 3.75Å
304	R	87.5	Confident	86.6	Confident	63 Å²	63	51.4 Å²	51.4	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-25.6	171.8	-72.4	166.2	-173.4	-79.3	8.8	113	S300 E301 I302 F306 A328 N331 F332	S300-R304 WeakPolarHBondContact O-CB 3.39Å; S300-R304 VanDerWaalsContact O-CD 3.31Å; S300-R304 WeakPolarHBondContact O-CD 3.42Å; S300-R304 WeakPolarHBondContact O-CG 3.12Å; S300-R304 PolarHBondContact O-N 3.11Å; S300-R304 VanDerWaalsContact O-N 3.1Å; S300-R304 PolarHBondContact OG-NE 3.29Å; E301-R304 PolarHBondContact O-N 3.32Å; I302-R304 VanDerWaalsContact C-N 3.28Å; I302-R304 PolarHBondContact O-N 2.81Å; R304-F306 VanDerWaalsContact C-N 3.27Å; R304-F306 PolarHBondContact O-N 3.48Å; R304-A328 PolarHBondContact NH2-O 3.06Å; R304-N331 VanDerWaalsContact CZ-OD1 3.24Å; R304-N331 PolarHBondContact NH1-O 3.43Å; R304-N331 PolarHBondContact NH1-OD1 3.48Å; R304-N331 PolarHBondContact NH2-OD1 2.93Å; R304-F332 HydrophobicContact CG-CD2 3.82Å; R304-F332 HydrophobicContact CG-CE2 4.06Å; R304-F332 VanDerWaalsContact NH1-CA 3.28Å
305	E	88.3	Confident	86.8	Confident	100 Å²	100	47.2 Å²	47.2	47%	0.467	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.2	174.9	-60.3	176.1	119.4	0	0	113.1	K277 E301 I302 V303 R307	K277-E305 WeakPolarHBondContact CE-OE2 3.33Å; K277-E305 IonicContact NZ-OE1 3.64Å; K277-E305 PolarHBondContact NZ-OE1 3.24Å; K277-E305 IonicContact NZ-OE2 2.7Å; K277-E305 PolarHBondContact NZ-OE2 3.08Å; E301-E305 WeakPolarHBondContact O-CG 3.42Å; E301-E305 PolarHBondContact O-N 3.38Å; I302-E305 WeakPolarHBondContact O-CB 3.47Å; I302-E305 PolarHBondContact O-N 3.48Å; I302-E305 VanDerWaalsContact O-N 3.1Å; V303-E305 PolarHBondContact O-N 3Å; E305-R307 PolarHBondContact O-N 3.35Å
306	F	90.2	Very high	86.3	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.018	21%	0.208	C	C	.	.	S	Bend	trans	-75.6	123.3	177.8	-61.4	-18.5	0	0	0	110.7	L212 I214 K273 F276 K277 I302 V303 R304 S308	L212-F306 HydrophobicContact CD2-CD2 3.92Å; L212-F306 HydrophobicContact CD2-CE2 4.03Å; I214-F306 HydrophobicContact CD1-CE2 4.45Å; K273-F306 HydrophobicContact CB-CE1 4.48Å; F276-F306 HydrophobicContact CB-CD1 4.21Å; F276-F306 HydrophobicContact CB-CE1 3.64Å; F276-F306 HydrophobicContact CB-CE2 4.07Å; F276-F306 HydrophobicContact CB-CZ 3.57Å; F276-F306 HydrophobicContact CD2-CZ 4.16Å; F276-F306 HydrophobicContact CG-CZ 4.17Å; K277-F306 HydrophobicContact CG-CD1 3.97Å; K277-F306 HydrophobicContact CG-CE1 4.1Å; I302-F306 HydrophobicContact CG2-CE1 3.95Å; I302-F306 HydrophobicContact CG2-CZ 3.8Å; V303-F306 HydrophobicContact CB-CD2 4.46Å; V303-F306 HydrophobicContact CG1-CD2 4.26Å; V303-F306 HydrophobicContact CG2-CE2 4.18Å; V303-F306 WeakPolarHBondContact O-CB 3.42Å; V303-F306 PolarHBondContact O-N 2.84Å; R304-F306 VanDerWaalsContact C-N 3.27Å; R304-F306 PolarHBondContact O-N 3.48Å; F306-S308 PolarHBondContact O-N 2.84Å
307	R	89	Confident	85.6	Confident	187 Å²	187	40.6 Å²	40.6	71%	0.706	19%	0.193	S	C	*	.			trans	-69.8	120	176.3	-66.6	-176.5	177.1	-179.5	-2.3	109.4	W281 E305	W281-R307 PolarHBondContact N-O 3.12Å; E305-R307 PolarHBondContact O-N 3.35Å
308	S	88.8	Confident	84.3	Confident	17 Å²	17	39.2 Å²	39.2	12%	0.119	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.1	-178.6	66.9	0	0	0	0	113	W281 F306 R311	W281-S308 CarbonylContact O-C 3.6Å; W281-S308 WeakPolarHBondContact O-CA 3.42Å; F306-S308 PolarHBondContact O-N 2.84Å; S308-R311 WeakPolarHBondContact OG-CG 3.45Å; S308-R311 PolarHBondContact OG-NH1 3.09Å
309	S	86.6	Confident	83.1	Confident	31 Å²	31	35.2 Å²	35.2	22%	0.217	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-52.2	172.2	-68.3	0	0	0	0	111.9	H280 W281	H280-S309 PolarHBondContact NE2-OG 3.16Å; H280-S309 VanDerWaalsContact NE2-OG 3.1Å; W281-S309 PolarHBondContact O-N 3.03Å
310	N	89.1	Confident	81.5	Confident	9 Å²	9	38 Å²	38	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.6	178	-67.7	-62.1	0	0	0	112.5	F170 N175 K282 Y283 V284	F170-N310 VanDerWaalsContact CD2-ND2 3.33Å; F170-N310 WeakPolarHBondContact CD2-ND2 3.43Å; F170-N310 WeakPolarHBondContact CE2-ND2 3.27Å; N175-N310 WeakPolarHBondContact OD1-CA 3.5Å; N175-N310 PolarHBondContact OD1-OD1 3.42Å; K282-N310 PolarHBondContact O-N 2.69Å; Y283-N310 WeakPolarHBondContact CA-O 3.38Å; Y283-N310 HydrophobicContact CD1-CB 3.94Å; Y283-N310 HydrophobicContact CD2-CB 3.97Å; Y283-N310 HydrophobicContact CE1-CB 3.6Å; Y283-N310 HydrophobicContact CE2-CB 3.68Å; Y283-N310 HydrophobicContact CG-CB 4.11Å; Y283-N310 VanDerWaalsContact CZ-CB 3.46Å; V284-N310 PolarHBondContact N-O 2.88Å
311	R	91.6	Very high	80.2	Confident	31 Å²	31	41.3 Å²	41.3	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.9	-179.8	-64.2	-168.2	-95.2	-102.1	5.1	110.4	N175 G176 V284 S308 F332	N175-R311 WeakPolarHBondContact CA-O 3.39Å; N175-R311 HydrophobicContact CB-CB 4.3Å; N175-R311 VanDerWaalsContact CB-O 3.31Å; N175-R311 WeakPolarHBondContact CB-O 3.4Å; N175-R311 PolarHBondContact OD1-N 3.29Å; G176-R311 PolarHBondContact N-O 3.1Å; V284-R311 HydrophobicContact CB-CG 4.39Å; V284-R311 WeakPolarHBondContact O-CA 3.37Å; S308-R311 WeakPolarHBondContact OG-CG 3.45Å; S308-R311 PolarHBondContact OG-NH1 3.09Å; R311-F332 HydrophobicContact CB-CE1 4.37Å; R311-F332 HydrophobicContact CG-CE1 4.49Å; R311-F332 PolarHBondContact NE-O 3.44Å; R311-F332 PolarHBondContact NH2-O 2.8Å
312	L	91.8	Very high	79	Confident	3 Å²	3	40 Å²	40	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.7	177.1	-175.8	67.7	0	0	0	109.8	M166 G176 T193 L196 Y283 V284 I285 I286 L314	M166-L312 HydrophobicContact SD-CD1 4.04Å; M166-L312 HydrophobicContact SD-CD2 3.77Å; G176-L312 WeakPolarHBondContact O-CA 3.27Å; T193-L312 HydrophobicContact CG2-CD2 3.89Å; L196-L312 HydrophobicContact CD2-CD2 4.4Å; Y283-L312 HydrophobicContact CD1-CB 4.15Å; Y283-L312 HydrophobicContact CE1-CB 4.03Å; V284-L312 PolarHBondContact O-N 3.19Å; I285-L312 WeakPolarHBondContact CA-O 3.26Å; I285-L312 HydrophobicContact CG1-CB 4.08Å; I285-L312 HydrophobicContact CG1-CD2 4.3Å; I286-L312 PolarHBondContact N-O 3.18Å; L312-L314 HydrophobicContact CD2-CD2 3.84Å; L312-L314 HydrophobicContact CG-CD2 3.94Å
313	L	90.4	Very high	77.8	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.2	175.6	-61.2	-175.8	0	0	0	109.9	G176 I177 L178 I286 A289 I292 L329 F332 L333	G176-L313 PolarHBondContact O-N 2.78Å; I177-L313 CarbonylContact C-O 3.59Å; I177-L313 WeakPolarHBondContact CA-O 3.46Å; I177-L313 HydrophobicContact CG1-CB 4.31Å; I177-L313 HydrophobicContact CG1-CD1 4.38Å; I177-L313 HydrophobicContact CG2-CB 4.28Å; L178-L313 PolarHBondContact N-O 3.33Å; I286-L313 HydrophobicContact CB-CD2 3.82Å; I286-L313 HydrophobicContact CD1-CD2 3.94Å; I286-L313 HydrophobicContact CG1-CD2 4.22Å; A289-L313 HydrophobicContact CB-CB 3.85Å; A289-L313 HydrophobicContact CB-CD1 4.44Å; A289-L313 HydrophobicContact CB-CD2 3.94Å; A289-L313 HydrophobicContact CB-CG 4.29Å; I292-L313 HydrophobicContact CD1-CD1 4.03Å; I292-L313 HydrophobicContact CD1-CD2 3.52Å; I292-L313 HydrophobicContact CD1-CG 4.44Å; L313-L329 HydrophobicContact CD1-CD2 3.75Å; L313-F332 HydrophobicContact CD1-CD1 4.04Å; L313-F332 HydrophobicContact CD2-CD1 3.88Å; L313-F332 HydrophobicContact CD2-CE1 3.64Å; L313-F332 HydrophobicContact CG-CD1 4.28Å; L313-F332 HydrophobicContact CG-CE1 4.42Å; L313-L333 HydrophobicContact CD1-CD2 4.07Å; L313-L333 HydrophobicContact CD1-CG 4.22Å; L313-L333 HydrophobicContact CG-CD2 4.03Å
314	L	88.7	Confident	76.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.6	174	-46	176	0	0	0	108.3	L178 K189 W223 I285 I286 E288 A289 L312	L178-L314 HydrophobicContact CB-CD2 3.72Å; L178-L314 HydrophobicContact CD2-CD2 3.97Å; L178-L314 HydrophobicContact CG-CD2 4.4Å; K189-L314 HydrophobicContact CD-CB 4.44Å; W223-L314 HydrophobicContact CH2-CD1 3.64Å; W223-L314 HydrophobicContact CZ2-CD1 3.59Å; I285-L314 HydrophobicContact CG2-CD1 3.88Å; I285-L314 HydrophobicContact CG2-CG 4.21Å; I286-L314 PolarHBondContact O-N 3.12Å; E288-L314 WeakPolarHBondContact CA-O 3.1Å; E288-L314 PolarHBondContact N-O 3.23Å; A289-L314 PolarHBondContact N-O 2.94Å; L312-L314 HydrophobicContact CD2-CD2 3.84Å; L312-L314 HydrophobicContact CG-CD2 3.94Å
315	T	78.3	Confident	76.1	Confident	4 Å²	4	42.6 Å²	42.6	3%	0.025	21%	0.211	C	C	.	.			trans	-152.7	151.3	178.9	-178.9	0	0	0	0	110.7	I177 L178 A179 T317 P318	I177-T315 HydrophobicContact CG2-CG2 3.81Å; L178-T315 PolarHBondContact O-N 3.4Å; L178-T315 VanDerWaalsContact O-N 3.08Å; L178-T315 VanDerWaalsContact O-O 3.13Å; A179-T315 CarbonylContact C-O 3.47Å; A179-T315 VanDerWaalsContact CA-O 3.24Å; A179-T315 WeakPolarHBondContact CA-O 3.25Å; A179-T315 HydrophobicContact CB-CG2 4.35Å; T315-T317 PolarHBondContact OG1-N 3.11Å; T315-T317 VanDerWaalsContact OG1-N 3.16Å; T315-T317 PolarHBondContact OG1-O 3.41Å; T315-P318 HydrophobicContact CG2-CB 4.26Å
316	G	67.7	Low	75.2	Confident	10 Å²	10	38.2 Å²	38.2	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-100.9	-13.4	169.6	0	0	0	0	0	114.2	M182 P318	M182-G316 WeakPolarHBondContact SD-CA 3.23Å; M182-G316 PolarHBondContact SD-N 3.07Å; G316-P318 WeakPolarHBondContact O-CD 3.43Å
317	T	65.2	Low	74.6	Confident	61 Å²	61	38.4 Å²	38.4	37%	0.374	19%	0.192	S	C	.	.	S	Bend	trans	-126.5	72.5	-177.7	52.1	0	0	0	0	107.5	T315 L319	T315-T317 PolarHBondContact OG1-N 3.11Å; T315-T317 VanDerWaalsContact OG1-N 3.16Å; T315-T317 PolarHBondContact OG1-O 3.41Å; T317-L319 PolarHBondContact O-N 3.12Å; T317-L319 VanDerWaalsContact O-N 3.1Å
318	P	55.8	Low	74.1	Confident	9 Å²	9	29.6 Å²	29.6	6%	0.058	16%	0.159	C	C	.	.			trans	-53.3	-38.7	-168.1	15.9	-29.8	0	0	0	113.4	A179 T315 G316 L388	A179-P318 HydrophobicContact CB-CB 3.71Å; A179-P318 HydrophobicContact CB-CG 3.92Å; T315-P318 HydrophobicContact CG2-CB 4.26Å; G316-P318 WeakPolarHBondContact O-CD 3.43Å; P318-L388 HydrophobicContact CB-CD1 3.99Å
319	L	58.8	Low	73.6	Confident	73 Å²	73	29.1 Å²	29.1	38%	0.382	16%	0.155	S	C	.	.			trans	-142.4	132.2	-176	-64.8	168.8	0	0	0	109.2	T317 L326 L329 L384	T317-L319 PolarHBondContact O-N 3.12Å; T317-L319 VanDerWaalsContact O-N 3.1Å; L319-L326 HydrophobicContact CD1-CD1 4.17Å; L319-L326 HydrophobicContact CD2-CB 3.81Å; L319-L326 HydrophobicContact CD2-CD1 3.79Å; L319-L326 HydrophobicContact CD2-CG 4.37Å; L319-L329 HydrophobicContact CD2-CD1 4.18Å; L319-L384 HydrophobicContact CD1-CD1 3.94Å
320	Q	53.1	Low	73.1	Confident	68 Å²	68	27.7 Å²	27.7	32%	0.318	15%	0.145	S	C	.	.			trans	-117	105	168.5	-74.7	-173.5	-2.1	0	0	107.8	N322 E325	Q320-N322 PolarHBondContact O-N 3.4Å; Q320-E325 PolarHBondContact N-OE2 3.31Å
321	N	56.6	Low	72.8	Confident	70 Å²	70	28.2 Å²	28.2	37%	0.374	15%	0.148	S	C	.	.	S	Bend	trans	46.5	9.5	158.5	-61.7	-16.2	0	0	0	120.7	L651 A652	N321-L651 HydrophobicContact CB-CD2 4.5Å; N321-A652 PolarHBondContact ND2-O 2.87Å
322	N	62.4	Low	72.4	Confident	83 Å²	83	26.9 Å²	26.9	44%	0.444	14%	0.143	S	C	.	.			trans	-138.6	117.8	-175.3	-174.1	-9.3	0	0	0	111.5	Q320 H324 E325 L326	Q320-N322 PolarHBondContact O-N 3.4Å; N322-H324 PolarHBondContact O-N 3.4Å; N322-H324 VanDerWaalsContact OD1-CB 3.24Å; N322-H324 WeakPolarHBondContact OD1-CB 3.37Å; N322-H324 PolarHBondContact OD1-N 3.22Å; N322-E325 HydrophobicContact CB-CB 4.41Å; N322-E325 HydrophobicContact CB-CG 3.93Å; N322-E325 WeakPolarHBondContact O-CB 3.5Å; N322-E325 PolarHBondContact O-N 3.5Å; N322-L326 PolarHBondContact O-N 3.17Å
323	L	64.3	Low	71.9	Confident	49 Å²	49	26.7 Å²	26.7	26%	0.257	14%	0.142	S	C	.	.	H	α-helix	trans	-58.4	-31.7	175.9	-79	157.3	0	0	0	112.2	E325 L326 W327 F348	L323-E325 VanDerWaalsContact C-N 3.32Å; L323-E325 PolarHBondContact O-N 3.08Å; L323-L326 VanDerWaalsContact O-CB 3.29Å; L323-L326 WeakPolarHBondContact O-CB 3.43Å; L323-L326 PolarHBondContact O-N 2.77Å; L323-L326 VanDerWaalsContact O-N 3.13Å; L323-W327 PolarHBondContact O-N 2.97Å; L323-F348 HydrophobicContact CD1-CB 4.32Å; L323-F348 HydrophobicContact CD2-CB 4.25Å; L323-F348 HydrophobicContact CD2-CD1 3.99Å; L323-F348 HydrophobicContact CD2-CD2 4.49Å; L323-F348 HydrophobicContact CD2-CG 3.98Å
324	H	71.3	Confident	71.3	Confident	47 Å²	47	26.7 Å²	26.7	22%	0.218	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-32.9	176.1	-161.2	66	0	0	0	112.3	E295 N322 L326 W327 A328	E295-H324 IonicContact OE1-CE1 3.26Å; E295-H324 PolarHBondContact OE1-CE1 3.41Å; E295-H324 IonicContact OE1-NE2 3.29Å; E295-H324 PolarHBondContact OE1-NE2 2.72Å; N322-H324 PolarHBondContact O-N 3.4Å; N322-H324 VanDerWaalsContact OD1-CB 3.24Å; N322-H324 WeakPolarHBondContact OD1-CB 3.37Å; N322-H324 PolarHBondContact OD1-N 3.22Å; H324-L326 VanDerWaalsContact C-N 3.28Å; H324-L326 PolarHBondContact O-N 3.08Å; H324-W327 AromaticContact CE1-CE3 3.6Å; H324-W327 AromaticContact CE1-CZ3 3.79Å; H324-W327 AromaticContact ND1-CE3 3.99Å; H324-W327 PolarHBondContact O-N 3.49Å; H324-A328 WeakPolarHBondContact O-CB 3.19Å; H324-A328 PolarHBondContact O-N 3.22Å
325	E	70.8	Confident	70.7	Confident	37 Å²	37	28.8 Å²	28.8	17%	0.173	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-36.5	172.9	-69.1	-173.4	174	0	0	111.1	K293 Q320 N322 L323 A328 L329	K293-E325 HydrophobicContact CB-CB 4.47Å; K293-E325 HydrophobicContact CB-CG 4.06Å; K293-E325 HydrophobicContact CD-CG 4.46Å; K293-E325 VanDerWaalsContact CD-OE2 3.25Å; K293-E325 WeakPolarHBondContact CD-OE2 3.27Å; K293-E325 VanDerWaalsContact CE-OE2 3.31Å; K293-E325 WeakPolarHBondContact CE-OE2 3.43Å; K293-E325 HydrophobicContact CG-CG 4.45Å; K293-E325 IonicContact NZ-OE2 2.81Å; K293-E325 PolarHBondContact NZ-OE2 2.96Å; Q320-E325 PolarHBondContact N-OE2 3.31Å; N322-E325 HydrophobicContact CB-CB 4.41Å; N322-E325 HydrophobicContact CB-CG 3.93Å; N322-E325 WeakPolarHBondContact O-CB 3.5Å; N322-E325 PolarHBondContact O-N 3.5Å; L323-E325 VanDerWaalsContact C-N 3.32Å; L323-E325 PolarHBondContact O-N 3.08Å; E325-A328 PolarHBondContact O-N 3.44Å; E325-L329 VanDerWaalsContact O-CG 3.31Å; E325-L329 WeakPolarHBondContact O-CG 3.27Å; E325-L329 PolarHBondContact O-N 3.39Å; E325-L329 VanDerWaalsContact O-N 3.09Å
326	L	69.2	Low	70.4	Confident	8 Å²	8	32.1 Å²	32.1	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-48.3	176.1	172.9	59.6	0	0	0	110.7	L319 N322 L323 H324 A328 L329 L330 F344 L384	L319-L326 HydrophobicContact CD1-CD1 4.17Å; L319-L326 HydrophobicContact CD2-CB 3.81Å; L319-L326 HydrophobicContact CD2-CD1 3.79Å; L319-L326 HydrophobicContact CD2-CG 4.37Å; N322-L326 PolarHBondContact O-N 3.17Å; L323-L326 VanDerWaalsContact O-CB 3.29Å; L323-L326 WeakPolarHBondContact O-CB 3.43Å; L323-L326 PolarHBondContact O-N 2.77Å; L323-L326 VanDerWaalsContact O-N 3.13Å; H324-L326 VanDerWaalsContact C-N 3.28Å; H324-L326 PolarHBondContact O-N 3.08Å; L326-A328 VanDerWaalsContact C-N 3.33Å; L326-A328 PolarHBondContact O-N 3.47Å; L326-L329 PolarHBondContact O-N 2.96Å; L326-L330 HydrophobicContact CD1-CD1 3.99Å; L326-L330 HydrophobicContact CD1-CG 4.18Å; L326-L330 HydrophobicContact CG-CD1 4.08Å; L326-L330 WeakPolarHBondContact O-CB 3.23Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.4Å; L326-F344 HydrophobicContact CD2-CZ 4.05Å; L326-F344 HydrophobicContact CG-CZ 4.01Å; L326-L384 HydrophobicContact CD1-CD1 3.39Å; L326-L384 HydrophobicContact CD1-CD2 3.68Å; L326-L384 HydrophobicContact CD1-CG 3.9Å; L326-L384 HydrophobicContact CD2-CD1 4.19Å; L326-L384 HydrophobicContact CG-CD1 4.45Å
327	W	77.9	Confident	70.6	Confident	9 Å²	9	32.4 Å²	32.4	3%	0.034	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-46	174.1	174.4	80.8	0	0	0	111.4	E295 L323 H324 L329 L330 N331 S340 A341 F344	E295-W327 HydrophobicContact CB-CZ3 4.49Å; E295-W327 WeakPolarHBondContact OE2-CH2 3.36Å; E295-W327 WeakPolarHBondContact OE2-CZ3 3.29Å; L323-W327 PolarHBondContact O-N 2.97Å; H324-W327 AromaticContact CE1-CE3 3.6Å; H324-W327 AromaticContact CE1-CZ3 3.79Å; H324-W327 AromaticContact ND1-CE3 3.99Å; H324-W327 PolarHBondContact O-N 3.49Å; W327-L329 VanDerWaalsContact C-N 3.3Å; W327-L329 PolarHBondContact O-N 2.89Å; W327-L330 PolarHBondContact O-N 3.14Å; W327-L330 VanDerWaalsContact O-N 3.12Å; W327-N331 HydrophobicContact CD2-CB 4.38Å; W327-N331 HydrophobicContact CH2-CB 4.48Å; W327-N331 HydrophobicContact CZ2-CB 4.06Å; W327-N331 VanDerWaalsContact O-CB 3.25Å; W327-N331 WeakPolarHBondContact O-CB 3.36Å; W327-N331 PolarHBondContact O-N 2.94Å; W327-S340 PolarHBondContact NE1-O 3.06Å; W327-A341 HydrophobicContact CD2-CB 3.86Å; W327-A341 HydrophobicContact CE3-CB 3.98Å; W327-A341 HydrophobicContact CH2-CB 3.8Å; W327-A341 HydrophobicContact CZ2-CB 3.65Å; W327-A341 HydrophobicContact CZ3-CB 3.96Å; W327-F344 HydrophobicContact CB-CD1 3.58Å; W327-F344 HydrophobicContact CB-CD2 4.47Å; W327-F344 HydrophobicContact CB-CE1 3.72Å; W327-F344 HydrophobicContact CB-CG 3.97Å; W327-F344 HydrophobicContact CB-CZ 4.23Å; W327-F344 AromaticContact CD1-CD1 4Å; W327-F344 AromaticContact CD1-CD2 3.82Å; W327-F344 AromaticContact CD1-CG 3.47Å; W327-F344 VanDerWaalsContact CD1-CG 3.47Å; W327-F344 HydrophobicContact CG-CB 4.14Å; W327-F344 HydrophobicContact CG-CD1 4.09Å; W327-F344 HydrophobicContact CG-CG 4.03Å
328	A	78.3	Confident	71	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-40.4	-178.9	0	0	0	0	0	112.3	K293 R304 H324 E325 L326 F332	K293-A328 VanDerWaalsContact O-CB 3.29Å; K293-A328 WeakPolarHBondContact O-CB 3.05Å; R304-A328 PolarHBondContact NH2-O 3.06Å; H324-A328 WeakPolarHBondContact O-CB 3.19Å; H324-A328 PolarHBondContact O-N 3.22Å; E325-A328 PolarHBondContact O-N 3.44Å; L326-A328 VanDerWaalsContact C-N 3.33Å; L326-A328 PolarHBondContact O-N 3.47Å; A328-F332 WeakPolarHBondContact O-CB 3.48Å; A328-F332 PolarHBondContact O-N 2.91Å
329	L	77.4	Confident	71.8	Confident	7 Å²	7	34.6 Å²	34.6	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-43.3	174.7	-68.3	172.3	0	0	0	112	I292 L313 L319 E325 L326 W327 F332 L333	I292-L329 HydrophobicContact CD1-CD2 4.27Å; I292-L329 HydrophobicContact CG1-CD2 4.33Å; L313-L329 HydrophobicContact CD1-CD2 3.75Å; L319-L329 HydrophobicContact CD2-CD1 4.18Å; E325-L329 VanDerWaalsContact O-CG 3.31Å; E325-L329 WeakPolarHBondContact O-CG 3.27Å; E325-L329 PolarHBondContact O-N 3.39Å; E325-L329 VanDerWaalsContact O-N 3.09Å; L326-L329 PolarHBondContact O-N 2.96Å; W327-L329 VanDerWaalsContact C-N 3.3Å; W327-L329 PolarHBondContact O-N 2.89Å; L329-F332 WeakPolarHBondContact O-CB 3.2Å; L329-F332 PolarHBondContact O-N 3.32Å; L329-L333 WeakPolarHBondContact O-CG 3.3Å; L329-L333 PolarHBondContact O-N 3.08Å
330	L	77.1	Confident	72.6	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-44.3	177.6	-79	175.1	0	0	0	112.2	L326 W327 F332 L333 L334 F338 F344 L384 F387	L326-L330 HydrophobicContact CD1-CD1 3.99Å; L326-L330 HydrophobicContact CD1-CG 4.18Å; L326-L330 HydrophobicContact CG-CD1 4.08Å; L326-L330 WeakPolarHBondContact O-CB 3.23Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.4Å; W327-L330 PolarHBondContact O-N 3.14Å; W327-L330 VanDerWaalsContact O-N 3.12Å; L330-F332 VanDerWaalsContact C-N 3.28Å; L330-F332 PolarHBondContact O-N 3.48Å; L330-L333 PolarHBondContact O-N 2.9Å; L330-L334 PolarHBondContact O-N 3.48Å; L330-F338 HydrophobicContact CB-CD2 3.83Å; L330-F338 HydrophobicContact CB-CE2 3.98Å; L330-F338 HydrophobicContact CB-CG 4.14Å; L330-F338 HydrophobicContact CB-CZ 4.41Å; L330-F338 HydrophobicContact CD1-CE1 4.24Å; L330-F338 HydrophobicContact CD1-CE2 4.37Å; L330-F338 HydrophobicContact CD1-CZ 4.04Å; L330-F338 HydrophobicContact CD2-CE2 4.09Å; L330-F338 HydrophobicContact CD2-CZ 4.4Å; L330-F338 HydrophobicContact CG-CE2 4.39Å; L330-F344 HydrophobicContact CD1-CE2 3.7Å; L330-F344 HydrophobicContact CD1-CZ 3.99Å; L330-L384 HydrophobicContact CD1-CD2 4.33Å; L330-L384 HydrophobicContact CD2-CD2 3.72Å; L330-L384 HydrophobicContact CG-CD2 4.15Å; L330-F387 HydrophobicContact CD2-CD2 4.49Å
331	N	82.9	Confident	73.7	Confident	20 Å²	20	30.3 Å²	30.3	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-33.3	172.9	171.1	-94.1	0	0	0	111.6	R304 W327 L334 P335 F338	R304-N331 VanDerWaalsContact CZ-OD1 3.24Å; R304-N331 PolarHBondContact NH1-O 3.43Å; R304-N331 PolarHBondContact NH1-OD1 3.48Å; R304-N331 PolarHBondContact NH2-OD1 2.93Å; W327-N331 HydrophobicContact CD2-CB 4.38Å; W327-N331 HydrophobicContact CH2-CB 4.48Å; W327-N331 HydrophobicContact CZ2-CB 4.06Å; W327-N331 VanDerWaalsContact O-CB 3.25Å; W327-N331 WeakPolarHBondContact O-CB 3.36Å; W327-N331 PolarHBondContact O-N 2.94Å; N331-L334 CarbonylContact O-C 3.55Å; N331-P335 VanDerWaalsContact O-CA 3.23Å; N331-P335 WeakPolarHBondContact O-CA 3.25Å; N331-P335 WeakPolarHBondContact O-CB 3.48Å; N331-P335 WeakPolarHBondContact O-CD 3.25Å; N331-P335 VanDerWaalsContact O-N 3.09Å; N331-F338 HydrophobicContact CB-CB 4.14Å; N331-F338 PolarHBondContact ND2-O 2.89Å
332	F	81.8	Confident	74.6	Confident	2 Å²	2	33 Å²	33	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-42.1	173	-175.1	-95.5	0	0	0	112.3	I286 I292 V303 R304 R311 L313 A328 L329 L330	I286-F332 HydrophobicContact CD1-CE1 3.72Å; I286-F332 HydrophobicContact CD1-CE2 4.32Å; I286-F332 HydrophobicContact CD1-CZ 3.42Å; I286-F332 VanDerWaalsContact CD1-CZ 3.42Å; I292-F332 HydrophobicContact CD1-CD1 4Å; I292-F332 HydrophobicContact CD1-CD2 4.45Å; I292-F332 HydrophobicContact CD1-CE1 4.13Å; I292-F332 HydrophobicContact CD1-CG 4.17Å; I292-F332 HydrophobicContact CD1-CZ 4.45Å; V303-F332 HydrophobicContact CB-CE2 4.38Å; V303-F332 HydrophobicContact CG1-CE2 3.83Å; V303-F332 HydrophobicContact CG1-CZ 3.75Å; R304-F332 HydrophobicContact CG-CD2 3.82Å; R304-F332 HydrophobicContact CG-CE2 4.06Å; R304-F332 VanDerWaalsContact NH1-CA 3.28Å; R311-F332 HydrophobicContact CB-CE1 4.37Å; R311-F332 HydrophobicContact CG-CE1 4.49Å; R311-F332 PolarHBondContact NE-O 3.44Å; R311-F332 PolarHBondContact NH2-O 2.8Å; L313-F332 HydrophobicContact CD1-CD1 4.04Å; L313-F332 HydrophobicContact CD2-CD1 3.88Å; L313-F332 HydrophobicContact CD2-CE1 3.64Å; L313-F332 HydrophobicContact CG-CD1 4.28Å; L313-F332 HydrophobicContact CG-CE1 4.42Å; A328-F332 WeakPolarHBondContact O-CB 3.48Å; A328-F332 PolarHBondContact O-N 2.91Å; L329-F332 WeakPolarHBondContact O-CB 3.2Å; L329-F332 PolarHBondContact O-N 3.32Å; L330-F332 VanDerWaalsContact C-N 3.28Å; L330-F332 PolarHBondContact O-N 3.48Å
333	L	81.4	Confident	75	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-72.5	-44.7	177.6	-65.4	167.4	0	0	0	111.5	N175 I177 L313 L329 L330	N175-L333 HydrophobicContact CB-CB 3.98Å; N175-L333 HydrophobicContact CB-CD2 3.6Å; N175-L333 HydrophobicContact CB-CG 4.36Å; N175-L333 PolarHBondContact ND2-O 2.99Å; I177-L333 HydrophobicContact CD1-CD1 3.66Å; I177-L333 HydrophobicContact CG1-CD1 3.45Å; I177-L333 VanDerWaalsContact CG1-CD1 3.45Å; L313-L333 HydrophobicContact CD1-CD2 4.07Å; L313-L333 HydrophobicContact CD1-CG 4.22Å; L313-L333 HydrophobicContact CG-CD2 4.03Å; L329-L333 WeakPolarHBondContact O-CG 3.3Å; L329-L333 PolarHBondContact O-N 3.08Å; L330-L333 PolarHBondContact O-N 2.9Å
334	L	78.6	Confident	75.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.			trans	-134.6	72.4	-171.4	-66.8	174.3	0	0	0	110.2	L83 L330 N331 D336 V337 F338 F387	L83-L334 HydrophobicContact CD1-CD1 4.37Å; L330-L334 PolarHBondContact O-N 3.48Å; N331-L334 CarbonylContact O-C 3.55Å; L334-D336 PolarHBondContact O-N 3.43Å; L334-V337 HydrophobicContact CB-CB 4.26Å; L334-V337 HydrophobicContact CB-CG2 4.31Å; L334-V337 PolarHBondContact O-N 3.22Å; L334-F338 HydrophobicContact CB-CD2 4.07Å; L334-F338 HydrophobicContact CB-CE2 4.41Å; L334-F338 HydrophobicContact CD1-CE2 4.36Å; L334-F338 PolarHBondContact O-N 3.04Å; L334-F338 VanDerWaalsContact O-N 3.12Å; L334-F387 HydrophobicContact CD1-CD1 4.44Å; L334-F387 HydrophobicContact CD1-CE1 3.55Å; L334-F387 HydrophobicContact CD1-CE2 4.33Å; L334-F387 HydrophobicContact CD1-CZ 3.45Å; L334-F387 VanDerWaalsContact CD1-CZ 3.45Å
335	P	75.4	Confident	75.2	Confident	44 Å²	44	31.4 Å²	31.4	29%	0.286	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.2	-179.5	25.6	-34.7	0	0	0	112	N331 V337	N331-P335 VanDerWaalsContact O-CA 3.23Å; N331-P335 WeakPolarHBondContact O-CA 3.25Å; N331-P335 WeakPolarHBondContact O-CB 3.48Å; N331-P335 WeakPolarHBondContact O-CD 3.25Å; N331-P335 VanDerWaalsContact O-N 3.09Å; P335-V337 VanDerWaalsContact C-N 3.29Å; P335-V337 PolarHBondContact O-N 3.22Å
336	D	72.4	Confident	75.1	Confident	75 Å²	75	32.4 Å²	32.4	40%	0.401	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.2	-179.7	-56.4	-12.5	0	0	0	113.1	Q76 L334	Q76-D336 PolarHBondContact NE2-OD2 3.3Å; Q76-D336 VanDerWaalsContact NE2-OD2 3.08Å; L334-D336 PolarHBondContact O-N 3.43Å
337	V	72.4	Confident	74.8	Confident	15 Å²	15	35 Å²	35	9%	0.091	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-40.4	-176.8	-177.9	0	0	0	0	111.1	F80 F93 L334 P335	F80-V337 HydrophobicContact CE1-CG2 3.99Å; F80-V337 HydrophobicContact CZ-CG2 4.42Å; F93-V337 HydrophobicContact CB-CG1 4.23Å; L334-V337 HydrophobicContact CB-CB 4.26Å; L334-V337 HydrophobicContact CB-CG2 4.31Å; L334-V337 PolarHBondContact O-N 3.22Å; P335-V337 VanDerWaalsContact C-N 3.29Å; P335-V337 PolarHBondContact O-N 3.22Å
338	F	72.9	Confident	73.8	Confident	6 Å²	6	36 Å²	36	3%	0.026	20%	0.202	C	C	.	.			trans	-108.8	56.2	-173.7	-63.4	-76.6	0	0	0	111.4	L330 N331 L334 F344	L330-F338 HydrophobicContact CB-CD2 3.83Å; L330-F338 HydrophobicContact CB-CE2 3.98Å; L330-F338 HydrophobicContact CB-CG 4.14Å; L330-F338 HydrophobicContact CB-CZ 4.41Å; L330-F338 HydrophobicContact CD1-CE1 4.24Å; L330-F338 HydrophobicContact CD1-CE2 4.37Å; L330-F338 HydrophobicContact CD1-CZ 4.04Å; L330-F338 HydrophobicContact CD2-CE2 4.09Å; L330-F338 HydrophobicContact CD2-CZ 4.4Å; L330-F338 HydrophobicContact CG-CE2 4.39Å; N331-F338 HydrophobicContact CB-CB 4.14Å; N331-F338 PolarHBondContact ND2-O 2.89Å; L334-F338 HydrophobicContact CB-CD2 4.07Å; L334-F338 HydrophobicContact CB-CE2 4.41Å; L334-F338 HydrophobicContact CD1-CE2 4.36Å; L334-F338 PolarHBondContact O-N 3.04Å; L334-F338 VanDerWaalsContact O-N 3.12Å; F338-F344 AromaticContact CD1-CD2 3.86Å; F338-F344 HydrophobicContact CD1-CD2 3.86Å; F338-F344 HydrophobicContact CD1-CE2 4.22Å; F338-F344 AromaticContact CE1-CD2 3.97Å; F338-F344 HydrophobicContact CE1-CD2 3.97Å; F338-F344 HydrophobicContact CE1-CE2 4.01Å
339	N	73.4	Confident	72.8	Confident	111 Å²	111	41 Å²	41	59%	0.594	23%	0.229	S	C	*	.			trans	-74.1	-23.3	-174.5	62.9	-6.8	0	0	0	114.7
340	S	75.6	Confident	71.4	Confident	31 Å²	31	44.3 Å²	44.3	22%	0.217	25%	0.246	C	C	.	.			trans	-118.9	125.6	-175.7	178.8	0	0	0	0	110.6	W327 D342 D343	W327-S340 PolarHBondContact NE1-O 3.06Å; S340-D342 PolarHBondContact OG-N 3.49Å; S340-D343 VanDerWaalsContact CB-OD2 3.22Å; S340-D343 WeakPolarHBondContact CB-OD2 3.23Å; S340-D343 PolarHBondContact OG-N 2.98Å; S340-D343 PolarHBondContact OG-OD2 3.11Å
341	A	75.2	Confident	69.8	Low	19 Å²	19	50.1 Å²	50.1	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-69.3	-41.5	170.9	0	0	0	0	0	110.7	W327 D343 F344 D345	W327-A341 HydrophobicContact CD2-CB 3.86Å; W327-A341 HydrophobicContact CE3-CB 3.98Å; W327-A341 HydrophobicContact CH2-CB 3.8Å; W327-A341 HydrophobicContact CZ2-CB 3.65Å; W327-A341 HydrophobicContact CZ3-CB 3.96Å; A341-D343 VanDerWaalsContact C-N 3.32Å; A341-D343 PolarHBondContact O-N 3.16Å; A341-F344 WeakPolarHBondContact O-CB 3.4Å; A341-F344 PolarHBondContact O-N 3.06Å; A341-F344 VanDerWaalsContact O-N 3.12Å; A341-D345 PolarHBondContact O-N 3.39Å
342	D	75.2	Confident	67.9	Low	127 Å²	127	54.5 Å²	54.5	68%	0.679	31%	0.309	S	S	*	.	H	α-helix	trans	-62	-39.2	-177.3	-61	-31.2	0	0	0	111.7	S340 F344 A346	S340-D342 PolarHBondContact OG-N 3.49Å; D342-F344 VanDerWaalsContact C-N 3.34Å; D342-A346 WeakPolarHBondContact O-CB 3.25Å; D342-A346 PolarHBondContact O-N 2.93Å
343	D	72.5	Confident	66.1	Low	96 Å²	96	58.2 Å²	58.2	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-67.7	-36.4	177.6	-67.8	-21.1	0	0	0	111.8	S340 A341 W347	S340-D343 VanDerWaalsContact CB-OD2 3.22Å; S340-D343 WeakPolarHBondContact CB-OD2 3.23Å; S340-D343 PolarHBondContact OG-N 2.98Å; S340-D343 PolarHBondContact OG-OD2 3.11Å; A341-D343 VanDerWaalsContact C-N 3.32Å; A341-D343 PolarHBondContact O-N 3.16Å; D343-W347 WeakPolarHBondContact O-CB 3.4Å; D343-W347 PolarHBondContact O-N 3.48Å; D343-W347 VanDerWaalsContact O-N 3.11Å
344	F	69.2	Low	64	Low	3 Å²	3	66.6 Å²	66.6	1%	0.013	37%	0.371	C	S	.	.	H	α-helix	trans	-70.8	-49.3	177.5	-174.5	-87.2	0	0	0	110.8	L326 W327 L330 F338 A341 D342 A346 W347 F348	L326-F344 HydrophobicContact CD2-CZ 4.05Å; L326-F344 HydrophobicContact CG-CZ 4.01Å; W327-F344 HydrophobicContact CB-CD1 3.58Å; W327-F344 HydrophobicContact CB-CD2 4.47Å; W327-F344 HydrophobicContact CB-CE1 3.72Å; W327-F344 HydrophobicContact CB-CG 3.97Å; W327-F344 HydrophobicContact CB-CZ 4.23Å; W327-F344 AromaticContact CD1-CD1 4Å; W327-F344 AromaticContact CD1-CD2 3.82Å; W327-F344 AromaticContact CD1-CG 3.47Å; W327-F344 VanDerWaalsContact CD1-CG 3.47Å; W327-F344 HydrophobicContact CG-CB 4.14Å; W327-F344 HydrophobicContact CG-CD1 4.09Å; W327-F344 HydrophobicContact CG-CG 4.03Å; L330-F344 HydrophobicContact CD1-CE2 3.7Å; L330-F344 HydrophobicContact CD1-CZ 3.99Å; F338-F344 AromaticContact CD1-CD2 3.86Å; F338-F344 HydrophobicContact CD1-CD2 3.86Å; F338-F344 HydrophobicContact CD1-CE2 4.22Å; F338-F344 AromaticContact CE1-CD2 3.97Å; F338-F344 HydrophobicContact CE1-CD2 3.97Å; F338-F344 HydrophobicContact CE1-CE2 4.01Å; A341-F344 WeakPolarHBondContact O-CB 3.4Å; A341-F344 PolarHBondContact O-N 3.06Å; A341-F344 VanDerWaalsContact O-N 3.12Å; D342-F344 VanDerWaalsContact C-N 3.34Å; F344-A346 VanDerWaalsContact C-N 3.3Å; F344-A346 PolarHBondContact O-N 3.2Å; F344-W347 WeakPolarHBondContact O-CB 3.34Å; F344-W347 PolarHBondContact O-N 3.23Å; F344-F348 AromaticContact CD1-CD2 3.76Å; F344-F348 HydrophobicContact CD1-CD2 3.76Å; F344-F348 AromaticContact CD1-CE2 3.99Å; F344-F348 HydrophobicContact CD1-CE2 3.99Å; F344-F348 HydrophobicContact CD2-CD2 4.43Å; F344-F348 AromaticContact CD2-CE2 3.98Å; F344-F348 HydrophobicContact CD2-CE2 3.98Å; F344-F348 AromaticContact CE1-CD2 3.5Å; F344-F348 HydrophobicContact CE1-CD2 3.5Å; F344-F348 VanDerWaalsContact CE1-CD2 3.5Å; F344-F348 AromaticContact CE1-CE2 3.45Å; F344-F348 HydrophobicContact CE1-CE2 3.45Å; F344-F348 VanDerWaalsContact CE1-CE2 3.45Å; F344-F348 HydrophobicContact CE1-CZ 4.45Å; F344-F348 HydrophobicContact CE2-CD2 4.22Å; F344-F348 AromaticContact CE2-CE2 3.46Å; F344-F348 HydrophobicContact CE2-CE2 3.46Å; F344-F348 VanDerWaalsContact CE2-CE2 3.46Å; F344-F348 HydrophobicContact CE2-CZ 4.33Å; F344-F348 HydrophobicContact CG-CD2 4.24Å; F344-F348 HydrophobicContact CG-CE2 4.24Å; F344-F348 AromaticContact CZ-CD2 3.76Å; F344-F348 HydrophobicContact CZ-CD2 3.76Å; F344-F348 AromaticContact CZ-CE2 3.16Å; F344-F348 HydrophobicContact CZ-CE2 3.16Å; F344-F348 AromaticContact CZ-CZ 3.95Å; F344-F348 HydrophobicContact CZ-CZ 3.95Å; F344-F348 WeakPolarHBondContact O-CD2 3.46Å; F344-F348 PolarHBondContact O-N 3.21Å; F344-F348 VanDerWaalsContact O-N 3.12Å
345	D	69.6	Low	62.3	Low	46 Å²	46	69.8 Å²	69.8	25%	0.246	40%	0.404	C	S	.	.	H	α-helix	trans	-61.2	-40.4	177	-77.3	-12.2	0	0	0	110.9	A341 W347 F348 N349	A341-D345 PolarHBondContact O-N 3.39Å; D345-W347 VanDerWaalsContact C-N 3.29Å; D345-W347 PolarHBondContact O-N 3.19Å; D345-F348 PolarHBondContact O-N 3.41Å; D345-N349 WeakPolarHBondContact O-CB 3.11Å; D345-N349 PolarHBondContact O-N 3.46Å; D345-N349 PolarHBondContact O-ND2 3.49Å
346	A	68.9	Low	60.6	Low	59 Å²	59	72.2 Å²	72.2	49%	0.488	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-38.1	174.1	0	0	0	0	0	112.1	D342 F344 I350	D342-A346 WeakPolarHBondContact O-CB 3.25Å; D342-A346 PolarHBondContact O-N 2.93Å; F344-A346 VanDerWaalsContact C-N 3.3Å; F344-A346 PolarHBondContact O-N 3.2Å; A346-I350 WeakPolarHBondContact O-CG1 3.32Å
347	W	62.8	Low	59.5	Low	62 Å²	62	74.7 Å²	74.7	24%	0.235	43%	0.428	C	S	.	.	H	α-helix	trans	-68.8	-33.1	179.1	-167.3	84.2	0	0	0	113.4	L89 F93 D343 F344 D345 I350 I379	L89-W347 HydrophobicContact CD2-CH2 3.35Å; L89-W347 HydrophobicContact CD2-CZ2 3.22Å; F93-W347 HydrophobicContact CZ-CB 4.44Å; F93-W347 HydrophobicContact CZ-CD2 4.2Å; F93-W347 HydrophobicContact CZ-CG 4.02Å; D343-W347 WeakPolarHBondContact O-CB 3.4Å; D343-W347 PolarHBondContact O-N 3.48Å; D343-W347 VanDerWaalsContact O-N 3.11Å; F344-W347 WeakPolarHBondContact O-CB 3.34Å; F344-W347 PolarHBondContact O-N 3.23Å; D345-W347 VanDerWaalsContact C-N 3.29Å; D345-W347 PolarHBondContact O-N 3.19Å; W347-I350 VanDerWaalsContact O-CG1 3.3Å; W347-I350 WeakPolarHBondContact O-CG1 3.29Å; W347-I379 HydrophobicContact CH2-CG2 3.51Å; W347-I379 HydrophobicContact CZ3-CG2 3.75Å
348	F	57.8	Low	58.3	Low	30 Å²	30	76.4 Å²	76.4	13%	0.132	44%	0.441	C	S	.	.	H	α-helix	trans	-89.6	-25.8	175.6	-75.2	-82	0	0	0	113.4	L323 F344 D345 I350 I379 D380	L323-F348 HydrophobicContact CD1-CB 4.32Å; L323-F348 HydrophobicContact CD2-CB 4.25Å; L323-F348 HydrophobicContact CD2-CD1 3.99Å; L323-F348 HydrophobicContact CD2-CD2 4.49Å; L323-F348 HydrophobicContact CD2-CG 3.98Å; F344-F348 AromaticContact CD1-CD2 3.76Å; F344-F348 HydrophobicContact CD1-CD2 3.76Å; F344-F348 AromaticContact CD1-CE2 3.99Å; F344-F348 HydrophobicContact CD1-CE2 3.99Å; F344-F348 HydrophobicContact CD2-CD2 4.43Å; F344-F348 AromaticContact CD2-CE2 3.98Å; F344-F348 HydrophobicContact CD2-CE2 3.98Å; F344-F348 AromaticContact CE1-CD2 3.5Å; F344-F348 HydrophobicContact CE1-CD2 3.5Å; F344-F348 VanDerWaalsContact CE1-CD2 3.5Å; F344-F348 AromaticContact CE1-CE2 3.45Å; F344-F348 HydrophobicContact CE1-CE2 3.45Å; F344-F348 VanDerWaalsContact CE1-CE2 3.45Å; F344-F348 HydrophobicContact CE1-CZ 4.45Å; F344-F348 HydrophobicContact CE2-CD2 4.22Å; F344-F348 AromaticContact CE2-CE2 3.46Å; F344-F348 HydrophobicContact CE2-CE2 3.46Å; F344-F348 VanDerWaalsContact CE2-CE2 3.46Å; F344-F348 HydrophobicContact CE2-CZ 4.33Å; F344-F348 HydrophobicContact CG-CD2 4.24Å; F344-F348 HydrophobicContact CG-CE2 4.24Å; F344-F348 AromaticContact CZ-CD2 3.76Å; F344-F348 HydrophobicContact CZ-CD2 3.76Å; F344-F348 AromaticContact CZ-CE2 3.16Å; F344-F348 HydrophobicContact CZ-CE2 3.16Å; F344-F348 AromaticContact CZ-CZ 3.95Å; F344-F348 HydrophobicContact CZ-CZ 3.95Å; F344-F348 WeakPolarHBondContact O-CD2 3.46Å; F344-F348 PolarHBondContact O-N 3.21Å; F344-F348 VanDerWaalsContact O-N 3.12Å; D345-F348 PolarHBondContact O-N 3.41Å; F348-I350 PolarHBondContact O-N 3.38Å; F348-I379 HydrophobicContact CE1-CG2 4.5Å; F348-D380 WeakPolarHBondContact CE1-OD1 3.46Å
349	N	56.8	Low	57.1	Low	106 Å²	106	80.5 Å²	80.5	57%	0.567	46%	0.463	S	S	*	.			trans	-75.6	5	174.6	-75	-38.7	0	0	0	113.4	D345 N351	D345-N349 WeakPolarHBondContact O-CB 3.11Å; D345-N349 PolarHBondContact O-N 3.46Å; D345-N349 PolarHBondContact O-ND2 3.49Å; N349-N351 PolarHBondContact O-N 3.45Å
350	I	46.8	Very low	56	Low	76 Å²	76	78.5 Å²	78.5	39%	0.39	45%	0.454	S	S	.	.			trans	-72.8	42.8	172	-41.6	-178.5	0	0	0	112	A346 W347 F348 S352 C353	A346-I350 WeakPolarHBondContact O-CG1 3.32Å; W347-I350 VanDerWaalsContact O-CG1 3.3Å; W347-I350 WeakPolarHBondContact O-CG1 3.29Å; F348-I350 PolarHBondContact O-N 3.38Å; I350-S352 PolarHBondContact O-N 2.62Å; I350-S352 VanDerWaalsContact O-N 3.15Å; I350-C353 HydrophobicContact CG2-CB 3.28Å; I350-C353 WeakPolarHBondContact CG2-SG 3.41Å; I350-C353 PolarHBondContact O-N 3.29Å
351	N	45.2	Very low	54.5	Low	125 Å²	125	83.6 Å²	83.6	67%	0.668	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	8.1	154.7	-78.1	-33.9	0	0	0	111.9	N349 F354	N349-N351 PolarHBondContact O-N 3.45Å; N351-F354 WeakPolarHBondContact O-CD2 3.49Å
352	S	42.9	Very low	52.9	Low	112 Å²	112	90.3 Å²	90.3	78%	0.783	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-5.7	170.1	-50.1	0	0	0	0	113.8	I350	I350-S352 PolarHBondContact O-N 2.62Å; I350-S352 VanDerWaalsContact O-N 3.15Å
353	C	43	Very low	51.3	Low	80 Å²	80	87.6 Å²	87.6	54%	0.541	48%	0.481	S	S	.	.			trans	-94.7	23.9	177.4	-78.4	0	0	0	0	114.3	I350 G355	I350-C353 HydrophobicContact CG2-CB 3.28Å; I350-C353 WeakPolarHBondContact CG2-SG 3.41Å; I350-C353 PolarHBondContact O-N 3.29Å; C353-G355 PolarHBondContact O-N 3.08Å
354	F	38	Very low	49.8	Very low	175 Å²	175	87.4 Å²	87.4	77%	0.768	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	71.8	160.9	-74.1	-80.9	0	0	0	109.9	N351	N351-F354 WeakPolarHBondContact O-CD2 3.49Å
355	G	41.8	Very low	48	Very low	68 Å²	68	94.4 Å²	94.4	70%	0.701	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-166.7	-19.2	178.9	0	0	0	0	0	114.8	C353	C353-G355 PolarHBondContact O-N 3.08Å
356	D	41.3	Very low	46.6	Very low	94 Å²	94	97.3 Å²	97.3	50%	0.503	53%	0.531	S	S	.	.			trans	-107.8	88.1	-176.6	-140.7	-20.2	0	0	0	111.2	S358 L359	D356-S358 PolarHBondContact O-N 3.33Å; D356-S358 PolarHBondContact OD1-OG 3.29Å; D356-L359 PolarHBondContact O-N 3.12Å
357	N	47.8	Very low	45.2	Very low	128 Å²	128	96.7 Å²	96.7	68%	0.684	52%	0.522	S	S	*	.	H	α-helix	trans	-54.9	-21.9	-177.1	-73.8	-25	0	0	0	113.3	E361	N357-E361 WeakPolarHBondContact O-CB 3.46Å; N357-E361 WeakPolarHBondContact O-CG 3.48Å; N357-E361 PolarHBondContact O-N 2.75Å
358	S	48.5	Very low	43.9	Very low	50 Å²	50	104.4 Å²	104.4	35%	0.35	55%	0.552	S	S	.	*	H	α-helix	trans	-74.7	-23.1	-176.8	78.1	0	0	0	0	115.1	D356 R362	D356-S358 PolarHBondContact O-N 3.33Å; D356-S358 PolarHBondContact OD1-OG 3.29Å; S358-R362 PolarHBondContact O-NE 2.8Å
359	L	46.8	Very low	42.9	Very low	93 Å²	93	113.7 Å²	113.7	49%	0.487	59%	0.586	S	S	.	*	H	α-helix	trans	-90.8	-37.8	176.6	-86.8	163.5	0	0	0	111.4	D356 R362 L363	D356-L359 PolarHBondContact O-N 3.12Å; L359-R362 PolarHBondContact O-N 3.33Å; L359-L363 WeakPolarHBondContact O-CB 3.49Å; L359-L363 WeakPolarHBondContact O-CG 3.5Å; L359-L363 PolarHBondContact O-N 3.08Å
360	V	49.6	Very low	41.8	Very low	69 Å²	69	117.3 Å²	117.3	42%	0.418	60%	0.597	S	S	.	*	H	α-helix	trans	-65	-39.4	174.3	-177.4	0	0	0	0	110.8	L363 H364	V360-L363 PolarHBondContact O-N 3.42Å; V360-H364 VanDerWaalsContact O-CB 3.29Å; V360-H364 WeakPolarHBondContact O-CB 3.47Å; V360-H364 PolarHBondContact O-N 3.21Å
361	E	44.2	Very low	41	Very low	138 Å²	138	123.4 Å²	123.4	65%	0.645	62%	0.621	S	S	*	*	H	α-helix	trans	-67	-37.5	173.1	-82.1	-175.9	157.6	0	0	113.1	N357 H364 M365	N357-E361 WeakPolarHBondContact O-CB 3.46Å; N357-E361 WeakPolarHBondContact O-CG 3.48Å; N357-E361 PolarHBondContact O-N 2.75Å; E361-H364 PolarHBondContact O-N 2.76Å; E361-M365 WeakPolarHBondContact O-CB 3.41Å; E361-M365 PolarHBondContact O-N 3.34Å
362	R	43.3	Very low	40.5	Very low	159 Å²	159	121.3 Å²	121.3	60%	0.6	62%	0.621	S	S	*	*	H	α-helix	trans	-67.7	-40.5	175.5	-86.9	-177.5	-84.9	-173.9	-5	112.2	S358 L359 M365 V366	S358-R362 PolarHBondContact O-NE 2.8Å; L359-R362 PolarHBondContact O-N 3.33Å; R362-M365 PolarHBondContact O-N 3.31Å; R362-V366 WeakPolarHBondContact O-CG2 3.31Å; R362-V366 PolarHBondContact O-N 3.1Å
363	L	41.7	Very low	40	Very low	70 Å²	70	121.6 Å²	121.6	37%	0.366	62%	0.62	S	S	.	*	H	α-helix	trans	-67.6	-38	174.1	-74.3	161.8	0	0	0	111.9	L359 V360 S367	L359-L363 WeakPolarHBondContact O-CB 3.49Å; L359-L363 WeakPolarHBondContact O-CG 3.5Å; L359-L363 PolarHBondContact O-N 3.08Å; V360-L363 PolarHBondContact O-N 3.42Å; L363-S367 WeakPolarHBondContact O-CB 3.21Å; L363-S367 PolarHBondContact O-N 3.25Å
364	H	39.4	Very low	39.8	Very low	92 Å²	92	123.6 Å²	123.6	43%	0.426	63%	0.63	S	S	.	*	H	α-helix	trans	-71.7	-32.1	173.4	-93.5	174.4	0	0	0	114	V360 E361 S367 R368	V360-H364 VanDerWaalsContact O-CB 3.29Å; V360-H364 WeakPolarHBondContact O-CB 3.47Å; V360-H364 PolarHBondContact O-N 3.21Å; E361-H364 PolarHBondContact O-N 2.76Å; H364-S367 PolarHBondContact O-N 2.69Å; H364-R368 PolarHBondContact O-N 2.94Å
365	M	32.4	Very low	39.7	Very low	150 Å²	150	119.8 Å²	119.8	74%	0.739	62%	0.621	S	S	*	*	H	α-helix	trans	-68.5	-41.2	178.1	-111.3	-175.8	62	0	0	112.2	E361 R362 S367 R368	E361-M365 WeakPolarHBondContact O-CB 3.41Å; E361-M365 PolarHBondContact O-N 3.34Å; R362-M365 PolarHBondContact O-N 3.31Å; M365-S367 VanDerWaalsContact C-N 3.34Å; M365-R368 PolarHBondContact O-N 2.7Å
366	V	39.6	Very low	39.7	Very low	108 Å²	108	120.9 Å²	120.9	66%	0.655	61%	0.614	S	S	*	*	H	α-helix	trans	-71.8	-33.2	177.7	-179.4	0	0	0	0	110.7	R362 R368	R362-V366 WeakPolarHBondContact O-CG2 3.31Å; R362-V366 PolarHBondContact O-N 3.1Å; V366-R368 VanDerWaalsContact C-N 3.32Å; V366-R368 PolarHBondContact O-N 2.93Å
367	S	40.7	Very low	39.9	Very low	45 Å²	45	118.7 Å²	118.7	32%	0.315	60%	0.602	S	S	.	*	H	α-helix	trans	-75.6	-11.7	177.6	-157.1	0	0	0	0	114.7	L363 H364 M365	L363-S367 WeakPolarHBondContact O-CB 3.21Å; L363-S367 PolarHBondContact O-N 3.25Å; H364-S367 PolarHBondContact O-N 2.69Å; M365-S367 VanDerWaalsContact C-N 3.34Å
368	R	34.9	Very low	39.7	Very low	224 Å²	224	114.7 Å²	114.7	85%	0.845	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-11.2	-178.1	-104.3	-172.3	-175.8	-171.8	3.3	115.4	H364 M365 V366	H364-R368 PolarHBondContact O-N 2.94Å; M365-R368 PolarHBondContact O-N 2.7Å; V366-R368 VanDerWaalsContact C-N 3.32Å; V366-R368 PolarHBondContact O-N 2.93Å
369	R	36.3	Very low	39.3	Very low	226 Å²	226	116.1 Å²	116.1	85%	0.853	59%	0.59	S	S	*	*	S	Bend	trans	-90.3	-7.4	-171.5	-145.4	161.8	170.5	134.9	-4.1	114.2
370	F	33	Very low	39.4	Very low	182 Å²	182	113.6 Å²	113.6	80%	0.798	58%	0.577	S	S	*	*	S	Bend	trans	-154.9	125.5	171.8	-91.6	-98.7	0	0	0	107.1
371	F	30.3	Very low	39.5	Very low	203 Å²	203	116.3 Å²	116.3	89%	0.89	59%	0.588	S	S	*	*			trans	98.3	144.7	167.5	-97	-103.9	0	0	0	122.2
372	A	34.3	Very low	39.8	Very low	81 Å²	81	112.8 Å²	112.8	67%	0.669	57%	0.572	S	S	*	*			trans	-63.7	165.8	-178.1	0	0	0	0	0	115.1	T374	A372-T374 PolarHBondContact O-N 2.69Å
373	P	34.3	Very low	40.6	Very low	118 Å²	118	105.7 Å²	105.7	77%	0.766	55%	0.547	S	S	*	.	S	Bend	trans	-93.6	101.8	-162.6	35.3	-28.5	0	0	0	112.9
374	T	38.1	Very low	41.7	Very low	122 Å²	122	102.7 Å²	102.7	75%	0.748	53%	0.531	S	S	*	.			trans	-148.1	97.7	152.8	-49.2	0	0	0	0	109	A372	A372-T374 PolarHBondContact O-N 2.69Å
375	V	36.3	Very low	43	Very low	95 Å²	95	106.2 Å²	106.2	58%	0.576	55%	0.545	S	S	*	.			trans	-97.4	100.3	-174.4	-179.1	0	0	0	0	108.6
376	T	40.4	Very low	44.8	Very low	91 Å²	91	99.8 Å²	99.8	56%	0.558	51%	0.514	S	S	*	.	S	Bend	trans	-157.5	-10.8	154.6	29.9	0	0	0	0	115.9
377	N	45.8	Very low	46.5	Very low	48 Å²	48	94.7 Å²	94.7	26%	0.257	48%	0.483	S	S	.	.	S	Bend	trans	-133.5	22.7	179.8	-55.1	-60.6	0	0	0	114.3	I379 Q648 G649	N377-I379 VanDerWaalsContact C-N 3.3Å; N377-I379 PolarHBondContact O-N 3.16Å; N377-Q648 PolarHBondContact ND2-O 2.74Å; N377-G649 VanDerWaalsContact ND2-CA 3.27Å; N377-G649 WeakPolarHBondContact ND2-CA 3.45Å; N377-G649 PolarHBondContact ND2-O 3.47Å; N377-G649 PolarHBondContact OD1-O 2.88Å
378	A	43.3	Very low	48.3	Very low	45 Å²	45	94 Å²	94	37%	0.372	48%	0.476	S	S	.	.	H	α-helix	trans	-73.8	-18	-171.2	0	0	0	0	0	114.2	Q382	A378-Q382 WeakPolarHBondContact O-CG 3.31Å; A378-Q382 PolarHBondContact O-N 2.93Å
379	I	41.3	Very low	50.4	Low	80 Å²	80	84.9 Å²	84.9	41%	0.41	44%	0.444	S	S	.	.	H	α-helix	trans	-72.6	-45.8	-175.9	-57	174.7	0	0	0	110.4	W347 F348 N377 L381 Q382	W347-I379 HydrophobicContact CH2-CG2 3.51Å; W347-I379 HydrophobicContact CZ3-CG2 3.75Å; F348-I379 HydrophobicContact CE1-CG2 4.5Å; N377-I379 VanDerWaalsContact C-N 3.3Å; N377-I379 PolarHBondContact O-N 3.16Å; I379-L381 PolarHBondContact O-N 3.06Å; I379-Q382 PolarHBondContact O-N 2.77Å
380	D	49.3	Very low	52.3	Low	40 Å²	40	80.1 Å²	80.1	21%	0.214	43%	0.426	C	S	.	.	H	α-helix	trans	-63.6	-37.8	-176.6	-56.1	1.2	0	0	0	112.7	F348 L384	F348-D380 WeakPolarHBondContact CE1-OD1 3.46Å; D380-L384 WeakPolarHBondContact O-CD1 3.47Å
381	L	49.9	Very low	54.3	Low	125 Å²	125	72.8 Å²	72.8	65%	0.654	39%	0.393	S	S	*	.	H	α-helix	trans	-78	-29	-179.4	-93.1	100.5	0	0	0	113.4	I379 L384 K385	I379-L381 PolarHBondContact O-N 3.06Å; L381-L384 PolarHBondContact O-N 2.69Å; L381-K385 WeakPolarHBondContact O-CB 3.44Å; L381-K385 PolarHBondContact O-N 3.37Å
382	Q	50.9	Low	56.2	Low	65 Å²	65	66.3 Å²	66.3	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-67.6	-38.4	-177.4	-81	-177.3	1.6	0	0	112.3	A378 I379 L384	A378-Q382 WeakPolarHBondContact O-CG 3.31Å; A378-Q382 PolarHBondContact O-N 2.93Å; I379-Q382 PolarHBondContact O-N 2.77Å; Q382-L384 VanDerWaalsContact C-N 3.32Å
383	V	60.1	Low	57.6	Low	10 Å²	10	63.6 Å²	63.6	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-35.7	176.2	-178.4	0	0	0	0	111.1	L89 F90 F387	L89-V383 HydrophobicContact CD2-CG2 4.15Å; F90-V383 HydrophobicContact CE1-CG1 4.42Å; F90-V383 HydrophobicContact CZ-CG1 4.23Å; V383-F387 WeakPolarHBondContact O-CD2 3.14Å
384	L	65.3	Low	59.1	Low	6 Å²	6	62.4 Å²	62.4	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-83.9	-24.4	-177.9	-75.9	170	0	0	0	114.7	L319 L326 L330 D380 L381 Q382 P386 F387 L388	L319-L384 HydrophobicContact CD1-CD1 3.94Å; L326-L384 HydrophobicContact CD1-CD1 3.39Å; L326-L384 HydrophobicContact CD1-CD2 3.68Å; L326-L384 HydrophobicContact CD1-CG 3.9Å; L326-L384 HydrophobicContact CD2-CD1 4.19Å; L326-L384 HydrophobicContact CG-CD1 4.45Å; L330-L384 HydrophobicContact CD1-CD2 4.33Å; L330-L384 HydrophobicContact CD2-CD2 3.72Å; L330-L384 HydrophobicContact CG-CD2 4.15Å; D380-L384 WeakPolarHBondContact O-CD1 3.47Å; L381-L384 PolarHBondContact O-N 2.69Å; Q382-L384 VanDerWaalsContact C-N 3.32Å; L384-P386 VanDerWaalsContact C-N 3.28Å; L384-P386 VanDerWaalsContact O-N 3.13Å; L384-F387 CarbonylContact O-C 3.56Å; L384-F387 PolarHBondContact O-N 3.37Å; L384-L388 HydrophobicContact CB-CB 4.36Å; L384-L388 WeakPolarHBondContact O-CB 3.24Å; L384-L388 PolarHBondContact O-N 3.33Å
385	K	66.4	Low	60.5	Low	166 Å²	166	62.6 Å²	62.6	72%	0.722	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-37.6	-171.7	-164.5	176.5	-177.5	179.2	0	114.1	L381	L381-K385 WeakPolarHBondContact O-CB 3.44Å; L381-K385 PolarHBondContact O-N 3.37Å
386	P	70.2	Confident	62	Low	16 Å²	16	59.6 Å²	59.6	10%	0.104	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-34	175.4	-20.5	34.3	0	0	0	113.3	K86 L169 L384	K86-P386 HydrophobicContact CB-CG 4.47Å; L169-P386 WeakPolarHBondContact CD2-O 2.96Å; L384-P386 VanDerWaalsContact C-N 3.28Å; L384-P386 VanDerWaalsContact O-N 3.13Å
387	F	75.8	Confident	63.1	Low	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-17.6	-173.5	-50.6	-71.2	0	0	0	113.9	L83 F90 W165 I174 N175 G176 I177 L330 L334 V383 L384	L83-F387 HydrophobicContact CD1-CZ 4.41Å; L83-F387 HydrophobicContact CD2-CE1 3.62Å; L83-F387 HydrophobicContact CD2-CE2 4.32Å; L83-F387 HydrophobicContact CD2-CZ 3.27Å; L83-F387 HydrophobicContact CG-CZ 4.47Å; F90-F387 HydrophobicContact CE1-CE2 4.1Å; F90-F387 HydrophobicContact CE1-CZ 4.21Å; F90-F387 AromaticContact CZ-CE2 3.63Å; F90-F387 HydrophobicContact CZ-CE2 3.63Å; F90-F387 AromaticContact CZ-CZ 3.93Å; F90-F387 HydrophobicContact CZ-CZ 3.93Å; W165-F387 WeakPolarHBondContact CH2-O 3.37Å; W165-F387 WeakPolarHBondContact CZ2-O 3.26Å; I174-F387 HydrophobicContact CG2-CD1 3.43Å; I174-F387 VanDerWaalsContact CG2-CD1 3.43Å; I174-F387 HydrophobicContact CG2-CE1 3.45Å; I174-F387 VanDerWaalsContact CG2-CE1 3.45Å; N175-F387 WeakPolarHBondContact O-CD1 3.28Å; G176-F387 CarbonylContact C-O 3.6Å; G176-F387 WeakPolarHBondContact CA-O 3.41Å; I177-F387 PolarHBondContact N-O 3.33Å; L330-F387 HydrophobicContact CD2-CD2 4.49Å; L334-F387 HydrophobicContact CD1-CD1 4.44Å; L334-F387 HydrophobicContact CD1-CE1 3.55Å; L334-F387 HydrophobicContact CD1-CE2 4.33Å; L334-F387 HydrophobicContact CD1-CZ 3.45Å; L334-F387 VanDerWaalsContact CD1-CZ 3.45Å; V383-F387 WeakPolarHBondContact O-CD2 3.14Å; L384-F387 CarbonylContact O-C 3.56Å; L384-F387 PolarHBondContact O-N 3.37Å
388	L	77.9	Confident	64	Low	32 Å²	32	63.4 Å²	63.4	17%	0.168	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118	-171.1	-172.5	152.7	0	0	0	110.9	I177 A179 P318 L384 R390	I177-L388 HydrophobicContact CB-CB 4.5Å; I177-L388 HydrophobicContact CB-CG 4.42Å; I177-L388 WeakPolarHBondContact O-CA 3.42Å; A179-L388 HydrophobicContact CB-CD1 4.19Å; A179-L388 HydrophobicContact CB-CD2 3.87Å; A179-L388 HydrophobicContact CB-CG 3.82Å; P318-L388 HydrophobicContact CB-CD1 3.99Å; L384-L388 HydrophobicContact CB-CB 4.36Å; L384-L388 WeakPolarHBondContact O-CB 3.24Å; L384-L388 PolarHBondContact O-N 3.33Å; L388-R390 HydrophobicContact CD2-CB 3.64Å
389	L	80.2	Confident	65.3	Low	32 Å²	32	65.3 Å²	65.3	17%	0.168	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.6	169.2	-175.9	64.4	0	0	0	109.4	W165 I177 L178 A179 D180	W165-L389 HydrophobicContact CB-CD2 4.23Å; W165-L389 HydrophobicContact CD2-CB 3.78Å; W165-L389 HydrophobicContact CD2-CD2 3.89Å; W165-L389 HydrophobicContact CD2-CG 4.34Å; W165-L389 HydrophobicContact CE3-CB 3.7Å; W165-L389 HydrophobicContact CE3-CD2 3.72Å; W165-L389 HydrophobicContact CE3-CG 4.34Å; W165-L389 HydrophobicContact CG-CD2 4.12Å; W165-L389 HydrophobicContact CH2-CB 3.67Å; W165-L389 HydrophobicContact CZ2-CB 3.74Å; W165-L389 HydrophobicContact CZ3-CB 3.65Å; W165-L389 HydrophobicContact CZ3-CD2 4.39Å; I177-L389 PolarHBondContact O-N 3.44Å; L178-L389 HydrophobicContact CD1-CB 4.18Å; L178-L389 HydrophobicContact CD1-CD2 3.87Å; L178-L389 HydrophobicContact CD1-CG 4.29Å; A179-L389 CarbonylContact C-O 3.58Å; A179-L389 WeakPolarHBondContact CA-O 3.46Å; A179-L389 WeakPolarHBondContact CB-O 3.44Å; A179-L389 PolarHBondContact N-O 3.16Å; D180-L389 PolarHBondContact N-O 3.48Å
390	R	76.1	Confident	66.7	Low	126 Å²	126	62.7 Å²	62.7	48%	0.475	32%	0.318	S	S	.	.			trans	-129.4	127.5	175.8	177.9	174.8	-172.8	-177.2	-0.8	109.9	A179 L388	A179-R390 HydrophobicContact CB-CB 4.09Å; A179-R390 WeakPolarHBondContact O-CG 3.44Å; L388-R390 HydrophobicContact CD2-CB 3.64Å
391	R	75.2	Confident	68	Low	28 Å²	28	62.5 Å²	62.5	11%	0.106	32%	0.319	C	S	.	.			trans	-131.7	146.6	176.2	-64.3	169.2	-71.7	-161.9	3.6	110.2	Y158 D180 E181 L187 V396	Y158-R391 PolarHBondContact O-NH1 3.17Å; D180-R391 WeakPolarHBondContact OD1-CB 3.35Å; D180-R391 IonicContact OD1-CZ 3.42Å; D180-R391 PolarHBondContact OD1-N 3.35Å; D180-R391 IonicContact OD1-NE 2.72Å; D180-R391 PolarHBondContact OD1-NE 2.8Å; D180-R391 IonicContact OD1-NH2 3.07Å; D180-R391 PolarHBondContact OD1-NH2 3.22Å; D180-R391 IonicContact OD2-CZ 2.93Å; D180-R391 IonicContact OD2-NE 2.81Å; D180-R391 IonicContact OD2-NH2 2.91Å; D180-R391 PolarHBondContact OD2-NH2 2.79Å; E181-R391 PolarHBondContact N-O 3.46Å; L187-R391 HydrophobicContact CD1-CB 3.85Å; L187-R391 WeakPolarHBondContact CD1-O 3.29Å; R391-V396 HydrophobicContact CB-CG2 4.15Å
392	L	68.5	Low	69.4	Low	66 Å²	66	61.4 Å²	61.4	35%	0.346	32%	0.32	S	S	.	.			trans	-94.2	146.9	178.5	-63	172.1	0	0	0	111	E181 S394 E395 V396	E181-L392 WeakPolarHBondContact OE2-CA 3.44Å; L392-S394 PolarHBondContact O-N 3.36Å; L392-E395 HydrophobicContact CB-CG 4.08Å; L392-E395 PolarHBondContact N-OE2 2.97Å; L392-E395 VanDerWaalsContact N-OE2 3.08Å; L392-E395 WeakPolarHBondContact O-CB 3.04Å; L392-E395 PolarHBondContact O-N 2.97Å; L392-V396 WeakPolarHBondContact O-CG2 3.5Å; L392-V396 PolarHBondContact O-N 3.1Å
393	K	64.7	Low	71	Confident	25 Å²	25	61.4 Å²	61.4	11%	0.109	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-37.4	179.3	-176.4	175.3	177.4	178.4	0	112.4	E181 V183 E395 V396 E397 H608	E181-K393 PolarHBondContact OE2-N 3.3Å; V183-K393 HydrophobicContact CB-CD 3.82Å; V183-K393 HydrophobicContact CG1-CD 3.73Å; V183-K393 HydrophobicContact CG2-CB 4.11Å; V183-K393 HydrophobicContact CG2-CD 3.88Å; K393-E395 PolarHBondContact O-N 3.1Å; K393-V396 PolarHBondContact O-N 3.33Å; K393-E397 PolarHBondContact O-N 3.47Å; K393-H608 PolarHBondContact NZ-O 3.21Å
394	S	65.9	Low	72.3	Confident	92 Å²	92	67 Å²	67	64%	0.643	34%	0.342	S	S	*	.	H	α-helix	trans	-62.3	-28.1	177.8	52.5	0	0	0	0	113.7	L392	L392-S394 PolarHBondContact O-N 3.36Å
395	E	66.6	Low	73.4	Confident	126 Å²	126	69.9 Å²	69.9	59%	0.589	36%	0.356	S	S	*	.	H	α-helix	trans	-78.4	-30	178.3	-64	170.9	162.5	0	0	111.5	L392 K393	L392-E395 HydrophobicContact CB-CG 4.08Å; L392-E395 PolarHBondContact N-OE2 2.97Å; L392-E395 VanDerWaalsContact N-OE2 3.08Å; L392-E395 WeakPolarHBondContact O-CB 3.04Å; L392-E395 PolarHBondContact O-N 2.97Å; K393-E395 PolarHBondContact O-N 3.1Å
396	V	67.9	Low	74.5	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-101.5	-35.6	-165.6	177.9	0	0	0	0	112.9	Y158 L187 R391 L392 K393	Y158-V396 HydrophobicContact CD1-CB 4.46Å; Y158-V396 HydrophobicContact CD1-CG1 2.99Å; Y158-V396 HydrophobicContact CD2-CG1 3.58Å; Y158-V396 HydrophobicContact CD2-CG2 4.48Å; Y158-V396 HydrophobicContact CE1-CG1 3.25Å; Y158-V396 HydrophobicContact CE2-CG1 3.84Å; Y158-V396 HydrophobicContact CG-CB 4.38Å; Y158-V396 HydrophobicContact CG-CG1 3.14Å; Y158-V396 HydrophobicContact CG-CG2 4.36Å; L187-V396 HydrophobicContact CD1-CG2 4.38Å; L187-V396 HydrophobicContact CD2-CB 3.85Å; L187-V396 HydrophobicContact CD2-CG1 3.78Å; L187-V396 HydrophobicContact CD2-CG2 4.05Å; R391-V396 HydrophobicContact CB-CG2 4.15Å; L392-V396 WeakPolarHBondContact O-CG2 3.5Å; L392-V396 PolarHBondContact O-N 3.1Å; K393-V396 PolarHBondContact O-N 3.33Å
397	E	63	Low	75.5	Confident	19 Å²	19	62.7 Å²	62.7	9%	0.089	32%	0.324	C	S	.	.			trans	-132.8	93.7	-169.2	-165.6	174.4	-145.5	0	0	113	R156 K393 A399 I610	R156-E397 IonicContact CZ-OE1 2.68Å; R156-E397 VanDerWaalsContact NH1-CD 3.32Å; R156-E397 IonicContact NH1-OE1 2.66Å; R156-E397 PolarHBondContact NH1-OE1 3.49Å; R156-E397 IonicContact NH2-OE1 3.7Å; R156-E397 PolarHBondContact NH2-OE1 3.41Å; K393-E397 PolarHBondContact O-N 3.47Å; E397-A399 VanDerWaalsContact C-N 3.31Å; E397-I610 WeakPolarHBondContact OE1-CG1 3.49Å; E397-I610 WeakPolarHBondContact OE2-CD1 3.35Å; E397-I610 WeakPolarHBondContact OE2-CG1 3.37Å
398	K	66.5	Low	76.1	Confident	199 Å²	199	62.7 Å²	62.7	87%	0.865	32%	0.324	S	S	*	.	S	Bend	trans	-80	-10.7	174.7	-59.9	-179.4	-177.7	178.4	0	113.6
399	A	68.7	Low	76.5	Confident	86 Å²	86	62.6 Å²	62.6	71%	0.711	32%	0.321	S	S	*	.			trans	-87.8	-15.2	-170.9	0	0	0	0	0	114.8	E397 P401	E397-A399 VanDerWaalsContact C-N 3.31Å; A399-P401 WeakPolarHBondContact O-CD 3.39Å
400	L	71.1	Confident	76.6	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.126	32%	0.317	C	S	.	.	S	Bend	trans	-78.9	122.4	179.9	-173.3	71.9	0	0	0	110	H608	L400-H608 WeakPolarHBondContact CD2-CE1 3.37Å
401	P	76.4	Confident	76.5	Confident	37 Å²	37	57.8 Å²	57.8	24%	0.24	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58	139.2	176.1	-23.5	33.8	0	0	0	111	A399 H608	A399-P401 WeakPolarHBondContact O-CD 3.39Å; P401-H608 PolarHBondContact O-NE2 3.25Å
402	P	79.5	Confident	75.8	Confident	101 Å²	101	56.9 Å²	56.9	66%	0.656	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-64.1	140.1	178.1	27.2	-34.1	0	0	0	110.7	T615	P402-T615 WeakPolarHBondContact O-CG2 3.39Å
403	K	85.9	Confident	75.5	Confident	66 Å²	66	58.4 Å²	58.4	29%	0.287	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-72.4	144.4	171.5	62.3	-168.8	178.3	-150.1	0	110.3	D605 H608 V616	K403-D605 IonicContact NZ-OD1 2.77Å; K403-D605 PolarHBondContact NZ-OD1 3.46Å; K403-H608 HydrophobicContact CD-CB 4.22Å; K403-H608 PolarHBondContact N-NE2 3.46Å; K403-V616 WeakPolarHBondContact CA-O 3.2Å; K403-V616 HydrophobicContact CB-CB 4.32Å
404	K	86.6	Confident	75	Confident	126 Å²	126	58.5 Å²	58.5	55%	0.548	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.5	172.9	-68.5	-169.4	173.1	-164.8	0	109.1	T615 V616 V618	K404-T615 HydrophobicContact CG-CG2 4.42Å; K404-V616 PolarHBondContact N-O 2.81Å; K404-V618 PolarHBondContact O-N 2.74Å
405	E	89.3	Confident	74.8	Confident	68 Å²	68	55.5 Å²	55.5	32%	0.318	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.1	173.7	-176.2	174.1	-173	0	0	109.9	M604 V618 R620	E405-M604 WeakPolarHBondContact OE1-CE 3.5Å; E405-V618 WeakPolarHBondContact CA-O 3.41Å; E405-V618 HydrophobicContact CB-CB 4.34Å; E405-V618 HydrophobicContact CG-CB 4.39Å; E405-V618 HydrophobicContact CG-CG1 4.4Å; E405-R620 IonicContact OE1-CZ 2.64Å; E405-R620 IonicContact OE1-NE 2.75Å; E405-R620 PolarHBondContact OE1-NE 3.48Å; E405-R620 IonicContact OE1-NH2 3.8Å; E405-R620 PolarHBondContact OE1-NH2 3.11Å
406	L	89.3	Confident	74.7	Confident	28 Å²	28	58 Å²	58	15%	0.147	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.1	178	-70.5	169	0	0	0	109	V618 F619 R620 E695	L406-V618 PolarHBondContact N-O 2.9Å; L406-F619 HydrophobicContact CB-CD1 4.15Å; L406-F619 HydrophobicContact CD1-CD1 4.2Å; L406-F619 HydrophobicContact CD1-CE1 3.73Å; L406-F619 WeakPolarHBondContact O-CA 3.4Å; L406-R620 PolarHBondContact O-N 2.75Å; L406-E695 HydrophobicContact CD2-CB 3.84Å; L406-E695 HydrophobicContact CD2-CG 3.83Å
407	K	90.4	Very high	75	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	107.7	175.8	-64.8	175.7	163	-164.6	0	109.4	Y409 I622 V632 E636 S694 T698 L701	K407-Y409 HydrophobicContact CB-CE2 3.94Å; K407-Y409 WeakPolarHBondContact O-CD2 3.45Å; K407-I622 HydrophobicContact CB-CD1 3.91Å; K407-I622 HydrophobicContact CD-CD1 4.21Å; K407-I622 HydrophobicContact CG-CD1 4.16Å; K407-V632 HydrophobicContact CD-CG1 4.45Å; K407-V632 VanDerWaalsContact NZ-CG1 3.34Å; K407-E636 WeakPolarHBondContact CE-OE1 3.5Å; K407-E636 IonicContact NZ-OE1 2.67Å; K407-E636 PolarHBondContact NZ-OE1 3.05Å; K407-E636 IonicContact NZ-OE2 3.98Å; K407-E636 PolarHBondContact NZ-OE2 2.82Å; K407-S694 VanDerWaalsContact O-CB 3.3Å; K407-S694 WeakPolarHBondContact O-CB 3.41Å; K407-T698 WeakPolarHBondContact CB-OG1 3.35Å; K407-T698 HydrophobicContact CD-CG2 4.36Å; K407-T698 HydrophobicContact CG-CG2 4.31Å; K407-T698 PolarHBondContact N-OG1 3.24Å; K407-T698 VanDerWaalsContact N-OG1 3.16Å; K407-L701 HydrophobicContact CD-CD2 4.28Å
408	I	89.2	Confident	75.8	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.2	179.8	-53.9	178	0	0	0	108.8	I410 L481 F619 R620 F621 I622 I690 L691	I408-I410 HydrophobicContact CG2-CG1 4.11Å; I408-L481 HydrophobicContact CB-CD2 4.14Å; I408-L481 HydrophobicContact CD1-CD2 4.1Å; I408-L481 HydrophobicContact CG2-CD1 4.33Å; I408-L481 HydrophobicContact CG2-CD2 3.51Å; I408-F619 HydrophobicContact CD1-CB 4.09Å; I408-F619 HydrophobicContact CD1-CD1 3.64Å; I408-F619 HydrophobicContact CD1-CE1 4.44Å; I408-F619 HydrophobicContact CD1-CG 4.18Å; I408-F619 HydrophobicContact CG1-CD1 4.36Å; I408-R620 PolarHBondContact N-O 2.94Å; I408-F621 HydrophobicContact CB-CD1 4.32Å; I408-F621 HydrophobicContact CD1-CD1 4.33Å; I408-F621 HydrophobicContact CD1-CE1 3.98Å; I408-I622 PolarHBondContact O-N 3.45Å; I408-I690 HydrophobicContact CG2-CG2 3.8Å; I408-L691 HydrophobicContact CD1-CD2 3.71Å; I408-L691 HydrophobicContact CG1-CD2 4.32Å
409	Y	85.4	Confident	76.3	Confident	30 Å²	30	51.6 Å²	51.6	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.7	176.2	-68.2	-88.6	0	0	0	109.8	K407 I622 E624 E629 K697	K407-Y409 HydrophobicContact CB-CE2 3.94Å; K407-Y409 WeakPolarHBondContact O-CD2 3.45Å; Y409-I622 CarbonylContact C-O 3.43Å; Y409-I622 WeakPolarHBondContact CA-O 3.34Å; Y409-I622 HydrophobicContact CD1-CB 4.26Å; Y409-I622 HydrophobicContact CD1-CG2 4.2Å; Y409-I622 HydrophobicContact CE1-CB 4.49Å; Y409-I622 HydrophobicContact CE1-CD1 4.14Å; Y409-I622 HydrophobicContact CE1-CG2 4.22Å; Y409-E624 VanDerWaalsContact CB-OE1 3.23Å; Y409-E624 WeakPolarHBondContact CB-OE1 3.36Å; Y409-E624 HydrophobicContact CD1-CG 4.09Å; Y409-E624 HydrophobicContact CG-CG 4.31Å; Y409-E629 HydrophobicContact CE1-CG 4.5Å; Y409-K697 HydrophobicContact CD2-CB 4.15Å; Y409-K697 HydrophobicContact CD2-CD 3.77Å; Y409-K697 HydrophobicContact CE2-CB 3.89Å; Y409-K697 HydrophobicContact CE2-CD 4.13Å; Y409-K697 HydrophobicContact CG-CD 4.23Å
410	I	82.9	Confident	76.9	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.072	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.1	-169.8	-56.1	163.1	0	0	0	108.6	I408 A412 K478 L481 F621 I622 T623 E624	I408-I410 HydrophobicContact CG2-CG1 4.11Å; I410-A412 PolarHBondContact O-N 2.86Å; I410-K478 HydrophobicContact CD1-CB 4.4Å; I410-K478 HydrophobicContact CD1-CG 3.78Å; I410-L481 HydrophobicContact CD1-CB 4.48Å; I410-L481 HydrophobicContact CD1-CD2 3.5Å; I410-L481 HydrophobicContact CG1-CD2 3.83Å; I410-F621 HydrophobicContact CD1-CB 3.74Å; I410-F621 HydrophobicContact CD1-CD1 4.35Å; I410-F621 HydrophobicContact CD1-CD2 4.17Å; I410-F621 HydrophobicContact CD1-CG 3.84Å; I410-I622 PolarHBondContact N-O 2.95Å; I410-T623 CarbonylContact O-C 3.59Å; I410-T623 WeakPolarHBondContact O-CA 3.36Å; I410-E624 PolarHBondContact O-N 3.26Å
411	A	72.6	Confident	77.5	Confident	43 Å²	43	53.3 Å²	53.3	36%	0.355	25%	0.253	S	S	.	.			trans	-64	131	174	0	0	0	0	0	111	R413	A411-R413 PolarHBondContact O-N 3.42Å
412	A	61.8	Low	77.8	Confident	10 Å²	10	51.6 Å²	51.6	8%	0.083	24%	0.242	C	C	.	.			trans	-66.9	124.6	178.7	0	0	0	0	0	111.3	I410 Y415 T623 T626	I410-A412 PolarHBondContact O-N 2.86Å; A412-Y415 HydrophobicContact CB-CE1 4.42Å; A412-Y415 HydrophobicContact CB-CE2 4.49Å; A412-Y415 WeakPolarHBondContact O-CE2 3.29Å; A412-T623 HydrophobicContact CB-CG2 3.47Å; A412-T623 VanDerWaalsContact CB-CG2 3.47Å; A412-T626 HydrophobicContact CB-CG2 4.37Å
413	R	61.8	Low	77.8	Confident	97 Å²	97	51.4 Å²	51.4	37%	0.366	23%	0.234	S	C	.	.	S	Bend	trans	-95.2	-9.4	173.4	-88.8	-159.3	172.7	-178.5	2.9	117.1	A411 I682	A411-R413 PolarHBondContact O-N 3.42Å; R413-I682 VanDerWaalsContact CD-CD1 3.45Å; R413-I682 HydrophobicContact CG-CD1 3.92Å; R413-I682 HydrophobicContact CG-CG1 4.02Å; R413-I682 VanDerWaalsContact CZ-CD1 3.5Å; R413-I682 VanDerWaalsContact NH2-CB 3.25Å; R413-I682 VanDerWaalsContact NH2-N 3.16Å
414	P	54	Low	77.7	Confident	27 Å²	27	56.5 Å²	56.5	18%	0.175	26%	0.256	C	S	.	.			trans	-118.6	62.6	173.8	38.9	-27.1	0	0	0	113.8	R416 R417 Y418 P454	P414-R416 PolarHBondContact O-N 2.96Å; P414-R416 VanDerWaalsContact O-N 3.16Å; P414-R417 PolarHBondContact O-N 2.65Å; P414-Y418 PolarHBondContact O-N 3.49Å; P414-P454 HydrophobicContact CB-CG 4.15Å; P414-P454 HydrophobicContact CG-CG 4.23Å
415	Y	61.4	Low	77.2	Confident	30 Å²	30	52 Å²	52	12%	0.118	24%	0.238	C	C	.	.	H	α-helix	trans	-52.5	-35.3	170.6	-70.7	-75.7	0	0	0	111.9	A412 R417 Y418 T419 V674	A412-Y415 HydrophobicContact CB-CE1 4.42Å; A412-Y415 HydrophobicContact CB-CE2 4.49Å; A412-Y415 WeakPolarHBondContact O-CE2 3.29Å; Y415-R417 PolarHBondContact O-N 3.16Å; Y415-Y418 PolarHBondContact O-N 3.27Å; Y415-T419 WeakPolarHBondContact O-CB 3.39Å; Y415-T419 PolarHBondContact O-N 3.04Å; Y415-T419 PolarHBondContact O-OG1 3.39Å; Y415-V674 HydrophobicContact CD1-CB 3.98Å; Y415-V674 HydrophobicContact CD1-CG1 3.81Å; Y415-V674 HydrophobicContact CD1-CG2 4.01Å; Y415-V674 HydrophobicContact CE1-CB 4.29Å; Y415-V674 HydrophobicContact CE1-CG2 3.98Å
416	R	65.8	Low	76.6	Confident	177 Å²	177	49.2 Å²	49.2	67%	0.668	23%	0.225	S	C	*	.	H	α-helix	trans	-58.3	-46	-177.3	-65.6	-173.1	-175.5	-167.2	0.1	113.6	P414 K420 E679	P414-R416 PolarHBondContact O-N 2.96Å; P414-R416 VanDerWaalsContact O-N 3.16Å; R416-K420 WeakPolarHBondContact O-CB 3.44Å; R416-K420 VanDerWaalsContact O-CG 3.28Å; R416-K420 WeakPolarHBondContact O-CG 3.46Å; R416-K420 PolarHBondContact O-N 3.39Å; R416-K420 VanDerWaalsContact O-N 3.07Å; R416-E679 IonicContact CZ-OE1 2.79Å; R416-E679 IonicContact NE-OE1 3.09Å; R416-E679 PolarHBondContact NE-OE1 3.42Å; R416-E679 IonicContact NH2-OE1 3.91Å; R416-E679 PolarHBondContact NH2-OE1 3.2Å; R416-E679 IonicContact NH2-OE2 3.49Å
417	R	72.6	Confident	75.9	Confident	87 Å²	87	50.1 Å²	50.1	33%	0.328	23%	0.23	S	C	.	.	H	α-helix	trans	-78.1	-40.9	-179.4	-88	-70.5	-164	-171.5	4.6	111.4	P414 Y415 T419 K420 V421 V460	P414-R417 PolarHBondContact O-N 2.65Å; Y415-R417 PolarHBondContact O-N 3.16Å; R417-T419 VanDerWaalsContact C-N 3.29Å; R417-T419 PolarHBondContact O-N 2.83Å; R417-K420 PolarHBondContact O-N 3.5Å; R417-K420 VanDerWaalsContact O-N 3.13Å; R417-V421 WeakPolarHBondContact O-CG2 3.31Å; R417-V421 PolarHBondContact O-N 3.1Å; R417-V460 VanDerWaalsContact NE-CG2 3.31Å
418	Y	79.7	Confident	75.1	Confident	8 Å²	8	50.1 Å²	50.1	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-46.6	175.1	-158.1	-84.6	0	0	0	110.9	P414 Y415 V421 L422 L447 C450 T626 V627 V674	P414-Y418 PolarHBondContact O-N 3.49Å; Y415-Y418 PolarHBondContact O-N 3.27Å; Y418-V421 PolarHBondContact O-N 3.1Å; Y418-L422 HydrophobicContact CD1-CD1 3.8Å; Y418-L422 HydrophobicContact CD1-CG 4.27Å; Y418-L422 HydrophobicContact CE1-CD1 3.81Å; Y418-L422 HydrophobicContact CE1-CG 4.32Å; Y418-L422 PolarHBondContact O-N 3.41Å; Y418-L447 HydrophobicContact CD1-CD2 3.97Å; Y418-L447 HydrophobicContact CD2-CD2 4.01Å; Y418-L447 HydrophobicContact CE1-CD2 3.78Å; Y418-L447 HydrophobicContact CE2-CB 3.77Å; Y418-L447 HydrophobicContact CE2-CD2 3.78Å; Y418-L447 HydrophobicContact CE2-CG 4.25Å; Y418-L447 HydrophobicContact CG-CD2 4.1Å; Y418-C450 HydrophobicContact CD2-CB 3.81Å; Y418-T626 HydrophobicContact CE2-CG2 4.09Å; Y418-V627 PolarHBondContact OH-N 3.1Å; Y418-V674 HydrophobicContact CD1-CB 4.29Å; Y418-V674 HydrophobicContact CD1-CG1 3.61Å; Y418-V674 HydrophobicContact CD1-CG2 3.86Å; Y418-V674 HydrophobicContact CE1-CG1 4.43Å; Y418-V674 HydrophobicContact CE1-CG2 3.98Å; Y418-V674 HydrophobicContact CG-CG1 4.33Å
419	T	77.7	Confident	74.3	Confident	22 Å²	22	50.3 Å²	50.3	14%	0.135	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-47	173.6	-57.5	0	0	0	0	111.8	Y415 R417 V421 L422 M423 V674 F675	Y415-T419 WeakPolarHBondContact O-CB 3.39Å; Y415-T419 PolarHBondContact O-N 3.04Å; Y415-T419 PolarHBondContact O-OG1 3.39Å; R417-T419 VanDerWaalsContact C-N 3.29Å; R417-T419 PolarHBondContact O-N 2.83Å; T419-V421 VanDerWaalsContact C-N 3.3Å; T419-V421 PolarHBondContact O-N 3.32Å; T419-L422 PolarHBondContact O-N 3.47Å; T419-M423 HydrophobicContact CG2-CE 3.62Å; T419-M423 HydrophobicContact CG2-CG 4.24Å; T419-M423 HydrophobicContact CG2-SD 3.91Å; T419-M423 WeakPolarHBondContact O-CB 3.35Å; T419-M423 VanDerWaalsContact O-CG 3.27Å; T419-M423 WeakPolarHBondContact O-CG 3.41Å; T419-M423 PolarHBondContact O-N 3.47Å; T419-V674 WeakPolarHBondContact OG1-CG1 3.13Å; T419-F675 HydrophobicContact CG2-CD1 3.74Å; T419-F675 HydrophobicContact CG2-CE1 3.59Å
420	K	81.6	Confident	73.7	Confident	129 Å²	129	49.9 Å²	49.9	56%	0.561	23%	0.231	S	C	*	.	H	α-helix	trans	-59.4	-38.4	177.2	-80.8	177.7	-179.4	-176.1	0	112.9	R416 R417 K424	R416-K420 WeakPolarHBondContact O-CB 3.44Å; R416-K420 VanDerWaalsContact O-CG 3.28Å; R416-K420 WeakPolarHBondContact O-CG 3.46Å; R416-K420 PolarHBondContact O-N 3.39Å; R416-K420 VanDerWaalsContact O-N 3.07Å; R417-K420 PolarHBondContact O-N 3.5Å; R417-K420 VanDerWaalsContact O-N 3.13Å; K420-K424 PolarHBondContact O-N 3.44Å; K420-K424 VanDerWaalsContact O-N 3.11Å
421	V	83.5	Confident	73	Confident	17 Å²	17	50.9 Å²	50.9	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-47.2	176.7	172.5	0	0	0	0	110.2	R417 Y418 T419 M423 K424 Q446 L447 F457	R417-V421 WeakPolarHBondContact O-CG2 3.31Å; R417-V421 PolarHBondContact O-N 3.1Å; Y418-V421 PolarHBondContact O-N 3.1Å; T419-V421 VanDerWaalsContact C-N 3.3Å; T419-V421 PolarHBondContact O-N 3.32Å; V421-M423 VanDerWaalsContact C-N 3.33Å; V421-M423 PolarHBondContact O-N 3.33Å; V421-K424 PolarHBondContact O-N 3.44Å; V421-Q446 HydrophobicContact CG1-CB 3.69Å; V421-Q446 HydrophobicContact CG2-CB 4.23Å; V421-L447 HydrophobicContact CB-CD2 4.02Å; V421-L447 HydrophobicContact CG1-CD2 3.67Å; V421-L447 HydrophobicContact CG1-CG 4.21Å; V421-F457 HydrophobicContact CG2-CZ 4.44Å
422	L	82.7	Confident	72.6	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-40.3	175.9	-70.2	176.3	0	0	0	112.4	Y418 T419 K424 D425 I426 V429 L447 I667 A671 V674 F675	Y418-L422 HydrophobicContact CD1-CD1 3.8Å; Y418-L422 HydrophobicContact CD1-CG 4.27Å; Y418-L422 HydrophobicContact CE1-CD1 3.81Å; Y418-L422 HydrophobicContact CE1-CG 4.32Å; Y418-L422 PolarHBondContact O-N 3.41Å; T419-L422 PolarHBondContact O-N 3.47Å; L422-K424 PolarHBondContact O-N 2.92Å; L422-D425 CarbonylContact O-C 3.6Å; L422-D425 PolarHBondContact O-N 2.95Å; L422-I426 WeakPolarHBondContact O-CA 3.35Å; L422-I426 PolarHBondContact O-N 3.47Å; L422-I426 VanDerWaalsContact O-N 3.15Å; L422-V429 HydrophobicContact CD2-CG2 4.13Å; L422-L447 HydrophobicContact CD2-CD1 3.91Å; L422-L447 HydrophobicContact CD2-CD2 3.99Å; L422-L447 HydrophobicContact CG-CD2 4.01Å; L422-I667 HydrophobicContact CD2-CG2 3.93Å; L422-A671 HydrophobicContact CD1-CB 4.21Å; L422-V674 HydrophobicContact CD1-CG1 4.46Å; L422-F675 HydrophobicContact CB-CE2 4.5Å; L422-F675 HydrophobicContact CB-CZ 3.9Å; L422-F675 HydrophobicContact CD1-CE2 4.15Å; L422-F675 HydrophobicContact CD1-CZ 4.23Å
423	M	80.5	Confident	72.7	Confident	98 Å²	98	53.2 Å²	53.2	48%	0.483	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-32.9	178.6	-75.4	179.5	168.4	0	0	113.3	T419 V421 D425 I426 F675	T419-M423 HydrophobicContact CG2-CE 3.62Å; T419-M423 HydrophobicContact CG2-CG 4.24Å; T419-M423 HydrophobicContact CG2-SD 3.91Å; T419-M423 WeakPolarHBondContact O-CB 3.35Å; T419-M423 VanDerWaalsContact O-CG 3.27Å; T419-M423 WeakPolarHBondContact O-CG 3.41Å; T419-M423 PolarHBondContact O-N 3.47Å; V421-M423 VanDerWaalsContact C-N 3.33Å; V421-M423 PolarHBondContact O-N 3.33Å; M423-D425 VanDerWaalsContact C-N 3.3Å; M423-D425 PolarHBondContact O-N 3.16Å; M423-I426 WeakPolarHBondContact O-CB 3.43Å; M423-I426 WeakPolarHBondContact O-CG2 3.14Å; M423-F675 HydrophobicContact CE-CD1 4.32Å; M423-F675 HydrophobicContact CE-CE1 3.94Å; M423-F675 HydrophobicContact CG-CE1 4Å
424	K	81.9	Confident	73	Confident	172 Å²	172	57 Å²	57	75%	0.748	29%	0.286	S	S	*	.	H	α-helix	trans	-66.8	-33	-179.6	-172.8	-179.1	176.2	-175.1	0	112.5	K420 V421 L422	K420-K424 PolarHBondContact O-N 3.44Å; K420-K424 VanDerWaalsContact O-N 3.11Å; V421-K424 PolarHBondContact O-N 3.44Å; L422-K424 PolarHBondContact O-N 2.92Å
425	D	77.3	Confident	73.8	Confident	31 Å²	31	58.7 Å²	58.7	17%	0.166	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	31.9	-177.6	-69.9	-70.9	0	0	0	112	L422 M423 D427 V428 V429 R439 I443	L422-D425 CarbonylContact O-C 3.6Å; L422-D425 PolarHBondContact O-N 2.95Å; M423-D425 VanDerWaalsContact C-N 3.3Å; M423-D425 PolarHBondContact O-N 3.16Å; D425-D427 PolarHBondContact O-N 2.88Å; D425-V428 WeakPolarHBondContact O-CB 3.09Å; D425-V428 PolarHBondContact O-N 3.47Å; D425-V429 WeakPolarHBondContact O-CG2 3.35Å; D425-V429 PolarHBondContact O-N 3.23Å; D425-V429 VanDerWaalsContact O-N 3.09Å; D425-R439 IonicContact OD1-CZ 2.65Å; D425-R439 VanDerWaalsContact OD1-CZ 3.29Å; D425-R439 IonicContact OD1-NE 2.58Å; D425-R439 PolarHBondContact OD1-NE 3.13Å; D425-R439 IonicContact OD1-NH2 2.97Å; D425-R439 PolarHBondContact OD1-NH2 3.46Å; D425-I443 HydrophobicContact CB-CD1 3.48Å; D425-I443 VanDerWaalsContact CB-CD1 3.48Å; D425-I443 HydrophobicContact CB-CG1 3.8Å
426	I	75.5	Confident	74.6	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-30.6	-175.1	-164.3	165.7	0	0	0	113.6	L422 M423 V428 V429 N430 I746 P748	L422-I426 WeakPolarHBondContact O-CA 3.35Å; L422-I426 PolarHBondContact O-N 3.47Å; L422-I426 VanDerWaalsContact O-N 3.15Å; M423-I426 WeakPolarHBondContact O-CB 3.43Å; M423-I426 WeakPolarHBondContact O-CG2 3.14Å; I426-V428 VanDerWaalsContact C-N 3.28Å; I426-V428 PolarHBondContact O-N 2.9Å; I426-V429 PolarHBondContact O-N 2.89Å; I426-N430 WeakPolarHBondContact O-CB 3.12Å; I426-N430 VanDerWaalsContact O-CG 3.31Å; I426-N430 PolarHBondContact O-N 3.19Å; I426-N430 PolarHBondContact O-ND2 3.36Å; I426-I746 HydrophobicContact CD1-CB 3.56Å; I426-I746 HydrophobicContact CD1-CG2 3.18Å; I426-I746 HydrophobicContact CG1-CB 3.66Å; I426-I746 HydrophobicContact CG1-CG2 3.85Å; I426-P748 HydrophobicContact CG2-CB 3.51Å; I426-P748 HydrophobicContact CG2-CG 3.83Å
427	D	74.6	Confident	75.3	Confident	47 Å²	47	58.4 Å²	58.4	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-38.5	173.5	62.5	-44.4	0	0	0	111.8	D425 G431 A432 G433 R439	D425-D427 PolarHBondContact O-N 2.88Å; D427-G431 PolarHBondContact O-N 3.41Å; D427-A432 PolarHBondContact O-N 3.04Å; D427-G433 PolarHBondContact O-N 3.06Å; D427-R439 IonicContact OD1-CZ 2.96Å; D427-R439 IonicContact OD1-NH1 2.73Å; D427-R439 IonicContact OD1-NH2 3.49Å; D427-R439 PolarHBondContact OD1-NH2 3.43Å; D427-R439 IonicContact OD2-CZ 2.69Å; D427-R439 IonicContact OD2-NH1 3.93Å; D427-R439 PolarHBondContact OD2-NH1 3.44Å; D427-R439 IonicContact OD2-NH2 2.83Å; D427-R439 PolarHBondContact OD2-NH2 2.95Å
428	V	75	Confident	75.9	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-76.4	-42.2	176.3	-176.5	0	0	0	0	110.5	D425 I426 N430 G431 L435 R439 L440 I443 L664	D425-V428 WeakPolarHBondContact O-CB 3.09Å; D425-V428 PolarHBondContact O-N 3.47Å; I426-V428 VanDerWaalsContact C-N 3.28Å; I426-V428 PolarHBondContact O-N 2.9Å; V428-N430 VanDerWaalsContact C-N 3.27Å; V428-N430 PolarHBondContact O-N 3.49Å; V428-G431 PolarHBondContact O-N 3.36Å; V428-L435 HydrophobicContact CG1-CD2 4.47Å; V428-R439 HydrophobicContact CG2-CG 4.46Å; V428-L440 HydrophobicContact CG1-CD2 3.47Å; V428-L440 VanDerWaalsContact CG1-CD2 3.47Å; V428-L440 HydrophobicContact CG1-CG 4.29Å; V428-I443 HydrophobicContact CB-CD1 4.09Å; V428-I443 HydrophobicContact CG1-CD1 4Å; V428-L664 WeakPolarHBondContact O-CD1 3.35Å
429	V	71.9	Confident	76	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.024	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-42.9	178.2	179.4	0	0	0	0	110.4	L422 D425 I426 G431 I667 R668 I746	L422-V429 HydrophobicContact CD2-CG2 4.13Å; D425-V429 WeakPolarHBondContact O-CG2 3.35Å; D425-V429 PolarHBondContact O-N 3.23Å; D425-V429 VanDerWaalsContact O-N 3.09Å; I426-V429 PolarHBondContact O-N 2.89Å; V429-G431 VanDerWaalsContact C-N 3.27Å; V429-G431 PolarHBondContact O-N 2.98Å; V429-I667 HydrophobicContact CG2-CG2 3.97Å; V429-R668 HydrophobicContact CG1-CG 4.38Å; V429-R668 VanDerWaalsContact O-CZ 3.23Å; V429-R668 PolarHBondContact O-NE 3.31Å; V429-R668 PolarHBondContact O-NH2 3.48Å; V429-I746 HydrophobicContact CG1-CD1 4.27Å
430	N	72	Confident	76.3	Confident	21 Å²	21	59.1 Å²	59.1	11%	0.112	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.4	177.2	-63.2	-26.6	0	0	0	114.4	I426 V428 A432 R668 Y744 I746	I426-N430 WeakPolarHBondContact O-CB 3.12Å; I426-N430 VanDerWaalsContact O-CG 3.31Å; I426-N430 PolarHBondContact O-N 3.19Å; I426-N430 PolarHBondContact O-ND2 3.36Å; V428-N430 VanDerWaalsContact C-N 3.27Å; V428-N430 PolarHBondContact O-N 3.49Å; N430-A432 VanDerWaalsContact C-N 3.32Å; N430-R668 PolarHBondContact O-NH2 3.45Å; N430-R668 VanDerWaalsContact O-NH2 3.09Å; N430-Y744 PolarHBondContact OD1-O 2.95Å; N430-I746 WeakPolarHBondContact ND2-CA 3.33Å; N430-I746 PolarHBondContact ND2-N 2.82Å; N430-I746 PolarHBondContact ND2-O 3.41Å; N430-I746 WeakPolarHBondContact OD1-CD1 3.4Å; N430-I746 WeakPolarHBondContact OD1-CG1 3.31Å; N430-I746 PolarHBondContact OD1-N 3.19Å
431	G	69.1	Low	76.5	Confident	36 Å²	36	56.6 Å²	56.6	37%	0.371	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	19.7	-179.1	0	0	0	0	0	114.1	D427 V428 V429	D427-G431 PolarHBondContact O-N 3.41Å; V428-G431 PolarHBondContact O-N 3.36Å; V429-G431 VanDerWaalsContact C-N 3.27Å; V429-G431 PolarHBondContact O-N 2.98Å
432	A	64.5	Low	76.7	Confident	82 Å²	82	60.7 Å²	60.7	68%	0.678	33%	0.325	S	S	*	.			trans	-90.5	-10.9	179	0	0	0	0	0	113.5	D427 N430	D427-A432 PolarHBondContact O-N 3.04Å; N430-A432 VanDerWaalsContact C-N 3.32Å
433	G	63.5	Low	76.9	Confident	20 Å²	20	60.8 Å²	60.8	21%	0.206	33%	0.326	C	S	.	.	S	Bend	trans	-104.3	165.5	179.6	0	0	0	0	0	114.7	D427 L435	D427-G433 PolarHBondContact O-N 3.06Å; G433-L435 PolarHBondContact O-N 3.49Å
434	K	67.7	Low	77.2	Confident	177 Å²	177	56.2 Å²	56.2	77%	0.77	30%	0.303	S	S	*	.			trans	-57.8	113.3	170.4	-77.1	-175.1	179.6	179.8	0	109.7	E436	K434-E436 VanDerWaalsContact C-N 3.32Å; K434-E436 PolarHBondContact O-N 2.89Å
435	L	70.9	Confident	77.6	Confident	62 Å²	62	51.9 Å²	51.9	33%	0.325	29%	0.287	S	S	.	.			trans	-77.2	80	179.6	-75	137.3	0	0	0	110.9	V428 G433 L440 K660 L664	V428-L435 HydrophobicContact CG1-CD2 4.47Å; G433-L435 PolarHBondContact O-N 3.49Å; L435-L440 HydrophobicContact CD2-CD1 4.04Å; L435-L440 HydrophobicContact CD2-CD2 4.32Å; L435-K660 WeakPolarHBondContact O-CE 3.34Å; L435-K660 PolarHBondContact O-NZ 3.07Å; L435-L664 HydrophobicContact CD2-CD1 4.02Å
436	E	79.4	Confident	78.1	Confident	117 Å²	117	53.3 Å²	53.3	55%	0.547	29%	0.292	S	S	.	.			trans	-81.9	132.5	169.7	-68.9	-177.6	-176.1	0	0	110.7	K434 A438 R439 L440	K434-E436 VanDerWaalsContact C-N 3.32Å; K434-E436 PolarHBondContact O-N 2.89Å; E436-A438 VanDerWaalsContact C-N 3.28Å; E436-A438 PolarHBondContact O-N 3.44Å; E436-R439 HydrophobicContact CB-CB 4.36Å; E436-R439 PolarHBondContact O-N 3.3Å; E436-L440 PolarHBondContact O-N 3.34Å
437	K	80.1	Confident	78.8	Confident	83 Å²	83	52.9 Å²	52.9	36%	0.361	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-40.2	-178.3	-171.8	176.1	-174.5	175	0	111.3	L440 L441 S657 M663	K437-L440 PolarHBondContact O-N 3.09Å; K437-L441 HydrophobicContact CG-CD1 4.15Å; K437-L441 VanDerWaalsContact O-CG 3.29Å; K437-L441 WeakPolarHBondContact O-CG 3.37Å; K437-L441 PolarHBondContact O-N 2.87Å; K437-S657 PolarHBondContact NZ-OG 3.2Å; K437-M663 HydrophobicContact CG-CE 3.71Å
438	A	83.9	Confident	79.5	Confident	61 Å²	61	51 Å²	51	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-42.8	179	0	0	0	0	0	112.6	E436 L441 N442	E436-A438 VanDerWaalsContact C-N 3.28Å; E436-A438 PolarHBondContact O-N 3.44Å; A438-L441 PolarHBondContact O-N 2.87Å; A438-N442 PolarHBondContact O-N 3.07Å; A438-N442 PolarHBondContact O-ND2 3.43Å
439	R	82.5	Confident	80.3	Confident	72 Å²	72	53.2 Å²	53.2	27%	0.272	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-44.1	177.6	-169.6	172.7	179.3	-156.6	-5.2	111.7	D425 D427 V428 E436 L441 N442 I443	D425-R439 IonicContact OD1-CZ 2.65Å; D425-R439 VanDerWaalsContact OD1-CZ 3.29Å; D425-R439 IonicContact OD1-NE 2.58Å; D425-R439 PolarHBondContact OD1-NE 3.13Å; D425-R439 IonicContact OD1-NH2 2.97Å; D425-R439 PolarHBondContact OD1-NH2 3.46Å; D427-R439 IonicContact OD1-CZ 2.96Å; D427-R439 IonicContact OD1-NH1 2.73Å; D427-R439 IonicContact OD1-NH2 3.49Å; D427-R439 PolarHBondContact OD1-NH2 3.43Å; D427-R439 IonicContact OD2-CZ 2.69Å; D427-R439 IonicContact OD2-NH1 3.93Å; D427-R439 PolarHBondContact OD2-NH1 3.44Å; D427-R439 IonicContact OD2-NH2 2.83Å; D427-R439 PolarHBondContact OD2-NH2 2.95Å; V428-R439 HydrophobicContact CG2-CG 4.46Å; E436-R439 HydrophobicContact CB-CB 4.36Å; E436-R439 PolarHBondContact O-N 3.3Å; R439-L441 PolarHBondContact O-N 2.89Å; R439-N442 WeakPolarHBondContact O-CB 3.33Å; R439-N442 PolarHBondContact O-N 3Å; R439-I443 HydrophobicContact CG-CD1 4.44Å; R439-I443 WeakPolarHBondContact O-CG1 3.44Å; R439-I443 PolarHBondContact O-N 3.17Å
440	L	84.1	Confident	81.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-45	174.9	-71.4	170.9	0	0	0	112	V428 L435 E436 K437 N442 I443 L444 K660 M663 L664 I667	V428-L440 HydrophobicContact CG1-CD2 3.47Å; V428-L440 VanDerWaalsContact CG1-CD2 3.47Å; V428-L440 HydrophobicContact CG1-CG 4.29Å; L435-L440 HydrophobicContact CD2-CD1 4.04Å; L435-L440 HydrophobicContact CD2-CD2 4.32Å; E436-L440 PolarHBondContact O-N 3.34Å; K437-L440 PolarHBondContact O-N 3.09Å; L440-N442 VanDerWaalsContact C-N 3.29Å; L440-N442 PolarHBondContact O-N 3.23Å; L440-I443 PolarHBondContact O-N 3Å; L440-L444 VanDerWaalsContact O-CB 3.24Å; L440-L444 WeakPolarHBondContact O-CB 3.18Å; L440-L444 PolarHBondContact O-N 3.02Å; L440-K660 HydrophobicContact CD1-CB 4.47Å; L440-M663 HydrophobicContact CB-CB 4.32Å; L440-M663 HydrophobicContact CB-CE 4.22Å; L440-M663 HydrophobicContact CB-SD 3.99Å; L440-M663 HydrophobicContact CD1-CB 4.36Å; L440-M663 HydrophobicContact CD1-CE 4.08Å; L440-L664 HydrophobicContact CD2-CD1 4.3Å; L440-I667 HydrophobicContact CD2-CD1 3.76Å
441	L	85.5	Confident	81.9	Confident	75 Å²	75	52.4 Å²	52.4	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-38.4	176.4	-73.6	170.3	0	0	0	112.1	K437 A438 R439 L444 M445 M663	K437-L441 HydrophobicContact CG-CD1 4.15Å; K437-L441 VanDerWaalsContact O-CG 3.29Å; K437-L441 WeakPolarHBondContact O-CG 3.37Å; K437-L441 PolarHBondContact O-N 2.87Å; A438-L441 PolarHBondContact O-N 2.87Å; R439-L441 PolarHBondContact O-N 2.89Å; L441-L444 HydrophobicContact CD2-CD2 4.34Å; L441-M445 VanDerWaalsContact O-CB 3.27Å; L441-M445 WeakPolarHBondContact O-CB 3.48Å; L441-M445 PolarHBondContact O-N 2.85Å; L441-M663 HydrophobicContact CD2-SD 3.65Å; L441-M663 HydrophobicContact CG-SD 3.85Å
442	N	88	Confident	82.9	Confident	104 Å²	104	50.7 Å²	50.7	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-64.8	-46.9	175.4	-76.6	-22.4	0	0	0	111.8	A438 R439 L440 L444 M445 Q446	A438-N442 PolarHBondContact O-N 3.07Å; A438-N442 PolarHBondContact O-ND2 3.43Å; R439-N442 WeakPolarHBondContact O-CB 3.33Å; R439-N442 PolarHBondContact O-N 3Å; L440-N442 VanDerWaalsContact C-N 3.29Å; L440-N442 PolarHBondContact O-N 3.23Å; N442-L444 PolarHBondContact O-N 2.93Å; N442-M445 WeakPolarHBondContact O-CB 3.29Å; N442-M445 PolarHBondContact O-N 2.97Å; N442-Q446 WeakPolarHBondContact O-CG 3.27Å; N442-Q446 PolarHBondContact O-N 3.43Å
443	I	86.9	Confident	84.2	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-52	176.6	-64.2	163	0	0	0	109.7	D425 V428 R439 L440 M445 Q446 L447 I667	D425-I443 HydrophobicContact CB-CD1 3.48Å; D425-I443 VanDerWaalsContact CB-CD1 3.48Å; D425-I443 HydrophobicContact CB-CG1 3.8Å; V428-I443 HydrophobicContact CB-CD1 4.09Å; V428-I443 HydrophobicContact CG1-CD1 4Å; R439-I443 HydrophobicContact CG-CD1 4.44Å; R439-I443 WeakPolarHBondContact O-CG1 3.44Å; R439-I443 PolarHBondContact O-N 3.17Å; L440-I443 PolarHBondContact O-N 3Å; I443-M445 VanDerWaalsContact C-N 3.27Å; I443-M445 PolarHBondContact O-N 2.84Å; I443-Q446 PolarHBondContact O-N 3.4Å; I443-L447 HydrophobicContact CG2-CD1 4.04Å; I443-L447 HydrophobicContact CG2-CG 4.27Å; I443-L447 WeakPolarHBondContact O-CG 3.42Å; I443-L447 PolarHBondContact O-N 3.12Å; I443-I667 HydrophobicContact CB-CD1 4.19Å; I443-I667 HydrophobicContact CG2-CD1 3.99Å; I443-I667 HydrophobicContact CG2-CG1 4.32Å; I443-I667 HydrophobicContact CG2-CG2 4.15Å
444	L	87.6	Confident	85.4	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-54.6	-42.4	178.2	-161.9	79.4	0	0	0	111.9	L440 L441 N442 L447 R448 W595 V627 M663 M666 I667	L440-L444 VanDerWaalsContact O-CB 3.24Å; L440-L444 WeakPolarHBondContact O-CB 3.18Å; L440-L444 PolarHBondContact O-N 3.02Å; L441-L444 HydrophobicContact CD2-CD2 4.34Å; N442-L444 PolarHBondContact O-N 2.93Å; L444-L447 PolarHBondContact O-N 3.44Å; L444-R448 WeakPolarHBondContact O-CG 3.36Å; L444-R448 PolarHBondContact O-N 3.29Å; L444-W595 HydrophobicContact CD1-CH2 3.83Å; L444-W595 HydrophobicContact CD2-CH2 3.03Å; L444-W595 HydrophobicContact CD2-CZ2 3.22Å; L444-W595 HydrophobicContact CD2-CZ3 3.86Å; L444-W595 HydrophobicContact CG-CH2 3.38Å; L444-W595 HydrophobicContact CG-CZ2 3.63Å; L444-W595 HydrophobicContact CG-CZ3 4.48Å; L444-V627 HydrophobicContact CD1-CG2 3.47Å; L444-V627 VanDerWaalsContact CD1-CG2 3.47Å; L444-V627 HydrophobicContact CG-CG2 4.35Å; L444-M663 HydrophobicContact CD2-CG 4.35Å; L444-M666 HydrophobicContact CD1-CB 4.24Å; L444-I667 HydrophobicContact CD1-CD1 4.47Å; L444-I667 HydrophobicContact CD1-CG1 3.91Å
445	M	88.8	Confident	86.5	Confident	81 Å²	81	38.5 Å²	38.5	40%	0.399	19%	0.194	S	C	.	.	H	α-helix	trans	-64.4	-43.4	175.5	-178.6	60.5	70.1	0	0	112.3	L441 N442 I443 R448 K449 M522	L441-M445 VanDerWaalsContact O-CB 3.27Å; L441-M445 WeakPolarHBondContact O-CB 3.48Å; L441-M445 PolarHBondContact O-N 2.85Å; N442-M445 WeakPolarHBondContact O-CB 3.29Å; N442-M445 PolarHBondContact O-N 2.97Å; I443-M445 VanDerWaalsContact C-N 3.27Å; I443-M445 PolarHBondContact O-N 2.84Å; M445-R448 PolarHBondContact O-N 3.02Å; M445-K449 WeakPolarHBondContact O-CG 3.48Å; M445-K449 PolarHBondContact O-N 2.73Å; M445-M522 HydrophobicContact SD-CE 3.84Å
446	Q	89.5	Confident	87.5	Confident	62 Å²	62	35.8 Å²	35.8	29%	0.29	18%	0.18	S	C	.	.	H	α-helix	trans	-66.5	-40.9	176.9	-60.6	-55.7	-21.9	0	0	111.6	V421 N442 I443 R448 K449 C450 F457	V421-Q446 HydrophobicContact CG1-CB 3.69Å; V421-Q446 HydrophobicContact CG2-CB 4.23Å; N442-Q446 WeakPolarHBondContact O-CG 3.27Å; N442-Q446 PolarHBondContact O-N 3.43Å; I443-Q446 PolarHBondContact O-N 3.4Å; Q446-R448 VanDerWaalsContact C-N 3.31Å; Q446-R448 PolarHBondContact O-N 3.01Å; Q446-K449 WeakPolarHBondContact O-CB 3.48Å; Q446-K449 PolarHBondContact O-N 2.86Å; Q446-K449 VanDerWaalsContact O-N 3.17Å; Q446-C450 PolarHBondContact O-N 3.41Å; Q446-C450 PolarHBondContact O-SG 3.33Å; Q446-F457 HydrophobicContact CB-CE1 4.38Å; Q446-F457 HydrophobicContact CB-CZ 4.34Å; Q446-F457 WeakPolarHBondContact O-CZ 3.37Å
447	L	89.1	Confident	87.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-40.8	175.2	-64.5	179.6	0	0	0	111.4	Y418 V421 L422 I443 L444 C450 C451 V627 I667	Y418-L447 HydrophobicContact CD1-CD2 3.97Å; Y418-L447 HydrophobicContact CD2-CD2 4.01Å; Y418-L447 HydrophobicContact CE1-CD2 3.78Å; Y418-L447 HydrophobicContact CE2-CB 3.77Å; Y418-L447 HydrophobicContact CE2-CD2 3.78Å; Y418-L447 HydrophobicContact CE2-CG 4.25Å; Y418-L447 HydrophobicContact CG-CD2 4.1Å; V421-L447 HydrophobicContact CB-CD2 4.02Å; V421-L447 HydrophobicContact CG1-CD2 3.67Å; V421-L447 HydrophobicContact CG1-CG 4.21Å; L422-L447 HydrophobicContact CD2-CD1 3.91Å; L422-L447 HydrophobicContact CD2-CD2 3.99Å; L422-L447 HydrophobicContact CG-CD2 4.01Å; I443-L447 HydrophobicContact CG2-CD1 4.04Å; I443-L447 HydrophobicContact CG2-CG 4.27Å; I443-L447 WeakPolarHBondContact O-CG 3.42Å; I443-L447 PolarHBondContact O-N 3.12Å; L444-L447 PolarHBondContact O-N 3.44Å; L447-C450 WeakPolarHBondContact O-CB 3.45Å; L447-C450 PolarHBondContact O-N 3.23Å; L447-C451 PolarHBondContact O-N 2.75Å; L447-C451 VanDerWaalsContact O-N 3.13Å; L447-C451 PolarHBondContact O-SG 3.45Å; L447-C451 VanDerWaalsContact O-SG 3.34Å; L447-V627 HydrophobicContact CB-CG1 3.88Å; L447-I667 HydrophobicContact CD1-CG1 4.32Å; L447-I667 HydrophobicContact CD1-CG2 4.21Å
448	R	90.4	Very high	88.2	Confident	7 Å²	7	33.9 Å²	33.9	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-43.2	172.5	-76.4	-176.8	61.6	152.7	7.4	112.8	L444 M445 Q446 C450 C451 N452 M522 D592 S593 V627 I631	L444-R448 WeakPolarHBondContact O-CG 3.36Å; L444-R448 PolarHBondContact O-N 3.29Å; M445-R448 PolarHBondContact O-N 3.02Å; Q446-R448 VanDerWaalsContact C-N 3.31Å; Q446-R448 PolarHBondContact O-N 3.01Å; R448-C450 VanDerWaalsContact C-N 3.27Å; R448-C450 PolarHBondContact O-N 2.87Å; R448-C451 PolarHBondContact O-N 2.97Å; R448-C451 VanDerWaalsContact O-N 3.15Å; R448-N452 PolarHBondContact O-N 3.31Å; R448-M522 HydrophobicContact CB-CE 3.91Å; R448-D592 IonicContact NH2-OD2 2.75Å; R448-D592 PolarHBondContact NH2-OD2 2.96Å; R448-S593 PolarHBondContact NH1-O 2.82Å; R448-S593 PolarHBondContact NH2-O 2.86Å; R448-V627 HydrophobicContact CG-CG1 4.28Å; R448-I631 HydrophobicContact CG-CD1 4.16Å
449	K	90.9	Very high	88.1	Confident	49 Å²	49	34.3 Å²	34.3	21%	0.213	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-42	174.9	-72.8	178.8	178.6	-170.3	0	111.2	M445 Q446 C451 N452 H453 L456 F457 M522	M445-K449 WeakPolarHBondContact O-CG 3.48Å; M445-K449 PolarHBondContact O-N 2.73Å; Q446-K449 WeakPolarHBondContact O-CB 3.48Å; Q446-K449 PolarHBondContact O-N 2.86Å; Q446-K449 VanDerWaalsContact O-N 3.17Å; K449-C451 VanDerWaalsContact C-N 3.33Å; K449-C451 PolarHBondContact O-N 2.96Å; K449-N452 PolarHBondContact O-N 2.87Å; K449-H453 PolarHBondContact O-N 3.47Å; K449-L456 HydrophobicContact CB-CB 4.2Å; K449-L456 HydrophobicContact CB-CD1 4.18Å; K449-L456 HydrophobicContact CD-CB 4.49Å; K449-L456 HydrophobicContact CG-CB 4.35Å; K449-L456 HydrophobicContact CG-CD1 4.28Å; K449-F457 HydrophobicContact CB-CE2 3.71Å; K449-F457 HydrophobicContact CB-CZ 3.79Å; K449-M522 HydrophobicContact CG-CE 3.68Å; K449-M522 HydrophobicContact CG-SD 3.65Å
450	C	87.9	Confident	88.2	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.02	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-37.3	176.2	-67.8	0	0	0	0	113.1	Y418 Q446 L447 R448 N452 F457	Y418-C450 HydrophobicContact CD2-CB 3.81Å; Q446-C450 PolarHBondContact O-N 3.41Å; Q446-C450 PolarHBondContact O-SG 3.33Å; L447-C450 WeakPolarHBondContact O-CB 3.45Å; L447-C450 PolarHBondContact O-N 3.23Å; R448-C450 VanDerWaalsContact C-N 3.27Å; R448-C450 PolarHBondContact O-N 2.87Å; C450-N452 VanDerWaalsContact C-N 3.35Å; C450-F457 HydrophobicContact CB-CE2 4.44Å; C450-F457 WeakPolarHBondContact SG-CE2 3.39Å; C450-F457 WeakPolarHBondContact SG-CZ 3.33Å
451	C	89.3	Confident	88.3	Confident	6 Å²	6	35.4 Å²	35.4	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-71.6	-28.2	176.1	-60.9	0	0	0	0	113	L447 R448 K449 K478 T626 E628	L447-C451 PolarHBondContact O-N 2.75Å; L447-C451 VanDerWaalsContact O-N 3.13Å; L447-C451 PolarHBondContact O-SG 3.45Å; L447-C451 VanDerWaalsContact O-SG 3.34Å; R448-C451 PolarHBondContact O-N 2.97Å; R448-C451 VanDerWaalsContact O-N 3.15Å; K449-C451 VanDerWaalsContact C-N 3.33Å; K449-C451 PolarHBondContact O-N 2.96Å; C451-K478 WeakPolarHBondContact O-CD 3.48Å; C451-K478 VanDerWaalsContact O-CE 3.3Å; C451-K478 WeakPolarHBondContact O-CE 3.33Å; C451-T626 PolarHBondContact SG-OG1 3Å; C451-E628 VanDerWaalsContact CB-CD 3.49Å; C451-E628 HydrophobicContact CB-CG 3.88Å
452	N	91.2	Very high	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-79.7	-66.6	178.8	-77.4	-8.9	0	0	0	112.6	R448 K449 C450 L456 C476 K478 M525 Y591 D592	R448-N452 PolarHBondContact O-N 3.31Å; K449-N452 PolarHBondContact O-N 2.87Å; C450-N452 VanDerWaalsContact C-N 3.35Å; N452-L456 HydrophobicContact CB-CD1 3.69Å; N452-C476 PolarHBondContact O-SG 3.32Å; N452-K478 PolarHBondContact OD1-NZ 2.91Å; N452-M525 HydrophobicContact CB-SD 4.01Å; N452-Y591 HydrophobicContact CB-CE1 4.06Å; N452-Y591 PolarHBondContact O-OH 3.13Å; N452-Y591 VanDerWaalsContact O-OH 3.06Å; N452-D592 PolarHBondContact ND2-OD2 2.78Å; N452-D592 WeakPolarHBondContact OD1-CB 3.41Å
453	H	90.9	Very high	87.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.			trans	-159.3	136.5	176.7	-161.3	-92.5	0	0	0	111.4	K449 Y455 L456 L472 C476 M525 I528	K449-H453 PolarHBondContact O-N 3.47Å; H453-Y455 AromaticContact CE1-CD1 3.83Å; H453-Y455 AromaticContact CE1-CD2 3.35Å; H453-Y455 WeakPolarHBondContact CE1-CD2 3.35Å; H453-Y455 AromaticContact CE1-CE2 3.76Å; H453-Y455 AromaticContact CE1-CG 3.36Å; H453-Y455 WeakPolarHBondContact ND1-CB 3.3Å; H453-Y455 AromaticContact ND1-CD2 3.81Å; H453-Y455 AromaticContact ND1-CG 3.46Å; H453-Y455 PolarHBondContact ND1-N 2.87Å; H453-Y455 PolarHBondContact O-N 3.39Å; H453-L456 HydrophobicContact CB-CD1 4.44Å; H453-L456 HydrophobicContact CB-CG 4.28Å; H453-L456 WeakPolarHBondContact O-CB 3.49Å; H453-L456 WeakPolarHBondContact O-CG 3.44Å; H453-L456 PolarHBondContact O-N 3.44Å; H453-L472 PolarHBondContact NE2-O 3.35Å; H453-L472 VanDerWaalsContact NE2-O 3.1Å; H453-C476 WeakPolarHBondContact CD2-CB 3.37Å; H453-M525 HydrophobicContact CB-CE 4.18Å; H453-M525 HydrophobicContact CB-SD 3.74Å; H453-I528 HydrophobicContact CB-CD1 3.92Å
454	P	88.8	Confident	87	Confident	10 Å²	10	37.2 Å²	37.2	7%	0.065	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-58.9	-29.3	177.6	-25.5	34.9	0	0	0	114.7	P414 L456 F457 V460 N475	P414-P454 HydrophobicContact CB-CG 4.15Å; P414-P454 HydrophobicContact CG-CG 4.23Å; P454-L456 PolarHBondContact O-N 2.96Å; P454-F457 WeakPolarHBondContact O-CD2 3.47Å; P454-F457 PolarHBondContact O-N 3.08Å; P454-V460 HydrophobicContact CB-CG1 3.72Å; P454-V460 WeakPolarHBondContact O-CB 3.4Å; P454-N475 HydrophobicContact CG-CB 4.5Å; P454-N475 WeakPolarHBondContact CG-O 3.42Å
455	Y	90.5	Very high	86.7	Confident	12 Å²	12	42 Å²	42	5%	0.047	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-76.4	-1.3	-178.9	-55.4	-10.7	0	0	0	113.9	H453 F457 V460 E461 P462 H471 L472 N475	H453-Y455 AromaticContact CE1-CD1 3.83Å; H453-Y455 AromaticContact CE1-CD2 3.35Å; H453-Y455 WeakPolarHBondContact CE1-CD2 3.35Å; H453-Y455 AromaticContact CE1-CE2 3.76Å; H453-Y455 AromaticContact CE1-CG 3.36Å; H453-Y455 WeakPolarHBondContact ND1-CB 3.3Å; H453-Y455 AromaticContact ND1-CD2 3.81Å; H453-Y455 AromaticContact ND1-CG 3.46Å; H453-Y455 PolarHBondContact ND1-N 2.87Å; H453-Y455 PolarHBondContact O-N 3.39Å; Y455-F457 PolarHBondContact O-N 2.86Å; Y455-V460 HydrophobicContact CD1-CB 4.4Å; Y455-V460 HydrophobicContact CD1-CG1 3.99Å; Y455-V460 HydrophobicContact CE1-CG1 4.29Å; Y455-E461 HydrophobicContact CD1-CB 3.88Å; Y455-E461 HydrophobicContact CD1-CG 4.28Å; Y455-E461 HydrophobicContact CD2-CB 4.06Å; Y455-E461 HydrophobicContact CD2-CG 3.67Å; Y455-E461 HydrophobicContact CE1-CB 4.13Å; Y455-E461 HydrophobicContact CE1-CG 4.25Å; Y455-E461 HydrophobicContact CE2-CB 4.3Å; Y455-E461 HydrophobicContact CE2-CG 3.63Å; Y455-E461 HydrophobicContact CG-CB 3.88Å; Y455-E461 HydrophobicContact CG-CG 4.03Å; Y455-P462 WeakPolarHBondContact OH-CD 3.44Å; Y455-H471 AromaticContact CE2-CE1 3.92Å; Y455-H471 AromaticContact CE2-ND1 3.58Å; Y455-H471 AromaticContact CZ-ND1 3.57Å; Y455-H471 PolarHBondContact OH-ND1 2.73Å; Y455-L472 HydrophobicContact CD2-CD1 3.72Å; Y455-L472 HydrophobicContact CE2-CD1 3.72Å; Y455-N475 PolarHBondContact OH-ND2 3.45Å
456	L	91.4	Very high	86.5	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-68.6	-8.7	165.7	-65.2	173.9	0	0	0	112.8	K449 N452 H453 P454 M522 R524 M525 I528	K449-L456 HydrophobicContact CB-CB 4.2Å; K449-L456 HydrophobicContact CB-CD1 4.18Å; K449-L456 HydrophobicContact CD-CB 4.49Å; K449-L456 HydrophobicContact CG-CB 4.35Å; K449-L456 HydrophobicContact CG-CD1 4.28Å; N452-L456 HydrophobicContact CB-CD1 3.69Å; H453-L456 HydrophobicContact CB-CD1 4.44Å; H453-L456 HydrophobicContact CB-CG 4.28Å; H453-L456 WeakPolarHBondContact O-CB 3.49Å; H453-L456 WeakPolarHBondContact O-CG 3.44Å; H453-L456 PolarHBondContact O-N 3.44Å; P454-L456 PolarHBondContact O-N 2.96Å; L456-M522 HydrophobicContact CD1-SD 3.84Å; L456-R524 HydrophobicContact CD2-CB 3.63Å; L456-M525 HydrophobicContact CD1-SD 4.35Å; L456-M525 HydrophobicContact CD2-CB 4.45Å; L456-I528 HydrophobicContact CD2-CD1 3.75Å; L456-I528 HydrophobicContact CG-CD1 4Å
457	F	88.7	Confident	86.4	Confident	31 Å²	31	44.2 Å²	44.2	14%	0.136	27%	0.267	C	S	.	.	S	Bend	trans	-105.5	127.5	172.2	-63.3	-91.8	0	0	0	110.1	V421 Q446 K449 C450 P454 Y455 G459 V460	V421-F457 HydrophobicContact CG2-CZ 4.44Å; Q446-F457 HydrophobicContact CB-CE1 4.38Å; Q446-F457 HydrophobicContact CB-CZ 4.34Å; Q446-F457 WeakPolarHBondContact O-CZ 3.37Å; K449-F457 HydrophobicContact CB-CE2 3.71Å; K449-F457 HydrophobicContact CB-CZ 3.79Å; C450-F457 HydrophobicContact CB-CE2 4.44Å; C450-F457 WeakPolarHBondContact SG-CE2 3.39Å; C450-F457 WeakPolarHBondContact SG-CZ 3.33Å; P454-F457 WeakPolarHBondContact O-CD2 3.47Å; P454-F457 PolarHBondContact O-N 3.08Å; Y455-F457 PolarHBondContact O-N 2.86Å; F457-G459 PolarHBondContact O-N 2.98Å; F457-V460 HydrophobicContact CB-CG2 3.68Å; F457-V460 PolarHBondContact O-N 2.58Å
458	D	85.3	Confident	86.2	Confident	129 Å²	129	47.1 Å²	47.1	69%	0.69	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	137	179.7	-47.1	-33.1	0	0	0	110.3	R524	D458-R524 IonicContact OD1-CZ 2.99Å; D458-R524 IonicContact OD1-NH1 2.79Å; D458-R524 PolarHBondContact OD1-NH1 2.75Å; D458-R524 VanDerWaalsContact OD1-NH1 3.12Å; D458-R524 IonicContact OD1-NH2 3.83Å; D458-R524 PolarHBondContact OD1-NH2 3.04Å
459	G	83.2	Confident	86	Confident	70 Å²	70	50.6 Å²	50.6	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	13.5	-178.5	0	0	0	0	0	115.9	F457	F457-G459 PolarHBondContact O-N 2.98Å
460	V	84.3	Confident	85.8	Confident	38 Å²	38	52.1 Å²	52.1	23%	0.23	31%	0.311	C	S	.	.			trans	-90.5	-33.6	170.3	177.4	0	0	0	0	112.6	R417 P454 Y455 F457	R417-V460 VanDerWaalsContact NE-CG2 3.31Å; P454-V460 HydrophobicContact CB-CG1 3.72Å; P454-V460 WeakPolarHBondContact O-CB 3.4Å; Y455-V460 HydrophobicContact CD1-CB 4.4Å; Y455-V460 HydrophobicContact CD1-CG1 3.99Å; Y455-V460 HydrophobicContact CE1-CG1 4.29Å; F457-V460 HydrophobicContact CB-CG2 3.68Å; F457-V460 PolarHBondContact O-N 2.58Å
461	E	85.1	Confident	85.9	Confident	57 Å²	57	53.6 Å²	53.6	27%	0.266	32%	0.318	S	S	.	.	S	Bend	trans	-66.4	133.2	-176.7	-170.9	170.4	179.3	0	0	111.5	Y455 G463 Y466	Y455-E461 HydrophobicContact CD1-CB 3.88Å; Y455-E461 HydrophobicContact CD1-CG 4.28Å; Y455-E461 HydrophobicContact CD2-CB 4.06Å; Y455-E461 HydrophobicContact CD2-CG 3.67Å; Y455-E461 HydrophobicContact CE1-CB 4.13Å; Y455-E461 HydrophobicContact CE1-CG 4.25Å; Y455-E461 HydrophobicContact CE2-CB 4.3Å; Y455-E461 HydrophobicContact CE2-CG 3.63Å; Y455-E461 HydrophobicContact CG-CB 3.88Å; Y455-E461 HydrophobicContact CG-CG 4.03Å; E461-G463 PolarHBondContact O-N 2.75Å; E461-Y466 HydrophobicContact CB-CD1 4.06Å; E461-Y466 HydrophobicContact CB-CE1 4.13Å; E461-Y466 HydrophobicContact CG-CD1 3.73Å; E461-Y466 HydrophobicContact CG-CE1 4.32Å
462	P	81.2	Confident	85.8	Confident	66 Å²	66	53.6 Å²	53.6	43%	0.429	32%	0.318	S	S	.	.			trans	-59.6	120.6	171.8	-20.2	31.9	0	0	0	110.5	Y455	Y455-P462 WeakPolarHBondContact OH-CD 3.44Å
463	G	76.8	Confident	85.7	Confident	44 Å²	44	53.7 Å²	53.7	45%	0.454	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	150.6	-178	179.4	0	0	0	0	0	112.4	E461	E461-G463 PolarHBondContact O-N 2.75Å
464	P	76	Confident	85.5	Confident	110 Å²	110	57 Å²	57	71%	0.714	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	cis	-71	154	0.4	-18.3	32.4	0	0	0	114.7	Y466	P464-Y466 HydrophobicContact CG-CE2 4.43Å
465	P	82.2	Confident	85.3	Confident	103 Å²	103	59.7 Å²	59.7	67%	0.669	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	cis	-73.9	140.1	-3.6	31.4	-33.6	0	0	0	111.1	T467	P465-T467 HydrophobicContact CG-CG2 4.38Å
466	Y	84.5	Confident	85.1	Confident	138 Å²	138	59.3 Å²	59.3	54%	0.541	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	123.9	170.4	-56.5	-60.9	0	0	0	108.1	E461 P464	E461-Y466 HydrophobicContact CB-CD1 4.06Å; E461-Y466 HydrophobicContact CB-CE1 4.13Å; E461-Y466 HydrophobicContact CG-CD1 3.73Å; E461-Y466 HydrophobicContact CG-CE1 4.32Å; P464-Y466 HydrophobicContact CG-CE2 4.43Å
467	T	87	Confident	84.8	Confident	51 Å²	51	59.4 Å²	59.4	31%	0.313	35%	0.35	S	S	.	.			trans	-122.2	141.5	-174.9	56.9	0	0	0	0	110.8	P465 D469 H471	P465-T467 HydrophobicContact CG-CG2 4.38Å; T467-D469 VanDerWaalsContact C-N 3.34Å; T467-D469 WeakPolarHBondContact CB-OD2 3.39Å; T467-D469 PolarHBondContact O-N 3.06Å; T467-D469 VanDerWaalsContact O-N 3.12Å; T467-D469 PolarHBondContact OG1-OD2 3.19Å; T467-H471 PolarHBondContact O-CE1 2.83Å; T467-H471 PolarHBondContact O-NE2 3.03Å; T467-H471 PolarHBondContact OG1-NE2 3.1Å
468	T	85.3	Confident	84.9	Confident	61 Å²	61	58 Å²	58	37%	0.374	34%	0.344	S	S	.	.			trans	-85.5	75.2	174.7	56.8	0	0	0	0	110	D531 W535	T468-D531 HydrophobicContact CG2-CB 3.87Å; T468-W535 PolarHBondContact O-NE1 3.08Å
469	D	85.3	Confident	85.2	Confident	79 Å²	79	51.8 Å²	51.8	42%	0.422	31%	0.311	S	S	.	.	S	Bend	trans	-112.1	-176.5	-180	-55.5	-42.2	0	0	0	112.1	T467 H471 L472	T467-D469 VanDerWaalsContact C-N 3.34Å; T467-D469 WeakPolarHBondContact CB-OD2 3.39Å; T467-D469 PolarHBondContact O-N 3.06Å; T467-D469 VanDerWaalsContact O-N 3.12Å; T467-D469 PolarHBondContact OG1-OD2 3.19Å; D469-H471 PolarHBondContact O-N 3.08Å; D469-H471 IonicContact OD2-NE2 2.67Å; D469-L472 VanDerWaalsContact O-CB 3.26Å; D469-L472 WeakPolarHBondContact O-CB 3.23Å; D469-L472 PolarHBondContact O-N 3.46Å
470	Q	87.4	Confident	85.5	Confident	81 Å²	81	49.4 Å²	49.4	38%	0.379	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.2	178.8	-171.2	62.7	38.3	0	0	113.9	L472 V473 D474 W535	Q470-L472 PolarHBondContact O-N 3.09Å; Q470-V473 PolarHBondContact O-N 2.98Å; Q470-D474 WeakPolarHBondContact CG-OD2 3.39Å; Q470-D474 PolarHBondContact NE2-OD1 3.03Å; Q470-D474 PolarHBondContact O-N 3.41Å; Q470-W535 HydrophobicContact CB-CH2 4.29Å
471	H	88.8	Confident	85.7	Confident	35 Å²	35	48 Å²	48	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-26.8	175.2	67.2	68.4	0	0	0	113.2	Y455 T467 D469 V473 N475	Y455-H471 AromaticContact CE2-CE1 3.92Å; Y455-H471 AromaticContact CE2-ND1 3.58Å; Y455-H471 AromaticContact CZ-ND1 3.57Å; Y455-H471 PolarHBondContact OH-ND1 2.73Å; T467-H471 PolarHBondContact O-CE1 2.83Å; T467-H471 PolarHBondContact O-NE2 3.03Å; T467-H471 PolarHBondContact OG1-NE2 3.1Å; D469-H471 PolarHBondContact O-N 3.08Å; D469-H471 IonicContact OD2-NE2 2.67Å; H471-V473 PolarHBondContact O-N 3.41Å; H471-N475 VanDerWaalsContact O-CB 3.24Å; H471-N475 WeakPolarHBondContact O-CB 3.41Å; H471-N475 VanDerWaalsContact O-CG 3.23Å; H471-N475 PolarHBondContact O-N 3.3Å; H471-N475 PolarHBondContact O-ND2 3.1Å
472	L	88.9	Confident	86	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-29.7	175.3	-166.6	66.4	0	0	0	111.6	H453 Y455 D469 Q470 I528 D531	H453-L472 PolarHBondContact NE2-O 3.35Å; H453-L472 VanDerWaalsContact NE2-O 3.1Å; Y455-L472 HydrophobicContact CD2-CD1 3.72Å; Y455-L472 HydrophobicContact CE2-CD1 3.72Å; D469-L472 VanDerWaalsContact O-CB 3.26Å; D469-L472 WeakPolarHBondContact O-CB 3.23Å; D469-L472 PolarHBondContact O-N 3.46Å; Q470-L472 PolarHBondContact O-N 3.09Å; L472-I528 HydrophobicContact CD1-CG2 3.94Å; L472-I528 HydrophobicContact CG-CG2 4.5Å; L472-D531 HydrophobicContact CD2-CB 4.46Å
473	V	88.8	Confident	86.4	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-89.3	-51.1	178.3	176.9	0	0	0	0	110.3	Q470 H471 N475 C476 V480 D483 Y532 W535	Q470-V473 PolarHBondContact O-N 2.98Å; H471-V473 PolarHBondContact O-N 3.41Å; V473-N475 VanDerWaalsContact C-N 3.27Å; V473-N475 PolarHBondContact O-N 3.47Å; V473-C476 PolarHBondContact O-N 3.33Å; V473-V480 HydrophobicContact CG1-CB 4.46Å; V473-V480 HydrophobicContact CG1-CG2 4.07Å; V473-V480 WeakPolarHBondContact O-CG2 3.19Å; V473-D483 HydrophobicContact CG1-CB 3.77Å; V473-D483 HydrophobicContact CG2-CB 4.34Å; V473-Y532 HydrophobicContact CG2-CD2 3.87Å; V473-Y532 HydrophobicContact CG2-CE2 3.67Å; V473-W535 HydrophobicContact CG2-CZ3 3.86Å
474	D	85.6	Confident	86.9	Confident	70 Å²	70	44.7 Å²	44.7	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-29	-169.5	-67	-8.8	0	0	0	113.7	Q470 C476	Q470-D474 WeakPolarHBondContact CG-OD2 3.39Å; Q470-D474 PolarHBondContact NE2-OD1 3.03Å; Q470-D474 PolarHBondContact O-N 3.41Å; D474-C476 VanDerWaalsContact C-N 3.27Å; D474-C476 PolarHBondContact O-N 3.26Å
475	N	85	Confident	87.5	Confident	66 Å²	66	39.5 Å²	39.5	35%	0.353	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-11.2	-178.3	-75	-28.6	0	0	0	113.9	P454 Y455 H471 V473	P454-N475 HydrophobicContact CG-CB 4.5Å; P454-N475 WeakPolarHBondContact CG-O 3.42Å; Y455-N475 PolarHBondContact OH-ND2 3.45Å; H471-N475 VanDerWaalsContact O-CB 3.24Å; H471-N475 WeakPolarHBondContact O-CB 3.41Å; H471-N475 VanDerWaalsContact O-CG 3.23Å; H471-N475 PolarHBondContact O-N 3.3Å; H471-N475 PolarHBondContact O-ND2 3.1Å; V473-N475 VanDerWaalsContact C-N 3.27Å; V473-N475 PolarHBondContact O-N 3.47Å
476	C	87.4	Confident	87.9	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.027	18%	0.175	C	C	.	.			trans	-134.7	122.9	-180	178.8	0	0	0	0	112.5	N452 H453 V473 D474 K478 M479 V480	N452-C476 PolarHBondContact O-SG 3.32Å; H453-C476 WeakPolarHBondContact CD2-CB 3.37Å; V473-C476 PolarHBondContact O-N 3.33Å; D474-C476 VanDerWaalsContact C-N 3.27Å; D474-C476 PolarHBondContact O-N 3.26Å; C476-K478 VanDerWaalsContact C-N 3.25Å; C476-K478 PolarHBondContact O-N 3.02Å; C476-K478 PolarHBondContact SG-N 3.19Å; C476-K478 VanDerWaalsContact SG-N 3.41Å; C476-M479 HydrophobicContact CB-CB 4.04Å; C476-M479 HydrophobicContact CB-CG 3.84Å; C476-M479 PolarHBondContact O-N 2.95Å; C476-V480 PolarHBondContact O-N 3.07Å
477	G	84.2	Confident	88	Confident	6 Å²	6	30.5 Å²	30.5	6%	0.062	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-34.9	177.6	0	0	0	0	0	113.8	V480 L481	G477-V480 PolarHBondContact O-N 2.85Å; G477-L481 PolarHBondContact O-N 3.49Å; G477-L481 VanDerWaalsContact O-N 3.09Å
478	K	91	Very high	87.8	Confident	1 Å²	1	30 Å²	30	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-37.9	174.8	-65.7	-173.8	-177.7	-176.1	0	112	I410 C451 N452 C476 L481 L482 Y591 F621 T623 E628	I410-K478 HydrophobicContact CD1-CB 4.4Å; I410-K478 HydrophobicContact CD1-CG 3.78Å; C451-K478 WeakPolarHBondContact O-CD 3.48Å; C451-K478 VanDerWaalsContact O-CE 3.3Å; C451-K478 WeakPolarHBondContact O-CE 3.33Å; N452-K478 PolarHBondContact OD1-NZ 2.91Å; C476-K478 VanDerWaalsContact C-N 3.25Å; C476-K478 PolarHBondContact O-N 3.02Å; C476-K478 PolarHBondContact SG-N 3.19Å; C476-K478 VanDerWaalsContact SG-N 3.41Å; K478-L481 PolarHBondContact O-N 3.48Å; K478-L482 WeakPolarHBondContact O-CB 3.4Å; K478-L482 PolarHBondContact O-N 3.06Å; K478-Y591 HydrophobicContact CB-CE1 4.28Å; K478-Y591 HydrophobicContact CB-CE2 4Å; K478-Y591 WeakPolarHBondContact CB-OH 3.49Å; K478-Y591 HydrophobicContact CD-CD1 4.05Å; K478-Y591 HydrophobicContact CD-CE1 3.65Å; K478-Y591 PolarHBondContact NZ-O 3.21Å; K478-F621 HydrophobicContact CB-CD2 4.15Å; K478-F621 HydrophobicContact CD-CB 4.24Å; K478-F621 HydrophobicContact CD-CD2 4.5Å; K478-F621 HydrophobicContact CG-CB 4.4Å; K478-F621 HydrophobicContact CG-CD2 4.31Å; K478-T623 WeakPolarHBondContact CE-OG1 3.39Å; K478-E628 VanDerWaalsContact CE-OE2 3.24Å; K478-E628 WeakPolarHBondContact CE-OE2 3.26Å; K478-E628 IonicContact NZ-OE1 3.71Å; K478-E628 PolarHBondContact NZ-OE1 3Å; K478-E628 IonicContact NZ-OE2 3.09Å; K478-E628 PolarHBondContact NZ-OE2 3.11Å
479	M	91.3	Very high	87.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-40	176.9	-66.6	-58.6	-68.8	0	0	111.7	C476 L481 L482 D483 M525 L529 Y532 Y591	C476-M479 HydrophobicContact CB-CB 4.04Å; C476-M479 HydrophobicContact CB-CG 3.84Å; C476-M479 PolarHBondContact O-N 2.95Å; M479-L481 VanDerWaalsContact C-N 3.32Å; M479-L481 PolarHBondContact O-N 3.29Å; M479-L482 HydrophobicContact CE-CD2 4.45Å; M479-L482 PolarHBondContact O-N 3.06Å; M479-L482 HydrophobicContact SD-CD2 4.19Å; M479-D483 WeakPolarHBondContact O-CB 3.47Å; M479-D483 PolarHBondContact O-N 3.47Å; M479-M525 HydrophobicContact SD-CE 4.04Å; M479-L529 HydrophobicContact CE-CD2 4.11Å; M479-L529 HydrophobicContact SD-CD2 3.78Å; M479-Y532 HydrophobicContact CE-CD1 4.07Å; M479-Y532 HydrophobicContact CE-CD2 3.7Å; M479-Y532 HydrophobicContact CE-CE2 4.36Å; M479-Y532 HydrophobicContact CE-CG 3.54Å; M479-Y591 HydrophobicContact SD-CE2 4.09Å; M479-Y591 PolarHBondContact SD-OH 3.39Å; M479-Y591 VanDerWaalsContact SD-OH 3.4Å
480	V	88.9	Confident	87.7	Confident	20 Å²	20	26.9 Å²	26.9	12%	0.121	14%	0.137	C	C	.	.	H	α-helix	trans	-57.5	-45.3	172.4	177.3	0	0	0	0	111.3	V473 C476 G477 D483 K484 I682	V473-V480 HydrophobicContact CG1-CB 4.46Å; V473-V480 HydrophobicContact CG1-CG2 4.07Å; V473-V480 WeakPolarHBondContact O-CG2 3.19Å; C476-V480 PolarHBondContact O-N 3.07Å; G477-V480 PolarHBondContact O-N 2.85Å; V480-D483 PolarHBondContact O-N 3.19Å; V480-K484 PolarHBondContact O-N 3.09Å; V480-I682 HydrophobicContact CB-CD1 4.13Å; V480-I682 HydrophobicContact CG1-CD1 4.07Å; V480-I682 HydrophobicContact CG2-CD1 4.05Å
481	L	88.7	Confident	87	Confident	8 Å²	8	26 Å²	26	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-45.1	176.2	179.1	70.1	0	0	0	111.4	I408 I410 G477 K478 M479 D483 K484 L485 F621 I687 I690	I408-L481 HydrophobicContact CB-CD2 4.14Å; I408-L481 HydrophobicContact CD1-CD2 4.1Å; I408-L481 HydrophobicContact CG2-CD1 4.33Å; I408-L481 HydrophobicContact CG2-CD2 3.51Å; I410-L481 HydrophobicContact CD1-CB 4.48Å; I410-L481 HydrophobicContact CD1-CD2 3.5Å; I410-L481 HydrophobicContact CG1-CD2 3.83Å; G477-L481 PolarHBondContact O-N 3.49Å; G477-L481 VanDerWaalsContact O-N 3.09Å; K478-L481 PolarHBondContact O-N 3.48Å; M479-L481 VanDerWaalsContact C-N 3.32Å; M479-L481 PolarHBondContact O-N 3.29Å; L481-D483 VanDerWaalsContact C-N 3.31Å; L481-D483 PolarHBondContact O-N 2.86Å; L481-K484 PolarHBondContact O-N 3.5Å; L481-L485 VanDerWaalsContact O-CB 3.27Å; L481-L485 WeakPolarHBondContact O-CB 3.19Å; L481-L485 PolarHBondContact O-N 2.99Å; L481-F621 HydrophobicContact CD2-CD1 3.72Å; L481-F621 HydrophobicContact CD2-CD2 4.33Å; L481-F621 HydrophobicContact CD2-CE1 3.42Å; L481-F621 VanDerWaalsContact CD2-CE1 3.42Å; L481-F621 HydrophobicContact CD2-CE2 4.04Å; L481-F621 HydrophobicContact CD2-CG 4.18Å; L481-F621 HydrophobicContact CD2-CZ 3.58Å; L481-F621 HydrophobicContact CG-CE1 4.29Å; L481-F621 HydrophobicContact CG-CZ 4.06Å; L481-I687 HydrophobicContact CD1-CD1 4.38Å; L481-I687 HydrophobicContact CD1-CG1 4.3Å; L481-I690 HydrophobicContact CD1-CG2 4.32Å
482	L	91.5	Very high	86	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-42	179.2	-170.2	68.3	0	0	0	111.3	K478 M479 K484 L485 L486 I518 L529 Y532 I589 F621	K478-L482 WeakPolarHBondContact O-CB 3.4Å; K478-L482 PolarHBondContact O-N 3.06Å; M479-L482 HydrophobicContact CE-CD2 4.45Å; M479-L482 PolarHBondContact O-N 3.06Å; M479-L482 HydrophobicContact SD-CD2 4.19Å; L482-K484 VanDerWaalsContact C-N 3.31Å; L482-K484 PolarHBondContact O-N 3.26Å; L482-L485 PolarHBondContact O-N 2.96Å; L482-L485 VanDerWaalsContact O-N 3.13Å; L482-L486 HydrophobicContact CD1-CD1 3.93Å; L482-L486 HydrophobicContact CD1-CD2 4.12Å; L482-L486 HydrophobicContact CD1-CG 3.82Å; L482-L486 HydrophobicContact CD2-CD1 4.25Å; L482-L486 HydrophobicContact CG-CD1 3.74Å; L482-L486 HydrophobicContact CG-CG 3.99Å; L482-L486 WeakPolarHBondContact O-CG 3.39Å; L482-L486 PolarHBondContact O-N 2.79Å; L482-I518 HydrophobicContact CD1-CD1 4.33Å; L482-L529 HydrophobicContact CD2-CD2 3.51Å; L482-Y532 HydrophobicContact CD2-CE1 4.35Å; L482-I589 HydrophobicContact CD1-CD1 3.77Å; L482-F621 HydrophobicContact CB-CE2 4.33Å; L482-F621 HydrophobicContact CD1-CE2 4.27Å; L482-F621 HydrophobicContact CD1-CZ 4.36Å
483	D	90.8	Very high	84.5	Confident	28 Å²	28	27.9 Å²	27.9	15%	0.15	15%	0.15	C	C	.	.	H	α-helix	trans	-66.7	-29.6	179.1	-162.1	52.6	0	0	0	112.9	V473 M479 V480 L481 P487 Y532 K536	V473-D483 HydrophobicContact CG1-CB 3.77Å; V473-D483 HydrophobicContact CG2-CB 4.34Å; M479-D483 WeakPolarHBondContact O-CB 3.47Å; M479-D483 PolarHBondContact O-N 3.47Å; V480-D483 PolarHBondContact O-N 3.19Å; L481-D483 VanDerWaalsContact C-N 3.31Å; L481-D483 PolarHBondContact O-N 2.86Å; D483-P487 WeakPolarHBondContact O-CD 3.41Å; D483-P487 WeakPolarHBondContact O-CG 3.48Å; D483-Y532 WeakPolarHBondContact CA-OH 3.4Å; D483-Y532 HydrophobicContact CB-CE2 4.34Å; D483-Y532 WeakPolarHBondContact OD1-CE2 3.38Å; D483-Y532 PolarHBondContact OD1-OH 2.7Å; D483-K536 VanDerWaalsContact CG-NZ 3.33Å; D483-K536 WeakPolarHBondContact OD1-CE 3.31Å; D483-K536 IonicContact OD1-NZ 3.96Å; D483-K536 PolarHBondContact OD1-NZ 3.47Å; D483-K536 IonicContact OD2-NZ 2.76Å; D483-K536 PolarHBondContact OD2-NZ 3.46Å; D483-K536 VanDerWaalsContact OD2-NZ 3.09Å
484	K	86.9	Confident	82.7	Confident	68 Å²	68	30.2 Å²	30.2	30%	0.296	17%	0.169	S	C	.	.	H	α-helix	trans	-79.6	-33.8	170	-67.1	-176.7	177.5	-172.7	0	112.3	V480 L481 L482 D684 I687	V480-K484 PolarHBondContact O-N 3.09Å; L481-K484 PolarHBondContact O-N 3.5Å; L482-K484 VanDerWaalsContact C-N 3.31Å; L482-K484 PolarHBondContact O-N 3.26Å; K484-D684 IonicContact NZ-OD1 3.39Å; K484-D684 PolarHBondContact NZ-OD1 2.95Å; K484-I687 HydrophobicContact CB-CB 4.46Å; K484-I687 HydrophobicContact CB-CD1 3.84Å
485	L	88.2	Confident	81	Confident	2 Å²	2	30 Å²	30	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-78.4	-45.9	-173.2	-173.7	61.1	0	0	0	113.2	L481 L482 K488 L489 I589 F619 F621 I687	L481-L485 VanDerWaalsContact O-CB 3.27Å; L481-L485 WeakPolarHBondContact O-CB 3.19Å; L481-L485 PolarHBondContact O-N 2.99Å; L482-L485 PolarHBondContact O-N 2.96Å; L482-L485 VanDerWaalsContact O-N 3.13Å; L485-K488 WeakPolarHBondContact O-CB 3.47Å; L485-K488 PolarHBondContact O-N 3.07Å; L485-L489 HydrophobicContact CD1-CD1 4.28Å; L485-L489 HydrophobicContact CD1-CG 4.22Å; L485-L489 HydrophobicContact CD2-CD1 4.39Å; L485-L489 HydrophobicContact CG-CD1 3.88Å; L485-L489 HydrophobicContact CG-CG 4.24Å; L485-L489 WeakPolarHBondContact O-CG 2.99Å; L485-L489 PolarHBondContact O-N 3.16Å; L485-I589 HydrophobicContact CD2-CD1 3.96Å; L485-F619 HydrophobicContact CD1-CE2 4.5Å; L485-F619 HydrophobicContact CD1-CZ 4.46Å; L485-F619 HydrophobicContact CD2-CD2 4.08Å; L485-F619 HydrophobicContact CD2-CE2 4.39Å; L485-F619 HydrophobicContact CD2-CG 4.31Å; L485-F621 HydrophobicContact CD2-CE1 4.27Å; L485-F621 HydrophobicContact CD2-CZ 4.11Å; L485-I687 HydrophobicContact CB-CD1 3.67Å; L485-I687 HydrophobicContact CD1-CD1 3.8Å; L485-I687 HydrophobicContact CG-CD1 4.34Å
486	L	90.4	Very high	79	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-45.5	-174.6	-69.3	179.6	0	0	0	113.4	L482 K488 L489 Q490 V516 Y532 Y538 F567 L568 I589	L482-L486 HydrophobicContact CD1-CD1 3.93Å; L482-L486 HydrophobicContact CD1-CD2 4.12Å; L482-L486 HydrophobicContact CD1-CG 3.82Å; L482-L486 HydrophobicContact CD2-CD1 4.25Å; L482-L486 HydrophobicContact CG-CD1 3.74Å; L482-L486 HydrophobicContact CG-CG 3.99Å; L482-L486 WeakPolarHBondContact O-CG 3.39Å; L482-L486 PolarHBondContact O-N 2.79Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 3.29Å; L486-L489 PolarHBondContact O-N 2.82Å; L486-L489 VanDerWaalsContact O-N 3.16Å; L486-Q490 WeakPolarHBondContact O-CB 3.21Å; L486-Q490 PolarHBondContact O-N 2.64Å; L486-V516 HydrophobicContact CD2-CG1 4.22Å; L486-V516 HydrophobicContact CD2-CG2 4.33Å; L486-Y532 HydrophobicContact CD1-CE1 3.87Å; L486-Y538 HydrophobicContact CB-CE2 4.13Å; L486-Y538 HydrophobicContact CD1-CD2 4.34Å; L486-Y538 HydrophobicContact CD1-CE2 4.01Å; L486-F567 HydrophobicContact CB-CE1 4.38Å; L486-F567 HydrophobicContact CD2-CE1 4.21Å; L486-F567 HydrophobicContact CD2-CZ 4.36Å; L486-L568 HydrophobicContact CD1-CD1 4.38Å; L486-L568 HydrophobicContact CD1-CD2 4.42Å; L486-L568 HydrophobicContact CD2-CD2 3.86Å; L486-I589 HydrophobicContact CD2-CD1 4.28Å
487	P	86.6	Confident	77.1	Confident	51 Å²	51	35.6 Å²	35.6	33%	0.331	20%	0.196	S	C	.	.	H	α-helix	trans	-60.4	-36.2	175.1	-23.1	33.1	0	0	0	112.7	D483 Q490 S491 Y538	D483-P487 WeakPolarHBondContact O-CD 3.41Å; D483-P487 WeakPolarHBondContact O-CG 3.48Å; P487-Q490 PolarHBondContact O-N 3.45Å; P487-S491 VanDerWaalsContact O-CB 3.29Å; P487-S491 WeakPolarHBondContact O-CB 3.3Å; P487-S491 PolarHBondContact O-N 3.14Å; P487-S491 PolarHBondContact O-OG 3.01Å; P487-Y538 WeakPolarHBondContact CG-OH 3.36Å
488	K	83.7	Confident	75.5	Confident	40 Å²	40	38.9 Å²	38.9	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-41.3	176.1	-175.1	171.1	178.8	173.1	0	111.8	L485 L486 S491 Q492 I687 D688	L485-K488 WeakPolarHBondContact O-CB 3.47Å; L485-K488 PolarHBondContact O-N 3.07Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 3.29Å; K488-S491 WeakPolarHBondContact CA-OG 3.24Å; K488-S491 PolarHBondContact O-OG 2.74Å; K488-Q492 WeakPolarHBondContact O-CB 3.31Å; K488-Q492 WeakPolarHBondContact O-CG 3.25Å; K488-Q492 PolarHBondContact O-N 2.8Å; K488-I687 HydrophobicContact CD-CG2 3.73Å; K488-D688 IonicContact NZ-OD1 2.8Å; K488-D688 PolarHBondContact NZ-OD1 3.44Å; K488-D688 IonicContact NZ-OD2 3.53Å; K488-D688 PolarHBondContact NZ-OD2 2.71Å
489	L	85.4	Confident	73.6	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-35.1	177.2	-67	177	0	0	0	112.8	L485 L486 V516 F567 V587 F619	L485-L489 HydrophobicContact CD1-CD1 4.28Å; L485-L489 HydrophobicContact CD1-CG 4.22Å; L485-L489 HydrophobicContact CD2-CD1 4.39Å; L485-L489 HydrophobicContact CG-CD1 3.88Å; L485-L489 HydrophobicContact CG-CG 4.24Å; L485-L489 WeakPolarHBondContact O-CG 2.99Å; L485-L489 PolarHBondContact O-N 3.16Å; L486-L489 PolarHBondContact O-N 2.82Å; L486-L489 VanDerWaalsContact O-N 3.16Å; L489-V516 HydrophobicContact CB-CG2 4.38Å; L489-V516 HydrophobicContact CD1-CG2 3.86Å; L489-F567 HydrophobicContact CB-CZ 4.39Å; L489-V587 HydrophobicContact CD1-CB 4.47Å; L489-V587 HydrophobicContact CD1-CG1 3.84Å; L489-V587 HydrophobicContact CD1-CG2 4.38Å; L489-V587 HydrophobicContact CD2-CG2 4.1Å; L489-F619 HydrophobicContact CD2-CE2 4.49Å
490	Q	82.3	Confident	71.8	Confident	73 Å²	73	47.3 Å²	47.3	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-69.1	-47.6	175.1	-165.1	-176.3	33	0	0	111.3	L486 P487 G493 F567	L486-Q490 WeakPolarHBondContact O-CB 3.21Å; L486-Q490 PolarHBondContact O-N 2.64Å; P487-Q490 PolarHBondContact O-N 3.45Å; Q490-G493 PolarHBondContact O-N 2.75Å; Q490-F567 HydrophobicContact CB-CE1 4.39Å; Q490-F567 HydrophobicContact CB-CE2 4.14Å; Q490-F567 HydrophobicContact CB-CZ 3.91Å; Q490-F567 HydrophobicContact CG-CE2 4.47Å; Q490-F567 HydrophobicContact CG-CZ 4.49Å
491	S	73.6	Confident	70	Confident	62 Å²	62	52.9 Å²	52.9	43%	0.434	28%	0.279	S	S	.	.	H	α-helix	trans	-71.4	-31	-178.1	57.4	0	0	0	0	114.3	P487 K488 G493 A494 A495	P487-S491 VanDerWaalsContact O-CB 3.29Å; P487-S491 WeakPolarHBondContact O-CB 3.3Å; P487-S491 PolarHBondContact O-N 3.14Å; P487-S491 PolarHBondContact O-OG 3.01Å; K488-S491 WeakPolarHBondContact CA-OG 3.24Å; K488-S491 PolarHBondContact O-OG 2.74Å; S491-G493 PolarHBondContact O-N 2.94Å; S491-G493 VanDerWaalsContact O-N 3.15Å; S491-A494 WeakPolarHBondContact O-CB 3.46Å; S491-A494 PolarHBondContact O-N 2.8Å; S491-A495 PolarHBondContact O-N 3.34Å
492	Q	67.5	Low	68.4	Low	78 Å²	78	59.8 Å²	59.8	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-55.5	-30.5	172.1	-83.9	176.5	5.9	0	0	112.3	K488	K488-Q492 WeakPolarHBondContact O-CB 3.31Å; K488-Q492 WeakPolarHBondContact O-CG 3.25Å; K488-Q492 PolarHBondContact O-N 2.8Å
493	G	55.8	Low	66.7	Low	3 Å²	3	66.1 Å²	66.1	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-76.1	-37.9	171.9	0	0	0	0	0	114.1	Q490 S491 W496 I497 A512	Q490-G493 PolarHBondContact O-N 2.75Å; S491-G493 PolarHBondContact O-N 2.94Å; S491-G493 VanDerWaalsContact O-N 3.15Å; G493-W496 PolarHBondContact O-N 3.04Å; G493-I497 WeakPolarHBondContact O-CG1 3.34Å; G493-I497 PolarHBondContact O-N 3.25Å; G493-A512 WeakPolarHBondContact CA-O 3.31Å
494	A	51.5	Low	65	Low	51 Å²	51	70 Å²	70	42%	0.421	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-40.1	178.6	0	0	0	0	0	112.6	S491 W496 I497 S498	S491-A494 WeakPolarHBondContact O-CB 3.46Å; S491-A494 PolarHBondContact O-N 2.8Å; A494-W496 VanDerWaalsContact C-N 3.31Å; A494-W496 PolarHBondContact O-N 2.91Å; A494-I497 PolarHBondContact O-N 3.01Å; A494-S498 PolarHBondContact O-N 3.46Å; A494-S498 PolarHBondContact O-OG 3.45Å
495	A	50	Low	63.2	Low	66 Å²	66	76.2 Å²	76.2	55%	0.545	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-33.5	179.4	0	0	0	0	0	113.2	S491 K499	S491-A495 PolarHBondContact O-N 3.34Å; A495-K499 PolarHBondContact O-N 2.95Å
496	W	44.2	Very low	61.1	Low	140 Å²	140	82.4 Å²	82.4	53%	0.53	42%	0.419	S	S	.	.	H	α-helix	trans	-70.2	-38.3	174.6	-176.5	82.4	0	0	0	112	G493 A494 K499 I500 A512	G493-W496 PolarHBondContact O-N 3.04Å; A494-W496 VanDerWaalsContact C-N 3.31Å; A494-W496 PolarHBondContact O-N 2.91Å; W496-K499 PolarHBondContact O-N 3.1Å; W496-I500 HydrophobicContact CD2-CD1 3.66Å; W496-I500 HydrophobicContact CD2-CG1 4.43Å; W496-I500 HydrophobicContact CE3-CD1 3.89Å; W496-I500 HydrophobicContact CG-CD1 4.48Å; W496-I500 HydrophobicContact CH2-CD1 3.41Å; W496-I500 VanDerWaalsContact CH2-CD1 3.41Å; W496-I500 HydrophobicContact CZ2-CD1 3.11Å; W496-I500 HydrophobicContact CZ2-CG1 4.49Å; W496-I500 HydrophobicContact CZ3-CD1 3.77Å; W496-I500 PolarHBondContact O-N 2.94Å; W496-A512 HydrophobicContact CD2-CB 4.47Å; W496-A512 HydrophobicContact CE3-CB 3.26Å; W496-A512 HydrophobicContact CZ3-CB 3.37Å
497	I	45.7	Very low	58.9	Low	47 Å²	47	88 Å²	88	24%	0.241	46%	0.459	C	S	.	.	H	α-helix	trans	-63.4	-45.3	174.8	-59.7	169.5	0	0	0	110.5	G493 A494 K499 I500 F501 A512	G493-I497 WeakPolarHBondContact O-CG1 3.34Å; G493-I497 PolarHBondContact O-N 3.25Å; A494-I497 PolarHBondContact O-N 3.01Å; I497-K499 PolarHBondContact O-N 2.81Å; I497-I500 PolarHBondContact O-N 2.94Å; I497-F501 VanDerWaalsContact O-CB 3.23Å; I497-F501 WeakPolarHBondContact O-CB 3.27Å; I497-F501 PolarHBondContact O-N 3.12Å; I497-A512 HydrophobicContact CD1-CB 3.72Å; I497-A512 HydrophobicContact CG1-CB 3.42Å; I497-A512 VanDerWaalsContact CG1-CB 3.42Å
498	S	50.6	Low	56.8	Low	76 Å²	76	91.7 Å²	91.7	53%	0.531	48%	0.48	S	S	.	.	H	α-helix	trans	-59.5	-36.8	176	-60.1	0	0	0	0	112.1	A494 L502	A494-S498 PolarHBondContact O-N 3.46Å; A494-S498 PolarHBondContact O-OG 3.45Å; S498-L502 PolarHBondContact O-N 3.11Å
499	K	52.8	Low	54.8	Low	146 Å²	146	93 Å²	93	64%	0.635	49%	0.488	S	S	*	.	H	α-helix	trans	-70.9	-37.3	177.6	-164.7	169.3	-175	174.2	0	113.1	A495 W496 I497 L503	A495-K499 PolarHBondContact O-N 2.95Å; W496-K499 PolarHBondContact O-N 3.1Å; I497-K499 PolarHBondContact O-N 2.81Å; K499-L503 WeakPolarHBondContact O-CD1 3.28Å
500	I	52.8	Low	53	Low	31 Å²	31	96 Å²	96	16%	0.159	51%	0.508	C	S	.	.	H	α-helix	trans	-79.9	-36.1	177.8	-69.6	-176.9	0	0	0	112.4	W496 I497 L502 L503 E504 L509	W496-I500 HydrophobicContact CD2-CD1 3.66Å; W496-I500 HydrophobicContact CD2-CG1 4.43Å; W496-I500 HydrophobicContact CE3-CD1 3.89Å; W496-I500 HydrophobicContact CG-CD1 4.48Å; W496-I500 HydrophobicContact CH2-CD1 3.41Å; W496-I500 VanDerWaalsContact CH2-CD1 3.41Å; W496-I500 HydrophobicContact CZ2-CD1 3.11Å; W496-I500 HydrophobicContact CZ2-CG1 4.49Å; W496-I500 HydrophobicContact CZ3-CD1 3.77Å; W496-I500 PolarHBondContact O-N 2.94Å; I497-I500 PolarHBondContact O-N 2.94Å; I500-L502 PolarHBondContact O-N 3.42Å; I500-L503 PolarHBondContact O-N 3.14Å; I500-E504 HydrophobicContact CG2-CB 4.41Å; I500-E504 PolarHBondContact O-N 3.34Å; I500-L509 HydrophobicContact CB-CD1 4.42Å; I500-L509 HydrophobicContact CG2-CD1 3.5Å; I500-L509 VanDerWaalsContact CG2-CD1 3.5Å
501	F	50.5	Low	51.5	Low	137 Å²	137	97.3 Å²	97.3	60%	0.601	51%	0.513	S	S	*	.	H	α-helix	trans	-60.2	-35.4	176.8	-169.3	-97.3	0	0	0	111.7	I497 L503	I497-F501 VanDerWaalsContact O-CB 3.23Å; I497-F501 WeakPolarHBondContact O-CB 3.27Å; I497-F501 PolarHBondContact O-N 3.12Å; F501-L503 VanDerWaalsContact C-N 3.3Å; F501-L503 PolarHBondContact O-N 3.43Å
502	L	54.7	Low	50.6	Low	153 Å²	153	95.1 Å²	95.1	80%	0.801	50%	0.498	S	S	*	.	H	α-helix	trans	-68.4	-22.7	171.8	-84.6	161.8	0	0	0	114	S498 I500	S498-L502 PolarHBondContact O-N 3.11Å; I500-L502 PolarHBondContact O-N 3.42Å
503	L	55.5	Low	50.5	Low	135 Å²	135	91.6 Å²	91.6	71%	0.707	48%	0.483	S	S	*	.	H	α-helix	trans	-101.4	-34.4	-174.3	-77.4	166.3	0	0	0	114.4	K499 I500 F501	K499-L503 WeakPolarHBondContact O-CD1 3.28Å; I500-L503 PolarHBondContact O-N 3.14Å; F501-L503 VanDerWaalsContact C-N 3.3Å; F501-L503 PolarHBondContact O-N 3.43Å
504	E	57.1	Low	51.8	Low	109 Å²	109	91.9 Å²	91.9	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-118.6	-4.1	-165.1	-72.7	-162.9	169.9	0	0	117.7	I500 K506	I500-E504 HydrophobicContact CG2-CB 4.41Å; I500-E504 PolarHBondContact O-N 3.34Å; E504-K506 PolarHBondContact O-N 2.84Å
505	K	47.1	Very low	53.6	Low	199 Å²	199	90.5 Å²	90.5	87%	0.865	47%	0.468	S	S	*	.			trans	43.5	26.2	179.1	-79.8	-166.5	178.7	-178.2	0	115.3
506	K	45.8	Very low	55.6	Low	132 Å²	132	87.4 Å²	87.4	57%	0.574	44%	0.442	S	S	*	.			trans	-90.4	119.5	175.6	-80.3	177	-178.6	165.8	0	109	E504 V508	E504-K506 PolarHBondContact O-N 2.84Å; K506-V508 VanDerWaalsContact C-N 3.26Å; K506-V508 PolarHBondContact O-N 3.33Å
507	S	43	Very low	58	Low	118 Å²	118	80.7 Å²	80.7	83%	0.825	42%	0.417	S	S	*	.	S	Bend	trans	-76.3	2.8	-167.4	35.3	0	0	0	0	115.8
508	V	42.8	Very low	60.4	Low	127 Å²	127	78.6 Å²	78.6	77%	0.77	41%	0.406	S	S	*	.			trans	-149	103.1	176.6	-171.6	0	0	0	0	108.7	K506	K506-V508 VanDerWaalsContact C-N 3.26Å; K506-V508 PolarHBondContact O-N 3.33Å
509	L	42.1	Very low	62.5	Low	67 Å²	67	75 Å²	75	35%	0.351	38%	0.381	S	S	.	.			trans	-116	127.8	169.3	-89.6	160.6	0	0	0	108.3	I500	I500-L509 HydrophobicContact CB-CD1 4.42Å; I500-L509 HydrophobicContact CG2-CD1 3.5Å; I500-L509 VanDerWaalsContact CG2-CD1 3.5Å
510	P	48.3	Very low	64.5	Low	67 Å²	67	68 Å²	68	44%	0.435	35%	0.351	S	S	.	.			trans	-61.4	144.2	178.7	24.8	-32.4	0	0	0	110.3	A512	P510-A512 PolarHBondContact O-N 3.02Å
511	F	50.4	Low	66.4	Low	100 Å²	100	68.5 Å²	68.5	44%	0.439	35%	0.352	S	S	.	.			trans	-42.4	104.1	-178	-175.4	-97.1	0	0	0	111.9	G513	F511-G513 PolarHBondContact O-N 3.13Å; F511-G513 VanDerWaalsContact O-N 3.15Å
512	A	53.6	Low	68.3	Low	16 Å²	16	63.1 Å²	63.1	13%	0.132	33%	0.329	C	S	.	.			trans	-85.1	25.2	-173.9	0	0	0	0	0	114.3	G493 W496 I497 P510	G493-A512 WeakPolarHBondContact CA-O 3.31Å; W496-A512 HydrophobicContact CD2-CB 4.47Å; W496-A512 HydrophobicContact CE3-CB 3.26Å; W496-A512 HydrophobicContact CZ3-CB 3.37Å; I497-A512 HydrophobicContact CD1-CB 3.72Å; I497-A512 HydrophobicContact CG1-CB 3.42Å; I497-A512 VanDerWaalsContact CG1-CB 3.42Å; P510-A512 PolarHBondContact O-N 3.02Å
513	G	66.3	Low	70.2	Confident	4 Å²	4	58.7 Å²	58.7	4%	0.041	31%	0.311	C	S	.	.			trans	-54.3	153.1	167.7	0	0	0	0	0	113.5	F511 K614	F511-G513 PolarHBondContact O-N 3.13Å; F511-G513 VanDerWaalsContact O-N 3.15Å; G513-K614 PolarHBondContact O-NZ 3.06Å
514	S	82.5	Confident	72	Confident	8 Å²	8	57.3 Å²	57.3	6%	0.056	30%	0.296	C	S	.	.			trans	-69.6	144.2	152.8	-53.2	0	0	0	0	107.5	F567 D586 R617	S514-F567 VanDerWaalsContact O-CD2 3.25Å; S514-F567 WeakPolarHBondContact O-CD2 3.5Å; S514-F567 WeakPolarHBondContact O-CE2 3.44Å; S514-D586 WeakPolarHBondContact CA-OD1 3.35Å; S514-D586 WeakPolarHBondContact CB-OD1 3.49Å; S514-D586 WeakPolarHBondContact CB-OD2 3.43Å; S514-D586 PolarHBondContact OG-OD2 2.99Å; S514-R617 PolarHBondContact OG-NH2 3.33Å
515	R	89.2	Confident	73.7	Confident	23 Å²	23	52.1 Å²	52.1	9%	0.087	27%	0.272	C	S	.	.			trans	-108.1	135.8	171.8	-59.3	-176.8	-166.8	-179.4	3.2	108.6	F559 H561 P562 A585 D586 V587	R515-F559 HydrophobicContact CB-CE2 4.41Å; R515-F559 HydrophobicContact CB-CZ 3.78Å; R515-F559 PolarHBondContact NH1-O 2.85Å; R515-H561 PolarHBondContact NH1-O 3.3Å; R515-H561 PolarHBondContact NH2-O 2.95Å; R515-P562 PolarHBondContact NH2-O 2.89Å; R515-A585 HydrophobicContact CB-CB 4.41Å; R515-D586 PolarHBondContact N-OD1 3.49Å; R515-D586 PolarHBondContact O-N 3.1Å; R515-V587 PolarHBondContact O-N 3.13Å
516	V	93.2	Very high	76	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.5	-166.8	-173.4	0	0	0	0	110.8	L486 L489 I518 F567 L568 F569 V587 I589	L486-V516 HydrophobicContact CD2-CG1 4.22Å; L486-V516 HydrophobicContact CD2-CG2 4.33Å; L489-V516 HydrophobicContact CB-CG2 4.38Å; L489-V516 HydrophobicContact CD1-CG2 3.86Å; V516-I518 HydrophobicContact CG1-CG1 4.13Å; V516-F567 HydrophobicContact CG2-CE2 3.76Å; V516-F567 HydrophobicContact CG2-CZ 3.76Å; V516-F567 PolarHBondContact N-O 3.38Å; V516-L568 HydrophobicContact CB-CD2 3.85Å; V516-L568 HydrophobicContact CG1-CD2 4.37Å; V516-L568 HydrophobicContact CG2-CD2 4.43Å; V516-L568 CarbonylContact O-C 3.6Å; V516-L568 WeakPolarHBondContact O-CA 3Å; V516-F569 PolarHBondContact O-N 3.45Å; V516-V587 WeakPolarHBondContact CA-O 3.44Å; V516-V587 HydrophobicContact CB-CB 4.5Å; V516-V587 HydrophobicContact CG1-CB 4.39Å; V516-V587 HydrophobicContact CG1-CG1 4.16Å; V516-V587 HydrophobicContact CG2-CB 4.15Å; V516-V587 HydrophobicContact CG2-CG1 4.45Å; V516-I589 HydrophobicContact CG1-CD1 3.64Å; V516-I589 HydrophobicContact CG1-CG1 3.92Å
517	L	94.8	Very high	78.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.2	167	-52.4	-173.4	0	0	0	109.2	F519 F559 F569 L571 L582 A585 V587 V588 I589 A607	L517-F519 HydrophobicContact CB-CD2 4.43Å; L517-F519 HydrophobicContact CB-CE2 3.86Å; L517-F519 HydrophobicContact CB-CZ 4.48Å; L517-F519 HydrophobicContact CD1-CE2 4.14Å; L517-F519 HydrophobicContact CD1-CZ 4.26Å; L517-F559 HydrophobicContact CD2-CE1 4.11Å; L517-F559 HydrophobicContact CD2-CZ 3.93Å; L517-F569 CarbonylContact C-O 3.57Å; L517-F569 WeakPolarHBondContact CA-O 3.5Å; L517-F569 HydrophobicContact CD2-CB 3.57Å; L517-F569 HydrophobicContact CD2-CG 4.37Å; L517-L571 HydrophobicContact CB-CD1 4.48Å; L517-L571 HydrophobicContact CD2-CD1 4.37Å; L517-L582 HydrophobicContact CD1-CB 4.06Å; L517-L582 HydrophobicContact CD1-CD1 3.98Å; L517-L582 HydrophobicContact CD2-CB 4.29Å; L517-L582 HydrophobicContact CD2-CD1 3.78Å; L517-A585 HydrophobicContact CD1-CB 3.92Å; L517-A585 HydrophobicContact CD2-CB 3.56Å; L517-A585 HydrophobicContact CG-CB 3.49Å; L517-A585 VanDerWaalsContact CG-CB 3.49Å; L517-V587 PolarHBondContact N-O 3.34Å; L517-V588 HydrophobicContact CB-CG2 4.42Å; L517-V588 HydrophobicContact CD1-CG2 4.3Å; L517-V588 CarbonylContact O-C 3.6Å; L517-V588 WeakPolarHBondContact O-CA 3.36Å; L517-I589 PolarHBondContact O-N 2.82Å; L517-A607 HydrophobicContact CD1-CB 3.83Å
518	I	95.5	Very high	80.7	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.7	173.5	-54	178	0	0	0	108.1	L482 V516 L529 L568 F569 M570 L571 I589	L482-I518 HydrophobicContact CD1-CD1 4.33Å; V516-I518 HydrophobicContact CG1-CG1 4.13Å; I518-L529 HydrophobicContact CG2-CD1 3.83Å; I518-L568 HydrophobicContact CD1-CD2 4.3Å; I518-F569 PolarHBondContact N-O 3.16Å; I518-M570 WeakPolarHBondContact O-CA 3.36Å; I518-L571 PolarHBondContact O-N 3.15Å; I518-I589 WeakPolarHBondContact CA-O 3.13Å; I518-I589 HydrophobicContact CG1-CB 4.37Å; I518-I589 HydrophobicContact CG1-CD1 4.47Å
519	F	94.9	Very high	83.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.9	174.2	-67	-82.9	0	0	0	110.7	L517 L571 V588 I589 L590 Y591 A603 R606	L517-F519 HydrophobicContact CB-CD2 4.43Å; L517-F519 HydrophobicContact CB-CE2 3.86Å; L517-F519 HydrophobicContact CB-CZ 4.48Å; L517-F519 HydrophobicContact CD1-CE2 4.14Å; L517-F519 HydrophobicContact CD1-CZ 4.26Å; F519-L571 VanDerWaalsContact CA-O 3.3Å; F519-L571 WeakPolarHBondContact CA-O 3.47Å; F519-L571 HydrophobicContact CD1-CB 3.72Å; F519-L571 HydrophobicContact CE1-CB 3.66Å; F519-L571 HydrophobicContact CE1-CD1 4.04Å; F519-L571 HydrophobicContact CE1-CD2 4.3Å; F519-L571 HydrophobicContact CE1-CG 4.23Å; F519-L571 HydrophobicContact CZ-CD1 4.16Å; F519-V588 HydrophobicContact CD2-CG1 3.66Å; F519-V588 HydrophobicContact CE2-CG1 3.7Å; F519-I589 PolarHBondContact N-O 3.28Å; F519-L590 HydrophobicContact CB-CD2 3.81Å; F519-L590 HydrophobicContact CD2-CD2 3.89Å; F519-L590 HydrophobicContact CG-CD2 4.16Å; F519-Y591 VanDerWaalsContact O-CB 3.31Å; F519-Y591 WeakPolarHBondContact O-CB 3.21Å; F519-Y591 PolarHBondContact O-N 3.5Å; F519-A603 HydrophobicContact CD1-CB 3.93Å; F519-A603 HydrophobicContact CD2-CB 4.2Å; F519-A603 HydrophobicContact CE1-CB 3.8Å; F519-A603 HydrophobicContact CE2-CB 4.08Å; F519-A603 HydrophobicContact CG-CB 4.12Å; F519-A603 HydrophobicContact CZ-CB 3.87Å; F519-A603 WeakPolarHBondContact CZ-O 3.5Å; F519-R606 HydrophobicContact CZ-CG 4.49Å
520	S	94.9	Very high	85.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.5	166.5	-174.6	0	0	0	0	111.6	M522 L571 T572 T573 D592	S520-M522 PolarHBondContact OG-N 2.96Å; S520-L571 PolarHBondContact N-O 3.03Å; S520-L571 VanDerWaalsContact N-O 3.11Å; S520-T572 CarbonylContact O-C 3.53Å; S520-T572 WeakPolarHBondContact O-CA 3.41Å; S520-T573 PolarHBondContact O-N 2.94Å; S520-T573 PolarHBondContact O-OG1 3.25Å; S520-D592 WeakPolarHBondContact CA-OD1 3.29Å; S520-D592 WeakPolarHBondContact CB-OD1 3.36Å; S520-D592 PolarHBondContact OG-OD1 3.39Å
521	Q	92.7	Very high	87.9	Confident	42 Å²	42	27.5 Å²	27.5	20%	0.196	14%	0.138	C	C	.	.	S	Bend	trans	-77.3	-25.5	173.4	-65.6	-68.4	-22.9	0	0	113	T573 D592 D594	Q521-T573 PolarHBondContact NE2-OG1 3.12Å; Q521-D592 WeakPolarHBondContact CB-OD2 3.43Å; Q521-D592 PolarHBondContact N-OD1 3.34Å; Q521-D594 VanDerWaalsContact CD-OD2 3.3Å; Q521-D594 VanDerWaalsContact NE2-CG 3.33Å; Q521-D594 PolarHBondContact NE2-OD2 3.23Å; Q521-D594 PolarHBondContact OE1-OD2 3.25Å
522	M	91.2	Very high	90	Very high	24 Å²	24	22.9 Å²	22.9	12%	0.118	12%	0.118	C	C	.	.			trans	-105.8	121.8	-173.4	-57.4	-174.5	-171.8	0	0	110.6	M445 R448 K449 L456 S520 R524 M525 L526	M445-M522 HydrophobicContact SD-CE 3.84Å; R448-M522 HydrophobicContact CB-CE 3.91Å; K449-M522 HydrophobicContact CG-CE 3.68Å; K449-M522 HydrophobicContact CG-SD 3.65Å; L456-M522 HydrophobicContact CD1-SD 3.84Å; S520-M522 PolarHBondContact OG-N 2.96Å; M522-R524 VanDerWaalsContact C-N 3.3Å; M522-R524 PolarHBondContact O-N 2.98Å; M522-M525 HydrophobicContact CB-CB 4.04Å; M522-M525 WeakPolarHBondContact O-CB 3.17Å; M522-M525 PolarHBondContact O-N 3.29Å; M522-L526 PolarHBondContact O-N 3.09Å
523	S	92.7	Very high	91.8	Very high	60 Å²	60	22.1 Å²	22.1	42%	0.42	11%	0.111	S	C	.	.	H	α-helix	trans	-59	-40.7	174.9	51.9	0	0	0	0	112.3	M525 L526 D527	S523-M525 PolarHBondContact O-N 3.26Å; S523-M525 VanDerWaalsContact O-N 3.16Å; S523-L526 WeakPolarHBondContact O-CA 3.34Å; S523-L526 VanDerWaalsContact O-CB 3.26Å; S523-L526 WeakPolarHBondContact O-CB 3.42Å; S523-L526 PolarHBondContact O-N 2.99Å; S523-D527 PolarHBondContact O-N 3.21Å
524	R	93.2	Very high	93.1	Very high	105 Å²	105	26.7 Å²	26.7	40%	0.396	13%	0.134	S	C	.	.	H	α-helix	trans	-59.6	-24.7	174.6	-72.6	-174.3	66.1	174.4	-1.7	114.2	L456 D458 M522 D527 I528	L456-R524 HydrophobicContact CD2-CB 3.63Å; D458-R524 IonicContact OD1-CZ 2.99Å; D458-R524 IonicContact OD1-NH1 2.79Å; D458-R524 PolarHBondContact OD1-NH1 2.75Å; D458-R524 VanDerWaalsContact OD1-NH1 3.12Å; D458-R524 IonicContact OD1-NH2 3.83Å; D458-R524 PolarHBondContact OD1-NH2 3.04Å; M522-R524 VanDerWaalsContact C-N 3.3Å; M522-R524 PolarHBondContact O-N 2.98Å; R524-D527 WeakPolarHBondContact CA-OD2 3.46Å; R524-I528 PolarHBondContact O-N 3.38Å
525	M	94.7	Very high	93.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-74.5	-32.5	173.1	-173.6	66	-133.7	0	0	110.9	N452 H453 L456 M479 M522 S523 D527 I528 L529 Y591	N452-M525 HydrophobicContact CB-SD 4.01Å; H453-M525 HydrophobicContact CB-CE 4.18Å; H453-M525 HydrophobicContact CB-SD 3.74Å; L456-M525 HydrophobicContact CD1-SD 4.35Å; L456-M525 HydrophobicContact CD2-CB 4.45Å; M479-M525 HydrophobicContact SD-CE 4.04Å; M522-M525 HydrophobicContact CB-CB 4.04Å; M522-M525 WeakPolarHBondContact O-CB 3.17Å; M522-M525 PolarHBondContact O-N 3.29Å; S523-M525 PolarHBondContact O-N 3.26Å; S523-M525 VanDerWaalsContact O-N 3.16Å; M525-D527 VanDerWaalsContact C-N 3.32Å; M525-I528 HydrophobicContact CE-CB 4.15Å; M525-I528 HydrophobicContact CE-CG2 3.87Å; M525-I528 PolarHBondContact O-N 2.99Å; M525-I528 HydrophobicContact SD-CD1 4.47Å; M525-L529 HydrophobicContact CE-CD1 4.43Å; M525-L529 HydrophobicContact CE-CD2 4.04Å; M525-L529 HydrophobicContact CE-CG 3.82Å; M525-L529 HydrophobicContact CG-CD1 4.49Å; M525-L529 WeakPolarHBondContact O-CG 3.47Å; M525-L529 PolarHBondContact O-N 2.96Å; M525-Y591 HydrophobicContact CE-CE1 3.69Å; M525-Y591 HydrophobicContact CE-CE2 4.06Å; M525-Y591 VanDerWaalsContact CE-OH 3.22Å; M525-Y591 WeakPolarHBondContact CE-OH 3.43Å; M525-Y591 HydrophobicContact CG-CD1 4.02Å; M525-Y591 HydrophobicContact CG-CE1 3.9Å; M525-Y591 HydrophobicContact SD-CD1 4.39Å; M525-Y591 HydrophobicContact SD-CE1 3.67Å
526	L	94.8	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-35.5	172.9	-55.1	-173.7	0	0	0	111.4	M522 S523 I528 L529 E530 M570 T572	M522-L526 PolarHBondContact O-N 3.09Å; S523-L526 WeakPolarHBondContact O-CA 3.34Å; S523-L526 VanDerWaalsContact O-CB 3.26Å; S523-L526 WeakPolarHBondContact O-CB 3.42Å; S523-L526 PolarHBondContact O-N 2.99Å; L526-I528 VanDerWaalsContact C-N 3.35Å; L526-I528 PolarHBondContact O-N 2.9Å; L526-L529 HydrophobicContact CD2-CD1 4.22Å; L526-L529 PolarHBondContact O-N 3.07Å; L526-E530 VanDerWaalsContact O-CB 3.26Å; L526-E530 WeakPolarHBondContact O-CB 3.44Å; L526-E530 PolarHBondContact O-N 2.82Å; L526-M570 HydrophobicContact CD2-CB 4.25Å; L526-T572 HydrophobicContact CD1-CG2 3.56Å; L526-T572 HydrophobicContact CG-CG2 4.47Å
527	D	94.1	Very high	93.4	Very high	62 Å²	62	40.5 Å²	40.5	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-57.6	-48.2	172.8	-54.6	-24.4	0	0	0	110.6	S523 R524 M525 L529 E530 D531 R542	S523-D527 PolarHBondContact O-N 3.21Å; R524-D527 WeakPolarHBondContact CA-OD2 3.46Å; M525-D527 VanDerWaalsContact C-N 3.32Å; D527-L529 VanDerWaalsContact C-N 3.35Å; D527-L529 PolarHBondContact O-N 3.36Å; D527-E530 WeakPolarHBondContact O-CB 3.05Å; D527-E530 PolarHBondContact O-N 3.03Å; D527-E530 VanDerWaalsContact O-N 3.16Å; D527-D531 PolarHBondContact O-N 3.01Å; D527-R542 IonicContact OD1-CZ 3.82Å; D527-R542 IonicContact OD1-NH1 2.57Å; D527-R542 PolarHBondContact OD1-NH1 3.36Å; D527-R542 IonicContact OD1-NH2 3.18Å; D527-R542 PolarHBondContact OD1-NH2 3.01Å
528	I	94	Very high	93.2	Very high	15 Å²	15	41.3 Å²	41.3	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-40.4	177.5	-66.7	169.6	0	0	0	111.9	H453 L456 L472 R524 M525 L526 E530 Y532	H453-I528 HydrophobicContact CB-CD1 3.92Å; L456-I528 HydrophobicContact CD2-CD1 3.75Å; L456-I528 HydrophobicContact CG-CD1 4Å; L472-I528 HydrophobicContact CD1-CG2 3.94Å; L472-I528 HydrophobicContact CG-CG2 4.5Å; R524-I528 PolarHBondContact O-N 3.38Å; M525-I528 HydrophobicContact CE-CB 4.15Å; M525-I528 HydrophobicContact CE-CG2 3.87Å; M525-I528 PolarHBondContact O-N 2.99Å; M525-I528 HydrophobicContact SD-CD1 4.47Å; L526-I528 VanDerWaalsContact C-N 3.35Å; L526-I528 PolarHBondContact O-N 2.9Å; I528-E530 VanDerWaalsContact C-N 3.31Å; I528-Y532 WeakPolarHBondContact O-CB 3.38Å; I528-Y532 PolarHBondContact O-N 3.36Å
529	L	94.9	Very high	93	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-69.4	-31	177	-71.6	171.7	0	0	0	112.2	M479 L482 I518 M525 L526 D527 A533 M570 Y591	M479-L529 HydrophobicContact CE-CD2 4.11Å; M479-L529 HydrophobicContact SD-CD2 3.78Å; L482-L529 HydrophobicContact CD2-CD2 3.51Å; I518-L529 HydrophobicContact CG2-CD1 3.83Å; M525-L529 HydrophobicContact CE-CD1 4.43Å; M525-L529 HydrophobicContact CE-CD2 4.04Å; M525-L529 HydrophobicContact CE-CG 3.82Å; M525-L529 HydrophobicContact CG-CD1 4.49Å; M525-L529 WeakPolarHBondContact O-CG 3.47Å; M525-L529 PolarHBondContact O-N 2.96Å; L526-L529 HydrophobicContact CD2-CD1 4.22Å; L526-L529 PolarHBondContact O-N 3.07Å; D527-L529 VanDerWaalsContact C-N 3.35Å; D527-L529 PolarHBondContact O-N 3.36Å; L529-A533 VanDerWaalsContact O-CB 3.25Å; L529-A533 WeakPolarHBondContact O-CB 3.48Å; L529-A533 PolarHBondContact O-N 3.01Å; L529-M570 HydrophobicContact CB-SD 3.51Å; L529-M570 VanDerWaalsContact CB-SD 3.51Å; L529-Y591 HydrophobicContact CD1-CD2 4.47Å; L529-Y591 HydrophobicContact CD2-CE2 4.18Å
530	E	94.4	Very high	93	Very high	44 Å²	44	46.8 Å²	46.8	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-47.7	174.6	-177.1	161	-149.1	0	0	111	L526 D527 I528 Y532 A533 L534 Y540 R542 M570	L526-E530 VanDerWaalsContact O-CB 3.26Å; L526-E530 WeakPolarHBondContact O-CB 3.44Å; L526-E530 PolarHBondContact O-N 2.82Å; D527-E530 WeakPolarHBondContact O-CB 3.05Å; D527-E530 PolarHBondContact O-N 3.03Å; D527-E530 VanDerWaalsContact O-N 3.16Å; I528-E530 VanDerWaalsContact C-N 3.31Å; E530-Y532 VanDerWaalsContact C-N 3.32Å; E530-Y532 PolarHBondContact O-N 3.47Å; E530-A533 PolarHBondContact O-N 2.93Å; E530-A533 VanDerWaalsContact O-N 3.16Å; E530-L534 HydrophobicContact CG-CD1 4.34Å; E530-L534 WeakPolarHBondContact O-CB 3.12Å; E530-L534 WeakPolarHBondContact O-CG 3.32Å; E530-L534 PolarHBondContact O-N 3.45Å; E530-Y540 VanDerWaalsContact CD-OH 3.26Å; E530-Y540 HydrophobicContact CG-CE1 4.25Å; E530-Y540 HydrophobicContact CG-CE2 3.76Å; E530-Y540 VanDerWaalsContact CG-CZ 3.47Å; E530-Y540 WeakPolarHBondContact CG-OH 3.32Å; E530-Y540 WeakPolarHBondContact OE1-CE2 3.43Å; E530-Y540 PolarHBondContact OE1-OH 2.86Å; E530-R542 WeakPolarHBondContact OE2-CD 3.35Å; E530-R542 IonicContact OE2-CZ 3.52Å; E530-R542 IonicContact OE2-NE 3.09Å; E530-R542 IonicContact OE2-NH1 3.17Å; E530-R542 PolarHBondContact OE2-NH1 3.27Å; E530-M570 HydrophobicContact CB-CE 3.96Å; E530-M570 HydrophobicContact CG-CE 4.43Å
531	D	93.5	Very high	92.9	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-44	173.5	-68.3	-23.5	0	0	0	111.7	T468 L472 D527 L534 W535	T468-D531 HydrophobicContact CG2-CB 3.87Å; L472-D531 HydrophobicContact CD2-CB 4.46Å; D527-D531 PolarHBondContact O-N 3.01Å; D531-L534 PolarHBondContact O-N 2.97Å; D531-W535 WeakPolarHBondContact O-CB 3.5Å; D531-W535 PolarHBondContact O-N 2.82Å
532	Y	94.4	Very high	92.9	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-44.3	174.7	168.5	-95.8	0	0	0	112.4	V473 M479 L482 D483 L486 I528 E530 W535 K536 Y538	V473-Y532 HydrophobicContact CG2-CD2 3.87Å; V473-Y532 HydrophobicContact CG2-CE2 3.67Å; M479-Y532 HydrophobicContact CE-CD1 4.07Å; M479-Y532 HydrophobicContact CE-CD2 3.7Å; M479-Y532 HydrophobicContact CE-CE2 4.36Å; M479-Y532 HydrophobicContact CE-CG 3.54Å; L482-Y532 HydrophobicContact CD2-CE1 4.35Å; D483-Y532 WeakPolarHBondContact CA-OH 3.4Å; D483-Y532 HydrophobicContact CB-CE2 4.34Å; D483-Y532 WeakPolarHBondContact OD1-CE2 3.38Å; D483-Y532 PolarHBondContact OD1-OH 2.7Å; L486-Y532 HydrophobicContact CD1-CE1 3.87Å; I528-Y532 WeakPolarHBondContact O-CB 3.38Å; I528-Y532 PolarHBondContact O-N 3.36Å; E530-Y532 VanDerWaalsContact C-N 3.32Å; E530-Y532 PolarHBondContact O-N 3.47Å; Y532-W535 HydrophobicContact CD2-CE3 4.13Å; Y532-W535 HydrophobicContact CD2-CZ3 4.36Å; Y532-W535 HydrophobicContact CE2-CE3 4.48Å; Y532-W535 HydrophobicContact CE2-CZ3 4.44Å; Y532-W535 PolarHBondContact O-N 3.5Å; Y532-K536 HydrophobicContact CD2-CG 4.15Å; Y532-K536 HydrophobicContact CE1-CG 4.35Å; Y532-K536 HydrophobicContact CE2-CD 4.34Å; Y532-K536 HydrophobicContact CE2-CG 3.63Å; Y532-K536 WeakPolarHBondContact O-CB 3.48Å; Y532-K536 PolarHBondContact O-N 3.46Å; Y532-Y538 HydrophobicContact CE1-CD2 4.44Å; Y532-Y538 HydrophobicContact CE1-CE2 4.34Å
533	A	92.9	Very high	92.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-39.7	179.8	0	0	0	0	0	111.6	L529 E530 Q537 Y538 Y540 L568	L529-A533 VanDerWaalsContact O-CB 3.25Å; L529-A533 WeakPolarHBondContact O-CB 3.48Å; L529-A533 PolarHBondContact O-N 3.01Å; E530-A533 PolarHBondContact O-N 2.93Å; E530-A533 VanDerWaalsContact O-N 3.16Å; A533-Q537 PolarHBondContact O-N 3Å; A533-Y538 PolarHBondContact O-N 2.93Å; A533-Y540 HydrophobicContact CB-CD1 3.83Å; A533-Y540 HydrophobicContact CB-CE1 4.36Å; A533-Y540 HydrophobicContact CB-CG 4.45Å; A533-L568 HydrophobicContact CB-CD1 4.16Å
534	L	92.2	Very high	92.7	Very high	101 Å²	101	44.1 Å²	44.1	53%	0.529	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-47.2	173.4	-74.6	170.5	0	0	0	111.3	E530 D531 K536 Q537 Y540	E530-L534 HydrophobicContact CG-CD1 4.34Å; E530-L534 WeakPolarHBondContact O-CB 3.12Å; E530-L534 WeakPolarHBondContact O-CG 3.32Å; E530-L534 PolarHBondContact O-N 3.45Å; D531-L534 PolarHBondContact O-N 2.97Å; L534-K536 PolarHBondContact O-N 3.17Å; L534-Q537 PolarHBondContact O-N 3.04Å; L534-Q537 VanDerWaalsContact O-N 3.13Å; L534-Y540 HydrophobicContact CD2-CE1 3.93Å; L534-Y540 HydrophobicContact CG-CE1 3.99Å
535	W	92.5	Very high	92.2	Very high	81 Å²	81	42.3 Å²	42.3	31%	0.307	22%	0.218	S	C	.	.	H	α-helix	trans	-61.6	-43.3	178.6	174.6	52.7	0	0	0	112.9	T468 Q470 V473 D531 Y532 Q537	T468-W535 PolarHBondContact O-NE1 3.08Å; Q470-W535 HydrophobicContact CB-CH2 4.29Å; V473-W535 HydrophobicContact CG2-CZ3 3.86Å; D531-W535 WeakPolarHBondContact O-CB 3.5Å; D531-W535 PolarHBondContact O-N 2.82Å; Y532-W535 HydrophobicContact CD2-CE3 4.13Å; Y532-W535 HydrophobicContact CD2-CZ3 4.36Å; Y532-W535 HydrophobicContact CE2-CE3 4.48Å; Y532-W535 HydrophobicContact CE2-CZ3 4.44Å; Y532-W535 PolarHBondContact O-N 3.5Å; W535-Q537 VanDerWaalsContact C-N 3.25Å; W535-Q537 PolarHBondContact O-N 3.09Å
536	K	90	Very high	91.7	Very high	66 Å²	66	47 Å²	47	29%	0.287	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1.8	176.8	-65.4	-77.2	172.1	148	0	113.8	D483 Y532 L534 Y538	D483-K536 VanDerWaalsContact CG-NZ 3.33Å; D483-K536 WeakPolarHBondContact OD1-CE 3.31Å; D483-K536 IonicContact OD1-NZ 3.96Å; D483-K536 PolarHBondContact OD1-NZ 3.47Å; D483-K536 IonicContact OD2-NZ 2.76Å; D483-K536 PolarHBondContact OD2-NZ 3.46Å; D483-K536 VanDerWaalsContact OD2-NZ 3.09Å; Y532-K536 HydrophobicContact CD2-CG 4.15Å; Y532-K536 HydrophobicContact CE1-CG 4.35Å; Y532-K536 HydrophobicContact CE2-CD 4.34Å; Y532-K536 HydrophobicContact CE2-CG 3.63Å; Y532-K536 WeakPolarHBondContact O-CB 3.48Å; Y532-K536 PolarHBondContact O-N 3.46Å; L534-K536 PolarHBondContact O-N 3.17Å; K536-Y538 VanDerWaalsContact C-N 3.31Å; K536-Y538 HydrophobicContact CB-CD2 3.72Å; K536-Y538 HydrophobicContact CB-CE2 3.67Å; K536-Y538 HydrophobicContact CG-CE2 4.39Å; K536-Y538 PolarHBondContact O-N 3.31Å
537	Q	88.9	Confident	91.1	Very high	173 Å²	173	47.8 Å²	47.8	81%	0.808	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	35.7	179.7	-56	179.2	-11.6	0	0	114.2	A533 L534 W535	A533-Q537 PolarHBondContact O-N 3Å; L534-Q537 PolarHBondContact O-N 3.04Å; L534-Q537 VanDerWaalsContact O-N 3.13Å; W535-Q537 VanDerWaalsContact C-N 3.25Å; W535-Q537 PolarHBondContact O-N 3.09Å
538	Y	90.9	Very high	90.5	Very high	17 Å²	17	48.1 Å²	48.1	7%	0.067	26%	0.261	C	S	.	.			trans	-82.7	123.1	171.5	-69.8	-52.3	0	0	0	110.9	L486 P487 Y532 A533 K536 Y540 F567 L568	L486-Y538 HydrophobicContact CB-CE2 4.13Å; L486-Y538 HydrophobicContact CD1-CD2 4.34Å; L486-Y538 HydrophobicContact CD1-CE2 4.01Å; P487-Y538 WeakPolarHBondContact CG-OH 3.36Å; Y532-Y538 HydrophobicContact CE1-CD2 4.44Å; Y532-Y538 HydrophobicContact CE1-CE2 4.34Å; A533-Y538 PolarHBondContact O-N 2.93Å; K536-Y538 VanDerWaalsContact C-N 3.31Å; K536-Y538 HydrophobicContact CB-CD2 3.72Å; K536-Y538 HydrophobicContact CB-CE2 3.67Å; K536-Y538 HydrophobicContact CG-CE2 4.39Å; K536-Y538 PolarHBondContact O-N 3.31Å; Y538-Y540 WeakPolarHBondContact O-CD1 3.19Å; Y538-Y540 PolarHBondContact O-N 3.35Å; Y538-F567 AromaticContact CD1-CD1 3.59Å; Y538-F567 HydrophobicContact CD1-CD1 3.59Å; Y538-F567 AromaticContact CD1-CE1 3.89Å; Y538-F567 HydrophobicContact CD1-CE1 3.89Å; Y538-F567 HydrophobicContact CE1-CD1 4.06Å; Y538-F567 AromaticContact CE1-CE1 3.91Å; Y538-F567 HydrophobicContact CE1-CE1 3.91Å; Y538-F567 HydrophobicContact CG-CD1 4.13Å; Y538-F567 HydrophobicContact CG-CE1 4.46Å; Y538-L568 HydrophobicContact CD2-CD1 4.19Å; Y538-L568 HydrophobicContact CG-CD1 4.14Å
539	N	91.7	Very high	89.5	Confident	75 Å²	75	49.1 Å²	49.1	40%	0.401	27%	0.265	S	S	.	.			trans	-67.7	121.2	170.8	-77.2	-26.1	0	0	0	110.8	E565 K566 F567 L568	N539-E565 WeakPolarHBondContact CB-O 3.4Å; N539-E565 PolarHBondContact ND2-O 3.23Å; N539-K566 HydrophobicContact CB-CD 4.23Å; N539-F567 PolarHBondContact O-N 3.04Å; N539-L568 PolarHBondContact O-N 3.35Å; N539-L568 VanDerWaalsContact O-N 3.13Å
540	Y	93.7	Very high	88.8	Confident	43 Å²	43	55.9 Å²	55.9	17%	0.169	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	166	-176.7	70.9	-88.5	0	0	0	114.2	E530 A533 L534 Y538 R542 K566 L568 M570	E530-Y540 VanDerWaalsContact CD-OH 3.26Å; E530-Y540 HydrophobicContact CG-CE1 4.25Å; E530-Y540 HydrophobicContact CG-CE2 3.76Å; E530-Y540 VanDerWaalsContact CG-CZ 3.47Å; E530-Y540 WeakPolarHBondContact CG-OH 3.32Å; E530-Y540 WeakPolarHBondContact OE1-CE2 3.43Å; E530-Y540 PolarHBondContact OE1-OH 2.86Å; A533-Y540 HydrophobicContact CB-CD1 3.83Å; A533-Y540 HydrophobicContact CB-CE1 4.36Å; A533-Y540 HydrophobicContact CB-CG 4.45Å; L534-Y540 HydrophobicContact CD2-CE1 3.93Å; L534-Y540 HydrophobicContact CG-CE1 3.99Å; Y538-Y540 WeakPolarHBondContact O-CD1 3.19Å; Y538-Y540 PolarHBondContact O-N 3.35Å; Y540-R542 HydrophobicContact CE2-CB 4.47Å; Y540-K566 WeakPolarHBondContact O-CD 3.44Å; Y540-K566 PolarHBondContact O-NZ 3.43Å; Y540-L568 CarbonylContact C-O 3.6Å; Y540-L568 WeakPolarHBondContact CA-O 3.49Å; Y540-M570 HydrophobicContact CD1-CE 4.36Å; Y540-M570 HydrophobicContact CD2-CE 3.17Å; Y540-M570 HydrophobicContact CE2-CE 3.66Å; Y540-M570 HydrophobicContact CG-CE 3.6Å
541	C	93.4	Very high	88.4	Confident	8 Å²	8	59.2 Å²	59.2	5%	0.054	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.9	162.6	-71.6	0	0	0	0	109.2	L568 F569 M570	C541-L568 PolarHBondContact N-O 3.25Å; C541-F569 HydrophobicContact CB-CD1 4.01Å; C541-F569 HydrophobicContact CB-CD2 4.01Å; C541-F569 HydrophobicContact CB-CE1 4.01Å; C541-F569 HydrophobicContact CB-CE2 4Å; C541-F569 HydrophobicContact CB-CG 4Å; C541-F569 HydrophobicContact CB-CZ 4Å; C541-F569 CarbonylContact O-C 3.11Å; C541-F569 WeakPolarHBondContact O-CA 3.27Å; C541-M570 PolarHBondContact O-N 2.77Å
542	R	93	Very high	87.9	Confident	53 Å²	53	57.7 Å²	57.7	20%	0.2	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.9	179.2	176.3	-179.4	167.8	153.7	3.5	110.2	D527 E530 Y540 D544 M570	D527-R542 IonicContact OD1-CZ 3.82Å; D527-R542 IonicContact OD1-NH1 2.57Å; D527-R542 PolarHBondContact OD1-NH1 3.36Å; D527-R542 IonicContact OD1-NH2 3.18Å; D527-R542 PolarHBondContact OD1-NH2 3.01Å; E530-R542 WeakPolarHBondContact OE2-CD 3.35Å; E530-R542 IonicContact OE2-CZ 3.52Å; E530-R542 IonicContact OE2-NE 3.09Å; E530-R542 IonicContact OE2-NH1 3.17Å; E530-R542 PolarHBondContact OE2-NH1 3.27Å; Y540-R542 HydrophobicContact CE2-CB 4.47Å; R542-D544 IonicContact CZ-OD2 3.82Å; R542-D544 IonicContact NE-OD2 2.82Å; R542-D544 PolarHBondContact NE-OD2 3.48Å; R542-D544 IonicContact NH2-OD2 4Å; R542-D544 PolarHBondContact NH2-OD2 3.44Å; R542-M570 CarbonylContact C-O 3.59Å; R542-M570 WeakPolarHBondContact CA-O 3.49Å
543	L	90.6	Very high	87.2	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	114.9	174.3	-172.2	169.8	0	0	0	110.8	R552 I556 F569 M570 L571 T572 A575 I580	L543-R552 HydrophobicContact CD1-CG 3.62Å; L543-R552 HydrophobicContact CG-CG 4.09Å; L543-I556 HydrophobicContact CD1-CD1 4.33Å; L543-I556 HydrophobicContact CD1-CG1 4.46Å; L543-F569 HydrophobicContact CB-CE1 3.62Å; L543-F569 HydrophobicContact CB-CZ 4.24Å; L543-F569 HydrophobicContact CD1-CE1 4.34Å; L543-F569 HydrophobicContact CD1-CZ 4.26Å; L543-M570 PolarHBondContact N-O 3.05Å; L543-L571 HydrophobicContact CB-CD2 4.18Å; L543-L571 HydrophobicContact CB-CG 4.35Å; L543-L571 HydrophobicContact CD1-CD2 4.15Å; L543-L571 HydrophobicContact CD2-CD2 4.47Å; L543-L571 WeakPolarHBondContact O-CA 3.35Å; L543-T572 PolarHBondContact O-N 2.79Å; L543-T572 VanDerWaalsContact O-N 3.1Å; L543-A575 HydrophobicContact CD2-CB 3.44Å; L543-A575 VanDerWaalsContact CD2-CB 3.44Å; L543-I580 HydrophobicContact CD1-CD1 4.14Å; L543-I580 HydrophobicContact CD1-CG2 4.43Å
544	D	89.6	Confident	87	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.043	34%	0.335	C	S	.	.			trans	-127.7	-176.2	175.3	60.3	28.3	0	0	0	111.9	R542 S546 T547 T572	R542-D544 IonicContact CZ-OD2 3.82Å; R542-D544 IonicContact NE-OD2 2.82Å; R542-D544 PolarHBondContact NE-OD2 3.48Å; R542-D544 IonicContact NH2-OD2 4Å; R542-D544 PolarHBondContact NH2-OD2 3.44Å; D544-S546 PolarHBondContact O-N 2.95Å; D544-S546 PolarHBondContact OD1-N 3.43Å; D544-S546 VanDerWaalsContact OD1-N 3.1Å; D544-S546 PolarHBondContact OD1-OG 3.17Å; D544-S546 PolarHBondContact OD2-OG 3.17Å; D544-T547 PolarHBondContact N-OG1 3.32Å; D544-T547 PolarHBondContact O-N 2.88Å; D544-T547 PolarHBondContact O-OG1 3.39Å; D544-T547 PolarHBondContact OD1-N 3.09Å; D544-T547 VanDerWaalsContact OD1-N 3.08Å; D544-T547 PolarHBondContact OD1-OG1 3.3Å; D544-T572 HydrophobicContact CB-CG2 3.79Å
545	G	81.6	Confident	86.9	Confident	68 Å²	68	59.3 Å²	59.3	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.8	-179.3	0	0	0	0	0	114
546	S	84.9	Confident	86.6	Confident	98 Å²	98	56 Å²	56	69%	0.685	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.2	180	30.7	0	0	0	0	113.8	D544 P548	D544-S546 PolarHBondContact O-N 2.95Å; D544-S546 PolarHBondContact OD1-N 3.43Å; D544-S546 VanDerWaalsContact OD1-N 3.1Å; D544-S546 PolarHBondContact OD1-OG 3.17Å; D544-S546 PolarHBondContact OD2-OG 3.17Å; S546-P548 WeakPolarHBondContact O-CD 3.36Å
547	T	82.6	Confident	86.5	Confident	17 Å²	17	57 Å²	57	10%	0.104	32%	0.316	C	S	.	.	S	Bend	trans	-63.5	122.3	-176.6	-41.5	0	0	0	0	111.8	D544 E551 R552	D544-T547 PolarHBondContact N-OG1 3.32Å; D544-T547 PolarHBondContact O-N 2.88Å; D544-T547 PolarHBondContact O-OG1 3.39Å; D544-T547 PolarHBondContact OD1-N 3.09Å; D544-T547 VanDerWaalsContact OD1-N 3.08Å; D544-T547 PolarHBondContact OD1-OG1 3.3Å; T547-E551 HydrophobicContact CG2-CB 4.04Å; T547-R552 HydrophobicContact CG2-CB 4.41Å; T547-R552 PolarHBondContact O-NH2 3.23Å
548	P	81.7	Confident	86.6	Confident	68 Å²	68	50.8 Å²	50.8	44%	0.442	30%	0.295	S	S	.	.			trans	-54.1	152	173.9	-25.5	34.2	0	0	0	112.7	S546 E550 E551 R552	S546-P548 WeakPolarHBondContact O-CD 3.36Å; P548-E550 VanDerWaalsContact C-N 3.31Å; P548-E550 PolarHBondContact O-N 3.4Å; P548-E551 WeakPolarHBondContact CD-OE2 3.45Å; P548-E551 PolarHBondContact O-N 2.99Å; P548-R552 WeakPolarHBondContact O-CB 3.43Å; P548-R552 PolarHBondContact O-N 2.85Å
549	H	73.1	Confident	86.5	Confident	36 Å²	36	50 Å²	50	17%	0.167	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-32	-173.5	-171.8	51.1	0	0	0	113.5	R221 Q553	R221-H549 WeakPolarHBondContact CD-NE2 3.26Å; R221-H549 WeakPolarHBondContact CG-NE2 3.45Å; R221-H549 PolarHBondContact NE-CD2 3.07Å; R221-H549 PolarHBondContact NE-NE2 2.96Å; R221-H549 PolarHBondContact NH1-CD2 3.16Å; R221-H549 VanDerWaalsContact NH1-CD2 3.3Å; R221-H549 PolarHBondContact NH1-O 3.49Å; H549-Q553 PolarHBondContact O-N 3.12Å
550	E	79.4	Confident	86.3	Confident	144 Å²	144	48.4 Å²	48.4	67%	0.673	28%	0.283	S	S	*	.	H	α-helix	trans	-67.7	-52.6	176.7	-71.1	175.4	-170.7	0	0	112	R221 P548 R552 Q553 A554	R221-E550 VanDerWaalsContact NH2-CG 3.3Å; P548-E550 VanDerWaalsContact C-N 3.31Å; P548-E550 PolarHBondContact O-N 3.4Å; E550-R552 VanDerWaalsContact C-N 3.28Å; E550-R552 PolarHBondContact O-N 2.94Å; E550-Q553 PolarHBondContact O-N 3Å; E550-Q553 VanDerWaalsContact O-N 3.13Å; E550-A554 PolarHBondContact O-N 3.26Å
551	E	85.2	Confident	86	Confident	115 Å²	115	51.1 Å²	51.1	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-37.2	176.3	-67.7	178.3	-168	0	0	112.6	T547 P548 Q553 A554 S555	T547-E551 HydrophobicContact CG2-CB 4.04Å; P548-E551 WeakPolarHBondContact CD-OE2 3.45Å; P548-E551 PolarHBondContact O-N 2.99Å; E551-Q553 VanDerWaalsContact C-N 3.34Å; E551-Q553 PolarHBondContact O-N 3.16Å; E551-A554 PolarHBondContact O-N 3Å; E551-S555 WeakPolarHBondContact O-CB 3.36Å; E551-S555 PolarHBondContact O-N 3.2Å; E551-S555 PolarHBondContact O-OG 3.44Å
552	R	83.2	Confident	85.5	Confident	39 Å²	39	54.8 Å²	54.8	15%	0.147	32%	0.321	C	S	.	.	H	α-helix	trans	-56.9	-49	173.9	-177.4	-176.8	-55.5	167.1	5.5	111.4	L543 T547 P548 E550 S555 I556	L543-R552 HydrophobicContact CD1-CG 3.62Å; L543-R552 HydrophobicContact CG-CG 4.09Å; T547-R552 HydrophobicContact CG2-CB 4.41Å; T547-R552 PolarHBondContact O-NH2 3.23Å; P548-R552 WeakPolarHBondContact O-CB 3.43Å; P548-R552 PolarHBondContact O-N 2.85Å; E550-R552 VanDerWaalsContact C-N 3.28Å; E550-R552 PolarHBondContact O-N 2.94Å; R552-S555 PolarHBondContact O-N 3.08Å; R552-I556 HydrophobicContact CG-CD1 3.97Å; R552-I556 WeakPolarHBondContact O-CD1 3.41Å; R552-I556 VanDerWaalsContact O-CG1 3.24Å; R552-I556 WeakPolarHBondContact O-CG1 3.26Å; R552-I556 PolarHBondContact O-N 3.26Å; R552-I556 VanDerWaalsContact O-N 3.09Å
553	Q	80.8	Confident	85	Confident	46 Å²	46	57 Å²	57	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-67.1	-45.5	-178.5	-172.3	59.7	47.1	0	0	110.7	H549 E550 E551 S555 I556 D557	H549-Q553 PolarHBondContact O-N 3.12Å; E550-Q553 PolarHBondContact O-N 3Å; E550-Q553 VanDerWaalsContact O-N 3.13Å; E551-Q553 VanDerWaalsContact C-N 3.34Å; E551-Q553 PolarHBondContact O-N 3.16Å; Q553-S555 VanDerWaalsContact C-N 3.29Å; Q553-S555 PolarHBondContact O-N 3.28Å; Q553-I556 PolarHBondContact O-N 3.4Å; Q553-D557 WeakPolarHBondContact CG-OD2 3.47Å; Q553-D557 VanDerWaalsContact NE2-CG 3.3Å; Q553-D557 PolarHBondContact NE2-OD1 3.35Å; Q553-D557 PolarHBondContact NE2-OD2 3.19Å; Q553-D557 VanDerWaalsContact O-CG 3.3Å; Q553-D557 PolarHBondContact O-N 3.44Å
554	A	88.1	Confident	84.8	Confident	61 Å²	61	57.3 Å²	57.3	50%	0.504	34%	0.339	S	S	.	.	H	α-helix	trans	-57.3	-41.4	176.4	0	0	0	0	0	112.3	E550 E551 D557 A558	E550-A554 PolarHBondContact O-N 3.26Å; E551-A554 PolarHBondContact O-N 3Å; A554-D557 PolarHBondContact O-N 3.31Å; A554-A558 WeakPolarHBondContact O-CB 3.4Å; A554-A558 PolarHBondContact O-N 2.89Å
555	S	89.7	Confident	84.6	Confident	29 Å²	29	64.1 Å²	64.1	20%	0.203	37%	0.37	C	S	.	.	H	α-helix	trans	-67	-40.1	177.4	-62.1	0	0	0	0	112.8	E551 R552 Q553 F559	E551-S555 WeakPolarHBondContact O-CB 3.36Å; E551-S555 PolarHBondContact O-N 3.2Å; E551-S555 PolarHBondContact O-OG 3.44Å; R552-S555 PolarHBondContact O-N 3.08Å; Q553-S555 VanDerWaalsContact C-N 3.29Å; Q553-S555 PolarHBondContact O-N 3.28Å; S555-F559 WeakPolarHBondContact O-CB 3.48Å; S555-F559 PolarHBondContact O-N 3.13Å
556	I	86.7	Confident	85	Confident	12 Å²	12	64.1 Å²	64.1	6%	0.062	35%	0.351	C	S	.	.	H	α-helix	trans	-64.4	-45.6	175.9	-68.8	165.2	0	0	0	110.5	L543 R552 Q553 F559 N560 F569 I580	L543-I556 HydrophobicContact CD1-CD1 4.33Å; L543-I556 HydrophobicContact CD1-CG1 4.46Å; R552-I556 HydrophobicContact CG-CD1 3.97Å; R552-I556 WeakPolarHBondContact O-CD1 3.41Å; R552-I556 VanDerWaalsContact O-CG1 3.24Å; R552-I556 WeakPolarHBondContact O-CG1 3.26Å; R552-I556 PolarHBondContact O-N 3.26Å; R552-I556 VanDerWaalsContact O-N 3.09Å; Q553-I556 PolarHBondContact O-N 3.4Å; I556-F559 PolarHBondContact O-N 3.33Å; I556-N560 WeakPolarHBondContact CG2-ND2 3.35Å; I556-N560 WeakPolarHBondContact O-CB 3.46Å; I556-N560 PolarHBondContact O-N 2.79Å; I556-N560 PolarHBondContact O-ND2 2.83Å; I556-F569 HydrophobicContact CG1-CE2 4.46Å; I556-F569 HydrophobicContact CG1-CZ 4.32Å; I556-I580 HydrophobicContact CD1-CB 4Å; I556-I580 HydrophobicContact CD1-CG2 3.55Å
557	D	88	Confident	85.3	Confident	86 Å²	86	59.7 Å²	59.7	46%	0.46	32%	0.32	S	S	.	.	H	α-helix	trans	-68.2	-42.3	-179.2	-65.3	-25.1	0	0	0	111	Q553 A554 F559 N560 H561	Q553-D557 WeakPolarHBondContact CG-OD2 3.47Å; Q553-D557 VanDerWaalsContact NE2-CG 3.3Å; Q553-D557 PolarHBondContact NE2-OD1 3.35Å; Q553-D557 PolarHBondContact NE2-OD2 3.19Å; Q553-D557 VanDerWaalsContact O-CG 3.3Å; Q553-D557 PolarHBondContact O-N 3.44Å; A554-D557 PolarHBondContact O-N 3.31Å; D557-F559 VanDerWaalsContact C-N 3.31Å; D557-F559 PolarHBondContact O-N 2.79Å; D557-N560 PolarHBondContact O-N 2.95Å; D557-H561 PolarHBondContact O-N 3.23Å
558	A	90.3	Very high	85.8	Confident	43 Å²	43	59 Å²	59	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-41	174.5	0	0	0	0	0	112	A554 S564	A554-A558 WeakPolarHBondContact O-CB 3.4Å; A554-A558 PolarHBondContact O-N 2.89Å; A558-S564 WeakPolarHBondContact O-CB 3.44Å; A558-S564 PolarHBondContact O-OG 2.54Å
559	F	90	Very high	86.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-74.2	-32.8	177.7	-173.4	-92.1	0	0	0	113.2	R515 L517 S555 I556 D557 K566 F569 L582 T584 A585	R515-F559 HydrophobicContact CB-CE2 4.41Å; R515-F559 HydrophobicContact CB-CZ 3.78Å; R515-F559 PolarHBondContact NH1-O 2.85Å; L517-F559 HydrophobicContact CD2-CE1 4.11Å; L517-F559 HydrophobicContact CD2-CZ 3.93Å; S555-F559 WeakPolarHBondContact O-CB 3.48Å; S555-F559 PolarHBondContact O-N 3.13Å; I556-F559 PolarHBondContact O-N 3.33Å; D557-F559 VanDerWaalsContact C-N 3.31Å; D557-F559 PolarHBondContact O-N 2.79Å; F559-K566 HydrophobicContact CD2-CB 3.8Å; F559-K566 HydrophobicContact CE2-CB 4.48Å; F559-F569 HydrophobicContact CB-CD2 3.68Å; F559-F569 HydrophobicContact CB-CE2 3.82Å; F559-F569 AromaticContact CD1-CD2 3.84Å; F559-F569 HydrophobicContact CD1-CD2 3.84Å; F559-F569 HydrophobicContact CD2-CB 3.98Å; F559-F569 AromaticContact CD2-CD2 3.64Å; F559-F569 HydrophobicContact CD2-CD2 3.64Å; F559-F569 HydrophobicContact CD2-CG 4.25Å; F559-F569 HydrophobicContact CE1-CD2 4.34Å; F559-F569 HydrophobicContact CE2-CB 3.73Å; F559-F569 HydrophobicContact CE2-CD2 4.18Å; F559-F569 HydrophobicContact CE2-CG 4.46Å; F559-F569 AromaticContact CG-CD2 3.44Å; F559-F569 HydrophobicContact CG-CD2 3.44Å; F559-F569 VanDerWaalsContact CG-CD2 3.44Å; F559-F569 HydrophobicContact CG-CE2 4.1Å; F559-F569 HydrophobicContact CG-CG 4.44Å; F559-F569 HydrophobicContact CZ-CB 4.07Å; F559-F569 HydrophobicContact CZ-CD2 4.48Å; F559-L582 HydrophobicContact CD1-CD2 3.82Å; F559-L582 HydrophobicContact CE1-CD2 4.36Å; F559-T584 WeakPolarHBondContact CD1-OG1 3.39Å; F559-T584 WeakPolarHBondContact CE1-OG1 3.32Å; F559-T584 PolarHBondContact O-OG1 3.2Å; F559-A585 HydrophobicContact CE1-CB 3.95Å; F559-A585 HydrophobicContact CZ-CB 4.06Å
560	N	87.3	Confident	87.5	Confident	42 Å²	42	54.1 Å²	54.1	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-82.9	-10.7	179.1	-76.5	-35.4	0	0	0	114	I556 D557 N581 T584	I556-N560 WeakPolarHBondContact CG2-ND2 3.35Å; I556-N560 WeakPolarHBondContact O-CB 3.46Å; I556-N560 PolarHBondContact O-N 2.79Å; I556-N560 PolarHBondContact O-ND2 2.83Å; D557-N560 PolarHBondContact O-N 2.95Å; N560-N581 PolarHBondContact ND2-O 3.16Å; N560-T584 HydrophobicContact CB-CG2 4.34Å; N560-T584 PolarHBondContact OD1-OG1 2.94Å; N560-T584 VanDerWaalsContact OD1-OG1 3.1Å
561	H	86.9	Confident	88.2	Confident	100 Å²	100	47.2 Å²	47.2	46%	0.463	26%	0.255	S	S	.	.	S	Bend	trans	-54.7	137.2	175.3	-163.7	-89.3	0	0	0	110.7	R515 D557 D563 S564	R515-H561 PolarHBondContact NH1-O 3.3Å; R515-H561 PolarHBondContact NH2-O 2.95Å; D557-H561 PolarHBondContact O-N 3.23Å; H561-D563 IonicContact CE1-OD2 3.77Å; H561-D563 PolarHBondContact ND1-N 2.85Å; H561-D563 PolarHBondContact O-N 2.81Å; H561-S564 VanDerWaalsContact O-CB 3.28Å; H561-S564 WeakPolarHBondContact O-CB 3.34Å; H561-S564 PolarHBondContact O-N 2.92Å; H561-S564 VanDerWaalsContact O-N 3.1Å
562	P	82.4	Confident	88.5	Confident	86 Å²	86	42.5 Å²	42.5	56%	0.558	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-41.8	-178.9	20	-32.3	0	0	0	111.8	R515 S564	R515-P562 PolarHBondContact NH2-O 2.89Å; P562-S564 PolarHBondContact O-N 3.26Å
563	D	82.9	Confident	88.7	Confident	99 Å²	99	40.7 Å²	40.7	53%	0.529	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	28.5	179.5	-52.6	-47.1	0	0	0	113.1	H561 E565	H561-D563 IonicContact CE1-OD2 3.77Å; H561-D563 PolarHBondContact ND1-N 2.85Å; H561-D563 PolarHBondContact O-N 2.81Å; D563-E565 PolarHBondContact O-N 3.01Å
564	S	86.1	Confident	88.7	Confident	7 Å²	7	46.6 Å²	46.6	5%	0.049	25%	0.247	C	C	.	.			trans	-63.3	127.8	178.7	-170.3	0	0	0	0	111.7	A558 H561 P562 K566	A558-S564 WeakPolarHBondContact O-CB 3.44Å; A558-S564 PolarHBondContact O-OG 2.54Å; H561-S564 VanDerWaalsContact O-CB 3.28Å; H561-S564 WeakPolarHBondContact O-CB 3.34Å; H561-S564 PolarHBondContact O-N 2.92Å; H561-S564 VanDerWaalsContact O-N 3.1Å; P562-S564 PolarHBondContact O-N 3.26Å; S564-K566 PolarHBondContact O-N 3.41Å; S564-K566 WeakPolarHBondContact OG-CB 3.44Å; S564-K566 WeakPolarHBondContact OG-CG 3.42Å; S564-K566 PolarHBondContact OG-N 3.44Å
565	E	86.5	Confident	88.2	Confident	150 Å²	150	44 Å²	44	70%	0.701	23%	0.225	S	C	*	.			trans	-77.7	-5.9	170.8	-59.6	-177.7	171.4	0	0	112.7	N539 D563 F567	N539-E565 WeakPolarHBondContact CB-O 3.4Å; N539-E565 PolarHBondContact ND2-O 3.23Å; D563-E565 PolarHBondContact O-N 3.01Å; E565-F567 PolarHBondContact O-N 3.17Å
566	K	89.8	Confident	87.3	Confident	69 Å²	69	42.6 Å²	42.6	30%	0.3	22%	0.215	S	C	.	.			trans	-75.8	114.6	-177	-56.8	-60.4	-167.9	170.6	0	110.3	N539 Y540 F559 S564	N539-K566 HydrophobicContact CB-CD 4.23Å; Y540-K566 WeakPolarHBondContact O-CD 3.44Å; Y540-K566 PolarHBondContact O-NZ 3.43Å; F559-K566 HydrophobicContact CD2-CB 3.8Å; F559-K566 HydrophobicContact CE2-CB 4.48Å; S564-K566 PolarHBondContact O-N 3.41Å; S564-K566 WeakPolarHBondContact OG-CB 3.44Å; S564-K566 WeakPolarHBondContact OG-CG 3.42Å; S564-K566 PolarHBondContact OG-N 3.44Å
567	F	91	Very high	86.3	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.018	22%	0.215	C	C	.	.			trans	-89.3	-42.6	179.1	172.2	-124.2	0	0	0	111.9	L486 L489 Q490 S514 V516 Y538 N539 E565	L486-F567 HydrophobicContact CB-CE1 4.38Å; L486-F567 HydrophobicContact CD2-CE1 4.21Å; L486-F567 HydrophobicContact CD2-CZ 4.36Å; L489-F567 HydrophobicContact CB-CZ 4.39Å; Q490-F567 HydrophobicContact CB-CE1 4.39Å; Q490-F567 HydrophobicContact CB-CE2 4.14Å; Q490-F567 HydrophobicContact CB-CZ 3.91Å; Q490-F567 HydrophobicContact CG-CE2 4.47Å; Q490-F567 HydrophobicContact CG-CZ 4.49Å; S514-F567 VanDerWaalsContact O-CD2 3.25Å; S514-F567 WeakPolarHBondContact O-CD2 3.5Å; S514-F567 WeakPolarHBondContact O-CE2 3.44Å; V516-F567 HydrophobicContact CG2-CE2 3.76Å; V516-F567 HydrophobicContact CG2-CZ 3.76Å; V516-F567 PolarHBondContact N-O 3.38Å; Y538-F567 AromaticContact CD1-CD1 3.59Å; Y538-F567 HydrophobicContact CD1-CD1 3.59Å; Y538-F567 AromaticContact CD1-CE1 3.89Å; Y538-F567 HydrophobicContact CD1-CE1 3.89Å; Y538-F567 HydrophobicContact CE1-CD1 4.06Å; Y538-F567 AromaticContact CE1-CE1 3.91Å; Y538-F567 HydrophobicContact CE1-CE1 3.91Å; Y538-F567 HydrophobicContact CG-CD1 4.13Å; Y538-F567 HydrophobicContact CG-CE1 4.46Å; N539-F567 PolarHBondContact O-N 3.04Å; E565-F567 PolarHBondContact O-N 3.17Å
568	L	93.8	Very high	85.2	Confident	3 Å²	3	42 Å²	42	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.1	-177.8	-57.7	-179.4	0	0	0	111.4	L486 V516 I518 A533 Y538 N539 Y540 C541	L486-L568 HydrophobicContact CD1-CD1 4.38Å; L486-L568 HydrophobicContact CD1-CD2 4.42Å; L486-L568 HydrophobicContact CD2-CD2 3.86Å; V516-L568 HydrophobicContact CB-CD2 3.85Å; V516-L568 HydrophobicContact CG1-CD2 4.37Å; V516-L568 HydrophobicContact CG2-CD2 4.43Å; V516-L568 CarbonylContact O-C 3.6Å; V516-L568 WeakPolarHBondContact O-CA 3Å; I518-L568 HydrophobicContact CD1-CD2 4.3Å; A533-L568 HydrophobicContact CB-CD1 4.16Å; Y538-L568 HydrophobicContact CD2-CD1 4.19Å; Y538-L568 HydrophobicContact CG-CD1 4.14Å; N539-L568 PolarHBondContact O-N 3.35Å; N539-L568 VanDerWaalsContact O-N 3.13Å; Y540-L568 CarbonylContact C-O 3.6Å; Y540-L568 WeakPolarHBondContact CA-O 3.49Å; C541-L568 PolarHBondContact N-O 3.25Å
569	F	94.6	Very high	83.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114	162	-153.8	-41.2	0	0	0	108.3	V516 L517 I518 C541 L543 I556 F559 L571 L582	V516-F569 PolarHBondContact O-N 3.45Å; L517-F569 CarbonylContact C-O 3.57Å; L517-F569 WeakPolarHBondContact CA-O 3.5Å; L517-F569 HydrophobicContact CD2-CB 3.57Å; L517-F569 HydrophobicContact CD2-CG 4.37Å; I518-F569 PolarHBondContact N-O 3.16Å; C541-F569 HydrophobicContact CB-CD1 4.01Å; C541-F569 HydrophobicContact CB-CD2 4.01Å; C541-F569 HydrophobicContact CB-CE1 4.01Å; C541-F569 HydrophobicContact CB-CE2 4Å; C541-F569 HydrophobicContact CB-CG 4Å; C541-F569 HydrophobicContact CB-CZ 4Å; C541-F569 CarbonylContact O-C 3.11Å; C541-F569 WeakPolarHBondContact O-CA 3.27Å; L543-F569 HydrophobicContact CB-CE1 3.62Å; L543-F569 HydrophobicContact CB-CZ 4.24Å; L543-F569 HydrophobicContact CD1-CE1 4.34Å; L543-F569 HydrophobicContact CD1-CZ 4.26Å; I556-F569 HydrophobicContact CG1-CE2 4.46Å; I556-F569 HydrophobicContact CG1-CZ 4.32Å; F559-F569 HydrophobicContact CB-CD2 3.68Å; F559-F569 HydrophobicContact CB-CE2 3.82Å; F559-F569 AromaticContact CD1-CD2 3.84Å; F559-F569 HydrophobicContact CD1-CD2 3.84Å; F559-F569 HydrophobicContact CD2-CB 3.98Å; F559-F569 AromaticContact CD2-CD2 3.64Å; F559-F569 HydrophobicContact CD2-CD2 3.64Å; F559-F569 HydrophobicContact CD2-CG 4.25Å; F559-F569 HydrophobicContact CE1-CD2 4.34Å; F559-F569 HydrophobicContact CE2-CB 3.73Å; F559-F569 HydrophobicContact CE2-CD2 4.18Å; F559-F569 HydrophobicContact CE2-CG 4.46Å; F559-F569 AromaticContact CG-CD2 3.44Å; F559-F569 HydrophobicContact CG-CD2 3.44Å; F559-F569 VanDerWaalsContact CG-CD2 3.44Å; F559-F569 HydrophobicContact CG-CE2 4.1Å; F559-F569 HydrophobicContact CG-CG 4.44Å; F559-F569 HydrophobicContact CZ-CB 4.07Å; F559-F569 HydrophobicContact CZ-CD2 4.48Å; F569-L571 HydrophobicContact CB-CD1 4.08Å; F569-L571 HydrophobicContact CD1-CD1 3.48Å; F569-L571 VanDerWaalsContact CD1-CD1 3.48Å; F569-L571 HydrophobicContact CD1-CD2 4.17Å; F569-L571 HydrophobicContact CD1-CG 3.62Å; F569-L571 HydrophobicContact CE1-CD1 4.18Å; F569-L571 HydrophobicContact CE1-CD2 4.03Å; F569-L571 HydrophobicContact CE1-CG 3.86Å; F569-L571 HydrophobicContact CG-CD1 3.92Å; F569-L571 WeakPolarHBondContact O-CD1 3.37Å; F569-L582 HydrophobicContact CD2-CD1 4.04Å; F569-L582 HydrophobicContact CD2-CD2 3.65Å; F569-L582 HydrophobicContact CE2-CD1 4.3Å; F569-L582 HydrophobicContact CE2-CD2 3.56Å; F569-L582 HydrophobicContact CG-CD1 4.33Å; F569-L582 HydrophobicContact CZ-CD2 4.5Å
570	M	94.9	Very high	83.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.4	177.5	-67.1	-175.7	-73.7	0	0	110.2	I518 L526 L529 E530 Y540 C541 R542 L543	I518-M570 WeakPolarHBondContact O-CA 3.36Å; L526-M570 HydrophobicContact CD2-CB 4.25Å; L529-M570 HydrophobicContact CB-SD 3.51Å; L529-M570 VanDerWaalsContact CB-SD 3.51Å; E530-M570 HydrophobicContact CB-CE 3.96Å; E530-M570 HydrophobicContact CG-CE 4.43Å; Y540-M570 HydrophobicContact CD1-CE 4.36Å; Y540-M570 HydrophobicContact CD2-CE 3.17Å; Y540-M570 HydrophobicContact CE2-CE 3.66Å; Y540-M570 HydrophobicContact CG-CE 3.6Å; C541-M570 PolarHBondContact O-N 2.77Å; R542-M570 CarbonylContact C-O 3.59Å; R542-M570 WeakPolarHBondContact CA-O 3.49Å; L543-M570 PolarHBondContact N-O 3.05Å
571	L	93.9	Very high	83	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.4	-178.3	-59.7	104.2	0	0	0	111.3	L517 I518 F519 S520 L543 F569 I580 L582	L517-L571 HydrophobicContact CB-CD1 4.48Å; L517-L571 HydrophobicContact CD2-CD1 4.37Å; I518-L571 PolarHBondContact O-N 3.15Å; F519-L571 VanDerWaalsContact CA-O 3.3Å; F519-L571 WeakPolarHBondContact CA-O 3.47Å; F519-L571 HydrophobicContact CD1-CB 3.72Å; F519-L571 HydrophobicContact CE1-CB 3.66Å; F519-L571 HydrophobicContact CE1-CD1 4.04Å; F519-L571 HydrophobicContact CE1-CD2 4.3Å; F519-L571 HydrophobicContact CE1-CG 4.23Å; F519-L571 HydrophobicContact CZ-CD1 4.16Å; S520-L571 PolarHBondContact N-O 3.03Å; S520-L571 VanDerWaalsContact N-O 3.11Å; L543-L571 HydrophobicContact CB-CD2 4.18Å; L543-L571 HydrophobicContact CB-CG 4.35Å; L543-L571 HydrophobicContact CD1-CD2 4.15Å; L543-L571 HydrophobicContact CD2-CD2 4.47Å; L543-L571 WeakPolarHBondContact O-CA 3.35Å; F569-L571 HydrophobicContact CB-CD1 4.08Å; F569-L571 HydrophobicContact CD1-CD1 3.48Å; F569-L571 VanDerWaalsContact CD1-CD1 3.48Å; F569-L571 HydrophobicContact CD1-CD2 4.17Å; F569-L571 HydrophobicContact CD1-CG 3.62Å; F569-L571 HydrophobicContact CE1-CD1 4.18Å; F569-L571 HydrophobicContact CE1-CD2 4.03Å; F569-L571 HydrophobicContact CE1-CG 3.86Å; F569-L571 HydrophobicContact CG-CD1 3.92Å; F569-L571 WeakPolarHBondContact O-CD1 3.37Å; L571-I580 HydrophobicContact CD2-CD1 3.25Å; L571-L582 HydrophobicContact CD1-CD1 4.05Å; L571-L582 HydrophobicContact CD2-CD1 4.07Å
572	T	92.8	Very high	82.9	Confident	16 Å²	16	38.5 Å²	38.5	10%	0.098	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	138.9	160.3	61.4	0	0	0	0	109.2	S520 L526 L543 D544 R574 A575 G576	S520-T572 CarbonylContact O-C 3.53Å; S520-T572 WeakPolarHBondContact O-CA 3.41Å; L526-T572 HydrophobicContact CD1-CG2 3.56Å; L526-T572 HydrophobicContact CG-CG2 4.47Å; L543-T572 PolarHBondContact O-N 2.79Å; L543-T572 VanDerWaalsContact O-N 3.1Å; D544-T572 HydrophobicContact CB-CG2 3.79Å; T572-R574 PolarHBondContact O-N 3.37Å; T572-R574 VanDerWaalsContact O-N 3.15Å; T572-A575 PolarHBondContact O-N 3.37Å; T572-A575 VanDerWaalsContact O-N 3.14Å; T572-A575 WeakPolarHBondContact OG1-CB 3.5Å; T572-A575 PolarHBondContact OG1-N 3.32Å; T572-G576 PolarHBondContact O-N 3.38Å
573	T	86.5	Confident	82.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.4	-40	-177.3	-50.5	0	0	0	0	111.9	S520 Q521 G577 M599 A603	S520-T573 PolarHBondContact O-N 2.94Å; S520-T573 PolarHBondContact O-OG1 3.25Å; Q521-T573 PolarHBondContact NE2-OG1 3.12Å; T573-G577 PolarHBondContact O-N 3.16Å; T573-M599 HydrophobicContact CG2-CB 4.34Å; T573-A603 HydrophobicContact CG2-CB 4.13Å
574	R	80	Confident	83	Confident	171 Å²	171	32.6 Å²	32.6	65%	0.645	17%	0.168	S	C	*	.	H	α-helix	trans	-69.6	-45.2	178.2	-66.2	-172.7	179.1	-166.6	-0.5	113.3	T572 G577 M599	T572-R574 PolarHBondContact O-N 3.37Å; T572-R574 VanDerWaalsContact O-N 3.15Å; R574-G577 PolarHBondContact O-N 3.09Å; R574-M599 HydrophobicContact CG-CE 4.4Å
575	A	78.7	Confident	83.2	Confident	5 Å²	5	32.3 Å²	32.3	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-70.9	-35.3	179.5	0	0	0	0	0	111.7	L543 T572 G577 L578	L543-A575 HydrophobicContact CD2-CB 3.44Å; L543-A575 VanDerWaalsContact CD2-CB 3.44Å; T572-A575 PolarHBondContact O-N 3.37Å; T572-A575 VanDerWaalsContact O-N 3.14Å; T572-A575 WeakPolarHBondContact OG1-CB 3.5Å; T572-A575 PolarHBondContact OG1-N 3.32Å; A575-G577 VanDerWaalsContact C-N 3.27Å; A575-G577 PolarHBondContact O-N 3.08Å; A575-L578 WeakPolarHBondContact O-CB 3.48Å; A575-L578 WeakPolarHBondContact O-CG 3.44Å; A575-L578 PolarHBondContact O-N 3.19Å
576	G	70.3	Confident	83.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-26.9	172.9	0	0	0	0	0	113.8	T572 L578 R606	T572-G576 PolarHBondContact O-N 3.38Å; G576-L578 PolarHBondContact O-N 2.82Å; G576-R606 VanDerWaalsContact O-CD 3.27Å; G576-R606 WeakPolarHBondContact O-CD 3.35Å; G576-R606 WeakPolarHBondContact O-CG 3.14Å
577	G	65.4	Low	83.5	Confident	5 Å²	5	22.2 Å²	22.2	5%	0.052	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.9	173.2	0	0	0	0	0	114.7	T573 R574 A575 G579 Q602	T573-G577 PolarHBondContact O-N 3.16Å; R574-G577 PolarHBondContact O-N 3.09Å; A575-G577 VanDerWaalsContact C-N 3.27Å; A575-G577 PolarHBondContact O-N 3.08Å; G577-G579 PolarHBondContact O-N 2.65Å; G577-Q602 PolarHBondContact O-NE2 2.86Å
578	L	66.1	Low	83.7	Confident	81 Å²	81	22 Å²	22	42%	0.424	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	22.5	-170	-61.6	175.2	0	0	0	115.9	S218 A575 G576	S218-L578 WeakPolarHBondContact CB-O 3.47Å; S218-L578 PolarHBondContact OG-O 3.13Å; A575-L578 WeakPolarHBondContact O-CB 3.48Å; A575-L578 WeakPolarHBondContact O-CG 3.44Å; A575-L578 PolarHBondContact O-N 3.19Å; G576-L578 PolarHBondContact O-N 2.82Å
579	G	63.1	Low	83.7	Confident	34 Å²	34	21.9 Å²	21.9	35%	0.351	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	13.4	171.3	0	0	0	0	0	116.3	G577 R606	G577-G579 PolarHBondContact O-N 2.65Å; G579-R606 VanDerWaalsContact CA-NH1 3.29Å
580	I	77.1	Confident	83.7	Confident	16 Å²	16	21.9 Å²	21.9	8%	0.082	12%	0.118	C	C	.	.			trans	-71.4	160.9	179.7	63.8	176.3	0	0	0	112.9	L543 I556 L571 L582 R606 R609	L543-I580 HydrophobicContact CD1-CD1 4.14Å; L543-I580 HydrophobicContact CD1-CG2 4.43Å; I556-I580 HydrophobicContact CD1-CB 4Å; I556-I580 HydrophobicContact CD1-CG2 3.55Å; L571-I580 HydrophobicContact CD2-CD1 3.25Å; I580-L582 HydrophobicContact CD1-CD1 3.73Å; I580-L582 HydrophobicContact CD1-CG 4.23Å; I580-L582 HydrophobicContact CG1-CD1 4.47Å; I580-R606 HydrophobicContact CG1-CG 4.25Å; I580-R606 VanDerWaalsContact O-CD 3.24Å; I580-R606 WeakPolarHBondContact O-CD 3.27Å; I580-R606 PolarHBondContact O-NH1 2.92Å; I580-R606 VanDerWaalsContact O-NH1 3.13Å; I580-R609 PolarHBondContact O-NH1 2.91Å
581	N	80.3	Confident	83.8	Confident	62 Å²	62	21.9 Å²	21.9	33%	0.332	12%	0.118	S	C	.	.			trans	-116.4	117	176.5	-177.2	-2.9	0	0	0	110.3	N560 A583 R609	N560-N581 PolarHBondContact ND2-O 3.16Å; N581-A583 WeakPolarHBondContact OD1-CB 3.42Å; N581-A583 PolarHBondContact OD1-N 2.87Å; N581-A583 VanDerWaalsContact OD1-N 3.12Å; N581-R609 WeakPolarHBondContact OD1-CD 3.46Å
582	L	85.1	Confident	83.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.			trans	-129.7	44	177.2	-62.2	173.4	0	0	0	110.6	L517 F559 F569 L571 I580 T584 A585 R606	L517-L582 HydrophobicContact CD1-CB 4.06Å; L517-L582 HydrophobicContact CD1-CD1 3.98Å; L517-L582 HydrophobicContact CD2-CB 4.29Å; L517-L582 HydrophobicContact CD2-CD1 3.78Å; F559-L582 HydrophobicContact CD1-CD2 3.82Å; F559-L582 HydrophobicContact CE1-CD2 4.36Å; F569-L582 HydrophobicContact CD2-CD1 4.04Å; F569-L582 HydrophobicContact CD2-CD2 3.65Å; F569-L582 HydrophobicContact CE2-CD1 4.3Å; F569-L582 HydrophobicContact CE2-CD2 3.56Å; F569-L582 HydrophobicContact CG-CD1 4.33Å; F569-L582 HydrophobicContact CZ-CD2 4.5Å; L571-L582 HydrophobicContact CD1-CD1 4.05Å; L571-L582 HydrophobicContact CD2-CD1 4.07Å; I580-L582 HydrophobicContact CD1-CD1 3.73Å; I580-L582 HydrophobicContact CD1-CG 4.23Å; I580-L582 HydrophobicContact CG1-CD1 4.47Å; L582-T584 PolarHBondContact O-N 2.79Å; L582-A585 PolarHBondContact O-N 3.43Å; L582-R606 CarbonylContact C-O 3.57Å; L582-R606 PolarHBondContact N-O 3.2Å; L582-R606 VanDerWaalsContact N-O 3.16Å
583	A	80.6	Confident	83.6	Confident	16 Å²	16	21.5 Å²	21.5	13%	0.132	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.8	-176.7	0	0	0	0	0	114.6	N581 A585 R609 Q612	N581-A583 WeakPolarHBondContact OD1-CB 3.42Å; N581-A583 PolarHBondContact OD1-N 2.87Å; N581-A583 VanDerWaalsContact OD1-N 3.12Å; A583-A585 VanDerWaalsContact C-N 3.28Å; A583-R609 HydrophobicContact CB-CG 3.93Å; A583-Q612 PolarHBondContact O-NE2 3.33Å; A583-Q612 VanDerWaalsContact O-NE2 3.1Å
584	T	87.5	Confident	83.6	Confident	45 Å²	45	21.9 Å²	21.9	28%	0.276	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.8	173.2	57.3	0	0	0	0	113	F559 N560 L582	F559-T584 WeakPolarHBondContact CD1-OG1 3.39Å; F559-T584 WeakPolarHBondContact CE1-OG1 3.32Å; F559-T584 PolarHBondContact O-OG1 3.2Å; N560-T584 HydrophobicContact CB-CG2 4.34Å; N560-T584 PolarHBondContact OD1-OG1 2.94Å; N560-T584 VanDerWaalsContact OD1-OG1 3.1Å; L582-T584 PolarHBondContact O-N 2.79Å
585	A	90.1	Very high	83.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.098	C	C	.	.			trans	-89.3	130.7	177.8	0	0	0	0	0	113.1	R515 L517 F559 L582 A583 A607 Q612	R515-A585 HydrophobicContact CB-CB 4.41Å; L517-A585 HydrophobicContact CD1-CB 3.92Å; L517-A585 HydrophobicContact CD2-CB 3.56Å; L517-A585 HydrophobicContact CG-CB 3.49Å; L517-A585 VanDerWaalsContact CG-CB 3.49Å; F559-A585 HydrophobicContact CE1-CB 3.95Å; F559-A585 HydrophobicContact CZ-CB 4.06Å; L582-A585 PolarHBondContact O-N 3.43Å; A583-A585 VanDerWaalsContact C-N 3.28Å; A585-A607 HydrophobicContact CB-CB 4.37Å; A585-A607 WeakPolarHBondContact O-CB 3.43Å; A585-Q612 VanDerWaalsContact C-NE2 3.25Å; A585-Q612 PolarHBondContact O-NE2 3.08Å
586	D	90.3	Very high	83.5	Confident	8 Å²	8	19.2 Å²	19.2	4%	0.043	11%	0.111	C	C	.	.			trans	-111.1	-7.3	-178.6	62.4	-41.7	0	0	0	113.6	S514 R515 K614 V616 R617	S514-D586 WeakPolarHBondContact CA-OD1 3.35Å; S514-D586 WeakPolarHBondContact CB-OD1 3.49Å; S514-D586 WeakPolarHBondContact CB-OD2 3.43Å; S514-D586 PolarHBondContact OG-OD2 2.99Å; R515-D586 PolarHBondContact N-OD1 3.49Å; R515-D586 PolarHBondContact O-N 3.1Å; D586-K614 HydrophobicContact CB-CB 3.76Å; D586-K614 HydrophobicContact CB-CD 3.86Å; D586-K614 HydrophobicContact CB-CG 4.45Å; D586-K614 VanDerWaalsContact OD2-CD 3.29Å; D586-K614 WeakPolarHBondContact OD2-CD 3.33Å; D586-K614 IonicContact OD2-NZ 2.56Å; D586-V616 VanDerWaalsContact O-CA 3.29Å; D586-V616 WeakPolarHBondContact O-CA 3.48Å; D586-R617 PolarHBondContact O-N 3.32Å
587	V	92.1	Very high	84.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.7	174.3	-177.2	0	0	0	0	110.4	L489 R515 V516 L517 I589 R617 F619	L489-V587 HydrophobicContact CD1-CB 4.47Å; L489-V587 HydrophobicContact CD1-CG1 3.84Å; L489-V587 HydrophobicContact CD1-CG2 4.38Å; L489-V587 HydrophobicContact CD2-CG2 4.1Å; R515-V587 PolarHBondContact O-N 3.13Å; V516-V587 WeakPolarHBondContact CA-O 3.44Å; V516-V587 HydrophobicContact CB-CB 4.5Å; V516-V587 HydrophobicContact CG1-CB 4.39Å; V516-V587 HydrophobicContact CG1-CG1 4.16Å; V516-V587 HydrophobicContact CG2-CB 4.15Å; V516-V587 HydrophobicContact CG2-CG1 4.45Å; L517-V587 PolarHBondContact N-O 3.34Å; V587-I589 HydrophobicContact CG1-CG1 4.32Å; V587-R617 CarbonylContact C-O 3.57Å; V587-R617 WeakPolarHBondContact CA-O 3.27Å; V587-F619 HydrophobicContact CG1-CD2 3.73Å; V587-F619 HydrophobicContact CG1-CE2 3.67Å
588	V	94	Very high	84.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126	174	179.7	0	0	0	0	108.7	L517 F519 L590 A607 V616 R617 V618 F619	L517-V588 HydrophobicContact CB-CG2 4.42Å; L517-V588 HydrophobicContact CD1-CG2 4.3Å; L517-V588 CarbonylContact O-C 3.6Å; L517-V588 WeakPolarHBondContact O-CA 3.36Å; F519-V588 HydrophobicContact CD2-CG1 3.66Å; F519-V588 HydrophobicContact CE2-CG1 3.7Å; V588-L590 HydrophobicContact CG1-CD2 4.08Å; V588-A607 HydrophobicContact CG2-CB 3.68Å; V588-V616 HydrophobicContact CG2-CG1 4.14Å; V588-R617 PolarHBondContact N-O 3.47Å; V588-V618 HydrophobicContact CB-CG1 4.32Å; V588-V618 HydrophobicContact CB-CG2 4.23Å; V588-V618 HydrophobicContact CG1-CG1 4.35Å; V588-V618 CarbonylContact O-C 3.5Å; V588-V618 VanDerWaalsContact O-CA 3.26Å; V588-V618 WeakPolarHBondContact O-CA 3.22Å; V588-F619 PolarHBondContact O-N 3.44Å
589	I	95.1	Very high	85.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.7	173.4	-59	178.3	0	0	0	107.5	L482 L485 L486 V516 L517 I518 F519 V587 F619 F621	L482-I589 HydrophobicContact CD1-CD1 3.77Å; L485-I589 HydrophobicContact CD2-CD1 3.96Å; L486-I589 HydrophobicContact CD2-CD1 4.28Å; V516-I589 HydrophobicContact CG1-CD1 3.64Å; V516-I589 HydrophobicContact CG1-CG1 3.92Å; L517-I589 PolarHBondContact O-N 2.82Å; I518-I589 WeakPolarHBondContact CA-O 3.13Å; I518-I589 HydrophobicContact CG1-CB 4.37Å; I518-I589 HydrophobicContact CG1-CD1 4.47Å; F519-I589 PolarHBondContact N-O 3.28Å; V587-I589 HydrophobicContact CG1-CG1 4.32Å; I589-F619 CarbonylContact C-O 3.42Å; I589-F619 WeakPolarHBondContact CA-O 3.16Å; I589-F619 HydrophobicContact CG1-CB 4.41Å; I589-F619 HydrophobicContact CG1-CD2 4.3Å; I589-F621 HydrophobicContact CG2-CD1 4.38Å; I589-F621 HydrophobicContact CG2-CD2 4.33Å; I589-F621 HydrophobicContact CG2-CE1 3.96Å; I589-F621 HydrophobicContact CG2-CE2 3.94Å; I589-F621 HydrophobicContact CG2-CZ 3.73Å
590	L	94.8	Very high	86.3	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	99.3	167.8	-57.7	-176.5	0	0	0	107.3	F519 V588 D592 D600 M604 V618 F619 R620 F621	F519-L590 HydrophobicContact CB-CD2 3.81Å; F519-L590 HydrophobicContact CD2-CD2 3.89Å; F519-L590 HydrophobicContact CG-CD2 4.16Å; V588-L590 HydrophobicContact CG1-CD2 4.08Å; L590-D592 VanDerWaalsContact C-N 3.3Å; L590-D600 HydrophobicContact CD1-CB 4.03Å; L590-M604 HydrophobicContact CD1-CE 3.47Å; L590-M604 VanDerWaalsContact CD1-CE 3.47Å; L590-M604 HydrophobicContact CD1-CG 4.46Å; L590-V618 HydrophobicContact CD1-CG1 4.4Å; L590-V618 HydrophobicContact CG-CG1 4.37Å; L590-F619 PolarHBondContact N-O 3.47Å; L590-R620 HydrophobicContact CB-CG 4.46Å; L590-R620 VanDerWaalsContact CD1-CZ 3.43Å; L590-R620 VanDerWaalsContact CD1-NH2 3.35Å; L590-F621 PolarHBondContact O-N 3.23Å
591	Y	95.1	Very high	86.6	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-65.6	-38.6	-178.3	-164.5	-85.9	0	0	0	110.9	N452 K478 M479 F519 M525 L529 F621	N452-Y591 HydrophobicContact CB-CE1 4.06Å; N452-Y591 PolarHBondContact O-OH 3.13Å; N452-Y591 VanDerWaalsContact O-OH 3.06Å; K478-Y591 HydrophobicContact CB-CE1 4.28Å; K478-Y591 HydrophobicContact CB-CE2 4Å; K478-Y591 WeakPolarHBondContact CB-OH 3.49Å; K478-Y591 HydrophobicContact CD-CD1 4.05Å; K478-Y591 HydrophobicContact CD-CE1 3.65Å; K478-Y591 PolarHBondContact NZ-O 3.21Å; M479-Y591 HydrophobicContact SD-CE2 4.09Å; M479-Y591 PolarHBondContact SD-OH 3.39Å; M479-Y591 VanDerWaalsContact SD-OH 3.4Å; F519-Y591 VanDerWaalsContact O-CB 3.31Å; F519-Y591 WeakPolarHBondContact O-CB 3.21Å; F519-Y591 PolarHBondContact O-N 3.5Å; M525-Y591 HydrophobicContact CE-CE1 3.69Å; M525-Y591 HydrophobicContact CE-CE2 4.06Å; M525-Y591 VanDerWaalsContact CE-OH 3.22Å; M525-Y591 WeakPolarHBondContact CE-OH 3.43Å; M525-Y591 HydrophobicContact CG-CD1 4.02Å; M525-Y591 HydrophobicContact CG-CE1 3.9Å; M525-Y591 HydrophobicContact SD-CD1 4.39Å; M525-Y591 HydrophobicContact SD-CE1 3.67Å; L529-Y591 HydrophobicContact CD1-CD2 4.47Å; L529-Y591 HydrophobicContact CD2-CE2 4.18Å; Y591-F621 HydrophobicContact CD2-CD2 4.24Å; Y591-F621 HydrophobicContact CD2-CE2 4.48Å
592	D	93	Very high	86.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-146.5	151.1	170.7	66.6	-39.2	0	0	0	111.8	R448 N452 S520 Q521 L590	R448-D592 IonicContact NH2-OD2 2.75Å; R448-D592 PolarHBondContact NH2-OD2 2.96Å; N452-D592 PolarHBondContact ND2-OD2 2.78Å; N452-D592 WeakPolarHBondContact OD1-CB 3.41Å; S520-D592 WeakPolarHBondContact CA-OD1 3.29Å; S520-D592 WeakPolarHBondContact CB-OD1 3.36Å; S520-D592 PolarHBondContact OG-OD1 3.39Å; Q521-D592 WeakPolarHBondContact CB-OD2 3.43Å; Q521-D592 PolarHBondContact N-OD1 3.34Å; L590-D592 VanDerWaalsContact C-N 3.3Å
593	S	90.5	Very high	86.5	Confident	8 Å²	8	22.2 Å²	22.2	6%	0.056	11%	0.113	C	C	.	.			trans	-90.6	146.3	-171.3	-55.8	0	0	0	0	112.2	R448 R620 V632	R448-S593 PolarHBondContact NH1-O 2.82Å; R448-S593 PolarHBondContact NH2-O 2.86Å; S593-R620 PolarHBondContact OG-NH1 2.88Å; S593-V632 WeakPolarHBondContact OG-CG2 3.3Å
594	D	87.1	Confident	86.9	Confident	8 Å²	8	21.4 Å²	21.4	4%	0.043	11%	0.107	C	C	.	.			trans	-71.7	157.8	168.2	-153.5	-70.3	0	0	0	110.9	Q521 N596 M599 D600	Q521-D594 VanDerWaalsContact CD-OD2 3.3Å; Q521-D594 VanDerWaalsContact NE2-CG 3.33Å; Q521-D594 PolarHBondContact NE2-OD2 3.23Å; Q521-D594 PolarHBondContact OE1-OD2 3.25Å; D594-N596 PolarHBondContact O-N 2.96Å; D594-N596 PolarHBondContact OD1-N 2.73Å; D594-M599 HydrophobicContact CB-CB 4.01Å; D594-D600 WeakPolarHBondContact CB-OD1 3.43Å; D594-D600 PolarHBondContact N-OD1 3.4Å; D594-D600 PolarHBondContact N-OD2 3.16Å
595	W	79.2	Confident	86.7	Confident	62 Å²	62	20 Å²	20	24%	0.235	10%	0.097	C	C	.	.	S	Bend	trans	-67.1	-28.7	168.2	-63.2	101	0	0	0	112.1	L444 I631 L658 M666	L444-W595 HydrophobicContact CD1-CH2 3.83Å; L444-W595 HydrophobicContact CD2-CH2 3.03Å; L444-W595 HydrophobicContact CD2-CZ2 3.22Å; L444-W595 HydrophobicContact CD2-CZ3 3.86Å; L444-W595 HydrophobicContact CG-CH2 3.38Å; L444-W595 HydrophobicContact CG-CZ2 3.63Å; L444-W595 HydrophobicContact CG-CZ3 4.48Å; W595-I631 HydrophobicContact CE3-CD1 4.38Å; W595-I631 HydrophobicContact CE3-CG1 4.15Å; W595-I631 HydrophobicContact CE3-CG2 4.17Å; W595-I631 HydrophobicContact CH2-CD1 3.24Å; W595-I631 HydrophobicContact CH2-CG1 3.53Å; W595-I631 HydrophobicContact CZ2-CD1 3.74Å; W595-I631 HydrophobicContact CZ2-CG1 4.43Å; W595-I631 HydrophobicContact CZ3-CB 4.41Å; W595-I631 HydrophobicContact CZ3-CD1 3.68Å; W595-I631 HydrophobicContact CZ3-CG1 3.43Å; W595-I631 VanDerWaalsContact CZ3-CG1 3.43Å; W595-I631 HydrophobicContact CZ3-CG2 4.29Å; W595-L658 HydrophobicContact CE3-CD1 3.76Å; W595-L658 HydrophobicContact CE3-CD2 3.63Å; W595-L658 HydrophobicContact CE3-CG 4.38Å; W595-L658 HydrophobicContact CH2-CD2 4.32Å; W595-L658 HydrophobicContact CZ3-CD1 4.4Å; W595-L658 HydrophobicContact CZ3-CD2 3.41Å; W595-L658 VanDerWaalsContact CZ3-CD2 3.41Å; W595-M666 HydrophobicContact CZ3-CE 4.19Å; W595-M666 HydrophobicContact CZ3-SD 3.84Å
596	N	77.4	Confident	86.3	Confident	59 Å²	59	20.6 Å²	20.6	32%	0.316	10%	0.099	S	C	.	.	S	Bend	trans	-102	108.8	176.1	-179	9.5	0	0	0	110.3	D594 Q598 M599	D594-N596 PolarHBondContact O-N 2.96Å; D594-N596 PolarHBondContact OD1-N 2.73Å; N596-Q598 PolarHBondContact O-N 3.23Å; N596-Q598 WeakPolarHBondContact OD1-CB 3.08Å; N596-Q598 PolarHBondContact OD1-N 3.15Å; N596-M599 HydrophobicContact CB-CG 4.05Å; N596-M599 WeakPolarHBondContact O-CB 3.34Å; N596-M599 PolarHBondContact O-N 3.49Å
597	P	81.3	Confident	86.1	Confident	9 Å²	9	20.2 Å²	20.2	6%	0.058	10%	0.097	C	C	.	.	H	α-helix	trans	-57.9	-26.1	-179.3	22.4	-34.2	0	0	0	114.1	M599 D600 L601 A635 K638 L639	P597-M599 PolarHBondContact O-N 3.41Å; P597-D600 PolarHBondContact O-N 3.45Å; P597-L601 PolarHBondContact O-N 2.81Å; P597-A635 HydrophobicContact CB-CB 3.99Å; P597-A635 HydrophobicContact CG-CB 4.27Å; P597-A635 WeakPolarHBondContact CG-O 2.93Å; P597-K638 HydrophobicContact CG-CB 4.32Å; P597-L639 HydrophobicContact CB-CD1 3.67Å; P597-L639 HydrophobicContact CB-CD2 3.73Å; P597-L639 HydrophobicContact CB-CG 3.48Å; P597-L639 VanDerWaalsContact CB-CG 3.48Å; P597-L639 HydrophobicContact CG-CD1 4.44Å; P597-L639 HydrophobicContact CG-CD2 3.85Å; P597-L639 HydrophobicContact CG-CG 3.71Å
598	Q	75.1	Confident	85.7	Confident	87 Å²	87	21 Å²	21	41%	0.407	10%	0.101	S	C	.	.	H	α-helix	trans	-63.4	-31.7	179	-64	172.7	-4.1	0	0	111.8	N596 Q602 D642	N596-Q598 PolarHBondContact O-N 3.23Å; N596-Q598 WeakPolarHBondContact OD1-CB 3.08Å; N596-Q598 PolarHBondContact OD1-N 3.15Å; Q598-Q602 WeakPolarHBondContact O-CB 3.25Å; Q598-Q602 PolarHBondContact O-N 3.28Å; Q598-D642 PolarHBondContact NE2-OD2 3.3Å
599	M	79.4	Confident	84.8	Confident	45 Å²	45	23 Å²	23	22%	0.222	11%	0.109	C	C	.	.	H	α-helix	trans	-66.7	-41.9	176.7	-62.3	-57	-56.9	0	0	111.3	T573 R574 D594 N596 P597 Q602 A603	T573-M599 HydrophobicContact CG2-CB 4.34Å; R574-M599 HydrophobicContact CG-CE 4.4Å; D594-M599 HydrophobicContact CB-CB 4.01Å; N596-M599 HydrophobicContact CB-CG 4.05Å; N596-M599 WeakPolarHBondContact O-CB 3.34Å; N596-M599 PolarHBondContact O-N 3.49Å; P597-M599 PolarHBondContact O-N 3.41Å; M599-Q602 PolarHBondContact O-N 2.67Å; M599-A603 WeakPolarHBondContact O-CB 3.48Å; M599-A603 PolarHBondContact O-N 3.3Å
600	D	87.3	Confident	83.6	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-68	-42.2	177.8	-69.7	-7.6	0	0	0	111.2	L590 D594 P597 Q602 A603 M604 R620	L590-D600 HydrophobicContact CD1-CB 4.03Å; D594-D600 WeakPolarHBondContact CB-OD1 3.43Å; D594-D600 PolarHBondContact N-OD1 3.4Å; D594-D600 PolarHBondContact N-OD2 3.16Å; P597-D600 PolarHBondContact O-N 3.45Å; D600-Q602 VanDerWaalsContact C-N 3.31Å; D600-Q602 PolarHBondContact O-N 3.17Å; D600-A603 WeakPolarHBondContact O-CB 3.24Å; D600-A603 PolarHBondContact O-N 2.65Å; D600-M604 WeakPolarHBondContact O-CG 3.33Å; D600-M604 PolarHBondContact O-N 3.08Å; D600-R620 IonicContact OD2-CZ 3.34Å; D600-R620 IonicContact OD2-NH1 2.74Å; D600-R620 PolarHBondContact OD2-NH1 2.94Å; D600-R620 IonicContact OD2-NH2 3.14Å
601	L	83.7	Confident	82.7	Confident	52 Å²	52	27.9 Å²	27.9	27%	0.272	15%	0.148	S	C	.	.	H	α-helix	trans	-58.2	-45.1	173.7	-73.2	175.4	0	0	0	111.4	P597 A603 M604 D605 L639	P597-L601 PolarHBondContact O-N 2.81Å; L601-A603 VanDerWaalsContact C-N 3.28Å; L601-A603 PolarHBondContact O-N 2.78Å; L601-M604 HydrophobicContact CD2-SD 4.39Å; L601-M604 PolarHBondContact O-N 3.31Å; L601-D605 WeakPolarHBondContact O-CB 3.4Å; L601-D605 PolarHBondContact O-N 2.8Å; L601-L639 HydrophobicContact CD1-CD1 4.19Å; L601-L639 HydrophobicContact CD1-CD2 3.5Å
602	Q	79.2	Confident	81.9	Confident	66 Å²	66	28.7 Å²	28.7	31%	0.308	15%	0.151	S	C	.	.	H	α-helix	trans	-63	-35.3	177.7	-170.9	177.7	21.9	0	0	112.4	G577 Q598 M599 D600 R606	G577-Q602 PolarHBondContact O-NE2 2.86Å; Q598-Q602 WeakPolarHBondContact O-CB 3.25Å; Q598-Q602 PolarHBondContact O-N 3.28Å; M599-Q602 PolarHBondContact O-N 2.67Å; D600-Q602 VanDerWaalsContact C-N 3.31Å; D600-Q602 PolarHBondContact O-N 3.17Å; Q602-R606 PolarHBondContact O-NE 3.37Å
603	A	84.9	Confident	81.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.8	-47	175.3	0	0	0	0	0	112	F519 T573 M599 D600 L601 D605 R606	F519-A603 HydrophobicContact CD1-CB 3.93Å; F519-A603 HydrophobicContact CD2-CB 4.2Å; F519-A603 HydrophobicContact CE1-CB 3.8Å; F519-A603 HydrophobicContact CE2-CB 4.08Å; F519-A603 HydrophobicContact CG-CB 4.12Å; F519-A603 HydrophobicContact CZ-CB 3.87Å; F519-A603 WeakPolarHBondContact CZ-O 3.5Å; T573-A603 HydrophobicContact CG2-CB 4.13Å; M599-A603 WeakPolarHBondContact O-CB 3.48Å; M599-A603 PolarHBondContact O-N 3.3Å; D600-A603 WeakPolarHBondContact O-CB 3.24Å; D600-A603 PolarHBondContact O-N 2.65Å; L601-A603 VanDerWaalsContact C-N 3.28Å; L601-A603 PolarHBondContact O-N 2.78Å; A603-D605 VanDerWaalsContact C-N 3.28Å; A603-D605 PolarHBondContact O-N 3.06Å; A603-R606 VanDerWaalsContact O-CB 3.25Å; A603-R606 WeakPolarHBondContact O-CB 3.4Å; A603-R606 VanDerWaalsContact O-CG 3.29Å; A603-R606 WeakPolarHBondContact O-CG 3.48Å; A603-R606 PolarHBondContact O-N 3.42Å; A603-R606 VanDerWaalsContact O-N 3.15Å
604	M	88.3	Confident	81	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58	-42.2	175.4	-66	175.2	-160.6	0	0	112	E405 L590 D600 L601 R606 A607 H608 V618	E405-M604 WeakPolarHBondContact OE1-CE 3.5Å; L590-M604 HydrophobicContact CD1-CE 3.47Å; L590-M604 VanDerWaalsContact CD1-CE 3.47Å; L590-M604 HydrophobicContact CD1-CG 4.46Å; D600-M604 WeakPolarHBondContact O-CG 3.33Å; D600-M604 PolarHBondContact O-N 3.08Å; L601-M604 HydrophobicContact CD2-SD 4.39Å; L601-M604 PolarHBondContact O-N 3.31Å; M604-R606 PolarHBondContact O-N 3.49Å; M604-A607 PolarHBondContact O-N 2.62Å; M604-H608 PolarHBondContact O-N 2.93Å; M604-V618 HydrophobicContact CB-CG2 4.41Å; M604-V618 HydrophobicContact CE-CG1 3.9Å; M604-V618 HydrophobicContact CG-CG1 3.86Å; M604-V618 HydrophobicContact CG-CG2 4.06Å; M604-V618 HydrophobicContact SD-CB 4.47Å; M604-V618 HydrophobicContact SD-CG1 3.91Å; M604-V618 HydrophobicContact SD-CG2 4.09Å
605	D	82.2	Confident	80.9	Confident	14 Å²	14	44.7 Å²	44.7	8%	0.075	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-20.4	-176.4	-68.1	-17.1	0	0	0	111.6	V183 A184 K403 L601 A603 A607 H608	V183-D605 HydrophobicContact CG1-CB 4.33Å; V183-D605 VanDerWaalsContact CG1-OD2 3.32Å; V183-D605 WeakPolarHBondContact CG1-OD2 3.26Å; A184-D605 HydrophobicContact CB-CB 3.19Å; A184-D605 WeakPolarHBondContact CB-O 3.42Å; K403-D605 IonicContact NZ-OD1 2.77Å; K403-D605 PolarHBondContact NZ-OD1 3.46Å; L601-D605 WeakPolarHBondContact O-CB 3.4Å; L601-D605 PolarHBondContact O-N 2.8Å; A603-D605 VanDerWaalsContact C-N 3.28Å; A603-D605 PolarHBondContact O-N 3.06Å; D605-A607 PolarHBondContact O-N 2.81Å; D605-A607 VanDerWaalsContact O-N 3.12Å; D605-H608 CarbonylContact O-C 3.25Å; D605-H608 PolarHBondContact O-N 2.85Å; D605-H608 VanDerWaalsContact O-N 3.16Å
606	R	82.6	Confident	81.4	Confident	13 Å²	13	41.8 Å²	41.8	5%	0.049	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.2	173.9	-60.6	-55.6	109.9	-174.4	7.4	112.7	F519 G576 G579 I580 L582 Q602 A603 M604	F519-R606 HydrophobicContact CZ-CG 4.49Å; G576-R606 VanDerWaalsContact O-CD 3.27Å; G576-R606 WeakPolarHBondContact O-CD 3.35Å; G576-R606 WeakPolarHBondContact O-CG 3.14Å; G579-R606 VanDerWaalsContact CA-NH1 3.29Å; I580-R606 HydrophobicContact CG1-CG 4.25Å; I580-R606 VanDerWaalsContact O-CD 3.24Å; I580-R606 WeakPolarHBondContact O-CD 3.27Å; I580-R606 PolarHBondContact O-NH1 2.92Å; I580-R606 VanDerWaalsContact O-NH1 3.13Å; L582-R606 CarbonylContact C-O 3.57Å; L582-R606 PolarHBondContact N-O 3.2Å; L582-R606 VanDerWaalsContact N-O 3.16Å; Q602-R606 PolarHBondContact O-NE 3.37Å; A603-R606 VanDerWaalsContact O-CB 3.25Å; A603-R606 WeakPolarHBondContact O-CB 3.4Å; A603-R606 VanDerWaalsContact O-CG 3.29Å; A603-R606 WeakPolarHBondContact O-CG 3.48Å; A603-R606 PolarHBondContact O-N 3.42Å; A603-R606 VanDerWaalsContact O-N 3.15Å; M604-R606 PolarHBondContact O-N 3.49Å
607	A	85.6	Confident	82.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-44.2	171	0	0	0	0	0	112.4	L517 A585 V588 M604 D605 R609 V616	L517-A607 HydrophobicContact CD1-CB 3.83Å; A585-A607 HydrophobicContact CB-CB 4.37Å; A585-A607 WeakPolarHBondContact O-CB 3.43Å; V588-A607 HydrophobicContact CG2-CB 3.68Å; M604-A607 PolarHBondContact O-N 2.62Å; D605-A607 PolarHBondContact O-N 2.81Å; D605-A607 VanDerWaalsContact O-N 3.12Å; A607-R609 PolarHBondContact O-N 2.98Å; A607-V616 HydrophobicContact CB-CG1 4.3Å
608	H	84.5	Confident	82.6	Confident	17 Å²	17	41.5 Å²	41.5	8%	0.079	21%	0.208	C	C	.	.	S	Bend	trans	-79.2	64.5	-178.7	-168.9	-109.9	0	0	0	113.4	K393 L400 P401 K403 M604 D605 V616	K393-H608 PolarHBondContact NZ-O 3.21Å; L400-H608 WeakPolarHBondContact CD2-CE1 3.37Å; P401-H608 PolarHBondContact O-NE2 3.25Å; K403-H608 HydrophobicContact CD-CB 4.22Å; K403-H608 PolarHBondContact N-NE2 3.46Å; M604-H608 PolarHBondContact O-N 2.93Å; D605-H608 CarbonylContact O-C 3.25Å; D605-H608 PolarHBondContact O-N 2.85Å; D605-H608 VanDerWaalsContact O-N 3.16Å; H608-V616 HydrophobicContact CB-CB 4.27Å; H608-V616 HydrophobicContact CB-CG1 4.4Å; H608-V616 HydrophobicContact CB-CG2 4.05Å
609	R	75.5	Confident	83.5	Confident	43 Å²	43	37.7 Å²	37.7	16%	0.162	19%	0.19	C	C	.	.	S	Bend	trans	-129.9	158.3	-175	110.5	177.2	-79.7	159.8	-3.4	111.7	A184 S185 I580 N581 A583 A607 G611 Q612	A184-R609 PolarHBondContact O-NE 3.05Å; A184-R609 PolarHBondContact O-NH1 3.16Å; A184-R609 PolarHBondContact O-NH2 3.22Å; S185-R609 PolarHBondContact O-NH2 2.83Å; I580-R609 PolarHBondContact O-NH1 2.91Å; N581-R609 WeakPolarHBondContact OD1-CD 3.46Å; A583-R609 HydrophobicContact CB-CG 3.93Å; A607-R609 PolarHBondContact O-N 2.98Å; R609-G611 PolarHBondContact O-N 2.77Å; R609-Q612 WeakPolarHBondContact O-CB 3.36Å; R609-Q612 PolarHBondContact O-N 3.46Å
610	I	70.1	Confident	84.2	Confident	44 Å²	44	36.5 Å²	36.5	23%	0.226	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.2	121	165.4	-61.1	177.7	0	0	0	111.2	S185 E397	S185-I610 VanDerWaalsContact CB-CG1 3.44Å; E397-I610 WeakPolarHBondContact OE1-CG1 3.49Å; E397-I610 WeakPolarHBondContact OE2-CD1 3.35Å; E397-I610 WeakPolarHBondContact OE2-CG1 3.37Å
611	G	75.5	Confident	84.5	Confident	57 Å²	57	36.5 Å²	36.5	59%	0.588	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	111.9	-23.7	-174.2	0	0	0	0	0	112.6	R609 K613	R609-G611 PolarHBondContact O-N 2.77Å; G611-K613 PolarHBondContact O-N 3.36Å
612	Q	78.3	Confident	84.8	Confident	17 Å²	17	34 Å²	34	8%	0.079	17%	0.17	C	C	.	.			trans	-70.1	124.5	171	179.9	53	-84	0	0	110.1	A583 A585 R609 K614 V616	A583-Q612 PolarHBondContact O-NE2 3.33Å; A583-Q612 VanDerWaalsContact O-NE2 3.1Å; A585-Q612 VanDerWaalsContact C-NE2 3.25Å; A585-Q612 PolarHBondContact O-NE2 3.08Å; R609-Q612 WeakPolarHBondContact O-CB 3.36Å; R609-Q612 PolarHBondContact O-N 3.46Å; Q612-K614 VanDerWaalsContact CG-O 3.22Å; Q612-K614 WeakPolarHBondContact CG-O 3.43Å; Q612-V616 HydrophobicContact CG-CG2 3.73Å
613	K	80.3	Confident	85.3	Confident	195 Å²	195	31.1 Å²	31.1	85%	0.848	16%	0.157	S	C	*	.			trans	-99.8	-25.6	180	-61.7	-177.8	-179.3	179.5	0	112.5	G611	G611-K613 PolarHBondContact O-N 3.36Å
614	K	83.6	Confident	85.2	Confident	93 Å²	93	33.5 Å²	33.5	40%	0.404	17%	0.168	S	C	.	.	S	Bend	trans	-90.8	154.8	179.4	-62.4	-177.5	179.2	-179.6	0	110.9	G513 D586 Q612 V616	G513-K614 PolarHBondContact O-NZ 3.06Å; D586-K614 HydrophobicContact CB-CB 3.76Å; D586-K614 HydrophobicContact CB-CD 3.86Å; D586-K614 HydrophobicContact CB-CG 4.45Å; D586-K614 VanDerWaalsContact OD2-CD 3.29Å; D586-K614 WeakPolarHBondContact OD2-CD 3.33Å; D586-K614 IonicContact OD2-NZ 2.56Å; Q612-K614 VanDerWaalsContact CG-O 3.22Å; Q612-K614 WeakPolarHBondContact CG-O 3.43Å; K614-V616 PolarHBondContact O-N 2.5Å
615	T	85.7	Confident	84.8	Confident	65 Å²	65	36 Å²	36	40%	0.399	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-70.7	122.3	172.7	-65	0	0	0	0	109.6	P402 K404 R617	P402-T615 WeakPolarHBondContact O-CG2 3.39Å; K404-T615 HydrophobicContact CG-CG2 4.42Å; T615-R617 PolarHBondContact O-N 3.49Å
616	V	89.1	Confident	85	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-75.5	122.1	179.6	-179.3	0	0	0	0	110.2	K403 K404 D586 V588 A607 H608 Q612 K614 V618	K403-V616 WeakPolarHBondContact CA-O 3.2Å; K403-V616 HydrophobicContact CB-CB 4.32Å; K404-V616 PolarHBondContact N-O 2.81Å; D586-V616 VanDerWaalsContact O-CA 3.29Å; D586-V616 WeakPolarHBondContact O-CA 3.48Å; V588-V616 HydrophobicContact CG2-CG1 4.14Å; A607-V616 HydrophobicContact CB-CG1 4.3Å; H608-V616 HydrophobicContact CB-CB 4.27Å; H608-V616 HydrophobicContact CB-CG1 4.4Å; H608-V616 HydrophobicContact CB-CG2 4.05Å; Q612-V616 HydrophobicContact CG-CG2 3.73Å; K614-V616 PolarHBondContact O-N 2.5Å; V616-V618 HydrophobicContact CG1-CG2 4.2Å
617	R	91.3	Very high	85.2	Confident	63 Å²	63	34.7 Å²	34.7	24%	0.238	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.8	174.4	-65.3	179.4	-71.6	178.7	-2.4	109.3	S514 D586 V587 V588 T615 F619	S514-R617 PolarHBondContact OG-NH2 3.33Å; D586-R617 PolarHBondContact O-N 3.32Å; V587-R617 CarbonylContact C-O 3.57Å; V587-R617 WeakPolarHBondContact CA-O 3.27Å; V588-R617 PolarHBondContact N-O 3.47Å; T615-R617 PolarHBondContact O-N 3.49Å; R617-F619 HydrophobicContact CB-CE2 4.17Å; R617-F619 HydrophobicContact CB-CZ 4.3Å
618	V	93	Very high	85.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.2	178	-173.4	0	0	0	0	108.9	K404 E405 L406 V588 L590 M604 V616	K404-V618 PolarHBondContact O-N 2.74Å; E405-V618 WeakPolarHBondContact CA-O 3.41Å; E405-V618 HydrophobicContact CB-CB 4.34Å; E405-V618 HydrophobicContact CG-CB 4.39Å; E405-V618 HydrophobicContact CG-CG1 4.4Å; L406-V618 PolarHBondContact N-O 2.9Å; V588-V618 HydrophobicContact CB-CG1 4.32Å; V588-V618 HydrophobicContact CB-CG2 4.23Å; V588-V618 HydrophobicContact CG1-CG1 4.35Å; V588-V618 CarbonylContact O-C 3.5Å; V588-V618 VanDerWaalsContact O-CA 3.26Å; V588-V618 WeakPolarHBondContact O-CA 3.22Å; L590-V618 HydrophobicContact CD1-CG1 4.4Å; L590-V618 HydrophobicContact CG-CG1 4.37Å; M604-V618 HydrophobicContact CB-CG2 4.41Å; M604-V618 HydrophobicContact CE-CG1 3.9Å; M604-V618 HydrophobicContact CG-CG1 3.86Å; M604-V618 HydrophobicContact CG-CG2 4.06Å; M604-V618 HydrophobicContact SD-CB 4.47Å; M604-V618 HydrophobicContact SD-CG1 3.91Å; M604-V618 HydrophobicContact SD-CG2 4.09Å; V616-V618 HydrophobicContact CG1-CG2 4.2Å
619	F	93.4	Very high	85.4	Confident	6 Å²	6	36 Å²	36	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.2	174.8	-59.8	-71.3	0	0	0	109.3	L406 I408 L485 L489 V587 V588 I589 L590 R617 F621 L691	L406-F619 HydrophobicContact CB-CD1 4.15Å; L406-F619 HydrophobicContact CD1-CD1 4.2Å; L406-F619 HydrophobicContact CD1-CE1 3.73Å; L406-F619 WeakPolarHBondContact O-CA 3.4Å; I408-F619 HydrophobicContact CD1-CB 4.09Å; I408-F619 HydrophobicContact CD1-CD1 3.64Å; I408-F619 HydrophobicContact CD1-CE1 4.44Å; I408-F619 HydrophobicContact CD1-CG 4.18Å; I408-F619 HydrophobicContact CG1-CD1 4.36Å; L485-F619 HydrophobicContact CD1-CE2 4.5Å; L485-F619 HydrophobicContact CD1-CZ 4.46Å; L485-F619 HydrophobicContact CD2-CD2 4.08Å; L485-F619 HydrophobicContact CD2-CE2 4.39Å; L485-F619 HydrophobicContact CD2-CG 4.31Å; L489-F619 HydrophobicContact CD2-CE2 4.49Å; V587-F619 HydrophobicContact CG1-CD2 3.73Å; V587-F619 HydrophobicContact CG1-CE2 3.67Å; V588-F619 PolarHBondContact O-N 3.44Å; I589-F619 CarbonylContact C-O 3.42Å; I589-F619 WeakPolarHBondContact CA-O 3.16Å; I589-F619 HydrophobicContact CG1-CB 4.41Å; I589-F619 HydrophobicContact CG1-CD2 4.3Å; L590-F619 PolarHBondContact N-O 3.47Å; R617-F619 HydrophobicContact CB-CE2 4.17Å; R617-F619 HydrophobicContact CB-CZ 4.3Å; F619-F621 HydrophobicContact CB-CE1 4.11Å; F619-L691 HydrophobicContact CD1-CD2 4.22Å; F619-L691 HydrophobicContact CE1-CD2 3.75Å
620	R	94	Very high	85.8	Confident	20 Å²	20	36.6 Å²	36.6	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.3	175.4	-178.3	-177.6	-61.7	-84	2.6	109.3	E405 L406 I408 L590 S593 D600 I622	E405-R620 IonicContact OE1-CZ 2.64Å; E405-R620 IonicContact OE1-NE 2.75Å; E405-R620 PolarHBondContact OE1-NE 3.48Å; E405-R620 IonicContact OE1-NH2 3.8Å; E405-R620 PolarHBondContact OE1-NH2 3.11Å; L406-R620 PolarHBondContact O-N 2.75Å; I408-R620 PolarHBondContact N-O 2.94Å; L590-R620 HydrophobicContact CB-CG 4.46Å; L590-R620 VanDerWaalsContact CD1-CZ 3.43Å; L590-R620 VanDerWaalsContact CD1-NH2 3.35Å; S593-R620 PolarHBondContact OG-NH1 2.88Å; D600-R620 IonicContact OD2-CZ 3.34Å; D600-R620 IonicContact OD2-NH1 2.74Å; D600-R620 PolarHBondContact OD2-NH1 2.94Å; D600-R620 IonicContact OD2-NH2 3.14Å; R620-I622 HydrophobicContact CG-CD1 4.42Å; R620-I622 HydrophobicContact CG-CG1 4.11Å
621	F	93.7	Very high	86.5	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.1	178.9	-69	2.2	0	0	0	109.9	I408 I410 K478 L481 L482 L485 I589 L590 Y591 F619	I408-F621 HydrophobicContact CB-CD1 4.32Å; I408-F621 HydrophobicContact CD1-CD1 4.33Å; I408-F621 HydrophobicContact CD1-CE1 3.98Å; I410-F621 HydrophobicContact CD1-CB 3.74Å; I410-F621 HydrophobicContact CD1-CD1 4.35Å; I410-F621 HydrophobicContact CD1-CD2 4.17Å; I410-F621 HydrophobicContact CD1-CG 3.84Å; K478-F621 HydrophobicContact CB-CD2 4.15Å; K478-F621 HydrophobicContact CD-CB 4.24Å; K478-F621 HydrophobicContact CD-CD2 4.5Å; K478-F621 HydrophobicContact CG-CB 4.4Å; K478-F621 HydrophobicContact CG-CD2 4.31Å; L481-F621 HydrophobicContact CD2-CD1 3.72Å; L481-F621 HydrophobicContact CD2-CD2 4.33Å; L481-F621 HydrophobicContact CD2-CE1 3.42Å; L481-F621 VanDerWaalsContact CD2-CE1 3.42Å; L481-F621 HydrophobicContact CD2-CE2 4.04Å; L481-F621 HydrophobicContact CD2-CG 4.18Å; L481-F621 HydrophobicContact CD2-CZ 3.58Å; L481-F621 HydrophobicContact CG-CE1 4.29Å; L481-F621 HydrophobicContact CG-CZ 4.06Å; L482-F621 HydrophobicContact CB-CE2 4.33Å; L482-F621 HydrophobicContact CD1-CE2 4.27Å; L482-F621 HydrophobicContact CD1-CZ 4.36Å; L485-F621 HydrophobicContact CD2-CE1 4.27Å; L485-F621 HydrophobicContact CD2-CZ 4.11Å; I589-F621 HydrophobicContact CG2-CD1 4.38Å; I589-F621 HydrophobicContact CG2-CD2 4.33Å; I589-F621 HydrophobicContact CG2-CE1 3.96Å; I589-F621 HydrophobicContact CG2-CE2 3.94Å; I589-F621 HydrophobicContact CG2-CZ 3.73Å; L590-F621 PolarHBondContact O-N 3.23Å; Y591-F621 HydrophobicContact CD2-CD2 4.24Å; Y591-F621 HydrophobicContact CD2-CE2 4.48Å; F619-F621 HydrophobicContact CB-CE1 4.11Å
622	I	90.9	Very high	87.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.4	-178.6	-51.7	178.2	0	0	0	108	K407 I408 Y409 I410 R620 E624 E628 E629 V632	K407-I622 HydrophobicContact CB-CD1 3.91Å; K407-I622 HydrophobicContact CD-CD1 4.21Å; K407-I622 HydrophobicContact CG-CD1 4.16Å; I408-I622 PolarHBondContact O-N 3.45Å; Y409-I622 CarbonylContact C-O 3.43Å; Y409-I622 WeakPolarHBondContact CA-O 3.34Å; Y409-I622 HydrophobicContact CD1-CB 4.26Å; Y409-I622 HydrophobicContact CD1-CG2 4.2Å; Y409-I622 HydrophobicContact CE1-CB 4.49Å; Y409-I622 HydrophobicContact CE1-CD1 4.14Å; Y409-I622 HydrophobicContact CE1-CG2 4.22Å; I410-I622 PolarHBondContact N-O 2.95Å; R620-I622 HydrophobicContact CG-CD1 4.42Å; R620-I622 HydrophobicContact CG-CG1 4.11Å; I622-E624 PolarHBondContact O-N 2.93Å; I622-E628 HydrophobicContact CG2-CB 4.42Å; I622-E629 HydrophobicContact CG2-CB 4.18Å; I622-V632 HydrophobicContact CD1-CB 4.09Å; I622-V632 HydrophobicContact CD1-CG1 3.8Å; I622-V632 HydrophobicContact CD1-CG2 3.92Å; I622-V632 HydrophobicContact CG1-CG2 4.1Å
623	T	87.9	Confident	87.4	Confident	6 Å²	6	33.2 Å²	33.2	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	118.4	171.8	-53.7	0	0	0	0	110.8	I410 A412 K478 T626 E628	I410-T623 CarbonylContact O-C 3.59Å; I410-T623 WeakPolarHBondContact O-CA 3.36Å; A412-T623 HydrophobicContact CB-CG2 3.47Å; A412-T623 VanDerWaalsContact CB-CG2 3.47Å; K478-T623 WeakPolarHBondContact CE-OG1 3.39Å; T623-T626 HydrophobicContact CG2-CG2 3.63Å; T623-T626 PolarHBondContact O-OG1 3.39Å; T623-E628 PolarHBondContact N-OE2 2.9Å; T623-E628 VanDerWaalsContact N-OE2 3.11Å; T623-E628 PolarHBondContact OG1-OE2 3.02Å
624	E	83.5	Confident	87.4	Confident	49 Å²	49	25.7 Å²	25.7	23%	0.229	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	145.8	-179.9	-69.4	-171	154.7	0	0	112.1	Y409 I410 I622 T626 K697	Y409-E624 VanDerWaalsContact CB-OE1 3.23Å; Y409-E624 WeakPolarHBondContact CB-OE1 3.36Å; Y409-E624 HydrophobicContact CD1-CG 4.09Å; Y409-E624 HydrophobicContact CG-CG 4.31Å; I410-E624 PolarHBondContact O-N 3.26Å; I622-E624 PolarHBondContact O-N 2.93Å; E624-T626 PolarHBondContact O-N 3.31Å; E624-K697 IonicContact OE1-NZ 2.75Å; E624-K697 PolarHBondContact OE1-NZ 2.63Å
625	N	80.6	Confident	87.3	Confident	52 Å²	52	21.7 Å²	21.7	28%	0.278	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	30.3	177	-55.2	-47.9	0	0	0	113.7	E629 H673	N625-E629 PolarHBondContact N-OE2 3.24Å; N625-E629 VanDerWaalsContact N-OE2 3.12Å; N625-H673 HydrophobicContact CB-CB 4.18Å
626	T	85.8	Confident	87.1	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.006	9%	0.093	C	C	.	.	S	Bend	trans	-127.6	176.5	176.5	71.8	0	0	0	0	111.8	A412 Y418 C451 T623 E624 E628 E629	A412-T626 HydrophobicContact CB-CG2 4.37Å; Y418-T626 HydrophobicContact CE2-CG2 4.09Å; C451-T626 PolarHBondContact SG-OG1 3Å; T623-T626 HydrophobicContact CG2-CG2 3.63Å; T623-T626 PolarHBondContact O-OG1 3.39Å; E624-T626 PolarHBondContact O-N 3.31Å; T626-E628 PolarHBondContact O-N 3.29Å; T626-E628 PolarHBondContact OG1-N 2.87Å; T626-E629 PolarHBondContact O-N 3.33Å
627	V	86.4	Confident	86.5	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-51.8	-33.8	171.8	69.1	0	0	0	0	113.1	Y418 L444 L447 R448 E629 R630 I631 M666	Y418-V627 PolarHBondContact OH-N 3.1Å; L444-V627 HydrophobicContact CD1-CG2 3.47Å; L444-V627 VanDerWaalsContact CD1-CG2 3.47Å; L444-V627 HydrophobicContact CG-CG2 4.35Å; L447-V627 HydrophobicContact CB-CG1 3.88Å; R448-V627 HydrophobicContact CG-CG1 4.28Å; V627-E629 VanDerWaalsContact C-N 3.32Å; V627-E629 PolarHBondContact O-N 3.26Å; V627-R630 PolarHBondContact O-N 2.8Å; V627-I631 HydrophobicContact CG2-CD1 4.24Å; V627-I631 HydrophobicContact CG2-CG1 4.41Å; V627-I631 WeakPolarHBondContact O-CG1 3.27Å; V627-I631 PolarHBondContact O-N 3.39Å; V627-I631 VanDerWaalsContact O-N 3.16Å; V627-M666 HydrophobicContact CG2-CB 4.2Å
628	E	87.4	Confident	85.7	Confident	8 Å²	8	20.6 Å²	20.6	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-61.7	-38.1	-175.5	-71.1	-163.8	149.8	0	0	113.2	C451 K478 I622 T623 T626 R630 I631 V632	C451-E628 VanDerWaalsContact CB-CD 3.49Å; C451-E628 HydrophobicContact CB-CG 3.88Å; K478-E628 VanDerWaalsContact CE-OE2 3.24Å; K478-E628 WeakPolarHBondContact CE-OE2 3.26Å; K478-E628 IonicContact NZ-OE1 3.71Å; K478-E628 PolarHBondContact NZ-OE1 3Å; K478-E628 IonicContact NZ-OE2 3.09Å; K478-E628 PolarHBondContact NZ-OE2 3.11Å; I622-E628 HydrophobicContact CG2-CB 4.42Å; T623-E628 PolarHBondContact N-OE2 2.9Å; T623-E628 VanDerWaalsContact N-OE2 3.11Å; T623-E628 PolarHBondContact OG1-OE2 3.02Å; T626-E628 PolarHBondContact O-N 3.29Å; T626-E628 PolarHBondContact OG1-N 2.87Å; E628-R630 VanDerWaalsContact C-N 3.33Å; E628-R630 PolarHBondContact O-N 3.27Å; E628-I631 WeakPolarHBondContact O-CB 3.32Å; E628-I631 PolarHBondContact O-N 3.31Å; E628-I631 VanDerWaalsContact O-N 3.16Å; E628-V632 WeakPolarHBondContact O-CG2 3.49Å; E628-V632 PolarHBondContact O-N 3.43Å
629	E	86.6	Confident	84.8	Confident	37 Å²	37	22.9 Å²	22.9	17%	0.173	11%	0.107	C	C	.	.	H	α-helix	trans	-59.1	-45.3	178.5	-173.1	170	-163.7	0	0	111.2	Y409 I622 N625 T626 V627 I631 V632 E633 H669	Y409-E629 HydrophobicContact CE1-CG 4.5Å; I622-E629 HydrophobicContact CG2-CB 4.18Å; N625-E629 PolarHBondContact N-OE2 3.24Å; N625-E629 VanDerWaalsContact N-OE2 3.12Å; T626-E629 PolarHBondContact O-N 3.33Å; V627-E629 VanDerWaalsContact C-N 3.32Å; V627-E629 PolarHBondContact O-N 3.26Å; E629-I631 VanDerWaalsContact C-N 3.34Å; E629-I631 PolarHBondContact O-N 3.43Å; E629-V632 PolarHBondContact O-N 3.4Å; E629-E633 WeakPolarHBondContact O-CG 3.32Å; E629-E633 PolarHBondContact O-N 3.28Å; E629-H669 IonicContact OE2-CE1 3.52Å
630	R	83.9	Confident	83.7	Confident	55 Å²	55	27.3 Å²	27.3	21%	0.208	12%	0.123	C	C	.	.	H	α-helix	trans	-68.3	-31.3	176.4	-67	-56.1	-171.5	158.3	4.9	113.7	V627 E628 V632 E633 R634 M666 H669	V627-R630 PolarHBondContact O-N 2.8Å; E628-R630 VanDerWaalsContact C-N 3.33Å; E628-R630 PolarHBondContact O-N 3.27Å; R630-V632 VanDerWaalsContact C-N 3.33Å; R630-E633 WeakPolarHBondContact CD-OE2 3.42Å; R630-E633 IonicContact CZ-OE2 3.88Å; R630-E633 IonicContact NE-OE2 3.6Å; R630-E633 IonicContact NH1-OE2 3.47Å; R630-E633 PolarHBondContact NH1-OE2 3.47Å; R630-R634 WeakPolarHBondContact O-CB 3.38Å; R630-R634 WeakPolarHBondContact O-CG 3.47Å; R630-R634 PolarHBondContact O-N 2.75Å; R630-R634 VanDerWaalsContact O-N 3.11Å; R630-M666 HydrophobicContact CB-CB 4.45Å; R630-M666 HydrophobicContact CB-CG 3.88Å; R630-H669 HydrophobicContact CG-CB 3.61Å; R630-H669 VanDerWaalsContact CG-CG 3.43Å; R630-H669 PolarHBondContact NE-CD2 3.37Å; R630-H669 VanDerWaalsContact NE-CG 3.26Å; R630-H669 PolarHBondContact NE-NE2 3.36Å; R630-H669 PolarHBondContact NH2-CD2 3.1Å; R630-H669 PolarHBondContact NH2-NE2 3.12Å
631	I	86.3	Confident	82.3	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-47.3	173.7	-62.2	174.5	0	0	0	109.1	R448 W595 V627 E628 E629 R634 A635	R448-I631 HydrophobicContact CG-CD1 4.16Å; W595-I631 HydrophobicContact CE3-CD1 4.38Å; W595-I631 HydrophobicContact CE3-CG1 4.15Å; W595-I631 HydrophobicContact CE3-CG2 4.17Å; W595-I631 HydrophobicContact CH2-CD1 3.24Å; W595-I631 HydrophobicContact CH2-CG1 3.53Å; W595-I631 HydrophobicContact CZ2-CD1 3.74Å; W595-I631 HydrophobicContact CZ2-CG1 4.43Å; W595-I631 HydrophobicContact CZ3-CB 4.41Å; W595-I631 HydrophobicContact CZ3-CD1 3.68Å; W595-I631 HydrophobicContact CZ3-CG1 3.43Å; W595-I631 VanDerWaalsContact CZ3-CG1 3.43Å; W595-I631 HydrophobicContact CZ3-CG2 4.29Å; V627-I631 HydrophobicContact CG2-CD1 4.24Å; V627-I631 HydrophobicContact CG2-CG1 4.41Å; V627-I631 WeakPolarHBondContact O-CG1 3.27Å; V627-I631 PolarHBondContact O-N 3.39Å; V627-I631 VanDerWaalsContact O-N 3.16Å; E628-I631 WeakPolarHBondContact O-CB 3.32Å; E628-I631 PolarHBondContact O-N 3.31Å; E628-I631 VanDerWaalsContact O-N 3.16Å; E629-I631 VanDerWaalsContact C-N 3.34Å; E629-I631 PolarHBondContact O-N 3.43Å; I631-R634 PolarHBondContact O-N 3.03Å; I631-A635 VanDerWaalsContact O-CB 3.29Å; I631-A635 WeakPolarHBondContact O-CB 3.37Å; I631-A635 PolarHBondContact O-N 2.98Å
632	V	87.5	Confident	80.7	Confident	6 Å²	6	29.6 Å²	29.6	4%	0.036	14%	0.137	C	C	.	.	H	α-helix	trans	-68.2	-44.1	-178.6	175.7	0	0	0	0	112	K407 S593 I622 E628 E629 R630 R634 A635 E636	K407-V632 HydrophobicContact CD-CG1 4.45Å; K407-V632 VanDerWaalsContact NZ-CG1 3.34Å; S593-V632 WeakPolarHBondContact OG-CG2 3.3Å; I622-V632 HydrophobicContact CD1-CB 4.09Å; I622-V632 HydrophobicContact CD1-CG1 3.8Å; I622-V632 HydrophobicContact CD1-CG2 3.92Å; I622-V632 HydrophobicContact CG1-CG2 4.1Å; E628-V632 WeakPolarHBondContact O-CG2 3.49Å; E628-V632 PolarHBondContact O-N 3.43Å; E629-V632 PolarHBondContact O-N 3.4Å; R630-V632 VanDerWaalsContact C-N 3.33Å; V632-R634 PolarHBondContact O-N 2.97Å; V632-A635 WeakPolarHBondContact O-CB 3.19Å; V632-A635 PolarHBondContact O-N 3.15Å; V632-E636 PolarHBondContact O-N 2.93Å
633	E	83.8	Confident	79.4	Confident	34 Å²	34	32.5 Å²	32.5	16%	0.159	16%	0.155	C	C	.	.	H	α-helix	trans	-56.5	-48.3	175.2	-74.8	-179	169.8	0	0	111.8	E629 R630 A635 E636 I637	E629-E633 WeakPolarHBondContact O-CG 3.32Å; E629-E633 PolarHBondContact O-N 3.28Å; R630-E633 WeakPolarHBondContact CD-OE2 3.42Å; R630-E633 IonicContact CZ-OE2 3.88Å; R630-E633 IonicContact NE-OE2 3.6Å; R630-E633 IonicContact NH1-OE2 3.47Å; R630-E633 PolarHBondContact NH1-OE2 3.47Å; E633-A635 VanDerWaalsContact C-N 3.31Å; E633-A635 PolarHBondContact O-N 3.4Å; E633-E636 PolarHBondContact O-N 2.88Å; E633-I637 WeakPolarHBondContact O-CG1 3.48Å; E633-I637 PolarHBondContact O-N 2.94Å
634	R	80.6	Confident	78.2	Confident	38 Å²	38	33.6 Å²	33.6	14%	0.143	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-37.3	178.2	-77.7	-137.6	-177.1	123.6	14.5	112.5	R630 I631 V632 E636 I637 K638 E662 T665 M666	R630-R634 WeakPolarHBondContact O-CB 3.38Å; R630-R634 WeakPolarHBondContact O-CG 3.47Å; R630-R634 PolarHBondContact O-N 2.75Å; R630-R634 VanDerWaalsContact O-N 3.11Å; I631-R634 PolarHBondContact O-N 3.03Å; V632-R634 PolarHBondContact O-N 2.97Å; R634-E636 VanDerWaalsContact C-N 3.29Å; R634-E636 PolarHBondContact O-N 3.46Å; R634-I637 PolarHBondContact O-N 3.02Å; R634-K638 WeakPolarHBondContact O-CB 3.44Å; R634-K638 VanDerWaalsContact O-CG 3.3Å; R634-K638 WeakPolarHBondContact O-CG 3.42Å; R634-K638 PolarHBondContact O-N 2.97Å; R634-E662 VanDerWaalsContact CZ-CG 3.41Å; R634-E662 IonicContact CZ-OE2 3.12Å; R634-E662 IonicContact NE-OE2 2.76Å; R634-E662 PolarHBondContact NH1-O 3.35Å; R634-E662 IonicContact NH1-OE2 3.14Å; R634-E662 PolarHBondContact NH1-OE2 3.05Å; R634-E662 PolarHBondContact NH2-O 2.84Å; R634-E662 VanDerWaalsContact NH2-O 3.08Å; R634-T665 PolarHBondContact NH2-OG1 2.77Å; R634-M666 HydrophobicContact CB-CE 4.09Å; R634-M666 HydrophobicContact CG-CE 3.72Å
635	A	81.6	Confident	76.9	Confident	9 Å²	9	32.3 Å²	32.3	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-40.8	177	0	0	0	0	0	110.8	P597 I631 V632 E633 K638 L639	P597-A635 HydrophobicContact CB-CB 3.99Å; P597-A635 HydrophobicContact CG-CB 4.27Å; P597-A635 WeakPolarHBondContact CG-O 2.93Å; I631-A635 VanDerWaalsContact O-CB 3.29Å; I631-A635 WeakPolarHBondContact O-CB 3.37Å; I631-A635 PolarHBondContact O-N 2.98Å; V632-A635 WeakPolarHBondContact O-CB 3.19Å; V632-A635 PolarHBondContact O-N 3.15Å; E633-A635 VanDerWaalsContact C-N 3.31Å; E633-A635 PolarHBondContact O-N 3.4Å; A635-K638 PolarHBondContact O-N 2.94Å; A635-L639 WeakPolarHBondContact O-CG 3.44Å; A635-L639 PolarHBondContact O-N 3.4Å
636	E	82	Confident	75.6	Confident	44 Å²	44	34.9 Å²	34.9	21%	0.206	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-42.6	176.3	-76.7	-169.8	151.9	0	0	114.3	K407 V632 E633 R634 K638 L639 R640 L701 L705	K407-E636 WeakPolarHBondContact CE-OE1 3.5Å; K407-E636 IonicContact NZ-OE1 2.67Å; K407-E636 PolarHBondContact NZ-OE1 3.05Å; K407-E636 IonicContact NZ-OE2 3.98Å; K407-E636 PolarHBondContact NZ-OE2 2.82Å; V632-E636 PolarHBondContact O-N 2.93Å; E633-E636 PolarHBondContact O-N 2.88Å; R634-E636 VanDerWaalsContact C-N 3.29Å; R634-E636 PolarHBondContact O-N 3.46Å; E636-K638 PolarHBondContact O-N 3.38Å; E636-L639 PolarHBondContact O-N 2.85Å; E636-L639 VanDerWaalsContact O-N 3.15Å; E636-R640 PolarHBondContact O-N 3.47Å; E636-L701 WeakPolarHBondContact OE2-CD2 3.48Å; E636-L705 HydrophobicContact CB-CD1 3.83Å; E636-L705 HydrophobicContact CG-CD1 4.45Å; E636-L705 WeakPolarHBondContact OE2-CD1 3.32Å
637	I	76.4	Confident	74	Confident	10 Å²	10	42.3 Å²	42.3	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-43.9	173.9	-66.5	168	0	0	0	109.4	E633 R634 L639 R640 L641 L705 L713 F716 L718	E633-I637 WeakPolarHBondContact O-CG1 3.48Å; E633-I637 PolarHBondContact O-N 2.94Å; R634-I637 PolarHBondContact O-N 3.02Å; I637-L639 PolarHBondContact O-N 3.37Å; I637-R640 PolarHBondContact O-N 3.08Å; I637-L641 VanDerWaalsContact O-CB 3.26Å; I637-L641 WeakPolarHBondContact O-CB 3.4Å; I637-L641 PolarHBondContact O-N 3.15Å; I637-L705 HydrophobicContact CG1-CD2 4.05Å; I637-L713 HydrophobicContact CG2-CD2 4.44Å; I637-F716 HydrophobicContact CG2-CE1 4.44Å; I637-L718 HydrophobicContact CD1-CD1 3.44Å; I637-L718 VanDerWaalsContact CD1-CD1 3.44Å; I637-L718 HydrophobicContact CD1-CG 3.95Å
638	K	74.3	Confident	71.9	Confident	50 Å²	50	44.2 Å²	44.2	22%	0.217	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-42.7	176.5	-75.6	179.8	-179.3	-172.8	0	112.5	P597 R634 A635 E636 L641 D642	P597-K638 HydrophobicContact CG-CB 4.32Å; R634-K638 WeakPolarHBondContact O-CB 3.44Å; R634-K638 VanDerWaalsContact O-CG 3.3Å; R634-K638 WeakPolarHBondContact O-CG 3.42Å; R634-K638 PolarHBondContact O-N 2.97Å; A635-K638 PolarHBondContact O-N 2.94Å; E636-K638 PolarHBondContact O-N 3.38Å; K638-L641 PolarHBondContact O-N 3.42Å; K638-D642 WeakPolarHBondContact O-CB 3.39Å; K638-D642 PolarHBondContact O-N 2.87Å
639	L	74	Confident	69.7	Low	48 Å²	48	45.4 Å²	45.4	25%	0.251	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-40.5	175.4	-74.7	176	0	0	0	112.6	P597 L601 A635 E636 I637 D642 T643	P597-L639 HydrophobicContact CB-CD1 3.67Å; P597-L639 HydrophobicContact CB-CD2 3.73Å; P597-L639 HydrophobicContact CB-CG 3.48Å; P597-L639 VanDerWaalsContact CB-CG 3.48Å; P597-L639 HydrophobicContact CG-CD1 4.44Å; P597-L639 HydrophobicContact CG-CD2 3.85Å; P597-L639 HydrophobicContact CG-CG 3.71Å; L601-L639 HydrophobicContact CD1-CD1 4.19Å; L601-L639 HydrophobicContact CD1-CD2 3.5Å; A635-L639 WeakPolarHBondContact O-CG 3.44Å; A635-L639 PolarHBondContact O-N 3.4Å; E636-L639 PolarHBondContact O-N 2.85Å; E636-L639 VanDerWaalsContact O-N 3.15Å; I637-L639 PolarHBondContact O-N 3.37Å; L639-D642 PolarHBondContact O-N 2.85Å; L639-T643 PolarHBondContact O-N 3.16Å; L639-T643 PolarHBondContact O-OG1 3.12Å
640	R	69.8	Low	67.4	Low	99 Å²	99	49.5 Å²	49.5	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-68.2	-43.2	178.6	-168.4	61.8	172.8	-173	-0.9	110.9	E636 I637 T643 V644 L713	E636-R640 PolarHBondContact O-N 3.47Å; I637-R640 PolarHBondContact O-N 3.08Å; R640-T643 WeakPolarHBondContact O-CB 3.3Å; R640-T643 PolarHBondContact O-N 3.26Å; R640-V644 WeakPolarHBondContact O-CG2 3.5Å; R640-V644 PolarHBondContact O-N 3.06Å; R640-L713 HydrophobicContact CG-CD1 4.19Å
641	L	65.7	Low	65.3	Low	31 Å²	31	51.5 Å²	51.5	16%	0.162	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-46.8	174.1	-170.7	147.7	0	0	0	110.6	I637 K638 T643 V644 V645	I637-L641 VanDerWaalsContact O-CB 3.26Å; I637-L641 WeakPolarHBondContact O-CB 3.4Å; I637-L641 PolarHBondContact O-N 3.15Å; K638-L641 PolarHBondContact O-N 3.42Å; L641-T643 VanDerWaalsContact C-N 3.28Å; L641-T643 PolarHBondContact O-N 3.46Å; L641-V644 PolarHBondContact O-N 2.83Å; L641-V645 HydrophobicContact CD2-CG2 3.63Å; L641-V645 HydrophobicContact CG-CG2 4.16Å; L641-V645 WeakPolarHBondContact O-CB 2.82Å; L641-V645 WeakPolarHBondContact O-CG2 3.42Å; L641-V645 PolarHBondContact O-N 3.23Å
642	D	59.8	Low	63.1	Low	39 Å²	39	53 Å²	53	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-55.1	-44.7	173.6	-104.5	9.5	0	0	0	111.1	Q598 K638 L639 V644 V645 I646	Q598-D642 PolarHBondContact NE2-OD2 3.3Å; K638-D642 WeakPolarHBondContact O-CB 3.39Å; K638-D642 PolarHBondContact O-N 2.87Å; L639-D642 PolarHBondContact O-N 2.85Å; D642-V644 PolarHBondContact O-N 3.19Å; D642-V645 PolarHBondContact O-N 2.71Å; D642-I646 VanDerWaalsContact O-CB 3.25Å; D642-I646 WeakPolarHBondContact O-CB 3.34Å; D642-I646 WeakPolarHBondContact O-CD1 3.27Å; D642-I646 WeakPolarHBondContact O-CG1 3.44Å; D642-I646 PolarHBondContact O-N 3.26Å
643	T	63.9	Low	60.9	Low	60 Å²	60	61.2 Å²	61.2	37%	0.368	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-45.2	178.9	-54.1	0	0	0	0	111.8	L639 R640 L641 Q647	L639-T643 PolarHBondContact O-N 3.16Å; L639-T643 PolarHBondContact O-OG1 3.12Å; R640-T643 WeakPolarHBondContact O-CB 3.3Å; R640-T643 PolarHBondContact O-N 3.26Å; L641-T643 VanDerWaalsContact C-N 3.28Å; L641-T643 PolarHBondContact O-N 3.46Å; T643-Q647 WeakPolarHBondContact O-CB 3.44Å; T643-Q647 VanDerWaalsContact O-CG 3.3Å; T643-Q647 WeakPolarHBondContact O-CG 3.26Å; T643-Q647 PolarHBondContact O-N 3.25Å
644	V	61.8	Low	59.1	Low	29 Å²	29	62.1 Å²	62.1	18%	0.176	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-44.4	178.4	173	0	0	0	0	110.9	R640 L641 D642 Q647 Q648	R640-V644 WeakPolarHBondContact O-CG2 3.5Å; R640-V644 PolarHBondContact O-N 3.06Å; L641-V644 PolarHBondContact O-N 2.83Å; D642-V644 PolarHBondContact O-N 3.19Å; V644-Q647 PolarHBondContact O-N 2.97Å; V644-Q648 HydrophobicContact CG1-CG 4.34Å; V644-Q648 WeakPolarHBondContact O-CB 3.28Å; V644-Q648 VanDerWaalsContact O-CG 3.29Å; V644-Q648 WeakPolarHBondContact O-CG 3.41Å; V644-Q648 PolarHBondContact O-N 3.35Å
645	V	56.1	Low	57.4	Low	23 Å²	23	67.2 Å²	67.2	14%	0.139	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-44.3	178.2	167.1	0	0	0	0	110.7	L641 D642 Q648 G649 R650 A652	L641-V645 HydrophobicContact CD2-CG2 3.63Å; L641-V645 HydrophobicContact CG-CG2 4.16Å; L641-V645 WeakPolarHBondContact O-CB 2.82Å; L641-V645 WeakPolarHBondContact O-CG2 3.42Å; L641-V645 PolarHBondContact O-N 3.23Å; D642-V645 PolarHBondContact O-N 2.71Å; V645-Q648 PolarHBondContact O-N 3.3Å; V645-G649 WeakPolarHBondContact O-CA 3.16Å; V645-G649 PolarHBondContact O-N 3.05Å; V645-R650 WeakPolarHBondContact CG1-O 3.38Å; V645-R650 PolarHBondContact O-N 2.92Å; V645-A652 HydrophobicContact CG1-CB 4.12Å; V645-A652 HydrophobicContact CG2-CB 3.94Å
646	I	53.5	Low	56	Low	106 Å²	106	75.7 Å²	75.7	54%	0.544	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-42.7	176.2	-70.2	164.7	0	0	0	111.1	D642 G649	D642-I646 VanDerWaalsContact O-CB 3.25Å; D642-I646 WeakPolarHBondContact O-CB 3.34Å; D642-I646 WeakPolarHBondContact O-CD1 3.27Å; D642-I646 WeakPolarHBondContact O-CG1 3.44Å; D642-I646 PolarHBondContact O-N 3.26Å; I646-G649 PolarHBondContact O-N 2.98Å
647	Q	51.7	Low	54.8	Low	157 Å²	157	76.5 Å²	76.5	73%	0.734	39%	0.391	S	S	*	.	H	α-helix	trans	-69	-38.3	178.4	-76.1	178.4	-0.8	0	0	112.8	T643 V644 G649	T643-Q647 WeakPolarHBondContact O-CB 3.44Å; T643-Q647 VanDerWaalsContact O-CG 3.3Å; T643-Q647 WeakPolarHBondContact O-CG 3.26Å; T643-Q647 PolarHBondContact O-N 3.25Å; V644-Q647 PolarHBondContact O-N 2.97Å; Q647-G649 VanDerWaalsContact C-N 3.27Å
648	Q	42.9	Very low	54.3	Low	39 Å²	39	76.9 Å²	76.9	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-80	-11.4	177.3	-67.3	-175.7	-2.8	0	0	112.6	N377 V644 V645 R650 E710	N377-Q648 PolarHBondContact ND2-O 2.74Å; V644-Q648 HydrophobicContact CG1-CG 4.34Å; V644-Q648 WeakPolarHBondContact O-CB 3.28Å; V644-Q648 VanDerWaalsContact O-CG 3.29Å; V644-Q648 WeakPolarHBondContact O-CG 3.41Å; V644-Q648 PolarHBondContact O-N 3.35Å; V645-Q648 PolarHBondContact O-N 3.3Å; Q648-R650 HydrophobicContact CB-CG 4.19Å; Q648-R650 PolarHBondContact O-N 3.44Å; Q648-R650 VanDerWaalsContact O-N 3.13Å; Q648-E710 PolarHBondContact NE2-OE1 3.48Å; Q648-E710 PolarHBondContact NE2-OE2 3.35Å
649	G	41.3	Very low	54.1	Low	33 Å²	33	75.7 Å²	75.7	34%	0.34	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	11.2	-174.1	0	0	0	0	0	114.6	N377 V645 I646 Q647	N377-G649 VanDerWaalsContact ND2-CA 3.27Å; N377-G649 WeakPolarHBondContact ND2-CA 3.45Å; N377-G649 PolarHBondContact ND2-O 3.47Å; N377-G649 PolarHBondContact OD1-O 2.88Å; V645-G649 WeakPolarHBondContact O-CA 3.16Å; V645-G649 PolarHBondContact O-N 3.05Å; I646-G649 PolarHBondContact O-N 2.98Å; Q647-G649 VanDerWaalsContact C-N 3.27Å
650	R	38.4	Very low	54.1	Low	124 Å²	124	78.8 Å²	78.8	47%	0.468	41%	0.406	S	S	.	.			trans	-77.8	132.5	-177.6	-69.8	-175.6	-177	-173.4	8.7	109.6	V645 Q648 A652	V645-R650 WeakPolarHBondContact CG1-O 3.38Å; V645-R650 PolarHBondContact O-N 2.92Å; Q648-R650 HydrophobicContact CB-CG 4.19Å; Q648-R650 PolarHBondContact O-N 3.44Å; Q648-R650 VanDerWaalsContact O-N 3.13Å; R650-A652 PolarHBondContact O-N 3.07Å; R650-A652 VanDerWaalsContact O-N 3.11Å
651	L	40.3	Very low	54.2	Low	97 Å²	97	76.3 Å²	76.3	51%	0.508	41%	0.412	S	S	.	.			trans	-77.8	90.1	177.6	-63.9	153.2	0	0	0	109.4	N321	N321-L651 HydrophobicContact CB-CD2 4.5Å
652	A	39	Very low	54.6	Low	37 Å²	37	76.8 Å²	76.8	31%	0.306	41%	0.413	S	S	.	.			trans	-92.8	116.7	169.6	0	0	0	0	0	109.2	N321 V645 R650 A654	N321-A652 PolarHBondContact ND2-O 2.87Å; V645-A652 HydrophobicContact CG1-CB 4.12Å; V645-A652 HydrophobicContact CG2-CB 3.94Å; R650-A652 PolarHBondContact O-N 3.07Å; R650-A652 VanDerWaalsContact O-N 3.11Å; A652-A654 VanDerWaalsContact C-N 3.25Å; A652-A654 PolarHBondContact O-N 2.87Å
653	E	42.3	Very low	55.4	Low	178 Å²	178	74.9 Å²	74.9	83%	0.832	40%	0.403	S	S	*	.			trans	-62	87.9	166.9	-74.7	-173.4	152.8	0	0	109.7	Q655	E653-Q655 PolarHBondContact O-N 2.99Å
654	A	45.6	Very low	56.1	Low	53 Å²	53	73.2 Å²	73.2	44%	0.438	39%	0.392	S	S	.	.			trans	-64.2	107.5	169.9	0	0	0	0	0	107.9	A652 K656	A652-A654 VanDerWaalsContact C-N 3.25Å; A652-A654 PolarHBondContact O-N 2.87Å; A654-K656 PolarHBondContact O-N 2.86Å
655	Q	45.3	Very low	56.9	Low	146 Å²	146	75.5 Å²	75.5	68%	0.682	41%	0.406	S	S	*	.			trans	-50	104.6	173.5	-85.6	-175.3	-27.2	0	0	109.5	E653 S657	E653-Q655 PolarHBondContact O-N 2.99Å; Q655-S657 PolarHBondContact O-N 3.04Å
656	K	51.5	Low	57.9	Low	187 Å²	187	74.5 Å²	74.5	81%	0.813	40%	0.4	S	S	*	.	S	Bend	trans	-63.7	-9.1	-179.2	-76.2	-179.4	175.7	174.5	0	113.3	A654	A654-K656 PolarHBondContact O-N 2.86Å
657	S	57.5	Low	59.1	Low	60 Å²	60	69.6 Å²	69.6	42%	0.42	38%	0.375	S	S	.	.	S	Bend	trans	-124.3	136.5	-177.6	94.3	0	0	0	0	111.4	K437 Q655 G659	K437-S657 PolarHBondContact NZ-OG 3.2Å; Q655-S657 PolarHBondContact O-N 3.04Å; S657-G659 PolarHBondContact O-N 3.18Å
658	L	65.3	Low	60.3	Low	19 Å²	19	65.9 Å²	65.9	10%	0.099	35%	0.354	C	S	.	.			trans	-56.4	127.5	170	-96.4	72.6	0	0	0	110.6	W595 M663 M666	W595-L658 HydrophobicContact CE3-CD1 3.76Å; W595-L658 HydrophobicContact CE3-CD2 3.63Å; W595-L658 HydrophobicContact CE3-CG 4.38Å; W595-L658 HydrophobicContact CH2-CD2 4.32Å; W595-L658 HydrophobicContact CZ3-CD1 4.4Å; W595-L658 HydrophobicContact CZ3-CD2 3.41Å; W595-L658 VanDerWaalsContact CZ3-CD2 3.41Å; L658-M663 HydrophobicContact CB-CG 3.94Å; L658-M663 HydrophobicContact CB-SD 4.49Å; L658-M663 HydrophobicContact CD2-CG 3.8Å; L658-M663 HydrophobicContact CG-CG 4.49Å; L658-M666 HydrophobicContact CD2-CE 3.93Å; L658-M666 HydrophobicContact CD2-SD 3.41Å; L658-M666 WeakPolarHBondContact CD2-SD 3.47Å
659	G	69.5	Low	61.8	Low	24 Å²	24	66 Å²	66	25%	0.247	35%	0.354	C	S	.	.			trans	-67	162	172.4	0	0	0	0	0	112.5	S657 E662 M663	S657-G659 PolarHBondContact O-N 3.18Å; G659-E662 VanDerWaalsContact O-CB 3.31Å; G659-E662 WeakPolarHBondContact O-CB 3.2Å; G659-E662 PolarHBondContact O-N 3.38Å; G659-M663 WeakPolarHBondContact O-CE 3.42Å; G659-M663 PolarHBondContact O-N 2.93Å; G659-M663 VanDerWaalsContact O-N 3.11Å
660	K	74.5	Confident	63	Low	113 Å²	113	64.8 Å²	64.8	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-50.8	178.6	-68	-173.4	-178.5	-170.8	0	112.7	L435 L440 E662 M663 L664	L435-K660 WeakPolarHBondContact O-CE 3.34Å; L435-K660 PolarHBondContact O-NZ 3.07Å; L440-K660 HydrophobicContact CD1-CB 4.47Å; K660-E662 VanDerWaalsContact C-N 3.26Å; K660-E662 PolarHBondContact O-N 2.95Å; K660-M663 PolarHBondContact O-N 3.45Å; K660-L664 PolarHBondContact O-N 3.32Å
661	G	72.9	Confident	64.4	Low	48 Å²	48	59.1 Å²	59.1	50%	0.495	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-38.5	178.6	0	0	0	0	0	111.8	M663 L664 T665	G661-M663 PolarHBondContact O-N 3.26Å; G661-L664 WeakPolarHBondContact O-CB 3.32Å; G661-L664 PolarHBondContact O-N 2.96Å; G661-L664 VanDerWaalsContact O-N 3.15Å; G661-T665 WeakPolarHBondContact O-CG2 3.5Å; G661-T665 PolarHBondContact O-N 3.07Å
662	E	74.2	Confident	65.7	Low	40 Å²	40	59 Å²	59	19%	0.187	32%	0.321	C	S	.	.	H	α-helix	trans	-58.9	-39.7	175.5	-95.5	-156.9	-158.7	0	0	114.5	R634 G659 K660 T665 M666	R634-E662 VanDerWaalsContact CZ-CG 3.41Å; R634-E662 IonicContact CZ-OE2 3.12Å; R634-E662 IonicContact NE-OE2 2.76Å; R634-E662 PolarHBondContact NH1-O 3.35Å; R634-E662 IonicContact NH1-OE2 3.14Å; R634-E662 PolarHBondContact NH1-OE2 3.05Å; R634-E662 PolarHBondContact NH2-O 2.84Å; R634-E662 VanDerWaalsContact NH2-O 3.08Å; G659-E662 VanDerWaalsContact O-CB 3.31Å; G659-E662 WeakPolarHBondContact O-CB 3.2Å; G659-E662 PolarHBondContact O-N 3.38Å; K660-E662 VanDerWaalsContact C-N 3.26Å; K660-E662 PolarHBondContact O-N 2.95Å; E662-T665 PolarHBondContact O-OG1 3.11Å; E662-M666 VanDerWaalsContact O-CG 3.31Å; E662-M666 WeakPolarHBondContact O-CG 3.29Å; E662-M666 PolarHBondContact O-N 3.26Å
663	M	76.2	Confident	67.1	Low	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-72	-36.7	174.3	-72.2	178.4	-76.4	0	0	111.5	K437 L440 L441 L444 L658 G659 K660 G661 M666 I667	K437-M663 HydrophobicContact CG-CE 3.71Å; L440-M663 HydrophobicContact CB-CB 4.32Å; L440-M663 HydrophobicContact CB-CE 4.22Å; L440-M663 HydrophobicContact CB-SD 3.99Å; L440-M663 HydrophobicContact CD1-CB 4.36Å; L440-M663 HydrophobicContact CD1-CE 4.08Å; L441-M663 HydrophobicContact CD2-SD 3.65Å; L441-M663 HydrophobicContact CG-SD 3.85Å; L444-M663 HydrophobicContact CD2-CG 4.35Å; L658-M663 HydrophobicContact CB-CG 3.94Å; L658-M663 HydrophobicContact CB-SD 4.49Å; L658-M663 HydrophobicContact CD2-CG 3.8Å; L658-M663 HydrophobicContact CG-CG 4.49Å; G659-M663 WeakPolarHBondContact O-CE 3.42Å; G659-M663 PolarHBondContact O-N 2.93Å; G659-M663 VanDerWaalsContact O-N 3.11Å; K660-M663 PolarHBondContact O-N 3.45Å; G661-M663 PolarHBondContact O-N 3.26Å; M663-M666 WeakPolarHBondContact O-CB 3.42Å; M663-M666 PolarHBondContact O-N 3.06Å; M663-I667 WeakPolarHBondContact O-CG1 3.49Å; M663-I667 PolarHBondContact O-N 2.96Å
664	L	77.9	Confident	68.2	Low	25 Å²	25	54.4 Å²	54.4	13%	0.131	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-42.9	179.3	-168.1	75.9	0	0	0	111.4	V428 L435 L440 K660 G661 M666 I667 R668	V428-L664 WeakPolarHBondContact O-CD1 3.35Å; L435-L664 HydrophobicContact CD2-CD1 4.02Å; L440-L664 HydrophobicContact CD2-CD1 4.3Å; K660-L664 PolarHBondContact O-N 3.32Å; G661-L664 WeakPolarHBondContact O-CB 3.32Å; G661-L664 PolarHBondContact O-N 2.96Å; G661-L664 VanDerWaalsContact O-N 3.15Å; L664-M666 VanDerWaalsContact C-N 3.26Å; L664-M666 PolarHBondContact O-N 3.11Å; L664-I667 PolarHBondContact O-N 2.89Å; L664-R668 WeakPolarHBondContact O-CB 3.23Å; L664-R668 WeakPolarHBondContact O-CG 3.22Å; L664-R668 PolarHBondContact O-N 3.11Å
665	T	79.4	Confident	69.2	Low	77 Å²	77	55 Å²	55	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-36.5	175.5	60.7	0	0	0	0	111.7	R634 G661 E662 H669	R634-T665 PolarHBondContact NH2-OG1 2.77Å; G661-T665 WeakPolarHBondContact O-CG2 3.5Å; G661-T665 PolarHBondContact O-N 3.07Å; E662-T665 PolarHBondContact O-OG1 3.11Å; T665-H669 PolarHBondContact O-N 3.18Å; T665-H669 VanDerWaalsContact O-N 3.14Å
666	M	76.4	Confident	70.2	Confident	2 Å²	2	52 Å²	52	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-41.2	176.5	-74	171.5	161	0	0	112.4	L444 W595 V627 R630 R634 L658 E662 M663 L664 H669	L444-M666 HydrophobicContact CD1-CB 4.24Å; W595-M666 HydrophobicContact CZ3-CE 4.19Å; W595-M666 HydrophobicContact CZ3-SD 3.84Å; V627-M666 HydrophobicContact CG2-CB 4.2Å; R630-M666 HydrophobicContact CB-CB 4.45Å; R630-M666 HydrophobicContact CB-CG 3.88Å; R634-M666 HydrophobicContact CB-CE 4.09Å; R634-M666 HydrophobicContact CG-CE 3.72Å; L658-M666 HydrophobicContact CD2-CE 3.93Å; L658-M666 HydrophobicContact CD2-SD 3.41Å; L658-M666 WeakPolarHBondContact CD2-SD 3.47Å; E662-M666 VanDerWaalsContact O-CG 3.31Å; E662-M666 WeakPolarHBondContact O-CG 3.29Å; E662-M666 PolarHBondContact O-N 3.26Å; M663-M666 WeakPolarHBondContact O-CB 3.42Å; M663-M666 PolarHBondContact O-N 3.06Å; L664-M666 VanDerWaalsContact C-N 3.26Å; L664-M666 PolarHBondContact O-N 3.11Å; M666-H669 WeakPolarHBondContact O-CB 3.46Å; M666-H669 PolarHBondContact O-N 2.9Å
667	I	78.5	Confident	70.5	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-38	179.4	-68.7	165.9	0	0	0	111.3	L422 V429 L440 I443 L444 L447 M663 L664 H669	L422-I667 HydrophobicContact CD2-CG2 3.93Å; V429-I667 HydrophobicContact CG2-CG2 3.97Å; L440-I667 HydrophobicContact CD2-CD1 3.76Å; I443-I667 HydrophobicContact CB-CD1 4.19Å; I443-I667 HydrophobicContact CG2-CD1 3.99Å; I443-I667 HydrophobicContact CG2-CG1 4.32Å; I443-I667 HydrophobicContact CG2-CG2 4.15Å; L444-I667 HydrophobicContact CD1-CD1 4.47Å; L444-I667 HydrophobicContact CD1-CG1 3.91Å; L447-I667 HydrophobicContact CD1-CG1 4.32Å; L447-I667 HydrophobicContact CD1-CG2 4.21Å; M663-I667 WeakPolarHBondContact O-CG1 3.49Å; M663-I667 PolarHBondContact O-N 2.96Å; L664-I667 PolarHBondContact O-N 2.89Å; I667-H669 VanDerWaalsContact C-N 3.28Å; I667-H669 PolarHBondContact O-N 3.09Å
668	R	77.1	Confident	70.3	Confident	80 Å²	80	50.6 Å²	50.6	30%	0.302	28%	0.28	S	S	.	.	H	α-helix	trans	-72	-22.5	177.4	-72	-180	179.6	-168.7	-3.1	112.9	V429 N430 L664 G670 A671	V429-R668 HydrophobicContact CG1-CG 4.38Å; V429-R668 VanDerWaalsContact O-CZ 3.23Å; V429-R668 PolarHBondContact O-NE 3.31Å; V429-R668 PolarHBondContact O-NH2 3.48Å; N430-R668 PolarHBondContact O-NH2 3.45Å; N430-R668 VanDerWaalsContact O-NH2 3.09Å; L664-R668 WeakPolarHBondContact O-CB 3.23Å; L664-R668 WeakPolarHBondContact O-CG 3.22Å; L664-R668 PolarHBondContact O-N 3.11Å; R668-G670 PolarHBondContact O-N 3.38Å; R668-A671 VanDerWaalsContact O-CB 3.31Å; R668-A671 WeakPolarHBondContact O-CB 3.38Å; R668-A671 PolarHBondContact O-N 3.35Å; R668-A671 VanDerWaalsContact O-N 3.12Å
669	H	74.5	Confident	69.6	Low	41 Å²	41	56.2 Å²	56.2	19%	0.19	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	125.2	-179.3	-172.2	-108.1	0	0	0	111.6	E629 R630 T665 M666 I667 A671	E629-H669 IonicContact OE2-CE1 3.52Å; R630-H669 HydrophobicContact CG-CB 3.61Å; R630-H669 VanDerWaalsContact CG-CG 3.43Å; R630-H669 PolarHBondContact NE-CD2 3.37Å; R630-H669 VanDerWaalsContact NE-CG 3.26Å; R630-H669 PolarHBondContact NE-NE2 3.36Å; R630-H669 PolarHBondContact NH2-CD2 3.1Å; R630-H669 PolarHBondContact NH2-NE2 3.12Å; T665-H669 PolarHBondContact O-N 3.18Å; T665-H669 VanDerWaalsContact O-N 3.14Å; M666-H669 WeakPolarHBondContact O-CB 3.46Å; M666-H669 PolarHBondContact O-N 2.9Å; I667-H669 VanDerWaalsContact C-N 3.28Å; I667-H669 PolarHBondContact O-N 3.09Å; H669-A671 PolarHBondContact O-N 3Å
670	G	66	Low	68.4	Low	8 Å²	8	58.2 Å²	58.2	8%	0.082	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-1.2	-178.8	0	0	0	0	0	114.2	R668 D672 H673 V674	R668-G670 PolarHBondContact O-N 3.38Å; G670-D672 VanDerWaalsContact C-N 3.29Å; G670-D672 PolarHBondContact O-N 3.38Å; G670-H673 CarbonylContact O-C 3.59Å; G670-H673 PolarHBondContact O-N 2.98Å; G670-H673 VanDerWaalsContact O-N 3.09Å; G670-V674 WeakPolarHBondContact O-CB 3.45Å; G670-V674 VanDerWaalsContact O-CG2 3.22Å; G670-V674 WeakPolarHBondContact O-CG2 3.46Å; G670-V674 PolarHBondContact O-N 3.25Å
671	A	69	Low	66.9	Low	4 Å²	4	56.6 Å²	56.6	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-55.6	-46.1	178	0	0	0	0	0	110.9	L422 R668 H669 H673 V674 F675	L422-A671 HydrophobicContact CD1-CB 4.21Å; R668-A671 VanDerWaalsContact O-CB 3.31Å; R668-A671 WeakPolarHBondContact O-CB 3.38Å; R668-A671 PolarHBondContact O-N 3.35Å; R668-A671 VanDerWaalsContact O-N 3.12Å; H669-A671 PolarHBondContact O-N 3Å; A671-H673 PolarHBondContact O-N 3.49Å; A671-V674 PolarHBondContact O-N 3.01Å; A671-F675 HydrophobicContact CB-CD2 4.36Å; A671-F675 HydrophobicContact CB-CE2 4.18Å; A671-F675 WeakPolarHBondContact O-CD2 3.37Å; A671-F675 WeakPolarHBondContact O-CG 3.29Å; A671-F675 PolarHBondContact O-N 3.46Å
672	D	66.5	Low	65.9	Low	95 Å²	95	56.1 Å²	56.1	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-41.7	176.8	-62.2	-26.6	0	0	0	112.3	G670 F675 A676	G670-D672 VanDerWaalsContact C-N 3.29Å; G670-D672 PolarHBondContact O-N 3.38Å; D672-F675 PolarHBondContact O-N 3.06Å; D672-A676 WeakPolarHBondContact O-CB 3.3Å; D672-A676 PolarHBondContact O-N 3.41Å
673	H	68.2	Low	64.7	Low	115 Å²	115	58.2 Å²	58.2	53%	0.532	33%	0.325	S	S	.	.	H	α-helix	trans	-66.4	-37.3	176	-74.3	-71.5	0	0	0	112.3	N625 G670 A671 G677	N625-H673 HydrophobicContact CB-CB 4.18Å; G670-H673 CarbonylContact O-C 3.59Å; G670-H673 PolarHBondContact O-N 2.98Å; G670-H673 VanDerWaalsContact O-N 3.09Å; A671-H673 PolarHBondContact O-N 3.49Å; H673-G677 WeakPolarHBondContact O-CA 3.31Å; H673-G677 PolarHBondContact O-N 3.49Å
674	V	66.1	Low	63.8	Low	3 Å²	3	65.2 Å²	65.2	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-68.2	-41.5	176.6	171.1	0	0	0	0	110.5	Y415 Y418 T419 L422 G670 A671	Y415-V674 HydrophobicContact CD1-CB 3.98Å; Y415-V674 HydrophobicContact CD1-CG1 3.81Å; Y415-V674 HydrophobicContact CD1-CG2 4.01Å; Y415-V674 HydrophobicContact CE1-CB 4.29Å; Y415-V674 HydrophobicContact CE1-CG2 3.98Å; Y418-V674 HydrophobicContact CD1-CB 4.29Å; Y418-V674 HydrophobicContact CD1-CG1 3.61Å; Y418-V674 HydrophobicContact CD1-CG2 3.86Å; Y418-V674 HydrophobicContact CE1-CG1 4.43Å; Y418-V674 HydrophobicContact CE1-CG2 3.98Å; Y418-V674 HydrophobicContact CG-CG1 4.33Å; T419-V674 WeakPolarHBondContact OG1-CG1 3.13Å; L422-V674 HydrophobicContact CD1-CG1 4.46Å; G670-V674 WeakPolarHBondContact O-CB 3.45Å; G670-V674 VanDerWaalsContact O-CG2 3.22Å; G670-V674 WeakPolarHBondContact O-CG2 3.46Å; G670-V674 PolarHBondContact O-N 3.25Å; A671-V674 PolarHBondContact O-N 3.01Å
675	F	66.3	Low	63	Low	67 Å²	67	67 Å²	67	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-71.7	-33.6	176.9	-72.5	-64.3	0	0	0	112.8	T419 L422 M423 A671 D672 I746	T419-F675 HydrophobicContact CG2-CD1 3.74Å; T419-F675 HydrophobicContact CG2-CE1 3.59Å; L422-F675 HydrophobicContact CB-CE2 4.5Å; L422-F675 HydrophobicContact CB-CZ 3.9Å; L422-F675 HydrophobicContact CD1-CE2 4.15Å; L422-F675 HydrophobicContact CD1-CZ 4.23Å; M423-F675 HydrophobicContact CE-CD1 4.32Å; M423-F675 HydrophobicContact CE-CE1 3.94Å; M423-F675 HydrophobicContact CG-CE1 4Å; A671-F675 HydrophobicContact CB-CD2 4.36Å; A671-F675 HydrophobicContact CB-CE2 4.18Å; A671-F675 WeakPolarHBondContact O-CD2 3.37Å; A671-F675 WeakPolarHBondContact O-CG 3.29Å; A671-F675 PolarHBondContact O-N 3.46Å; D672-F675 PolarHBondContact O-N 3.06Å; F675-I746 HydrophobicContact CE2-CD1 3.83Å; F675-I746 HydrophobicContact CZ-CD1 4.37Å
676	A	67.1	Low	62.5	Low	81 Å²	81	69.5 Å²	69.5	67%	0.669	38%	0.381	S	S	*	.	H	α-helix	trans	-81.5	-23.8	177.6	0	0	0	0	0	113.5	D672 K678	D672-A676 WeakPolarHBondContact O-CB 3.3Å; D672-A676 PolarHBondContact O-N 3.41Å; A676-K678 PolarHBondContact O-N 3.42Å
677	G	58.2	Low	62.4	Low	27 Å²	27	70.2 Å²	70.2	28%	0.278	39%	0.385	S	S	.	.			trans	-68.9	107.6	-175.9	0	0	0	0	0	112.8	H673	H673-G677 WeakPolarHBondContact O-CA 3.31Å; H673-G677 PolarHBondContact O-N 3.49Å
678	K	51.5	Low	62.4	Low	191 Å²	191	74.9 Å²	74.9	83%	0.83	41%	0.409	S	S	*	.			trans	-76.9	142	157.6	-68.5	-179.4	-179.9	177.6	0	108.3	A676 S680	A676-K678 PolarHBondContact O-N 3.42Å; K678-S680 PolarHBondContact O-N 3.01Å; K678-S680 PolarHBondContact O-OG 3.15Å
679	E	50.5	Low	62.6	Low	137 Å²	137	72.7 Å²	72.7	64%	0.64	41%	0.412	S	S	*	.			trans	-35.2	95.6	-176.2	-69.1	171.7	179.2	0	0	113.4	R416 A681	R416-E679 IonicContact CZ-OE1 2.79Å; R416-E679 IonicContact NE-OE1 3.09Å; R416-E679 PolarHBondContact NE-OE1 3.42Å; R416-E679 IonicContact NH2-OE1 3.91Å; R416-E679 PolarHBondContact NH2-OE1 3.2Å; R416-E679 IonicContact NH2-OE2 3.49Å; E679-A681 PolarHBondContact O-N 3.11Å
680	S	44.5	Very low	62.8	Low	67 Å²	67	72 Å²	72	47%	0.469	41%	0.409	S	S	.	.			trans	-77	110	172.7	-37.2	0	0	0	0	108.2	K678 I682	K678-S680 PolarHBondContact O-N 3.01Å; K678-S680 PolarHBondContact O-OG 3.15Å; S680-I682 PolarHBondContact O-N 3.27Å
681	A	43.8	Very low	63.5	Low	79 Å²	79	73 Å²	73	65%	0.653	41%	0.412	S	S	*	.			trans	-59.9	128.9	168.2	0	0	0	0	0	108.9	E679 T683	E679-A681 PolarHBondContact O-N 3.11Å; A681-T683 PolarHBondContact O-N 3.32Å
682	I	50.9	Low	64.1	Low	38 Å²	38	75.4 Å²	75.4	20%	0.195	43%	0.433	C	S	.	.			trans	-49.9	115.4	164.1	-66.9	162.9	0	0	0	105.7	R413 V480 S680 D684	R413-I682 VanDerWaalsContact CD-CD1 3.45Å; R413-I682 HydrophobicContact CG-CD1 3.92Å; R413-I682 HydrophobicContact CG-CG1 4.02Å; R413-I682 VanDerWaalsContact CZ-CD1 3.5Å; R413-I682 VanDerWaalsContact NH2-CB 3.25Å; R413-I682 VanDerWaalsContact NH2-N 3.16Å; V480-I682 HydrophobicContact CB-CD1 4.13Å; V480-I682 HydrophobicContact CG1-CD1 4.07Å; V480-I682 HydrophobicContact CG2-CD1 4.05Å; S680-I682 PolarHBondContact O-N 3.27Å; I682-D684 PolarHBondContact O-N 2.94Å
683	T	50.1	Low	64.8	Low	83 Å²	83	76.4 Å²	76.4	51%	0.509	43%	0.429	S	S	.	.			trans	-56.2	135.8	162.9	37.8	0	0	0	0	106.4	A681 E685	A681-T683 PolarHBondContact O-N 3.32Å; T683-E685 PolarHBondContact O-N 3.08Å; T683-E685 WeakPolarHBondContact OG1-CG 3.45Å; T683-E685 PolarHBondContact OG1-OE1 2.78Å; T683-E685 VanDerWaalsContact OG1-OE1 3.09Å; T683-E685 PolarHBondContact OG1-OE2 3.05Å
684	D	57.2	Low	65.4	Low	147 Å²	147	71.1 Å²	71.1	79%	0.786	41%	0.405	S	S	*	.			trans	-69.3	48.6	177.7	-110.7	-22.2	0	0	0	111.4	K484 I682 D686	K484-D684 IonicContact NZ-OD1 3.39Å; K484-D684 PolarHBondContact NZ-OD1 2.95Å; I682-D684 PolarHBondContact O-N 2.94Å; D684-D686 PolarHBondContact O-N 3.27Å
685	E	60.9	Low	66.2	Low	64 Å²	64	75 Å²	75	30%	0.299	42%	0.424	S	S	.	.			trans	-66.8	132.7	178.1	-72.3	169.4	169.9	0	0	109	T683 I690 R693	T683-E685 PolarHBondContact O-N 3.08Å; T683-E685 WeakPolarHBondContact OG1-CG 3.45Å; T683-E685 PolarHBondContact OG1-OE1 2.78Å; T683-E685 VanDerWaalsContact OG1-OE1 3.09Å; T683-E685 PolarHBondContact OG1-OE2 3.05Å; E685-I690 HydrophobicContact CB-CD1 4.45Å; E685-I690 HydrophobicContact CB-CG1 4.19Å; E685-R693 IonicContact OE1-CZ 3.1Å; E685-R693 IonicContact OE1-NH1 2.65Å; E685-R693 PolarHBondContact OE1-NH1 2.77Å; E685-R693 IonicContact OE1-NH2 2.7Å; E685-R693 IonicContact OE2-CZ 3.93Å; E685-R693 IonicContact OE2-NH1 3.86Å; E685-R693 PolarHBondContact OE2-NH1 3.22Å; E685-R693 VanDerWaalsContact OE2-NH1 3.09Å; E685-R693 IonicContact OE2-NH2 3.67Å; E685-R693 PolarHBondContact OE2-NH2 3.4Å
686	D	68.8	Low	67.1	Low	129 Å²	129	78.6 Å²	78.6	69%	0.69	44%	0.441	S	S	*	.			trans	-58.6	140.1	172.4	-78.8	-35.9	0	0	0	109.9	D684 D688 G689 I690	D684-D686 PolarHBondContact O-N 3.27Å; D686-D688 PolarHBondContact O-N 2.99Å; D686-D688 VanDerWaalsContact O-N 3.08Å; D686-G689 PolarHBondContact O-N 3.26Å; D686-I690 PolarHBondContact O-N 3.12Å; D686-I690 VanDerWaalsContact O-N 3.17Å
687	I	75	Confident	67.9	Low	17 Å²	17	79.3 Å²	79.3	9%	0.087	43%	0.429	C	S	.	.	H	α-helix	trans	-57.1	-29.6	-179.1	-162.2	169.3	0	0	0	112	L481 K484 L485 K488 I690 L691	L481-I687 HydrophobicContact CD1-CD1 4.38Å; L481-I687 HydrophobicContact CD1-CG1 4.3Å; K484-I687 HydrophobicContact CB-CB 4.46Å; K484-I687 HydrophobicContact CB-CD1 3.84Å; L485-I687 HydrophobicContact CB-CD1 3.67Å; L485-I687 HydrophobicContact CD1-CD1 3.8Å; L485-I687 HydrophobicContact CG-CD1 4.34Å; K488-I687 HydrophobicContact CD-CG2 3.73Å; I687-I690 PolarHBondContact O-N 3.32Å; I687-L691 HydrophobicContact CG1-CD1 4.36Å; I687-L691 HydrophobicContact CG1-CG 4.45Å; I687-L691 WeakPolarHBondContact O-CB 3.46Å; I687-L691 WeakPolarHBondContact O-CG 3.34Å; I687-L691 PolarHBondContact O-N 3.17Å
688	D	78.5	Confident	69	Low	99 Å²	99	79.1 Å²	79.1	53%	0.529	42%	0.423	S	S	.	.	H	α-helix	trans	-63.3	-40.6	174.1	-75.4	-63.4	0	0	0	112.8	K488 D686 L691 A692	K488-D688 IonicContact NZ-OD1 2.8Å; K488-D688 PolarHBondContact NZ-OD1 3.44Å; K488-D688 IonicContact NZ-OD2 3.53Å; K488-D688 PolarHBondContact NZ-OD2 2.71Å; D686-D688 PolarHBondContact O-N 2.99Å; D686-D688 VanDerWaalsContact O-N 3.08Å; D688-L691 PolarHBondContact O-N 3.03Å; D688-A692 WeakPolarHBondContact O-CB 3.46Å; D688-A692 PolarHBondContact O-N 3.35Å
689	G	80.7	Confident	70.6	Confident	35 Å²	35	75 Å²	75	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-67.6	-39.4	174.7	0	0	0	0	0	112.2	D686 A692 R693	D686-G689 PolarHBondContact O-N 3.26Å; G689-A692 PolarHBondContact O-N 3.24Å; G689-R693 WeakPolarHBondContact O-CG 3.46Å; G689-R693 PolarHBondContact O-N 2.95Å; G689-R693 VanDerWaalsContact O-N 3.11Å
690	I	78.5	Confident	72.2	Confident	25 Å²	25	71.2 Å²	71.2	13%	0.128	40%	0.399	C	S	.	.	H	α-helix	trans	-62.4	-46.1	174.7	-61.8	174.6	0	0	0	110.3	I408 L481 E685 D686 I687 S694	I408-I690 HydrophobicContact CG2-CG2 3.8Å; L481-I690 HydrophobicContact CD1-CG2 4.32Å; E685-I690 HydrophobicContact CB-CD1 4.45Å; E685-I690 HydrophobicContact CB-CG1 4.19Å; D686-I690 PolarHBondContact O-N 3.12Å; D686-I690 VanDerWaalsContact O-N 3.17Å; I687-I690 PolarHBondContact O-N 3.32Å; I690-S694 WeakPolarHBondContact O-CB 2.93Å; I690-S694 PolarHBondContact O-N 3.41Å; I690-S694 PolarHBondContact O-OG 2.92Å
691	L	80.6	Confident	73.9	Confident	29 Å²	29	69.4 Å²	69.4	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-63.6	-43.6	179.1	-72.2	171.6	0	0	0	112.1	I408 F619 I687 D688 S694 E695	I408-L691 HydrophobicContact CD1-CD2 3.71Å; I408-L691 HydrophobicContact CG1-CD2 4.32Å; F619-L691 HydrophobicContact CD1-CD2 4.22Å; F619-L691 HydrophobicContact CE1-CD2 3.75Å; I687-L691 HydrophobicContact CG1-CD1 4.36Å; I687-L691 HydrophobicContact CG1-CG 4.45Å; I687-L691 WeakPolarHBondContact O-CB 3.46Å; I687-L691 WeakPolarHBondContact O-CG 3.34Å; I687-L691 PolarHBondContact O-N 3.17Å; D688-L691 PolarHBondContact O-N 3.03Å; L691-S694 WeakPolarHBondContact O-CB 3.43Å; L691-S694 PolarHBondContact O-N 3.25Å; L691-E695 PolarHBondContact O-N 3.27Å
692	A	82.3	Confident	75.7	Confident	56 Å²	56	71.7 Å²	71.7	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-47.9	179.2	0	0	0	0	0	112.6	D688 G689 S694 E695 E696	D688-A692 WeakPolarHBondContact O-CB 3.46Å; D688-A692 PolarHBondContact O-N 3.35Å; G689-A692 PolarHBondContact O-N 3.24Å; A692-S694 VanDerWaalsContact C-N 3.27Å; A692-S694 PolarHBondContact O-N 3.15Å; A692-E695 PolarHBondContact O-N 2.96Å; A692-E696 PolarHBondContact O-N 3.14Å; A692-E696 VanDerWaalsContact O-N 3.11Å
693	R	82.1	Confident	77.3	Confident	115 Å²	115	75.7 Å²	75.7	43%	0.434	40%	0.395	S	S	.	.	H	α-helix	trans	-64.4	-34.2	176	-67.3	-175.7	-50.6	-170.3	7.8	112.2	E685 G689 E696 K697	E685-R693 IonicContact OE1-CZ 3.1Å; E685-R693 IonicContact OE1-NH1 2.65Å; E685-R693 PolarHBondContact OE1-NH1 2.77Å; E685-R693 IonicContact OE1-NH2 2.7Å; E685-R693 IonicContact OE2-CZ 3.93Å; E685-R693 IonicContact OE2-NH1 3.86Å; E685-R693 PolarHBondContact OE2-NH1 3.22Å; E685-R693 VanDerWaalsContact OE2-NH1 3.09Å; E685-R693 IonicContact OE2-NH2 3.67Å; E685-R693 PolarHBondContact OE2-NH2 3.4Å; G689-R693 WeakPolarHBondContact O-CG 3.46Å; G689-R693 PolarHBondContact O-N 2.95Å; G689-R693 VanDerWaalsContact O-N 3.11Å; R693-E696 PolarHBondContact O-N 3.07Å; R693-K697 WeakPolarHBondContact O-CG 3.47Å; R693-K697 PolarHBondContact O-N 3.17Å
694	S	80.4	Confident	78.7	Confident	4 Å²	4	77.6 Å²	77.6	3%	0.028	39%	0.393	C	S	.	.	H	α-helix	trans	-67	-38.9	176.9	-64.6	0	0	0	0	111.7	K407 I690 L691 A692 T698	K407-S694 VanDerWaalsContact O-CB 3.3Å; K407-S694 WeakPolarHBondContact O-CB 3.41Å; I690-S694 WeakPolarHBondContact O-CB 2.93Å; I690-S694 PolarHBondContact O-N 3.41Å; I690-S694 PolarHBondContact O-OG 2.92Å; L691-S694 WeakPolarHBondContact O-CB 3.43Å; L691-S694 PolarHBondContact O-N 3.25Å; A692-S694 VanDerWaalsContact C-N 3.27Å; A692-S694 PolarHBondContact O-N 3.15Å; S694-T698 VanDerWaalsContact O-CB 3.32Å; S694-T698 WeakPolarHBondContact O-CB 3.41Å; S694-T698 PolarHBondContact O-N 3.15Å; S694-T698 PolarHBondContact O-OG1 3.05Å
695	E	82.6	Confident	79.4	Confident	86 Å²	86	71.6 Å²	71.6	40%	0.402	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-47.1	174.2	-168.1	163.4	-152.1	0	0	110.8	L406 L691 A692 K697 T698 E699	L406-E695 HydrophobicContact CD2-CB 3.84Å; L406-E695 HydrophobicContact CD2-CG 3.83Å; L691-E695 PolarHBondContact O-N 3.27Å; A692-E695 PolarHBondContact O-N 2.96Å; E695-K697 PolarHBondContact O-N 3.03Å; E695-T698 WeakPolarHBondContact O-CB 3.37Å; E695-T698 PolarHBondContact O-N 3.1Å; E695-E699 WeakPolarHBondContact O-CG 3.43Å; E695-E699 PolarHBondContact O-N 2.82Å
696	E	85.5	Confident	80.1	Confident	141 Å²	141	73.5 Å²	73.5	66%	0.659	37%	0.369	S	S	*	.	H	α-helix	trans	-59	-48.3	176.1	-173.5	-179.4	-173.6	0	0	112.6	A692 R693 T698 E699 A700	A692-E696 PolarHBondContact O-N 3.14Å; A692-E696 VanDerWaalsContact O-N 3.11Å; R693-E696 PolarHBondContact O-N 3.07Å; E696-T698 VanDerWaalsContact C-N 3.32Å; E696-T698 PolarHBondContact O-N 3.26Å; E696-E699 PolarHBondContact O-N 3.47Å; E696-A700 WeakPolarHBondContact O-CB 3.41Å; E696-A700 PolarHBondContact O-N 3.05Å
697	K	83.2	Confident	80.5	Confident	97 Å²	97	75 Å²	75	42%	0.422	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-38.7	176.1	-75.7	-171.3	-179.7	-170.6	0	112.3	Y409 E624 R693 E695 A700 L701	Y409-K697 HydrophobicContact CD2-CB 4.15Å; Y409-K697 HydrophobicContact CD2-CD 3.77Å; Y409-K697 HydrophobicContact CE2-CB 3.89Å; Y409-K697 HydrophobicContact CE2-CD 4.13Å; Y409-K697 HydrophobicContact CG-CD 4.23Å; E624-K697 IonicContact OE1-NZ 2.75Å; E624-K697 PolarHBondContact OE1-NZ 2.63Å; R693-K697 WeakPolarHBondContact O-CG 3.47Å; R693-K697 PolarHBondContact O-N 3.17Å; E695-K697 PolarHBondContact O-N 3.03Å; K697-A700 PolarHBondContact O-N 3.47Å; K697-L701 PolarHBondContact O-N 3.15Å
698	T	81.9	Confident	80.1	Confident	23 Å²	23	76.5 Å²	76.5	14%	0.141	38%	0.38	C	S	.	.	H	α-helix	trans	-64.9	-44.5	178.5	-58.2	0	0	0	0	110.6	K407 S694 E695 E696 L701 K702	K407-T698 WeakPolarHBondContact CB-OG1 3.35Å; K407-T698 HydrophobicContact CD-CG2 4.36Å; K407-T698 HydrophobicContact CG-CG2 4.31Å; K407-T698 PolarHBondContact N-OG1 3.24Å; K407-T698 VanDerWaalsContact N-OG1 3.16Å; S694-T698 VanDerWaalsContact O-CB 3.32Å; S694-T698 WeakPolarHBondContact O-CB 3.41Å; S694-T698 PolarHBondContact O-N 3.15Å; S694-T698 PolarHBondContact O-OG1 3.05Å; E695-T698 WeakPolarHBondContact O-CB 3.37Å; E695-T698 PolarHBondContact O-N 3.1Å; E696-T698 VanDerWaalsContact C-N 3.32Å; E696-T698 PolarHBondContact O-N 3.26Å; T698-L701 PolarHBondContact O-N 3.42Å; T698-K702 WeakPolarHBondContact O-CB 3.49Å; T698-K702 PolarHBondContact O-N 2.98Å
699	E	84.7	Confident	79.2	Confident	104 Å²	104	73.5 Å²	73.5	49%	0.486	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-40.7	176.1	-72	-171.1	174.3	0	0	112.6	E695 E696 K702 K703	E695-E699 WeakPolarHBondContact O-CG 3.43Å; E695-E699 PolarHBondContact O-N 2.82Å; E696-E699 PolarHBondContact O-N 3.47Å; E699-K702 PolarHBondContact O-N 3.36Å; E699-K703 WeakPolarHBondContact O-CG 3.03Å; E699-K703 PolarHBondContact O-N 3.48Å
700	A	85.2	Confident	78.1	Confident	58 Å²	58	77 Å²	77	48%	0.479	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-44.1	177.1	0	0	0	0	0	112.1	E696 K697 K703 R704	E696-A700 WeakPolarHBondContact O-CB 3.41Å; E696-A700 PolarHBondContact O-N 3.05Å; K697-A700 PolarHBondContact O-N 3.47Å; A700-K703 PolarHBondContact O-N 3.01Å; A700-R704 WeakPolarHBondContact O-CB 3.49Å; A700-R704 PolarHBondContact O-N 2.99Å
701	L	79.9	Confident	76.8	Confident	29 Å²	29	78.9 Å²	78.9	15%	0.152	40%	0.395	C	S	.	.	H	α-helix	trans	-65.3	-40.3	176.3	180	62.7	0	0	0	111.9	K407 E636 K697 T698 R704 L705	K407-L701 HydrophobicContact CD-CD2 4.28Å; E636-L701 WeakPolarHBondContact OE2-CD2 3.48Å; K697-L701 PolarHBondContact O-N 3.15Å; T698-L701 PolarHBondContact O-N 3.42Å; L701-R704 PolarHBondContact O-N 3.49Å; L701-L705 HydrophobicContact CD1-CD1 4.42Å; L701-L705 HydrophobicContact CD1-CG 4.45Å; L701-L705 HydrophobicContact CG-CD1 4.2Å; L701-L705 WeakPolarHBondContact O-CG 3.28Å; L701-L705 PolarHBondContact O-N 2.85Å
702	K	80.9	Confident	75.7	Confident	126 Å²	126	78.7 Å²	78.7	55%	0.548	40%	0.396	S	S	.	.	H	α-helix	trans	-60.4	-46.1	175.2	-173.8	-178.8	175	-172.1	0	111.5	T698 E699 L705 E706	T698-K702 WeakPolarHBondContact O-CB 3.49Å; T698-K702 PolarHBondContact O-N 2.98Å; E699-K702 PolarHBondContact O-N 3.36Å; K702-L705 PolarHBondContact O-N 3.22Å; K702-E706 VanDerWaalsContact CE-OE1 3.23Å; K702-E706 WeakPolarHBondContact CE-OE1 3.2Å; K702-E706 WeakPolarHBondContact O-CG 3.44Å; K702-E706 PolarHBondContact O-N 3.48Å
703	K	83.7	Confident	74.6	Confident	122 Å²	122	76.8 Å²	76.8	53%	0.53	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-46.1	175	-73	175.3	-177.8	172.6	0	111.6	E699 A700 L705 E706 E707	E699-K703 WeakPolarHBondContact O-CG 3.03Å; E699-K703 PolarHBondContact O-N 3.48Å; A700-K703 PolarHBondContact O-N 3.01Å; K703-L705 VanDerWaalsContact C-N 3.31Å; K703-L705 PolarHBondContact O-N 3.38Å; K703-E706 PolarHBondContact O-N 2.94Å; K703-E707 WeakPolarHBondContact O-CG 3.27Å; K703-E707 PolarHBondContact O-N 3.38Å
704	R	79.4	Confident	73.2	Confident	124 Å²	124	77.6 Å²	77.6	47%	0.468	38%	0.381	S	S	.	.	H	α-helix	trans	-59.4	-39.9	176.9	-172	178.9	178.8	-176.7	-1.7	112.5	A700 L701 E706 L708	A700-R704 WeakPolarHBondContact O-CB 3.49Å; A700-R704 PolarHBondContact O-N 2.99Å; L701-R704 PolarHBondContact O-N 3.49Å; R704-E706 VanDerWaalsContact C-N 3.34Å; R704-L708 WeakPolarHBondContact O-CD1 3.47Å; R704-L708 VanDerWaalsContact O-CG 3.28Å; R704-L708 WeakPolarHBondContact O-CG 3.37Å; R704-L708 PolarHBondContact O-N 3.48Å
705	L	73.5	Confident	71.9	Confident	21 Å²	21	83.5 Å²	83.5	11%	0.11	41%	0.412	C	S	.	.	H	α-helix	trans	-71.4	-26.7	176.1	-73.1	169.4	0	0	0	113.4	E636 I637 L701 K702 K703 L708	E636-L705 HydrophobicContact CB-CD1 3.83Å; E636-L705 HydrophobicContact CG-CD1 4.45Å; E636-L705 WeakPolarHBondContact OE2-CD1 3.32Å; I637-L705 HydrophobicContact CG1-CD2 4.05Å; L701-L705 HydrophobicContact CD1-CD1 4.42Å; L701-L705 HydrophobicContact CD1-CG 4.45Å; L701-L705 HydrophobicContact CG-CD1 4.2Å; L701-L705 WeakPolarHBondContact O-CG 3.28Å; L701-L705 PolarHBondContact O-N 2.85Å; K702-L705 PolarHBondContact O-N 3.22Å; K703-L705 VanDerWaalsContact C-N 3.31Å; K703-L705 PolarHBondContact O-N 3.38Å; L705-L708 HydrophobicContact CD2-CD1 4.26Å
706	E	75.6	Confident	70.4	Confident	104 Å²	104	84 Å²	84	49%	0.486	41%	0.413	S	S	.	.	H	α-helix	trans	-77.3	-34.2	174.3	-73.9	172.1	-177.8	0	0	112.2	K702 K703 R704	K702-E706 VanDerWaalsContact CE-OE1 3.23Å; K702-E706 WeakPolarHBondContact CE-OE1 3.2Å; K702-E706 WeakPolarHBondContact O-CG 3.44Å; K702-E706 PolarHBondContact O-N 3.48Å; K703-E706 PolarHBondContact O-N 2.94Å; R704-E706 VanDerWaalsContact C-N 3.34Å
707	E	76	Confident	68.4	Low	159 Å²	159	79.6 Å²	79.6	74%	0.743	40%	0.401	S	S	*	.	H	α-helix	trans	-74.5	-27.8	176.3	-72.2	172.2	-175.8	0	0	113.4	K703 G709	K703-E707 WeakPolarHBondContact O-CG 3.27Å; K703-E707 PolarHBondContact O-N 3.38Å; E707-G709 PolarHBondContact O-N 3Å
708	L	66.2	Low	66.5	Low	50 Å²	50	77.1 Å²	77.1	26%	0.262	39%	0.392	S	S	.	.	S	Bend	trans	-64.3	109.7	178.3	-80.4	163.9	0	0	0	110.8	R704 L705 L713 L718	R704-L708 WeakPolarHBondContact O-CD1 3.47Å; R704-L708 VanDerWaalsContact O-CG 3.28Å; R704-L708 WeakPolarHBondContact O-CG 3.37Å; R704-L708 PolarHBondContact O-N 3.48Å; L705-L708 HydrophobicContact CD2-CD1 4.26Å; L708-L713 HydrophobicContact CB-CD2 4.1Å; L708-L713 HydrophobicContact CB-CG 4.25Å; L708-L718 HydrophobicContact CD1-CD2 4.2Å
709	G	60.2	Low	64.6	Low	36 Å²	36	82.1 Å²	82.1	37%	0.371	42%	0.418	S	S	.	.			trans	-61.4	158.5	177.2	0	0	0	0	0	113.8	E707 S711 S712 L713	E707-G709 PolarHBondContact O-N 3Å; G709-S711 PolarHBondContact O-N 3.33Å; G709-S711 VanDerWaalsContact O-N 3.16Å; G709-S712 PolarHBondContact O-N 3.31Å; G709-L713 PolarHBondContact O-N 2.88Å; G709-L713 VanDerWaalsContact O-N 3.12Å
710	E	57	Low	62.2	Low	107 Å²	107	81.2 Å²	81.2	50%	0.5	42%	0.42	S	S	.	.	H	α-helix	trans	-56.5	-32.6	-175.9	-63	-171.9	172.1	0	0	113.7	Q648 R714	Q648-E710 PolarHBondContact NE2-OE1 3.48Å; Q648-E710 PolarHBondContact NE2-OE2 3.35Å; E710-R714 WeakPolarHBondContact O-CG 3.38Å; E710-R714 PolarHBondContact O-N 2.73Å
711	S	51.9	Low	59.8	Low	66 Å²	66	86.4 Å²	86.4	46%	0.462	44%	0.44	S	S	.	.	H	α-helix	trans	-66.4	-44.5	176.3	45.4	0	0	0	0	112.1	G709 R714 N715	G709-S711 PolarHBondContact O-N 3.33Å; G709-S711 VanDerWaalsContact O-N 3.16Å; S711-R714 PolarHBondContact O-N 3.34Å; S711-N715 PolarHBondContact O-N 2.96Å
712	S	58.5	Low	57.4	Low	25 Å²	25	92.1 Å²	92.1	18%	0.175	47%	0.466	C	S	.	.	H	α-helix	trans	-71.4	-35.8	-177.5	-49.8	0	0	0	0	111.6	G709 R714 N715	G709-S712 PolarHBondContact O-N 3.31Å; S712-R714 VanDerWaalsContact C-N 3.3Å; S712-R714 PolarHBondContact O-N 2.72Å; S712-N715 PolarHBondContact O-N 2.88Å
713	L	58.3	Low	55.1	Low	16 Å²	16	89.1 Å²	89.1	8%	0.084	47%	0.47	C	S	.	.	H	α-helix	trans	-63.3	-34.1	173.9	-71	173.7	0	0	0	112.7	I637 R640 L708 G709	I637-L713 HydrophobicContact CG2-CD2 4.44Å; R640-L713 HydrophobicContact CG-CD1 4.19Å; L708-L713 HydrophobicContact CB-CD2 4.1Å; L708-L713 HydrophobicContact CB-CG 4.25Å; G709-L713 PolarHBondContact O-N 2.88Å; G709-L713 VanDerWaalsContact O-N 3.12Å
714	R	52.6	Low	52.7	Low	132 Å²	132	89.9 Å²	89.9	50%	0.498	49%	0.485	S	S	.	.	H	α-helix	trans	-73.3	-32.3	178.6	-75.9	-178.1	-178.4	-176.1	7.2	113.5	E710 S711 S712 F716	E710-R714 WeakPolarHBondContact O-CG 3.38Å; E710-R714 PolarHBondContact O-N 2.73Å; S711-R714 PolarHBondContact O-N 3.34Å; S712-R714 VanDerWaalsContact C-N 3.3Å; S712-R714 PolarHBondContact O-N 2.72Å; R714-F716 WeakPolarHBondContact O-CD2 3.36Å; R714-F716 PolarHBondContact O-N 2.65Å
715	N	52.8	Low	50.8	Low	127 Å²	127	85.9 Å²	85.9	68%	0.679	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	2.5	-174.3	-72.4	-18.8	0	0	0	113.9	S711 S712 A717	S711-N715 PolarHBondContact O-N 2.96Å; S712-N715 PolarHBondContact O-N 2.88Å; N715-A717 PolarHBondContact O-N 3.33Å
716	F	51	Low	49.7	Very low	97 Å²	97	91.3 Å²	91.3	43%	0.425	51%	0.51	S	S	.	.			trans	50.9	9.5	177.1	-81.7	-83.4	0	0	0	115.7	I637 R714	I637-F716 HydrophobicContact CG2-CE1 4.44Å; R714-F716 WeakPolarHBondContact O-CD2 3.36Å; R714-F716 PolarHBondContact O-N 2.65Å
717	A	43.9	Very low	48.6	Very low	49 Å²	49	90.8 Å²	90.8	41%	0.405	50%	0.504	S	S	.	.			trans	-101.9	91.1	-176.8	0	0	0	0	0	108.8	N715 D719	N715-A717 PolarHBondContact O-N 3.33Å; A717-D719 PolarHBondContact O-N 2.85Å; A717-D719 VanDerWaalsContact O-N 3.1Å
718	L	44.4	Very low	47.4	Very low	44 Å²	44	89.2 Å²	89.2	23%	0.23	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-3.6	171.7	-95.3	160.7	0	0	0	113.6	I637 L708	I637-L718 HydrophobicContact CD1-CD1 3.44Å; I637-L718 VanDerWaalsContact CD1-CD1 3.44Å; I637-L718 HydrophobicContact CD1-CG 3.95Å; L708-L718 HydrophobicContact CD1-CD2 4.2Å
719	D	40.9	Very low	46.6	Very low	129 Å²	129	93 Å²	93	69%	0.69	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	23.6	-168.2	-75.5	-21.9	0	0	0	115.4	A717	A717-D719 PolarHBondContact O-N 2.85Å; A717-D719 VanDerWaalsContact O-N 3.1Å
720	T	35.2	Very low	46.3	Very low	85 Å²	85	99.8 Å²	99.8	52%	0.521	53%	0.533	S	S	.	.			trans	-125	96.9	169.3	48.2	0	0	0	0	111.2	E722	T720-E722 PolarHBondContact O-N 3.39Å; T720-E722 VanDerWaalsContact O-N 3.15Å
721	N	33.4	Very low	46.6	Very low	167 Å²	167	98.6 Å²	98.6	89%	0.893	55%	0.55	S	S	*	.			trans	-51.5	115.5	161.1	-86.5	-9.8	0	0	0	109
722	E	31	Very low	46.7	Very low	149 Å²	149	101.5 Å²	101.5	70%	0.696	56%	0.556	S	S	*	*	S	Bend	trans	-71.4	136.3	165.3	-69.1	-177.9	152	0	0	109.3	T720	T720-E722 PolarHBondContact O-N 3.39Å; T720-E722 VanDerWaalsContact O-N 3.15Å
723	G	31.9	Very low	46.7	Very low	62 Å²	62	103.7 Å²	103.7	64%	0.639	57%	0.566	S	S	*	*	S	Bend	trans	115.4	93	176.4	0	0	0	0	0	112.1
724	T	33.4	Very low	47.1	Very low	139 Å²	139	107 Å²	107	85%	0.853	58%	0.578	S	S	*	*			trans	64.6	93.2	-177.5	24.6	0	0	0	0	115.1	V726	T724-V726 PolarHBondContact O-N 2.94Å
725	S	40.1	Very low	47.3	Very low	40 Å²	40	106.9 Å²	106.9	28%	0.28	58%	0.577	S	S	.	*			trans	-63.1	112	163.9	62.2	0	0	0	0	108.9	Y727 Q728	S725-Y727 PolarHBondContact O-N 3.34Å; S725-Q728 PolarHBondContact O-N 3.18Å; S725-Q728 WeakPolarHBondContact OG-CB 3.04Å; S725-Q728 WeakPolarHBondContact OG-CG 3.34Å; S725-Q728 PolarHBondContact OG-OE1 2.95Å
726	V	50.2	Low	47.2	Very low	135 Å²	135	105.2 Å²	105.2	82%	0.818	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	-18.6	168	175.5	0	0	0	0	112.1	T724	T724-V726 PolarHBondContact O-N 2.94Å
727	Y	50.9	Low	47.1	Very low	93 Å²	93	107.6 Å²	107.6	37%	0.365	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	2.3	178.8	-61.6	-71	0	0	0	115.4	S725 Y734 Q738	S725-Y727 PolarHBondContact O-N 3.34Å; Y727-Y734 WeakPolarHBondContact O-CD2 3.23Å; Y727-Y734 PolarHBondContact O-N 2.87Å; Y727-Q738 VanDerWaalsContact CE1-CD 3.47Å; Y727-Q738 VanDerWaalsContact CE1-NE2 3.28Å; Y727-Q738 VanDerWaalsContact CZ-OE1 3.31Å; Y727-Q738 PolarHBondContact OH-NE2 3.29Å; Y727-Q738 PolarHBondContact OH-OE1 3.49Å
728	Q	52.7	Low	47	Very low	125 Å²	125	109.4 Å²	109.4	58%	0.584	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.1	116.3	168.2	-82.7	175.8	-11.7	0	0	109.5	S725 D733	S725-Q728 PolarHBondContact O-N 3.18Å; S725-Q728 WeakPolarHBondContact OG-CB 3.04Å; S725-Q728 WeakPolarHBondContact OG-CG 3.34Å; S725-Q728 PolarHBondContact OG-OE1 2.95Å; Q728-D733 HydrophobicContact CG-CB 4.43Å
729	F	47.8	Very low	46.8	Very low	130 Å²	130	117.8 Å²	117.8	57%	0.57	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-132	129.9	172.9	-174.8	-97.6	0	0	0	108.1	G731 E732 Y734	F729-G731 PolarHBondContact O-N 3.02Å; F729-G731 VanDerWaalsContact O-N 3.12Å; F729-E732 PolarHBondContact N-O 2.82Å; F729-E732 PolarHBondContact O-N 3.07Å; F729-E732 VanDerWaalsContact O-N 3.13Å; F729-Y734 HydrophobicContact CB-CD2 4.34Å; F729-Y734 HydrophobicContact CB-CE2 3.68Å
730	E	54.8	Low	46.6	Very low	178 Å²	178	121 Å²	121	83%	0.832	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.6	32.5	-177.3	-65.4	-169.7	162.2	0	0	116.3	E732	E730-E732 VanDerWaalsContact C-N 3.3Å; E730-E732 PolarHBondContact O-N 3.43Å
731	G	63.2	Low	46.6	Very low	82 Å²	82	125 Å²	125	85%	0.845	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.9	1.4	177.5	0	0	0	0	0	115.1	F729	F729-G731 PolarHBondContact O-N 3.02Å; F729-G731 VanDerWaalsContact O-N 3.12Å
732	E	53.8	Low	46.7	Very low	127 Å²	127	122.4 Å²	122.4	59%	0.593	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.9	137	169	-71.8	-166.2	161.1	0	0	111.9	F729 E730 Y734	F729-E732 PolarHBondContact N-O 2.82Å; F729-E732 PolarHBondContact O-N 3.07Å; F729-E732 VanDerWaalsContact O-N 3.13Å; E730-E732 VanDerWaalsContact C-N 3.3Å; E730-E732 PolarHBondContact O-N 3.43Å; E732-Y734 HydrophobicContact CB-CE2 4.26Å; E732-Y734 WeakPolarHBondContact O-CD2 3.49Å
733	D	59	Low	47	Very low	71 Å²	71	119 Å²	119	38%	0.38	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.5	110	177.7	-166.4	-9.9	0	0	0	110.6	Q728 R735	Q728-D733 HydrophobicContact CG-CB 4.43Å; D733-R735 VanDerWaalsContact C-N 3.27Å; D733-R735 PolarHBondContact O-N 2.67Å; D733-R735 WeakPolarHBondContact OD1-CG 3.41Å; D733-R735 PolarHBondContact OD1-N 3.07Å
734	Y	65.5	Low	47.9	Very low	85 Å²	85	122 Å²	122	33%	0.333	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-0.7	-173.3	-72.4	-99.3	0	0	0	114.1	Y727 F729 E732 S736 K737	Y727-Y734 WeakPolarHBondContact O-CD2 3.23Å; Y727-Y734 PolarHBondContact O-N 2.87Å; F729-Y734 HydrophobicContact CB-CD2 4.34Å; F729-Y734 HydrophobicContact CB-CE2 3.68Å; E732-Y734 HydrophobicContact CB-CE2 4.26Å; E732-Y734 WeakPolarHBondContact O-CD2 3.49Å; Y734-S736 PolarHBondContact O-N 3.36Å; Y734-S736 VanDerWaalsContact O-N 3.12Å; Y734-K737 PolarHBondContact O-N 3.19Å; Y734-K737 VanDerWaalsContact O-N 3.1Å
735	R	57.2	Low	48.4	Very low	131 Å²	131	123.4 Å²	123.4	49%	0.494	61%	0.607	S	S	.	*	H	α-helix	trans	-54.8	-30.4	177.2	-83.7	176.3	165.5	152.2	-4.3	114.1	D733 K737 R739	D733-R735 VanDerWaalsContact C-N 3.27Å; D733-R735 PolarHBondContact O-N 2.67Å; D733-R735 WeakPolarHBondContact OD1-CG 3.41Å; D733-R735 PolarHBondContact OD1-N 3.07Å; R735-K737 VanDerWaalsContact C-N 3.34Å; R735-K737 PolarHBondContact O-N 2.88Å; R735-R739 PolarHBondContact O-N 3.09Å
736	S	50.1	Low	49.1	Very low	91 Å²	91	123.9 Å²	123.9	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-69.1	-29.4	-179.8	61.3	0	0	0	0	113.4	Y734	Y734-S736 PolarHBondContact O-N 3.36Å; Y734-S736 VanDerWaalsContact O-N 3.12Å
737	K	49	Very low	48.8	Very low	148 Å²	148	124.3 Å²	124.3	64%	0.643	60%	0.599	S	S	*	*	H	α-helix	trans	-82.8	-30.9	178.5	-75.7	177.9	178.9	167.5	0	112.8	Y734 R735 R739	Y734-K737 PolarHBondContact O-N 3.19Å; Y734-K737 VanDerWaalsContact O-N 3.1Å; R735-K737 VanDerWaalsContact C-N 3.34Å; R735-K737 PolarHBondContact O-N 2.88Å; K737-R739 VanDerWaalsContact C-N 3.35Å; K737-R739 PolarHBondContact O-N 2.98Å
738	Q	43	Very low	48.5	Very low	86 Å²	86	123 Å²	123	40%	0.402	60%	0.602	S	S	.	*	H	α-helix	trans	-75.7	-21.4	179.9	-135.2	-174.9	25.2	0	0	113.7	Y727 K740 Q741	Y727-Q738 VanDerWaalsContact CE1-CD 3.47Å; Y727-Q738 VanDerWaalsContact CE1-NE2 3.28Å; Y727-Q738 VanDerWaalsContact CZ-OE1 3.31Å; Y727-Q738 PolarHBondContact OH-NE2 3.29Å; Y727-Q738 PolarHBondContact OH-OE1 3.49Å; Q738-K740 PolarHBondContact O-N 3.38Å; Q738-Q741 PolarHBondContact O-N 3.27Å
739	R	40.4	Very low	48.2	Very low	220 Å²	220	122.8 Å²	122.8	83%	0.83	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-14.4	176.2	-117.5	179.4	172.3	179	-1.8	114.2	R735 K737	R735-R739 PolarHBondContact O-N 3.09Å; K737-R739 VanDerWaalsContact C-N 3.35Å; K737-R739 PolarHBondContact O-N 2.98Å
740	K	36.9	Very low	47.9	Very low	196 Å²	196	126.9 Å²	126.9	85%	0.852	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-1.4	177.4	-73	-176.8	176.9	179.2	0	114.8	Q738	Q738-K740 PolarHBondContact O-N 3.38Å
741	Q	33.3	Very low	47	Very low	169 Å²	169	130.6 Å²	130.6	79%	0.79	64%	0.636	S	S	*	*			trans	-130.7	16.4	-168.5	-121.1	175.2	0.2	0	0	116	Q738 G743	Q738-Q741 PolarHBondContact O-N 3.27Å; Q741-G743 PolarHBondContact O-N 3.35Å
742	I	36.6	Very low	45.6	Very low	113 Å²	113	136 Å²	136	58%	0.579	64%	0.639	S	S	*	*			trans	-84	101.8	179.6	-64.8	172.7	0	0	0	110.1	Y744	I742-Y744 HydrophobicContact CG2-CD2 3.26Å; I742-Y744 HydrophobicContact CG2-CE2 3.22Å; I742-Y744 HydrophobicContact CG2-CG 4.43Å; I742-Y744 PolarHBondContact O-N 3.29Å; I742-Y744 VanDerWaalsContact O-N 3.07Å
743	G	36.7	Very low	44.6	Very low	77 Å²	77	142 Å²	142	79%	0.794	66%	0.656	S	S	*	*			trans	-78.3	59.3	-171.6	0	0	0	0	0	117.1	Q741	Q741-G743 PolarHBondContact O-N 3.35Å
744	Y	51.3	Low	43.5	Very low	127 Å²	127	149 Å²	149	50%	0.498	68%	0.683	S	S	.	*			trans	-100.1	65.9	171.1	-62.6	-67.3	0	0	0	111.9	N430 I742	N430-Y744 PolarHBondContact OD1-O 2.95Å; I742-Y744 HydrophobicContact CG2-CD2 3.26Å; I742-Y744 HydrophobicContact CG2-CE2 3.22Å; I742-Y744 HydrophobicContact CG2-CG 4.43Å; I742-Y744 PolarHBondContact O-N 3.29Å; I742-Y744 VanDerWaalsContact O-N 3.07Å
745	W	44.7	Very low	42.1	Very low	168 Å²	168	150 Å²	150	64%	0.636	71%	0.709	S	S	*	*			trans	-116.3	113.4	175.2	-160	82	0	0	0	110.9	E747	W745-E747 HydrophobicContact CE3-CB 4.2Å; W745-E747 HydrophobicContact CH2-CB 3.96Å; W745-E747 HydrophobicContact CH2-CG 3.44Å; W745-E747 VanDerWaalsContact CH2-CG 3.44Å; W745-E747 VanDerWaalsContact CH2-OE1 3.32Å; W745-E747 WeakPolarHBondContact CH2-OE1 3.49Å; W745-E747 HydrophobicContact CZ2-CG 4.49Å; W745-E747 HydrophobicContact CZ3-CB 3.54Å; W745-E747 VanDerWaalsContact CZ3-CD 3.44Å; W745-E747 HydrophobicContact CZ3-CG 3.45Å; W745-E747 VanDerWaalsContact CZ3-CG 3.45Å; W745-E747 WeakPolarHBondContact CZ3-OE1 3.36Å
746	I	53.9	Low	41.1	Very low	49 Å²	49	152 Å²	152	25%	0.251	73%	0.729	S	S	.	*			trans	-111.3	119.8	176.8	-41.9	166	0	0	0	108.6	I426 V429 N430 F675 P748	I426-I746 HydrophobicContact CD1-CB 3.56Å; I426-I746 HydrophobicContact CD1-CG2 3.18Å; I426-I746 HydrophobicContact CG1-CB 3.66Å; I426-I746 HydrophobicContact CG1-CG2 3.85Å; V429-I746 HydrophobicContact CG1-CD1 4.27Å; N430-I746 WeakPolarHBondContact ND2-CA 3.33Å; N430-I746 PolarHBondContact ND2-N 2.82Å; N430-I746 PolarHBondContact ND2-O 3.41Å; N430-I746 WeakPolarHBondContact OD1-CD1 3.4Å; N430-I746 WeakPolarHBondContact OD1-CG1 3.31Å; N430-I746 PolarHBondContact OD1-N 3.19Å; F675-I746 HydrophobicContact CE2-CD1 3.83Å; F675-I746 HydrophobicContact CZ-CD1 4.37Å; I746-P748 WeakPolarHBondContact O-CD 3.24Å
747	E	43.6	Very low	40.6	Very low	145 Å²	145	158.5 Å²	158.5	68%	0.678	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-76.6	123.3	-165.9	-161.7	159.8	-142.3	0	0	114.2	W745	W745-E747 HydrophobicContact CE3-CB 4.2Å; W745-E747 HydrophobicContact CH2-CB 3.96Å; W745-E747 HydrophobicContact CH2-CG 3.44Å; W745-E747 VanDerWaalsContact CH2-CG 3.44Å; W745-E747 VanDerWaalsContact CH2-OE1 3.32Å; W745-E747 WeakPolarHBondContact CH2-OE1 3.49Å; W745-E747 HydrophobicContact CZ2-CG 4.49Å; W745-E747 HydrophobicContact CZ3-CB 3.54Å; W745-E747 VanDerWaalsContact CZ3-CD 3.44Å; W745-E747 HydrophobicContact CZ3-CG 3.45Å; W745-E747 VanDerWaalsContact CZ3-CG 3.45Å; W745-E747 WeakPolarHBondContact CZ3-OE1 3.36Å
748	P	45.4	Very low	40.4	Very low	64 Å²	64	160 Å²	160	42%	0.416	75%	0.75	S	S	.	*	P	Polyproline II helix	trans	-85	144.2	179.5	-1.7	16.7	0	0	0	115.2	I426 I746	I426-P748 HydrophobicContact CG2-CB 3.51Å; I426-P748 HydrophobicContact CG2-CG 3.83Å; I746-P748 WeakPolarHBondContact O-CD 3.24Å
749	P	46.4	Very low	40.5	Very low	122 Å²	122	161.4 Å²	161.4	79%	0.792	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-84.1	143.9	166.3	30.3	-30.1	0	0	0	114.2
750	K	41.5	Very low	41.2	Very low	215 Å²	215	156.9 Å²	156.9	94%	0.935	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-82.5	133.8	-169.7	-70.7	176.7	174.9	175.7	0	116.4
751	R	35.7	Very low	42	Very low	257 Å²	257	151.9 Å²	151.9	97%	0.97	75%	0.753	S	S	*	*			trans	-159.8	147.3	164.3	-141	175.6	-178.5	-174.6	-0.1	116.3
752	E	33.6	Very low	43.1	Very low	195 Å²	195	153.1 Å²	153.1	91%	0.911	75%	0.751	S	S	*	*			trans	-96.2	164.3	-169.8	-64.4	177.7	152.3	0	0	118
753	R	32.1	Very low	44.2	Very low	252 Å²	252	155.5 Å²	155.5	95%	0.951	76%	0.758	S	S	*	*			trans	-144	156.2	177	-89.7	-171.7	175.4	-176.3	-2	115.8
754	K	36.2	Very low	45.2	Very low	220 Å²	220	162.6 Å²	162.6	96%	0.957	76%	0.76	S	S	*	*			trans	-136.3	155.8	167.7	-75.6	-173.4	177.1	-178.8	0	112.7
755	A	36.3	Very low	45.5	Very low	105 Å²	105	164.3 Å²	164.3	87%	0.868	78%	0.778	S	S	*	*			trans	-141.1	162.6	179.7	0	0	0	0	0	113.4
756	N	35.4	Very low	46.1	Very low	172 Å²	172	160.4 Å²	160.4	92%	0.92	78%	0.782	S	S	*	*			trans	-146.8	152.5	-177.7	-137.6	18.1	0	0	0	114.5
757	Y	40.5	Very low	46.1	Very low	229 Å²	229	165.5 Å²	165.5	90%	0.898	81%	0.809	S	S	*	*			trans	-116.7	162.6	-171.7	-114	-98	0	0	0	113.8
758	Q	44.4	Very low	46.2	Very low	178 Å²	178	170.7 Å²	170.7	83%	0.832	82%	0.822	S	S	*	*			trans	-124	157.4	-177.2	-91.7	178.8	-18.1	0	0	115.5
759	V	44.8	Very low	46.2	Very low	117 Å²	117	174.2 Å²	174.2	71%	0.709	85%	0.845	S	S	*	*			trans	-111.7	-2.6	-154.6	170.2	0	0	0	0	116.3	A761	V759-A761 VanDerWaalsContact C-N 3.31Å; V759-A761 PolarHBondContact O-N 3.2Å
760	D	55.7	Low	46	Very low	125 Å²	125	177.8 Å²	177.8	67%	0.668	85%	0.851	S	S	*	*	G	3₁₀ helix	trans	-72.3	-4.9	-162.6	-64.3	-40.9	0	0	0	117.7	Y762	D760-Y762 PolarHBondContact O-N 3.43Å
761	A	54.8	Low	46	Very low	91 Å²	91	174.8 Å²	174.8	75%	0.752	85%	0.85	S	S	*	*	G	3₁₀ helix	trans	-75.2	-21	-176.1	0	0	0	0	0	114.9	V759 F763	V759-A761 VanDerWaalsContact C-N 3.31Å; V759-A761 PolarHBondContact O-N 3.2Å; A761-F763 PolarHBondContact O-N 3.38Å
762	Y	55.8	Low	46.4	Very low	195 Å²	195	171.7 Å²	171.7	77%	0.765	85%	0.846	S	S	*	*	G	3₁₀ helix	trans	-74.7	-23.6	-168.7	-176.4	-104.4	0	0	0	115.2	D760	D760-Y762 PolarHBondContact O-N 3.43Å
763	F	58.5	Low	46.8	Very low	163 Å²	163	168.9 Å²	168.9	72%	0.715	85%	0.845	S	S	*	*	G	3₁₀ helix	trans	-87.2	-9	-168.3	-76.8	-78.7	0	0	0	115.9	A761	A761-F763 PolarHBondContact O-N 3.38Å
764	R	58.9	Low	47.3	Very low	225 Å²	225	167.6 Å²	167.6	85%	0.849	85%	0.846	S	S	*	*	S	Bend	trans	-85.1	-21.3	-168.3	-120.4	-174.2	-76.8	177.4	-3.8	115.8
765	D	56.8	Low	47.8	Very low	163 Å²	163	162 Å²	162	87%	0.872	84%	0.841	S	S	*	*	S	Bend	trans	-89.6	-9.1	-169.1	-90.2	-12	0	0	0	116.3	L767	D765-L767 PolarHBondContact O-N 3Å
766	A	58.3	Low	48.4	Very low	86 Å²	86	163.3 Å²	163.3	71%	0.711	84%	0.841	S	S	*	*	S	Bend	trans	-87.6	9.4	-160.3	0	0	0	0	0	118.4
767	L	53.3	Low	49	Very low	157 Å²	157	165 Å²	165	82%	0.822	84%	0.84	S	S	*	*			trans	-138.3	36.2	-154.9	-79.1	162.7	0	0	0	122.4	D765	D765-L767 PolarHBondContact O-N 3Å
768	R	45.7	Very low	49.8	Very low	254 Å²	254	157.4 Å²	157.4	96%	0.958	82%	0.824	S	S	*	*			trans	-147.2	134	170.9	-77	-170.1	177.1	-175.8	-0.7	119.4
769	P	45.6	Very low	50.4	Low	137 Å²	137	153.7 Å²	153.7	89%	0.89	82%	0.816	S	S	*	*			trans	-130.9	173.2	171.1	29	-7.5	0	0	0	121.1
770	H	41.9	Very low	51	Low	198 Å²	198	156.9 Å²	156.9	92%	0.917	82%	0.82	S	S	*	*			trans	-113.9	-178.7	-155.8	-79.2	-87.7	0	0	0	122.8
771	V	42.5	Very low	51.4	Low	151 Å²	151	153.6 Å²	153.6	92%	0.915	81%	0.806	S	S	*	*			trans	-142.1	155.8	-174.6	-177.6	0	0	0	0	118
772	E	42.7	Very low	51.9	Low	192 Å²	192	153.6 Å²	153.6	90%	0.897	80%	0.798	S	S	*	*			trans	-121.9	0	-168.5	-65.9	-173.8	161.4	0	0	122.5
773	P	42.5	Very low	52.1	Low	136 Å²	136	156.5 Å²	156.5	88%	0.883	81%	0.808	S	S	*	*				0	0	0	40.6	-21.9	0	0	0	124.2
774	K	42.6	Very low	52.7	Low	225 Å²	225	152.2 Å²	152.2	98%	0.978	79%	0.79	S	S	*	*				0	168.4	0	-71.3	-179.3	178.6	176.2	0	122.3
775	A	47.6	Very low	53.3	Low	102 Å²	102	144.5 Å²	144.5	84%	0.843	77%	0.769	S	S	*	*			trans	-90.2	173.6	-159.1	0	0	0	0	0	124.2
776	P	47.1	Very low	54	Low	134 Å²	134	141.5 Å²	141.5	87%	0.87	76%	0.758	S	S	*	*			trans	-106.1	167.7	-150.6	40.1	-35.5	0	0	0	123.2
777	K	48.3	Very low	55	Low	208 Å²	208	139.1 Å²	139.1	90%	0.904	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-100.5	161.5	-172	-68.3	173.2	177.5	173.9	0	116.4
778	A	57.8	Low	56.5	Low	68 Å²	68	135.5 Å²	135.5	56%	0.562	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-59.8	151.6	-179.7	0	0	0	0	0	115.9
779	P	57.8	Low	58.4	Low	100 Å²	100	126.4 Å²	126.4	65%	0.649	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-68.4	135.8	-175.6	-11.9	25.9	0	0	0	112.6
780	K	57.1	Low	60.5	Low	184 Å²	184	120.1 Å²	120.1	80%	0.8	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-80.4	139.9	-177.2	-65.6	178.1	179.2	176.7	0	111.4	Y808	K780-Y808 PolarHBondContact O-OH 3.5Å
781	P	64.6	Low	62.8	Low	56 Å²	56	111.1 Å²	111.1	36%	0.364	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-60.6	165	166.2	25.6	-32.2	0	0	0	111.6	R783 Y808	P781-R783 PolarHBondContact O-N 3.49Å; P781-Y808 VanDerWaalsContact CA-CE1 3.43Å; P781-Y808 HydrophobicContact CB-CD1 3.61Å; P781-Y808 HydrophobicContact CB-CE1 3.82Å; P781-Y808 HydrophobicContact CB-CG 4.18Å
782	P	64.9	Low	65	Low	92 Å²	92	104 Å²	104	60%	0.597	56%	0.556	S	S	*	*	S	Bend	trans	-49.1	139.1	173.3	-23.8	32.2	0	0	0	111	Q784 Y808	P782-Q784 PolarHBondContact O-N 2.98Å; P782-Y808 HydrophobicContact CG-CD2 4.41Å; P782-Y808 HydrophobicContact CG-CE2 4.34Å
783	R	59.5	Low	67.2	Low	255 Å²	255	96 Å²	96	96%	0.962	52%	0.518	S	S	*	.			trans	-59.6	107	-172.6	-74.4	-171.8	178.3	-150.9	3	111.3	P781	P781-R783 PolarHBondContact O-N 3.49Å
784	Q	71	Confident	69.3	Low	74 Å²	74	90.9 Å²	90.9	35%	0.346	49%	0.485	S	S	.	.			trans	-80.8	145.8	165.5	-64.5	174.9	-13.5	0	0	109.5	P782 Y801	P782-Q784 PolarHBondContact O-N 2.98Å; Q784-Y801 HydrophobicContact CB-CD1 4.38Å; Q784-Y801 HydrophobicContact CB-CE1 4.11Å; Q784-Y801 VanDerWaalsContact CD-CD1 3.43Å; Q784-Y801 HydrophobicContact CG-CD1 3.8Å; Q784-Y801 HydrophobicContact CG-CE1 3.8Å
785	P	71.6	Confident	71.2	Confident	62 Å²	62	84.7 Å²	84.7	40%	0.403	47%	0.467	S	S	.	.			trans	-58.1	139.9	173.1	-20.1	31.3	0	0	0	111	I787 Y801 L856	P785-I787 PolarHBondContact O-N 2.93Å; P785-Y801 WeakPolarHBondContact CD-OH 3.41Å; P785-L856 HydrophobicContact CG-CD2 4.34Å
786	P	70.9	Confident	73.1	Confident	101 Å²	101	84.3 Å²	84.3	66%	0.656	44%	0.444	S	S	*	.			trans	-67.5	114.5	175.1	27.1	-32.1	0	0	0	110
787	I	80.1	Confident	75	Confident	36 Å²	36	77.9 Å²	77.9	19%	0.185	40%	0.403	C	S	.	.			trans	-101.6	123	179	-62.1	166.4	0	0	0	109	P785 Y793 L797 M798 Y801	P785-I787 PolarHBondContact O-N 2.93Å; I787-Y793 HydrophobicContact CB-CD2 4.48Å; I787-Y793 HydrophobicContact CB-CE2 4.47Å; I787-Y793 HydrophobicContact CG1-CD2 4.42Å; I787-Y793 HydrophobicContact CG1-CE2 4.21Å; I787-Y793 HydrophobicContact CG2-CD2 3.5Å; I787-Y793 VanDerWaalsContact CG2-CD2 3.5Å; I787-Y793 HydrophobicContact CG2-CE2 3.92Å; I787-Y793 HydrophobicContact CG2-CG 4.35Å; I787-L797 HydrophobicContact CD1-CD2 4.16Å; I787-M798 HydrophobicContact CB-CE 3.98Å; I787-M798 HydrophobicContact CB-SD 4.47Å; I787-M798 HydrophobicContact CD1-SD 4.08Å; I787-M798 HydrophobicContact CG2-CE 3.3Å; I787-M798 HydrophobicContact CG2-SD 4.08Å; I787-Y801 HydrophobicContact CD1-CD2 3.6Å; I787-Y801 HydrophobicContact CD1-CE2 3.36Å
788	H	84.4	Confident	76.6	Confident	81 Å²	81	72.4 Å²	72.4	38%	0.375	38%	0.381	S	S	.	.			trans	-112.7	158.5	173.8	-61.5	-64.1	0	0	0	111.3	F790 H791	H788-F790 VanDerWaalsContact C-N 3.33Å; H788-F790 HydrophobicContact CB-CD1 3.6Å; H788-F790 HydrophobicContact CB-CD2 4.45Å; H788-F790 HydrophobicContact CB-CE1 3.2Å; H788-F790 HydrophobicContact CB-CE2 4.12Å; H788-F790 HydrophobicContact CB-CG 4.21Å; H788-F790 HydrophobicContact CB-CZ 3.49Å; H788-F790 VanDerWaalsContact CB-CZ 3.49Å; H788-F790 AromaticContact CD2-CE1 3.87Å; H788-F790 AromaticContact CD2-CZ 3.5Å; H788-F790 VanDerWaalsContact CD2-CZ 3.5Å; H788-F790 WeakPolarHBondContact CD2-CZ 3.39Å; H788-F790 AromaticContact CG-CE1 3.51Å; H788-F790 AromaticContact CG-CZ 3.62Å; H788-F790 PolarHBondContact O-N 3.07Å; H788-H791 AromaticContact CD2-CE1 3.68Å; H788-H791 PolarHBondContact N-ND1 3.25Å; H788-H791 VanDerWaalsContact N-ND1 3.16Å; H788-H791 WeakPolarHBondContact O-CB 3.29Å; H788-H791 PolarHBondContact O-N 2.97Å; H788-H791 VanDerWaalsContact O-N 3.13Å
789	D	86	Confident	77.9	Confident	62 Å²	62	76.7 Å²	76.7	33%	0.332	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-60.7	-39.1	178.4	53.5	-5.7	0	0	0	112.5	H791 F792 L912 N913	D789-H791 PolarHBondContact O-N 3.23Å; D789-H791 VanDerWaalsContact O-N 3.11Å; D789-F792 PolarHBondContact O-N 3.14Å; D789-F792 VanDerWaalsContact O-N 3.12Å; D789-L912 HydrophobicContact CB-CD2 4.19Å; D789-N913 PolarHBondContact OD2-N 3.28Å; D789-N913 PolarHBondContact OD2-ND2 3.39Å
790	F	89.3	Confident	79.4	Confident	5 Å²	5	71.9 Å²	71.9	2%	0.022	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-67.2	-5.4	175.6	64.6	-99.5	0	0	0	114.9	H788 F792 W863 R865 F868 Y901 L912	H788-F790 VanDerWaalsContact C-N 3.33Å; H788-F790 HydrophobicContact CB-CD1 3.6Å; H788-F790 HydrophobicContact CB-CD2 4.45Å; H788-F790 HydrophobicContact CB-CE1 3.2Å; H788-F790 HydrophobicContact CB-CE2 4.12Å; H788-F790 HydrophobicContact CB-CG 4.21Å; H788-F790 HydrophobicContact CB-CZ 3.49Å; H788-F790 VanDerWaalsContact CB-CZ 3.49Å; H788-F790 AromaticContact CD2-CE1 3.87Å; H788-F790 AromaticContact CD2-CZ 3.5Å; H788-F790 VanDerWaalsContact CD2-CZ 3.5Å; H788-F790 WeakPolarHBondContact CD2-CZ 3.39Å; H788-F790 AromaticContact CG-CE1 3.51Å; H788-F790 AromaticContact CG-CZ 3.62Å; H788-F790 PolarHBondContact O-N 3.07Å; F790-F792 WeakPolarHBondContact O-CD2 3.38Å; F790-W863 WeakPolarHBondContact CE2-O 3.43Å; F790-R865 HydrophobicContact CE1-CB 4.04Å; F790-R865 HydrophobicContact CE1-CG 4.17Å; F790-R865 HydrophobicContact CZ-CB 3.89Å; F790-F868 HydrophobicContact CB-CB 4.41Å; F790-F868 HydrophobicContact CB-CD1 4.23Å; F790-F868 HydrophobicContact CB-CD2 3.91Å; F790-F868 HydrophobicContact CB-CE1 4.48Å; F790-F868 HydrophobicContact CB-CE2 4.15Å; F790-F868 HydrophobicContact CB-CG 3.92Å; F790-F868 HydrophobicContact CB-CZ 4.42Å; F790-F868 HydrophobicContact CD1-CD1 4.32Å; F790-F868 HydrophobicContact CD2-CB 4.2Å; F790-F868 HydrophobicContact CG-CB 4.21Å; F790-F868 HydrophobicContact CG-CD1 4.34Å; F790-F868 HydrophobicContact CG-CG 4.13Å; F790-Y901 WeakPolarHBondContact O-CE2 3.49Å; F790-Y901 PolarHBondContact O-OH 2.96Å; F790-L912 HydrophobicContact CB-CD2 4.15Å
791	H	89.8	Confident	80.8	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.042	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-84.1	-13.8	171.8	-63.4	152.2	0	0	0	113.5	H788 D789 Y793 G859 F860 W863	H788-H791 AromaticContact CD2-CE1 3.68Å; H788-H791 PolarHBondContact N-ND1 3.25Å; H788-H791 VanDerWaalsContact N-ND1 3.16Å; H788-H791 WeakPolarHBondContact O-CB 3.29Å; H788-H791 PolarHBondContact O-N 2.97Å; H788-H791 VanDerWaalsContact O-N 3.13Å; D789-H791 PolarHBondContact O-N 3.23Å; D789-H791 VanDerWaalsContact O-N 3.11Å; H791-Y793 VanDerWaalsContact C-N 3.35Å; H791-Y793 HydrophobicContact CB-CD2 3.5Å; H791-Y793 VanDerWaalsContact CB-CD2 3.5Å; H791-Y793 HydrophobicContact CB-CE2 3.29Å; H791-Y793 AromaticContact CG-CE2 3.81Å; H791-Y793 AromaticContact ND1-CE2 3.69Å; H791-Y793 PolarHBondContact O-N 3.28Å; H791-G859 WeakPolarHBondContact O-CA 3.46Å; H791-F860 PolarHBondContact CD2-O 2.9Å; H791-F860 PolarHBondContact O-N 3.43Å; H791-W863 PolarHBondContact CD2-O 3.14Å; H791-W863 PolarHBondContact NE2-O 2.89Å
792	F	90.2	Very high	81.8	Confident	3 Å²	3	66.4 Å²	66.4	1%	0.013	32%	0.324	C	S	.	.			trans	55.3	38.9	178.1	-59.1	-72.2	0	0	0	114.9	D789 F790 F860 Y901 T904 F905 R908 L912	D789-F792 PolarHBondContact O-N 3.14Å; D789-F792 VanDerWaalsContact O-N 3.12Å; F790-F792 WeakPolarHBondContact O-CD2 3.38Å; F792-F860 HydrophobicContact CB-CD2 4.47Å; F792-F860 HydrophobicContact CD2-CD2 4.18Å; F792-Y901 HydrophobicContact CD2-CE2 4.28Å; F792-Y901 HydrophobicContact CE2-CE2 4.08Å; F792-T904 HydrophobicContact CB-CG2 4.27Å; F792-T904 HydrophobicContact CD2-CG2 4.25Å; F792-T904 HydrophobicContact CG-CG2 4.21Å; F792-F905 HydrophobicContact CE2-CB 4.47Å; F792-F905 HydrophobicContact CZ-CD2 4.17Å; F792-R908 HydrophobicContact CD1-CB 3.69Å; F792-R908 HydrophobicContact CE1-CB 3.77Å; F792-R908 WeakPolarHBondContact CE1-O 3.18Å; F792-R908 VanDerWaalsContact O-CZ 3.31Å; F792-R908 PolarHBondContact O-NH1 2.8Å; F792-R908 PolarHBondContact O-NH2 3.11Å; F792-R908 VanDerWaalsContact O-NH2 3.17Å; F792-L912 HydrophobicContact CE1-CD2 4.25Å; F792-L912 HydrophobicContact CE1-CG 4.24Å; F792-L912 HydrophobicContact CZ-CD1 4.29Å; F792-L912 HydrophobicContact CZ-CD2 4.17Å; F792-L912 HydrophobicContact CZ-CG 4.25Å
793	Y	88.1	Confident	82.9	Confident	24 Å²	24	64.5 Å²	64.5	9%	0.094	31%	0.307	C	S	.	.			trans	-66.5	152.2	172.9	-68.8	-82.8	0	0	0	112.1	I787 H791 L797 L856 S861 R908	I787-Y793 HydrophobicContact CB-CD2 4.48Å; I787-Y793 HydrophobicContact CB-CE2 4.47Å; I787-Y793 HydrophobicContact CG1-CD2 4.42Å; I787-Y793 HydrophobicContact CG1-CE2 4.21Å; I787-Y793 HydrophobicContact CG2-CD2 3.5Å; I787-Y793 VanDerWaalsContact CG2-CD2 3.5Å; I787-Y793 HydrophobicContact CG2-CE2 3.92Å; I787-Y793 HydrophobicContact CG2-CG 4.35Å; H791-Y793 VanDerWaalsContact C-N 3.35Å; H791-Y793 HydrophobicContact CB-CD2 3.5Å; H791-Y793 VanDerWaalsContact CB-CD2 3.5Å; H791-Y793 HydrophobicContact CB-CE2 3.29Å; H791-Y793 AromaticContact CG-CE2 3.81Å; H791-Y793 AromaticContact ND1-CE2 3.69Å; H791-Y793 PolarHBondContact O-N 3.28Å; Y793-L797 HydrophobicContact CD1-CD2 3.55Å; Y793-L797 HydrophobicContact CE1-CD2 4.19Å; Y793-L797 HydrophobicContact CG-CD2 3.86Å; Y793-L856 HydrophobicContact CE1-CD2 4.42Å; Y793-L856 WeakPolarHBondContact CE1-O 3.44Å; Y793-S861 WeakPolarHBondContact OH-CB 3.29Å; Y793-R908 PolarHBondContact O-NH2 2.86Å
794	P	85.9	Confident	84.1	Confident	28 Å²	28	54.5 Å²	54.5	18%	0.182	27%	0.272	C	S	.	.			trans	-66.2	141.4	174.9	-22.4	34.8	0	0	0	112.7	R796 L797 L855 K858	P794-R796 PolarHBondContact O-N 3.35Å; P794-L797 WeakPolarHBondContact O-CB 3.32Å; P794-L797 PolarHBondContact O-N 2.97Å; P794-L855 HydrophobicContact CB-CD2 3.97Å; P794-L855 HydrophobicContact CG-CD2 3.87Å; P794-K858 HydrophobicContact CG-CB 4.31Å; P794-K858 HydrophobicContact CG-CD 4.44Å
795	P	83	Confident	84.8	Confident	95 Å²	95	52.3 Å²	52.3	62%	0.617	26%	0.263	S	S	*	.	H	α-helix	trans	-56.6	-25.3	-177.3	-28	34.4	0	0	0	115.5	L797 M798	P795-L797 VanDerWaalsContact C-N 3.28Å; P795-L797 PolarHBondContact O-N 3.3Å; P795-M798 PolarHBondContact O-N 3.49Å
796	R	87.3	Confident	85.5	Confident	93 Å²	93	51.6 Å²	51.6	35%	0.351	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-32	177.9	-178.1	60.6	173	166.5	8.8	112.7	P794 M798 R799 L800 E851 L855	P794-R796 PolarHBondContact O-N 3.35Å; R796-M798 PolarHBondContact O-N 3.06Å; R796-R799 PolarHBondContact O-N 3.35Å; R796-L800 PolarHBondContact O-N 3.49Å; R796-E851 WeakPolarHBondContact CG-OE1 3.13Å; R796-E851 IonicContact CZ-OE1 3.67Å; R796-E851 IonicContact CZ-OE2 3.32Å; R796-E851 IonicContact NE-OE1 3.84Å; R796-E851 PolarHBondContact NE-OE1 3.22Å; R796-E851 IonicContact NE-OE2 3.53Å; R796-E851 PolarHBondContact NE-OE2 2.86Å; R796-E851 IonicContact NH2-OE1 2.74Å; R796-E851 IonicContact NH2-OE2 3.7Å; R796-E851 PolarHBondContact NH2-OE2 3.11Å; R796-L855 HydrophobicContact CB-CD1 3.78Å; R796-L855 HydrophobicContact CG-CD1 3.62Å
797	L	86.8	Confident	86.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-41.4	178.7	-178.5	61	0	0	0	111.7	I787 Y793 P794 P795 R799 L800 Y801 K852 L855 L856	I787-L797 HydrophobicContact CD1-CD2 4.16Å; Y793-L797 HydrophobicContact CD1-CD2 3.55Å; Y793-L797 HydrophobicContact CE1-CD2 4.19Å; Y793-L797 HydrophobicContact CG-CD2 3.86Å; P794-L797 WeakPolarHBondContact O-CB 3.32Å; P794-L797 PolarHBondContact O-N 2.97Å; P795-L797 VanDerWaalsContact C-N 3.28Å; P795-L797 PolarHBondContact O-N 3.3Å; L797-R799 VanDerWaalsContact C-N 3.31Å; L797-R799 PolarHBondContact O-N 3.06Å; L797-L800 PolarHBondContact O-N 3.32Å; L797-Y801 HydrophobicContact CD1-CD2 4.03Å; L797-Y801 HydrophobicContact CD1-CE2 3.57Å; L797-Y801 HydrophobicContact CD2-CE2 4.11Å; L797-Y801 HydrophobicContact CG-CD2 3.92Å; L797-Y801 HydrophobicContact CG-CE2 3.67Å; L797-Y801 WeakPolarHBondContact O-CD2 3.31Å; L797-Y801 PolarHBondContact O-N 3.42Å; L797-Y801 VanDerWaalsContact O-N 3.13Å; L797-K852 HydrophobicContact CD1-CG 3.94Å; L797-L855 HydrophobicContact CB-CB 4.06Å; L797-L855 HydrophobicContact CB-CD1 4.31Å; L797-L855 HydrophobicContact CD1-CB 4.05Å; L797-L855 HydrophobicContact CG-CB 4.47Å; L797-L856 HydrophobicContact CD1-CG 4.02Å; L797-L856 HydrophobicContact CD2-CD2 4.01Å; L797-L856 HydrophobicContact CD2-CG 4.18Å
798	M	82.9	Confident	86.5	Confident	93 Å²	93	52.4 Å²	52.4	46%	0.458	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-39.3	179.2	-67.4	-59.5	-151.1	0	0	111.9	I787 P795 R796 L800 Y801 E802	I787-M798 HydrophobicContact CB-CE 3.98Å; I787-M798 HydrophobicContact CB-SD 4.47Å; I787-M798 HydrophobicContact CD1-SD 4.08Å; I787-M798 HydrophobicContact CG2-CE 3.3Å; I787-M798 HydrophobicContact CG2-SD 4.08Å; P795-M798 PolarHBondContact O-N 3.49Å; R796-M798 PolarHBondContact O-N 3.06Å; M798-L800 PolarHBondContact O-N 3.06Å; M798-Y801 PolarHBondContact O-N 2.95Å; M798-E802 PolarHBondContact O-N 3.23Å
799	R	85.8	Confident	86.6	Confident	157 Å²	157	51.6 Å²	51.6	59%	0.592	24%	0.235	S	C	*	.	H	α-helix	trans	-64.3	-39.5	177.1	-64.5	-174.2	-174.3	170.7	2.6	112.3	R796 L797 E802 M803	R796-R799 PolarHBondContact O-N 3.35Å; L797-R799 VanDerWaalsContact C-N 3.31Å; L797-R799 PolarHBondContact O-N 3.06Å; R799-E802 PolarHBondContact O-N 2.93Å; R799-M803 WeakPolarHBondContact O-CG 3.43Å; R799-M803 PolarHBondContact O-N 3.44Å; R799-M803 VanDerWaalsContact O-N 3.11Å
800	L	88	Confident	86.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-39.6	177.3	-66.3	172.4	0	0	0	111.5	R796 L797 M798 M803 E804 L844 E848 E851 K852 L855	R796-L800 PolarHBondContact O-N 3.49Å; L797-L800 PolarHBondContact O-N 3.32Å; M798-L800 PolarHBondContact O-N 3.06Å; L800-M803 PolarHBondContact O-N 3.26Å; L800-E804 PolarHBondContact O-N 3.21Å; L800-L844 HydrophobicContact CD2-CD2 3.89Å; L800-E848 HydrophobicContact CD2-CB 4Å; L800-E848 HydrophobicContact CD2-CG 4.44Å; L800-E851 HydrophobicContact CD1-CB 4.34Å; L800-E851 HydrophobicContact CD1-CG 4.25Å; L800-K852 HydrophobicContact CD1-CB 3.86Å; L800-L855 HydrophobicContact CD1-CD1 4.14Å
801	Y	87.1	Confident	86.3	Confident	12 Å²	12	56.8 Å²	56.8	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-40	174.8	-80.3	-54.8	0	0	0	113.6	Q784 P785 I787 L797 M798 M803 E804 V805 K852 L856	Q784-Y801 HydrophobicContact CB-CD1 4.38Å; Q784-Y801 HydrophobicContact CB-CE1 4.11Å; Q784-Y801 VanDerWaalsContact CD-CD1 3.43Å; Q784-Y801 HydrophobicContact CG-CD1 3.8Å; Q784-Y801 HydrophobicContact CG-CE1 3.8Å; P785-Y801 WeakPolarHBondContact CD-OH 3.41Å; I787-Y801 HydrophobicContact CD1-CD2 3.6Å; I787-Y801 HydrophobicContact CD1-CE2 3.36Å; L797-Y801 HydrophobicContact CD1-CD2 4.03Å; L797-Y801 HydrophobicContact CD1-CE2 3.57Å; L797-Y801 HydrophobicContact CD2-CE2 4.11Å; L797-Y801 HydrophobicContact CG-CD2 3.92Å; L797-Y801 HydrophobicContact CG-CE2 3.67Å; L797-Y801 WeakPolarHBondContact O-CD2 3.31Å; L797-Y801 PolarHBondContact O-N 3.42Å; L797-Y801 VanDerWaalsContact O-N 3.13Å; M798-Y801 PolarHBondContact O-N 2.95Å; Y801-M803 VanDerWaalsContact C-N 3.32Å; Y801-M803 PolarHBondContact O-N 3.31Å; Y801-E804 PolarHBondContact O-N 3.03Å; Y801-V805 WeakPolarHBondContact O-CG2 3.44Å; Y801-V805 PolarHBondContact O-N 3.43Å; Y801-K852 HydrophobicContact CE1-CD 4.3Å; Y801-L856 HydrophobicContact CE2-CD2 4.44Å; Y801-L856 WeakPolarHBondContact OH-CD1 3.49Å; Y801-L856 WeakPolarHBondContact OH-CD2 3.42Å
802	E	85.8	Confident	86	Confident	113 Å²	113	60 Å²	60	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-43.8	173.6	-83	-176.4	164.2	0	0	111.5	M798 R799 E804 V805 Y806	M798-E802 PolarHBondContact O-N 3.23Å; R799-E802 PolarHBondContact O-N 2.93Å; E802-E804 VanDerWaalsContact C-N 3.35Å; E802-E804 PolarHBondContact O-N 3.24Å; E802-V805 PolarHBondContact O-N 3.38Å; E802-Y806 HydrophobicContact CB-CD2 4.46Å; E802-Y806 HydrophobicContact CB-CE2 4.18Å; E802-Y806 WeakPolarHBondContact O-CD2 3.42Å; E802-Y806 PolarHBondContact O-N 2.91Å
803	M	86.5	Confident	85.5	Confident	51 Å²	51	62.6 Å²	62.6	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-43	176.7	-71.9	175.9	66.8	0	0	112.3	R799 L800 Y801 Y806 Y807 L844	R799-M803 WeakPolarHBondContact O-CG 3.43Å; R799-M803 PolarHBondContact O-N 3.44Å; R799-M803 VanDerWaalsContact O-N 3.11Å; L800-M803 PolarHBondContact O-N 3.26Å; Y801-M803 VanDerWaalsContact C-N 3.32Å; Y801-M803 PolarHBondContact O-N 3.31Å; M803-Y806 PolarHBondContact O-N 3.44Å; M803-Y807 WeakPolarHBondContact O-CB 3.44Å; M803-Y807 PolarHBondContact O-N 3.03Å; M803-L844 HydrophobicContact CB-CD2 4.07Å; M803-L844 HydrophobicContact CE-CD2 3.93Å; M803-L844 HydrophobicContact SD-CD2 4.24Å
804	E	86	Confident	85.1	Confident	46 Å²	46	64.5 Å²	64.5	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-41.4	175.1	-74.9	-178.2	161.1	0	0	113	L800 Y801 E802 Y807 Y808 L844 K852	L800-E804 PolarHBondContact O-N 3.21Å; Y801-E804 PolarHBondContact O-N 3.03Å; E802-E804 VanDerWaalsContact C-N 3.35Å; E802-E804 PolarHBondContact O-N 3.24Å; E804-Y807 PolarHBondContact O-N 3.18Å; E804-Y808 WeakPolarHBondContact O-CB 3.43Å; E804-Y808 PolarHBondContact O-N 3.01Å; E804-L844 HydrophobicContact CG-CD1 3.47Å; E804-L844 VanDerWaalsContact CG-CD1 3.47Å; E804-L844 HydrophobicContact CG-CG 4.05Å; E804-L844 WeakPolarHBondContact OE1-CD1 3.27Å; E804-K852 IonicContact OE1-NZ 3.86Å; E804-K852 PolarHBondContact OE1-NZ 2.92Å; E804-K852 IonicContact OE2-NZ 2.89Å; E804-K852 PolarHBondContact OE2-NZ 2.99Å
805	V	84.9	Confident	84.8	Confident	27 Å²	27	71.2 Å²	71.2	16%	0.164	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-43.3	179.3	172.7	0	0	0	0	110.6	Y801 E802 Y808 R809	Y801-V805 WeakPolarHBondContact O-CG2 3.44Å; Y801-V805 PolarHBondContact O-N 3.43Å; E802-V805 PolarHBondContact O-N 3.38Å; V805-Y808 PolarHBondContact O-N 3.38Å; V805-R809 WeakPolarHBondContact O-CB 3.46Å; V805-R809 VanDerWaalsContact O-CG 3.29Å; V805-R809 WeakPolarHBondContact O-CG 3.18Å; V805-R809 PolarHBondContact O-N 2.68Å
806	Y	87.3	Confident	84.6	Confident	48 Å²	48	66.8 Å²	66.8	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-41.1	176.9	-68.1	-48.7	0	0	0	111.8	E802 M803 R809 K810 K837 I838	E802-Y806 HydrophobicContact CB-CD2 4.46Å; E802-Y806 HydrophobicContact CB-CE2 4.18Å; E802-Y806 WeakPolarHBondContact O-CD2 3.42Å; E802-Y806 PolarHBondContact O-N 2.91Å; M803-Y806 PolarHBondContact O-N 3.44Å; Y806-R809 PolarHBondContact O-N 2.63Å; Y806-K810 PolarHBondContact O-N 2.69Å; Y806-K837 HydrophobicContact CD1-CB 4.13Å; Y806-K837 HydrophobicContact CD2-CB 4.34Å; Y806-K837 HydrophobicContact CE1-CB 3.96Å; Y806-K837 HydrophobicContact CE1-CD 4.46Å; Y806-K837 HydrophobicContact CE2-CB 4.16Å; Y806-K837 HydrophobicContact CE2-CD 4.21Å; Y806-K837 HydrophobicContact CG-CB 4.33Å; Y806-I838 HydrophobicContact CD1-CG1 3.94Å
807	Y	87	Confident	84	Confident	90 Å²	90	65.9 Å²	65.9	35%	0.353	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-43	175	-176.7	-108.4	0	0	0	112.1	M803 E804 R809 K810 T811 P843	M803-Y807 WeakPolarHBondContact O-CB 3.44Å; M803-Y807 PolarHBondContact O-N 3.03Å; E804-Y807 PolarHBondContact O-N 3.18Å; Y807-R809 PolarHBondContact O-N 3Å; Y807-K810 WeakPolarHBondContact O-CB 3.17Å; Y807-K810 PolarHBondContact O-N 3.18Å; Y807-K810 VanDerWaalsContact O-N 3.17Å; Y807-T811 HydrophobicContact CD1-CG2 4.38Å; Y807-T811 HydrophobicContact CE1-CG2 3.99Å; Y807-T811 HydrophobicContact CE2-CG2 4.41Å; Y807-T811 WeakPolarHBondContact O-CG2 3.35Å; Y807-T811 PolarHBondContact O-N 3.16Å; Y807-P843 HydrophobicContact CD1-CB 4.38Å; Y807-P843 HydrophobicContact CD2-CB 4.48Å; Y807-P843 HydrophobicContact CE1-CB 3.96Å; Y807-P843 HydrophobicContact CE2-CB 4.08Å; Y807-P843 VanDerWaalsContact CE2-CD 3.48Å; Y807-P843 HydrophobicContact CE2-CG 4.17Å
808	Y	85.3	Confident	83.4	Confident	64 Å²	64	71.5 Å²	71.5	25%	0.251	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-45.4	175.4	179.8	-101	0	0	0	111.8	K780 P781 P782 E804 V805 K810 T811 I812	K780-Y808 PolarHBondContact O-OH 3.5Å; P781-Y808 VanDerWaalsContact CA-CE1 3.43Å; P781-Y808 HydrophobicContact CB-CD1 3.61Å; P781-Y808 HydrophobicContact CB-CE1 3.82Å; P781-Y808 HydrophobicContact CB-CG 4.18Å; P782-Y808 HydrophobicContact CG-CD2 4.41Å; P782-Y808 HydrophobicContact CG-CE2 4.34Å; E804-Y808 WeakPolarHBondContact O-CB 3.43Å; E804-Y808 PolarHBondContact O-N 3.01Å; V805-Y808 PolarHBondContact O-N 3.38Å; Y808-K810 VanDerWaalsContact C-N 3.25Å; Y808-K810 PolarHBondContact O-N 2.9Å; Y808-T811 WeakPolarHBondContact CA-OG1 3.27Å; Y808-T811 PolarHBondContact O-N 3.12Å; Y808-T811 PolarHBondContact O-OG1 3.13Å; Y808-I812 HydrophobicContact CD1-CD1 4.26Å; Y808-I812 HydrophobicContact CE1-CD1 3.87Å; Y808-I812 HydrophobicContact CE1-CG2 4.06Å; Y808-I812 HydrophobicContact CE2-CG2 4.08Å; Y808-I812 WeakPolarHBondContact O-CG1 3.29Å; Y808-I812 PolarHBondContact O-N 3.26Å; Y808-I812 VanDerWaalsContact O-N 3.12Å
809	R	85	Confident	82.7	Confident	64 Å²	64	71.2 Å²	71.2	24%	0.242	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-36.9	176	-74.3	172.9	176.6	-167	-2.2	112.2	V805 Y806 Y807 I812 G813 Y814 E834 I838	V805-R809 WeakPolarHBondContact O-CB 3.46Å; V805-R809 VanDerWaalsContact O-CG 3.29Å; V805-R809 WeakPolarHBondContact O-CG 3.18Å; V805-R809 PolarHBondContact O-N 2.68Å; Y806-R809 PolarHBondContact O-N 2.63Å; Y807-R809 PolarHBondContact O-N 3Å; R809-I812 WeakPolarHBondContact O-CG1 3.41Å; R809-G813 PolarHBondContact O-N 3.24Å; R809-Y814 HydrophobicContact CB-CD1 4.4Å; R809-Y814 HydrophobicContact CG-CD1 4.16Å; R809-Y814 PolarHBondContact O-N 3.3Å; R809-E834 IonicContact CZ-OE1 3.49Å; R809-E834 IonicContact NH1-OE1 2.93Å; R809-E834 PolarHBondContact NH1-OE1 2.95Å; R809-I838 HydrophobicContact CB-CD1 4.09Å; R809-I838 HydrophobicContact CB-CG1 4.01Å; R809-I838 HydrophobicContact CB-CG2 3.97Å
810	K	86.1	Confident	81.8	Confident	93 Å²	93	71.8 Å²	71.8	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-42.5	173.6	-170.5	-179.4	179.1	164.8	0	111.4	Y806 Y807 Y808 I812 G813 I838 D839 A841	Y806-K810 PolarHBondContact O-N 2.69Å; Y807-K810 WeakPolarHBondContact O-CB 3.17Å; Y807-K810 PolarHBondContact O-N 3.18Å; Y807-K810 VanDerWaalsContact O-N 3.17Å; Y808-K810 VanDerWaalsContact C-N 3.25Å; Y808-K810 PolarHBondContact O-N 2.9Å; K810-I812 PolarHBondContact O-N 2.98Å; K810-G813 PolarHBondContact O-N 3.31Å; K810-I838 HydrophobicContact CB-CG2 3.94Å; K810-I838 WeakPolarHBondContact CB-O 3.41Å; K810-I838 WeakPolarHBondContact CD-O 3.2Å; K810-D839 WeakPolarHBondContact CE-O 3.39Å; K810-D839 PolarHBondContact NZ-O 3.49Å; K810-A841 HydrophobicContact CD-CB 4.3Å; K810-A841 WeakPolarHBondContact CD-O 3.45Å; K810-A841 PolarHBondContact NZ-O 3.48Å
811	T	84.5	Confident	81.1	Confident	82 Å²	82	79.1 Å²	79.1	50%	0.503	40%	0.395	S	S	.	.	H	α-helix	trans	-68.4	-31.9	-179.3	60.5	0	0	0	0	114.4	Y807 Y808 G813	Y807-T811 HydrophobicContact CD1-CG2 4.38Å; Y807-T811 HydrophobicContact CE1-CG2 3.99Å; Y807-T811 HydrophobicContact CE2-CG2 4.41Å; Y807-T811 WeakPolarHBondContact O-CG2 3.35Å; Y807-T811 PolarHBondContact O-N 3.16Å; Y808-T811 WeakPolarHBondContact CA-OG1 3.27Å; Y808-T811 PolarHBondContact O-N 3.12Å; Y808-T811 PolarHBondContact O-OG1 3.13Å; T811-G813 VanDerWaalsContact C-N 3.33Å
812	I	83.4	Confident	80.5	Confident	76 Å²	76	80.5 Å²	80.5	39%	0.39	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	2.2	178.8	63.2	171.6	0	0	0	113.6	Y808 R809 K810 Y814	Y808-I812 HydrophobicContact CD1-CD1 4.26Å; Y808-I812 HydrophobicContact CE1-CD1 3.87Å; Y808-I812 HydrophobicContact CE1-CG2 4.06Å; Y808-I812 HydrophobicContact CE2-CG2 4.08Å; Y808-I812 WeakPolarHBondContact O-CG1 3.29Å; Y808-I812 PolarHBondContact O-N 3.26Å; Y808-I812 VanDerWaalsContact O-N 3.12Å; R809-I812 WeakPolarHBondContact O-CG1 3.41Å; K810-I812 PolarHBondContact O-N 2.98Å; I812-Y814 HydrophobicContact CD1-CG 4.49Å; I812-Y814 PolarHBondContact O-N 2.94Å
813	G	78.5	Confident	80	Confident	59 Å²	59	78.8 Å²	78.8	61%	0.608	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	28.5	-175.2	0	0	0	0	0	113.6	R809 K810 T811 K815	R809-G813 PolarHBondContact O-N 3.24Å; K810-G813 PolarHBondContact O-N 3.31Å; T811-G813 VanDerWaalsContact C-N 3.33Å; G813-K815 PolarHBondContact O-N 3.34Å
814	Y	80	Confident	79.5	Confident	64 Å²	64	81.4 Å²	81.4	25%	0.251	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-68.8	119.8	-178.5	178.8	-97.4	0	0	0	110.4	R809 I812 P817 I838	R809-Y814 HydrophobicContact CB-CD1 4.4Å; R809-Y814 HydrophobicContact CG-CD1 4.16Å; R809-Y814 PolarHBondContact O-N 3.3Å; I812-Y814 HydrophobicContact CD1-CG 4.49Å; I812-Y814 PolarHBondContact O-N 2.94Å; Y814-P817 WeakPolarHBondContact OH-CD 3.44Å; Y814-I838 HydrophobicContact CD1-CD1 4.19Å
815	K	80.7	Confident	79.2	Confident	169 Å²	169	85.8 Å²	85.8	74%	0.735	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-90.5	128.3	169.5	-67.6	-173	178.1	-178.2	0	109.2	G813 P817	G813-K815 PolarHBondContact O-N 3.34Å; K815-P817 WeakPolarHBondContact O-CD 3.44Å
816	A	78.5	Confident	78.9	Confident	1 Å²	1	89.5 Å²	89.5	1%	0.008	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-57.7	123	177	0	0	0	0	0	110	Q831 E834 Q835	A816-Q831 HydrophobicContact CB-CG 4.15Å; A816-Q831 WeakPolarHBondContact O-CG 3.38Å; A816-Q831 PolarHBondContact O-NE2 3.26Å; A816-E834 HydrophobicContact CB-CB 4.32Å; A816-E834 HydrophobicContact CB-CG 4.38Å; A816-Q835 VanDerWaalsContact N-OE1 3.07Å
817	P	75	Confident	78.4	Confident	74 Å²	74	87.5 Å²	87.5	48%	0.481	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-69.1	149.9	177.4	27.4	-33.1	0	0	0	110.2	Y814 K815 L819	Y814-P817 WeakPolarHBondContact OH-CD 3.44Å; K815-P817 WeakPolarHBondContact O-CD 3.44Å; P817-L819 PolarHBondContact O-N 2.95Å
818	K	73	Confident	78.1	Confident	118 Å²	118	86.7 Å²	86.7	51%	0.513	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-67.8	124.5	169	-75.5	-174.9	174.3	-170.1	0	108.7	L820	K818-L820 PolarHBondContact O-N 3.31Å
819	L	68.1	Low	78.1	Confident	88 Å²	88	91.1 Å²	91.1	46%	0.461	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-66.6	116.8	168.9	-92.9	98.3	0	0	0	108.8	P817 D821 L822	P817-L819 PolarHBondContact O-N 2.95Å; L819-D821 PolarHBondContact O-N 3.39Å; L819-L822 HydrophobicContact CB-CD1 4.06Å; L819-L822 HydrophobicContact CD2-CD1 4.06Å
820	L	67.7	Low	77.9	Confident	169 Å²	169	93.2 Å²	93.2	89%	0.885	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.3	178.6	-69.9	160.2	0	0	0	112.8	K818	K818-L820 PolarHBondContact O-N 3.31Å
821	D	73.6	Confident	77.8	Confident	153 Å²	153	91 Å²	91	82%	0.818	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.1	-175.2	-56.3	-25.2	0	0	0	113.9	L819	L819-D821 PolarHBondContact O-N 3.39Å
822	L	73.4	Confident	77.9	Confident	41 Å²	41	93.4 Å²	93.4	22%	0.215	48%	0.482	C	S	.	.	S	Bend	trans	-106.2	149.1	180	-76.8	162.5	0	0	0	110.9	L819 A827 K830	L819-L822 HydrophobicContact CB-CD1 4.06Å; L819-L822 HydrophobicContact CD2-CD1 4.06Å; L822-A827 HydrophobicContact CB-CB 4.05Å; L822-K830 HydrophobicContact CD1-CD 3.79Å
823	P	76.7	Confident	78	Confident	78 Å²	78	93.9 Å²	93.9	51%	0.506	48%	0.483	S	S	.	.			trans	-50.4	142.7	170.7	-24.7	33.4	0	0	0	111.2	D825 E826 A827	P823-D825 VanDerWaalsContact C-N 3.26Å; P823-D825 PolarHBondContact O-N 2.94Å; P823-D825 VanDerWaalsContact O-N 3.09Å; P823-E826 PolarHBondContact O-N 3.05Å; P823-A827 WeakPolarHBondContact O-CB 3.5Å; P823-A827 PolarHBondContact O-N 2.73Å
824	P	75.9	Confident	78.2	Confident	105 Å²	105	93.6 Å²	93.6	68%	0.682	47%	0.465	S	S	*	.	H	α-helix	trans	-51	-40.9	-171.3	-27.9	33.2	0	0	0	114.5	E828	P824-E828 WeakPolarHBondContact O-CB 3.24Å; P824-E828 PolarHBondContact O-N 3.41Å
825	D	78.9	Confident	78.4	Confident	138 Å²	138	92.6 Å²	92.6	74%	0.738	46%	0.463	S	S	*	.	H	α-helix	trans	-68.5	-41.3	-179.3	-67	-17.6	0	0	0	112.8	P823 K829	P823-D825 VanDerWaalsContact C-N 3.26Å; P823-D825 PolarHBondContact O-N 2.94Å; P823-D825 VanDerWaalsContact O-N 3.09Å; D825-K829 WeakPolarHBondContact O-CB 3.33Å; D825-K829 PolarHBondContact O-N 3.31Å
826	E	78.7	Confident	78.8	Confident	106 Å²	106	91.1 Å²	91.1	50%	0.495	45%	0.453	S	S	.	.	H	α-helix	trans	-72.7	-38.5	176.3	-74.3	-165.3	176.8	0	0	111.8	P823 E828 K829 K830	P823-E826 PolarHBondContact O-N 3.05Å; E826-E828 VanDerWaalsContact C-N 3.29Å; E826-E828 PolarHBondContact O-N 3.39Å; E826-K829 PolarHBondContact O-N 2.94Å; E826-K830 WeakPolarHBondContact O-CB 3.44Å; E826-K830 PolarHBondContact O-N 3.24Å
827	A	76.7	Confident	79.2	Confident	6 Å²	6	94.8 Å²	94.8	5%	0.05	47%	0.468	C	S	.	.	H	α-helix	trans	-59.5	-43	175.1	0	0	0	0	0	110.5	L822 P823 Q831	L822-A827 HydrophobicContact CB-CB 4.05Å; P823-A827 WeakPolarHBondContact O-CB 3.5Å; P823-A827 PolarHBondContact O-N 2.73Å; A827-Q831 WeakPolarHBondContact O-CB 3.35Å; A827-Q831 PolarHBondContact O-N 2.89Å
828	E	81.6	Confident	79.7	Confident	73 Å²	73	91.3 Å²	91.3	34%	0.341	45%	0.446	S	S	.	.	H	α-helix	trans	-70.6	-39.9	177.5	-163.1	178.8	144.6	0	0	112.6	P824 E826 Q831 K832	P824-E828 WeakPolarHBondContact O-CB 3.24Å; P824-E828 PolarHBondContact O-N 3.41Å; E826-E828 VanDerWaalsContact C-N 3.29Å; E826-E828 PolarHBondContact O-N 3.39Å; E828-Q831 PolarHBondContact O-N 3.32Å; E828-K832 HydrophobicContact CG-CD 4.43Å; E828-K832 WeakPolarHBondContact O-CB 3.13Å; E828-K832 WeakPolarHBondContact O-CG 2.95Å; E828-K832 PolarHBondContact O-N 2.81Å; E828-K832 WeakPolarHBondContact OE1-CE 3.45Å; E828-K832 IonicContact OE1-NZ 3.01Å; E828-K832 PolarHBondContact OE1-NZ 2.98Å
829	K	84.6	Confident	80.3	Confident	157 Å²	157	89.9 Å²	89.9	68%	0.683	44%	0.444	S	S	*	.	H	α-helix	trans	-63.7	-45	176.3	-170	178.1	179.3	-178.3	0	111.9	D825 E826 K832 E833	D825-K829 WeakPolarHBondContact O-CB 3.33Å; D825-K829 PolarHBondContact O-N 3.31Å; E826-K829 PolarHBondContact O-N 2.94Å; K829-K832 PolarHBondContact O-N 2.73Å; K829-E833 WeakPolarHBondContact O-CB 3.44Å; K829-E833 PolarHBondContact O-N 3.41Å
830	K	79.9	Confident	81.2	Confident	107 Å²	107	92.2 Å²	92.2	47%	0.465	45%	0.452	S	S	.	.	H	α-helix	trans	-66.8	-40.4	175.6	-76.1	-170.6	-174.9	168.2	0	111.9	L822 E826 K832 E833 E834	L822-K830 HydrophobicContact CD1-CD 3.79Å; E826-K830 WeakPolarHBondContact O-CB 3.44Å; E826-K830 PolarHBondContact O-N 3.24Å; K830-K832 VanDerWaalsContact C-N 3.34Å; K830-K832 PolarHBondContact O-N 2.81Å; K830-E833 PolarHBondContact O-N 2.99Å; K830-E834 WeakPolarHBondContact O-CB 3.05Å; K830-E834 PolarHBondContact O-N 3.47Å
831	Q	84.3	Confident	82	Confident	48 Å²	48	84.7 Å²	84.7	22%	0.224	42%	0.415	C	S	.	.	H	α-helix	trans	-58.3	-46.7	174	-173.9	-173.6	24.2	0	0	110.9	A816 A827 E828 E834 Q835	A816-Q831 HydrophobicContact CB-CG 4.15Å; A816-Q831 WeakPolarHBondContact O-CG 3.38Å; A816-Q831 PolarHBondContact O-NE2 3.26Å; A827-Q831 WeakPolarHBondContact O-CB 3.35Å; A827-Q831 PolarHBondContact O-N 2.89Å; E828-Q831 PolarHBondContact O-N 3.32Å; Q831-E834 PolarHBondContact O-N 3.23Å; Q831-Q835 WeakPolarHBondContact O-CB 3.49Å; Q831-Q835 PolarHBondContact O-N 3.24Å
832	K	86.2	Confident	82.7	Confident	132 Å²	132	82.6 Å²	82.6	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-63.7	-40.8	176.7	-81.7	171.5	171	158.7	0	112.5	E828 K829 K830 R836	E828-K832 HydrophobicContact CG-CD 4.43Å; E828-K832 WeakPolarHBondContact O-CB 3.13Å; E828-K832 WeakPolarHBondContact O-CG 2.95Å; E828-K832 PolarHBondContact O-N 2.81Å; E828-K832 WeakPolarHBondContact OE1-CE 3.45Å; E828-K832 IonicContact OE1-NZ 3.01Å; E828-K832 PolarHBondContact OE1-NZ 2.98Å; K829-K832 PolarHBondContact O-N 2.73Å; K830-K832 VanDerWaalsContact C-N 3.34Å; K830-K832 PolarHBondContact O-N 2.81Å; K832-R836 WeakPolarHBondContact O-CB 3.48Å; K832-R836 PolarHBondContact O-N 2.77Å
833	E	85.8	Confident	83.3	Confident	86 Å²	86	83.7 Å²	83.7	40%	0.402	41%	0.405	S	S	.	.	H	α-helix	trans	-67.8	-43.3	178	-165.7	-168.6	145.8	0	0	112.1	K829 K830 R836 K837	K829-E833 WeakPolarHBondContact O-CB 3.44Å; K829-E833 PolarHBondContact O-N 3.41Å; K830-E833 PolarHBondContact O-N 2.99Å; E833-R836 PolarHBondContact O-N 3.29Å; E833-K837 WeakPolarHBondContact O-CG 3.41Å; E833-K837 PolarHBondContact O-N 3.23Å; E833-K837 VanDerWaalsContact O-N 3.12Å; E833-K837 WeakPolarHBondContact OE1-CE 3.14Å; E833-K837 IonicContact OE1-NZ 3.15Å; E833-K837 PolarHBondContact OE1-NZ 3.5Å
834	E	82.4	Confident	83.7	Confident	53 Å²	53	81 Å²	81	25%	0.248	39%	0.386	C	S	.	.	H	α-helix	trans	-67.2	-40.4	176.9	-166.8	175.8	-175.2	0	0	111	R809 A816 K830 Q831 R836 K837 I838	R809-E834 IonicContact CZ-OE1 3.49Å; R809-E834 IonicContact NH1-OE1 2.93Å; R809-E834 PolarHBondContact NH1-OE1 2.95Å; A816-E834 HydrophobicContact CB-CB 4.32Å; A816-E834 HydrophobicContact CB-CG 4.38Å; K830-E834 WeakPolarHBondContact O-CB 3.05Å; K830-E834 PolarHBondContact O-N 3.47Å; Q831-E834 PolarHBondContact O-N 3.23Å; E834-R836 VanDerWaalsContact C-N 3.35Å; E834-R836 PolarHBondContact O-N 3.09Å; E834-K837 PolarHBondContact O-N 2.95Å; E834-I838 WeakPolarHBondContact O-CG1 3.5Å; E834-I838 PolarHBondContact O-N 3.22Å; E834-I838 VanDerWaalsContact O-N 3.09Å
835	Q	85.4	Confident	84.2	Confident	42 Å²	42	80.6 Å²	80.6	20%	0.196	38%	0.378	C	S	.	.	H	α-helix	trans	-62.7	-41.1	173.9	-166.6	63	51.8	0	0	111.3	A816 Q831 K837 I838 D839	A816-Q835 VanDerWaalsContact N-OE1 3.07Å; Q831-Q835 WeakPolarHBondContact O-CB 3.49Å; Q831-Q835 PolarHBondContact O-N 3.24Å; Q835-K837 VanDerWaalsContact C-N 3.33Å; Q835-K837 PolarHBondContact O-N 3.32Å; Q835-I838 WeakPolarHBondContact O-CB 3.45Å; Q835-I838 PolarHBondContact O-N 2.94Å; Q835-I838 VanDerWaalsContact O-N 3.12Å; Q835-D839 PolarHBondContact NE2-OD1 3.06Å; Q835-D839 WeakPolarHBondContact O-CB 3.41Å; Q835-D839 PolarHBondContact O-N 2.87Å
836	R	88.5	Confident	84.5	Confident	139 Å²	139	82.2 Å²	82.2	53%	0.525	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-41.9	175.4	-165.9	-176.6	80.8	-154.3	-0.5	112.1	K832 E833 E834 I838 D839 E840	K832-R836 WeakPolarHBondContact O-CB 3.48Å; K832-R836 PolarHBondContact O-N 2.77Å; E833-R836 PolarHBondContact O-N 3.29Å; E834-R836 VanDerWaalsContact C-N 3.35Å; E834-R836 PolarHBondContact O-N 3.09Å; R836-I838 VanDerWaalsContact C-N 3.32Å; R836-I838 PolarHBondContact O-N 3.02Å; R836-D839 PolarHBondContact O-N 2.89Å; R836-E840 WeakPolarHBondContact CD-OE1 3.21Å; R836-E840 HydrophobicContact CG-CG 4.31Å; R836-E840 VanDerWaalsContact CG-OE1 3.31Å; R836-E840 WeakPolarHBondContact CG-OE1 3.37Å; R836-E840 IonicContact NE-OE1 3.74Å; R836-E840 IonicContact NE-OE2 2.94Å; R836-E840 WeakPolarHBondContact O-CB 3.5Å; R836-E840 WeakPolarHBondContact O-CG 3.35Å; R836-E840 PolarHBondContact O-N 3.29Å
837	K	87.5	Confident	85	Confident	77 Å²	77	85.3 Å²	85.3	34%	0.335	40%	0.396	S	S	.	.	H	α-helix	trans	-64.1	-36.4	176.1	-68.7	174.8	-171.2	169.3	0	112.4	Y806 E833 E834 Q835 A841	Y806-K837 HydrophobicContact CD1-CB 4.13Å; Y806-K837 HydrophobicContact CD2-CB 4.34Å; Y806-K837 HydrophobicContact CE1-CB 3.96Å; Y806-K837 HydrophobicContact CE1-CD 4.46Å; Y806-K837 HydrophobicContact CE2-CB 4.16Å; Y806-K837 HydrophobicContact CE2-CD 4.21Å; Y806-K837 HydrophobicContact CG-CB 4.33Å; E833-K837 WeakPolarHBondContact O-CG 3.41Å; E833-K837 PolarHBondContact O-N 3.23Å; E833-K837 VanDerWaalsContact O-N 3.12Å; E833-K837 WeakPolarHBondContact OE1-CE 3.14Å; E833-K837 IonicContact OE1-NZ 3.15Å; E833-K837 PolarHBondContact OE1-NZ 3.5Å; E834-K837 PolarHBondContact O-N 2.95Å; Q835-K837 VanDerWaalsContact C-N 3.33Å; Q835-K837 PolarHBondContact O-N 3.32Å; K837-A841 PolarHBondContact O-N 3.01Å
838	I	85.2	Confident	85.5	Confident	1 Å²	1	86.2 Å²	86.2	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-68.5	-46.2	174.4	-64.7	166.3	0	0	0	110	Y806 R809 K810 Y814 E834 Q835 R836 A841	Y806-I838 HydrophobicContact CD1-CG1 3.94Å; R809-I838 HydrophobicContact CB-CD1 4.09Å; R809-I838 HydrophobicContact CB-CG1 4.01Å; R809-I838 HydrophobicContact CB-CG2 3.97Å; K810-I838 HydrophobicContact CB-CG2 3.94Å; K810-I838 WeakPolarHBondContact CB-O 3.41Å; K810-I838 WeakPolarHBondContact CD-O 3.2Å; Y814-I838 HydrophobicContact CD1-CD1 4.19Å; E834-I838 WeakPolarHBondContact O-CG1 3.5Å; E834-I838 PolarHBondContact O-N 3.22Å; E834-I838 VanDerWaalsContact O-N 3.09Å; Q835-I838 WeakPolarHBondContact O-CB 3.45Å; Q835-I838 PolarHBondContact O-N 2.94Å; Q835-I838 VanDerWaalsContact O-N 3.12Å; R836-I838 VanDerWaalsContact C-N 3.32Å; R836-I838 PolarHBondContact O-N 3.02Å; I838-A841 VanDerWaalsContact O-CB 3.24Å; I838-A841 WeakPolarHBondContact O-CB 3.49Å; I838-A841 PolarHBondContact O-N 3.47Å
839	D	85.7	Confident	85.7	Confident	89 Å²	89	86.7 Å²	86.7	48%	0.476	40%	0.403	S	S	.	.	H	α-helix	trans	-68.8	-37.2	-175.1	-63.7	-14.3	0	0	0	112.4	K810 Q835 R836 A841	K810-D839 WeakPolarHBondContact CE-O 3.39Å; K810-D839 PolarHBondContact NZ-O 3.49Å; Q835-D839 PolarHBondContact NE2-OD1 3.06Å; Q835-D839 WeakPolarHBondContact O-CB 3.41Å; Q835-D839 PolarHBondContact O-N 2.87Å; R836-D839 PolarHBondContact O-N 2.89Å; D839-A841 VanDerWaalsContact C-N 3.27Å; D839-A841 PolarHBondContact O-N 2.89Å
840	E	86.8	Confident	85.8	Confident	136 Å²	136	82 Å²	82	64%	0.636	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-5	176.6	-69.9	172.5	-178.9	0	0	113.4	R836	R836-E840 WeakPolarHBondContact CD-OE1 3.21Å; R836-E840 HydrophobicContact CG-CG 4.31Å; R836-E840 VanDerWaalsContact CG-OE1 3.31Å; R836-E840 WeakPolarHBondContact CG-OE1 3.37Å; R836-E840 IonicContact NE-OE1 3.74Å; R836-E840 IonicContact NE-OE2 2.94Å; R836-E840 WeakPolarHBondContact O-CB 3.5Å; R836-E840 WeakPolarHBondContact O-CG 3.35Å; R836-E840 PolarHBondContact O-N 3.29Å
841	A	85.2	Confident	86.3	Confident	12 Å²	12	80 Å²	80	10%	0.099	39%	0.387	C	S	.	.			trans	-66.6	137.2	-174.8	0	0	0	0	0	113.2	K810 K837 I838 D839	K810-A841 HydrophobicContact CD-CB 4.3Å; K810-A841 WeakPolarHBondContact CD-O 3.45Å; K810-A841 PolarHBondContact NZ-O 3.48Å; K837-A841 PolarHBondContact O-N 3.01Å; I838-A841 VanDerWaalsContact O-CB 3.24Å; I838-A841 WeakPolarHBondContact O-CB 3.49Å; I838-A841 PolarHBondContact O-N 3.47Å; D839-A841 VanDerWaalsContact C-N 3.27Å; D839-A841 PolarHBondContact O-N 2.89Å
842	R	87.4	Confident	86.4	Confident	108 Å²	108	79.3 Å²	79.3	41%	0.408	38%	0.383	S	S	.	.			trans	-119.4	155.2	174.8	69.5	167.7	178	80.7	1.5	110.9	N845 E848	R842-N845 PolarHBondContact NH1-OD1 3.08Å; R842-E848 IonicContact CZ-OE1 3.49Å; R842-E848 IonicContact CZ-OE2 3.49Å; R842-E848 IonicContact NH1-OE1 2.75Å; R842-E848 IonicContact NH1-OE2 3.37Å; R842-E848 PolarHBondContact NH1-OE2 3.16Å; R842-E848 IonicContact NH2-OE1 3.65Å; R842-E848 PolarHBondContact NH2-OE1 3.43Å; R842-E848 IonicContact NH2-OE2 2.75Å; R842-E848 PolarHBondContact NH2-OE2 3.25Å
843	P	86.6	Confident	86.3	Confident	64 Å²	64	80.1 Å²	80.1	42%	0.416	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-63.8	152.6	171	27.2	-32	0	0	0	110.8	Y807	Y807-P843 HydrophobicContact CD1-CB 4.38Å; Y807-P843 HydrophobicContact CD2-CB 4.48Å; Y807-P843 HydrophobicContact CE1-CB 3.96Å; Y807-P843 HydrophobicContact CE2-CB 4.08Å; Y807-P843 VanDerWaalsContact CE2-CD 3.48Å; Y807-P843 HydrophobicContact CE2-CG 4.17Å
844	L	84	Confident	86.4	Confident	22 Å²	22	79.1 Å²	79.1	12%	0.115	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-67.5	136.4	172.5	-69.8	179.8	0	0	0	109.9	L800 M803 E804 E848 L849	L800-L844 HydrophobicContact CD2-CD2 3.89Å; M803-L844 HydrophobicContact CB-CD2 4.07Å; M803-L844 HydrophobicContact CE-CD2 3.93Å; M803-L844 HydrophobicContact SD-CD2 4.24Å; E804-L844 HydrophobicContact CG-CD1 3.47Å; E804-L844 VanDerWaalsContact CG-CD1 3.47Å; E804-L844 HydrophobicContact CG-CG 4.05Å; E804-L844 WeakPolarHBondContact OE1-CD1 3.27Å; L844-E848 WeakPolarHBondContact CA-OE2 3.48Å; L844-E848 HydrophobicContact CB-CB 4.21Å; L844-E848 HydrophobicContact CD2-CB 3.99Å; L844-L849 HydrophobicContact CB-CG 4.1Å; L844-L849 HydrophobicContact CD1-CD2 4.41Å
845	N	87.6	Confident	86.7	Confident	96 Å²	96	77.3 Å²	77.3	51%	0.513	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-76.2	162.5	173.9	-69.6	6.4	0	0	0	110.3	R842 Q847 E848 L849	R842-N845 PolarHBondContact NH1-OD1 3.08Å; N845-Q847 PolarHBondContact O-N 3.44Å; N845-E848 PolarHBondContact N-OE2 3.34Å; N845-E848 WeakPolarHBondContact O-CA 3.36Å; N845-E848 WeakPolarHBondContact O-CB 3.38Å; N845-E848 PolarHBondContact O-N 3.1Å; N845-L849 PolarHBondContact O-N 3.34Å
846	E	85.3	Confident	86.6	Confident	173 Å²	173	77.4 Å²	77.4	81%	0.808	38%	0.384	S	S	*	.	H	α-helix	trans	-55.7	-37.1	-178.1	-164.1	174.1	-166.3	0	0	113.1	E848 L849 A850	E846-E848 PolarHBondContact O-N 3.12Å; E846-L849 PolarHBondContact O-N 2.95Å; E846-A850 PolarHBondContact O-N 3.47Å; E846-A850 VanDerWaalsContact O-N 3.08Å
847	Q	87.9	Confident	86.3	Confident	170 Å²	170	75.3 Å²	75.3	79%	0.794	39%	0.39	S	S	*	.	H	α-helix	trans	-64.1	-38	173.3	-67.9	-179.1	-7.6	0	0	113	N845 E851	N845-Q847 PolarHBondContact O-N 3.44Å; Q847-E851 WeakPolarHBondContact O-CB 3.2Å; Q847-E851 PolarHBondContact O-N 3.14Å
848	E	88.6	Confident	86.2	Confident	25 Å²	25	77.9 Å²	77.9	12%	0.117	40%	0.402	C	S	.	.	H	α-helix	trans	-75.5	-32.1	-179.1	-63.9	175.1	141	0	0	111.6	L800 R842 L844 N845 E846 K852	L800-E848 HydrophobicContact CD2-CB 4Å; L800-E848 HydrophobicContact CD2-CG 4.44Å; R842-E848 IonicContact CZ-OE1 3.49Å; R842-E848 IonicContact CZ-OE2 3.49Å; R842-E848 IonicContact NH1-OE1 2.75Å; R842-E848 IonicContact NH1-OE2 3.37Å; R842-E848 PolarHBondContact NH1-OE2 3.16Å; R842-E848 IonicContact NH2-OE1 3.65Å; R842-E848 PolarHBondContact NH2-OE1 3.43Å; R842-E848 IonicContact NH2-OE2 2.75Å; R842-E848 PolarHBondContact NH2-OE2 3.25Å; L844-E848 WeakPolarHBondContact CA-OE2 3.48Å; L844-E848 HydrophobicContact CB-CB 4.21Å; L844-E848 HydrophobicContact CD2-CB 3.99Å; N845-E848 PolarHBondContact N-OE2 3.34Å; N845-E848 WeakPolarHBondContact O-CA 3.36Å; N845-E848 WeakPolarHBondContact O-CB 3.38Å; N845-E848 PolarHBondContact O-N 3.1Å; E846-E848 PolarHBondContact O-N 3.12Å; E848-K852 WeakPolarHBondContact O-CB 3.37Å; E848-K852 PolarHBondContact O-N 3.28Å
849	L	85.5	Confident	86.2	Confident	83 Å²	83	78.5 Å²	78.5	44%	0.435	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-46.3	171.2	-81.7	159	0	0	0	111.5	L844 N845 E846 E851 K852 E853	L844-L849 HydrophobicContact CB-CG 4.1Å; L844-L849 HydrophobicContact CD1-CD2 4.41Å; N845-L849 PolarHBondContact O-N 3.34Å; E846-L849 PolarHBondContact O-N 2.95Å; L849-E851 VanDerWaalsContact C-N 3.34Å; L849-E851 PolarHBondContact O-N 3.15Å; L849-K852 WeakPolarHBondContact O-CB 3.35Å; L849-K852 PolarHBondContact O-N 2.91Å; L849-E853 PolarHBondContact O-N 3.43Å; L849-E853 VanDerWaalsContact O-N 3.11Å
850	A	87.1	Confident	86.3	Confident	59 Å²	59	75.8 Å²	75.8	49%	0.488	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-39.1	175	0	0	0	0	0	112.1	E846 E853 C854	E846-A850 PolarHBondContact O-N 3.47Å; E846-A850 VanDerWaalsContact O-N 3.08Å; A850-E853 PolarHBondContact O-N 3.01Å; A850-C854 WeakPolarHBondContact O-CB 3.36Å; A850-C854 PolarHBondContact O-N 3.33Å; A850-C854 VanDerWaalsContact O-N 3.09Å
851	E	88.7	Confident	86.1	Confident	66 Å²	66	73.1 Å²	73.1	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-60.1	-44.7	173.5	-170.5	-175.9	-176.8	0	0	111	R796 L800 Q847 L849 E853 C854 L855	R796-E851 WeakPolarHBondContact CG-OE1 3.13Å; R796-E851 IonicContact CZ-OE1 3.67Å; R796-E851 IonicContact CZ-OE2 3.32Å; R796-E851 IonicContact NE-OE1 3.84Å; R796-E851 PolarHBondContact NE-OE1 3.22Å; R796-E851 IonicContact NE-OE2 3.53Å; R796-E851 PolarHBondContact NE-OE2 2.86Å; R796-E851 IonicContact NH2-OE1 2.74Å; R796-E851 IonicContact NH2-OE2 3.7Å; R796-E851 PolarHBondContact NH2-OE2 3.11Å; L800-E851 HydrophobicContact CD1-CB 4.34Å; L800-E851 HydrophobicContact CD1-CG 4.25Å; Q847-E851 WeakPolarHBondContact O-CB 3.2Å; Q847-E851 PolarHBondContact O-N 3.14Å; L849-E851 VanDerWaalsContact C-N 3.34Å; L849-E851 PolarHBondContact O-N 3.15Å; E851-E853 PolarHBondContact O-N 3.46Å; E851-C854 PolarHBondContact O-N 3.37Å; E851-L855 HydrophobicContact CG-CD1 3.95Å; E851-L855 HydrophobicContact CG-CG 4.39Å; E851-L855 WeakPolarHBondContact O-CB 3.06Å; E851-L855 WeakPolarHBondContact O-CG 3.35Å; E851-L855 PolarHBondContact O-N 3.19Å
852	K	86.5	Confident	86.2	Confident	32 Å²	32	76.2 Å²	76.2	14%	0.139	40%	0.404	C	S	.	.	H	α-helix	trans	-59.1	-47.4	177.6	179.6	-177.5	152.2	-178.4	0	112.2	L797 L800 Y801 E804 E848 L849 L855 L856	L797-K852 HydrophobicContact CD1-CG 3.94Å; L800-K852 HydrophobicContact CD1-CB 3.86Å; Y801-K852 HydrophobicContact CE1-CD 4.3Å; E804-K852 IonicContact OE1-NZ 3.86Å; E804-K852 PolarHBondContact OE1-NZ 2.92Å; E804-K852 IonicContact OE2-NZ 2.89Å; E804-K852 PolarHBondContact OE2-NZ 2.99Å; E848-K852 WeakPolarHBondContact O-CB 3.37Å; E848-K852 PolarHBondContact O-N 3.28Å; L849-K852 WeakPolarHBondContact O-CB 3.35Å; L849-K852 PolarHBondContact O-N 2.91Å; K852-L855 PolarHBondContact O-N 3.31Å; K852-L856 HydrophobicContact CG-CD1 4.38Å; K852-L856 PolarHBondContact O-N 3.24Å; K852-L856 VanDerWaalsContact O-N 3.09Å
853	E	85.4	Confident	86.3	Confident	149 Å²	149	71.3 Å²	71.3	70%	0.696	39%	0.385	S	S	*	.	H	α-helix	trans	-63.4	-41.2	178.3	-72.3	-168.8	161.7	0	0	112.1	L849 A850 E851 L855 L856	L849-E853 PolarHBondContact O-N 3.43Å; L849-E853 VanDerWaalsContact O-N 3.11Å; A850-E853 PolarHBondContact O-N 3.01Å; E851-E853 PolarHBondContact O-N 3.46Å; E853-L855 VanDerWaalsContact C-N 3.35Å; E853-L855 PolarHBondContact O-N 3.16Å; E853-L856 PolarHBondContact O-N 3.07Å
854	C	88.1	Confident	86.4	Confident	65 Å²	65	70.5 Å²	70.5	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-36.4	175.9	-176.3	0	0	0	0	112.8	A850 E851 S857	A850-C854 WeakPolarHBondContact O-CB 3.36Å; A850-C854 PolarHBondContact O-N 3.33Å; A850-C854 VanDerWaalsContact O-N 3.09Å; E851-C854 PolarHBondContact O-N 3.37Å; C854-S857 PolarHBondContact O-N 2.92Å; C854-S857 PolarHBondContact O-OG 3.43Å
855	L	87.6	Confident	86.6	Confident	15 Å²	15	77.3 Å²	77.3	8%	0.079	41%	0.405	C	S	.	.	H	α-helix	trans	-74.1	-28.1	179.1	-68.7	173.9	0	0	0	112.7	P794 R796 L797 L800 E851 K852 E853 S857 K858	P794-L855 HydrophobicContact CB-CD2 3.97Å; P794-L855 HydrophobicContact CG-CD2 3.87Å; R796-L855 HydrophobicContact CB-CD1 3.78Å; R796-L855 HydrophobicContact CG-CD1 3.62Å; L797-L855 HydrophobicContact CB-CB 4.06Å; L797-L855 HydrophobicContact CB-CD1 4.31Å; L797-L855 HydrophobicContact CD1-CB 4.05Å; L797-L855 HydrophobicContact CG-CB 4.47Å; L800-L855 HydrophobicContact CD1-CD1 4.14Å; E851-L855 HydrophobicContact CG-CD1 3.95Å; E851-L855 HydrophobicContact CG-CG 4.39Å; E851-L855 WeakPolarHBondContact O-CB 3.06Å; E851-L855 WeakPolarHBondContact O-CG 3.35Å; E851-L855 PolarHBondContact O-N 3.19Å; K852-L855 PolarHBondContact O-N 3.31Å; E853-L855 VanDerWaalsContact C-N 3.35Å; E853-L855 PolarHBondContact O-N 3.16Å; L855-S857 VanDerWaalsContact C-N 3.29Å; L855-S857 PolarHBondContact O-N 3.23Å; L855-K858 PolarHBondContact O-N 3.42Å
856	L	83.9	Confident	86.6	Confident	44 Å²	44	81.5 Å²	81.5	23%	0.23	41%	0.414	C	S	.	.	H	α-helix	trans	-65.8	-28.6	174.2	-85.1	161.5	0	0	0	113.2	P785 Y793 L797 Y801 K852 E853 K858	P785-L856 HydrophobicContact CG-CD2 4.34Å; Y793-L856 HydrophobicContact CE1-CD2 4.42Å; Y793-L856 WeakPolarHBondContact CE1-O 3.44Å; L797-L856 HydrophobicContact CD1-CG 4.02Å; L797-L856 HydrophobicContact CD2-CD2 4.01Å; L797-L856 HydrophobicContact CD2-CG 4.18Å; Y801-L856 HydrophobicContact CE2-CD2 4.44Å; Y801-L856 WeakPolarHBondContact OH-CD1 3.49Å; Y801-L856 WeakPolarHBondContact OH-CD2 3.42Å; K852-L856 HydrophobicContact CG-CD1 4.38Å; K852-L856 PolarHBondContact O-N 3.24Å; K852-L856 VanDerWaalsContact O-N 3.09Å; E853-L856 PolarHBondContact O-N 3.07Å; L856-K858 VanDerWaalsContact C-N 3.3Å; L856-K858 PolarHBondContact O-N 2.93Å
857	S	82.6	Confident	86.9	Confident	95 Å²	95	74.3 Å²	74.3	66%	0.664	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.9	179.1	74.5	0	0	0	0	113.9	C854 L855	C854-S857 PolarHBondContact O-N 2.92Å; C854-S857 PolarHBondContact O-OG 3.43Å; L855-S857 VanDerWaalsContact C-N 3.29Å; L855-S857 PolarHBondContact O-N 3.23Å
858	K	84.9	Confident	87.2	Confident	132 Å²	132	67.4 Å²	67.4	57%	0.574	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.9	-175.2	-68.9	-177	-178.5	177.2	0	114.8	P794 L855 L856	P794-K858 HydrophobicContact CG-CB 4.31Å; P794-K858 HydrophobicContact CG-CD 4.44Å; L855-K858 PolarHBondContact O-N 3.42Å; L856-K858 VanDerWaalsContact C-N 3.3Å; L856-K858 PolarHBondContact O-N 2.93Å
859	G	84.4	Confident	87.3	Confident	13 Å²	13	71.2 Å²	71.2	13%	0.134	37%	0.366	C	S	.	.	S	Bend	trans	-99.3	165.4	178.7	0	0	0	0	0	113.4	H791 S861	H791-G859 WeakPolarHBondContact O-CA 3.46Å; G859-S861 PolarHBondContact O-N 3.38Å
860	F	88.8	Confident	87.6	Confident	32 Å²	32	69.2 Å²	69.2	14%	0.14	35%	0.354	C	S	.	.			trans	-82.3	60.3	177	-70.6	-80.5	0	0	0	112.1	H791 F792 N862 W863 Y901 T904	H791-F860 PolarHBondContact CD2-O 2.9Å; H791-F860 PolarHBondContact O-N 3.43Å; F792-F860 HydrophobicContact CB-CD2 4.47Å; F792-F860 HydrophobicContact CD2-CD2 4.18Å; F860-N862 PolarHBondContact O-N 3.05Å; F860-N862 VanDerWaalsContact O-N 3.12Å; F860-W863 HydrophobicContact CB-CB 4.4Å; F860-W863 HydrophobicContact CB-CG 4.19Å; F860-W863 AromaticContact CD1-CD1 3.91Å; F860-W863 AromaticContact CD1-NE1 3.84Å; F860-W863 PolarHBondContact O-N 3.21Å; F860-Y901 HydrophobicContact CB-CD2 4.2Å; F860-Y901 HydrophobicContact CB-CE2 4.3Å; F860-Y901 AromaticContact CD1-CD2 3.87Å; F860-Y901 HydrophobicContact CD1-CD2 3.87Å; F860-Y901 AromaticContact CD2-CD2 3.97Å; F860-Y901 HydrophobicContact CD2-CD2 3.97Å; F860-Y901 HydrophobicContact CD2-CE2 4.31Å; F860-Y901 HydrophobicContact CE1-CD2 4.21Å; F860-Y901 HydrophobicContact CE2-CD2 4.3Å; F860-Y901 AromaticContact CG-CD2 3.74Å; F860-Y901 HydrophobicContact CG-CD2 3.74Å; F860-Y901 HydrophobicContact CG-CE2 4.21Å; F860-Y901 HydrophobicContact CZ-CD2 4.42Å; F860-T904 HydrophobicContact CE2-CG2 3.73Å; F860-T904 WeakPolarHBondContact CE2-OG1 3.45Å; F860-T904 HydrophobicContact CZ-CG2 4.47Å; F860-T904 WeakPolarHBondContact CZ-OG1 3.5Å
861	S	82.5	Confident	87.9	Confident	81 Å²	81	66.4 Å²	66.4	57%	0.566	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.6	-175.4	63.5	0	0	0	0	114.5	Y793 G859 W863	Y793-S861 WeakPolarHBondContact OH-CB 3.29Å; G859-S861 PolarHBondContact O-N 3.38Å; S861-W863 VanDerWaalsContact C-N 3.34Å
862	N	86.2	Confident	88	Confident	77 Å²	77	63.8 Å²	63.8	41%	0.412	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.6	178	64.6	-25.7	0	0	0	113.4	F860 K893 E897	F860-N862 PolarHBondContact O-N 3.05Å; F860-N862 VanDerWaalsContact O-N 3.12Å; N862-K893 PolarHBondContact ND2-NZ 2.97Å; N862-K893 PolarHBondContact O-NZ 3.38Å; N862-E897 PolarHBondContact ND2-OE1 3.18Å
863	W	90	Very high	88.2	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.015	34%	0.342	C	S	.	.			trans	-84.1	128.3	-179.2	-77.7	69.6	0	0	0	111.9	F790 H791 F860 S861 D867 F871 V890 K893 V898 Y901	F790-W863 WeakPolarHBondContact CE2-O 3.43Å; H791-W863 PolarHBondContact CD2-O 3.14Å; H791-W863 PolarHBondContact NE2-O 2.89Å; F860-W863 HydrophobicContact CB-CB 4.4Å; F860-W863 HydrophobicContact CB-CG 4.19Å; F860-W863 AromaticContact CD1-CD1 3.91Å; F860-W863 AromaticContact CD1-NE1 3.84Å; F860-W863 PolarHBondContact O-N 3.21Å; S861-W863 VanDerWaalsContact C-N 3.34Å; W863-D867 HydrophobicContact CD2-CB 4.49Å; W863-D867 HydrophobicContact CE3-CB 3.76Å; W863-D867 HydrophobicContact CZ3-CB 4.17Å; W863-F871 HydrophobicContact CH2-CD2 4.48Å; W863-F871 HydrophobicContact CZ3-CB 4.1Å; W863-F871 HydrophobicContact CZ3-CG 4.46Å; W863-V890 HydrophobicContact CH2-CG1 4.35Å; W863-V890 HydrophobicContact CZ3-CG1 4.35Å; W863-K893 HydrophobicContact CH2-CG 4.43Å; W863-K893 HydrophobicContact CZ2-CD 4.41Å; W863-K893 HydrophobicContact CZ2-CG 4.19Å; W863-V898 HydrophobicContact CH2-CG2 4.44Å; W863-Y901 HydrophobicContact CB-CE2 4.48Å; W863-Y901 AromaticContact CD1-CD2 3.96Å; W863-Y901 HydrophobicContact CD2-CD1 4.29Å; W863-Y901 AromaticContact CD2-CD2 3.5Å; W863-Y901 HydrophobicContact CD2-CD2 3.5Å; W863-Y901 VanDerWaalsContact CD2-CD2 3.5Å; W863-Y901 HydrophobicContact CD2-CE1 4.45Å; W863-Y901 AromaticContact CD2-CE2 3.68Å; W863-Y901 HydrophobicContact CD2-CE2 3.68Å; W863-Y901 AromaticContact CD2-CG 3.82Å; W863-Y901 HydrophobicContact CD2-CG 3.82Å; W863-Y901 AromaticContact CE2-CD2 3.41Å; W863-Y901 VanDerWaalsContact CE2-CD2 3.41Å; W863-Y901 AromaticContact CE2-CG 3.44Å; W863-Y901 VanDerWaalsContact CE2-CG 3.44Å; W863-Y901 AromaticContact CE3-CD1 3.97Å; W863-Y901 HydrophobicContact CE3-CD1 3.97Å; W863-Y901 AromaticContact CE3-CD2 3.94Å; W863-Y901 HydrophobicContact CE3-CD2 3.94Å; W863-Y901 AromaticContact CE3-CE1 3.9Å; W863-Y901 HydrophobicContact CE3-CE1 3.9Å; W863-Y901 AromaticContact CE3-CE2 3.85Å; W863-Y901 HydrophobicContact CE3-CE2 3.85Å; W863-Y901 AromaticContact CE3-CG 3.99Å; W863-Y901 HydrophobicContact CE3-CG 3.99Å; W863-Y901 AromaticContact CE3-CZ 3.83Å; W863-Y901 AromaticContact CG-CD2 3.91Å; W863-Y901 HydrophobicContact CG-CD2 3.91Å; W863-Y901 AromaticContact CG-CE2 3.95Å; W863-Y901 HydrophobicContact CG-CE2 3.95Å; W863-Y901 AromaticContact CH2-CD1 3.44Å; W863-Y901 HydrophobicContact CH2-CD1 3.44Å; W863-Y901 VanDerWaalsContact CH2-CD1 3.44Å; W863-Y901 HydrophobicContact CH2-CD2 4.23Å; W863-Y901 HydrophobicContact CH2-CE1 4.12Å; W863-Y901 AromaticContact CH2-CG 3.51Å; W863-Y901 HydrophobicContact CH2-CG 3.51Å; W863-Y901 AromaticContact CZ2-CD1 3.8Å; W863-Y901 HydrophobicContact CZ2-CD1 3.8Å; W863-Y901 AromaticContact CZ2-CD2 3.83Å; W863-Y901 HydrophobicContact CZ2-CD2 3.83Å; W863-Y901 AromaticContact CZ2-CG 3.31Å; W863-Y901 HydrophobicContact CZ2-CG 3.31Å; W863-Y901 AromaticContact CZ3-CD1 3.53Å; W863-Y901 HydrophobicContact CZ3-CD1 3.53Å; W863-Y901 HydrophobicContact CZ3-CD2 4.27Å; W863-Y901 AromaticContact CZ3-CE1 3.71Å; W863-Y901 HydrophobicContact CZ3-CE1 3.71Å; W863-Y901 HydrophobicContact CZ3-CE2 4.41Å; W863-Y901 AromaticContact CZ3-CG 3.84Å; W863-Y901 HydrophobicContact CZ3-CG 3.84Å; W863-Y901 AromaticContact NE1-CD2 3.66Å
864	S	88.8	Confident	88.5	Confident	48 Å²	48	61.7 Å²	61.7	34%	0.336	31%	0.308	S	S	.	.			trans	-91.6	163.8	173.7	92.6	0	0	0	0	111.8	R866 D867 F868	S864-R866 PolarHBondContact O-N 3.19Å; S864-R866 WeakPolarHBondContact OG-CB 3.48Å; S864-R866 PolarHBondContact OG-N 2.84Å; S864-D867 PolarHBondContact N-OD2 3.15Å; S864-D867 PolarHBondContact O-N 3.22Å; S864-D867 PolarHBondContact OG-N 3.28Å; S864-D867 PolarHBondContact OG-OD1 3.33Å; S864-D867 PolarHBondContact OG-OD2 3.35Å; S864-F868 PolarHBondContact O-N 3.05Å; S864-F868 VanDerWaalsContact O-N 3.11Å
865	R	87.4	Confident	88.6	Confident	165 Å²	165	58.6 Å²	58.6	62%	0.623	29%	0.287	S	S	*	.	H	α-helix	trans	-61.7	-28.5	173.8	-169.3	170.8	-173.2	166.2	3.8	112.3	F790 Q869	F790-R865 HydrophobicContact CE1-CB 4.04Å; F790-R865 HydrophobicContact CE1-CG 4.17Å; F790-R865 HydrophobicContact CZ-CB 3.89Å; R865-Q869 WeakPolarHBondContact O-CG 3.25Å; R865-Q869 PolarHBondContact O-N 2.82Å
866	R	89.4	Confident	88.7	Confident	183 Å²	183	60.1 Å²	60.1	69%	0.691	29%	0.294	S	S	*	.	H	α-helix	trans	-68.2	-46.5	175	-179.6	-176.3	-76.5	-172.1	-3.8	110.4	S864 F868 Q869 Q870	S864-R866 PolarHBondContact O-N 3.19Å; S864-R866 WeakPolarHBondContact OG-CB 3.48Å; S864-R866 PolarHBondContact OG-N 2.84Å; R866-F868 VanDerWaalsContact C-N 3.32Å; R866-F868 PolarHBondContact O-N 2.92Å; R866-Q869 PolarHBondContact O-N 3.47Å; R866-Q869 VanDerWaalsContact O-N 3.15Å; R866-Q870 PolarHBondContact O-N 3.13Å
867	D	91.8	Very high	88.9	Confident	22 Å²	22	63.4 Å²	63.4	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-44.2	-179.6	-45.7	-4.7	0	0	0	110.3	W863 S864 Q869 Q870 F871 V890 K893	W863-D867 HydrophobicContact CD2-CB 4.49Å; W863-D867 HydrophobicContact CE3-CB 3.76Å; W863-D867 HydrophobicContact CZ3-CB 4.17Å; S864-D867 PolarHBondContact N-OD2 3.15Å; S864-D867 PolarHBondContact O-N 3.22Å; S864-D867 PolarHBondContact OG-N 3.28Å; S864-D867 PolarHBondContact OG-OD1 3.33Å; S864-D867 PolarHBondContact OG-OD2 3.35Å; D867-Q869 PolarHBondContact O-N 2.93Å; D867-Q870 PolarHBondContact O-N 2.73Å; D867-F871 WeakPolarHBondContact O-CB 3.47Å; D867-F871 PolarHBondContact O-N 2.93Å; D867-V890 HydrophobicContact CB-CG1 4.42Å; D867-K893 WeakPolarHBondContact OD2-CE 3.34Å; D867-K893 IonicContact OD2-NZ 2.67Å
868	F	92.6	Very high	89.1	Confident	25 Å²	25	62.4 Å²	62.4	11%	0.11	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-45	174.8	171.9	-116	0	0	0	112.8	F790 S864 R866 F871 V872 Y901 F905 L912 I918	F790-F868 HydrophobicContact CB-CB 4.41Å; F790-F868 HydrophobicContact CB-CD1 4.23Å; F790-F868 HydrophobicContact CB-CD2 3.91Å; F790-F868 HydrophobicContact CB-CE1 4.48Å; F790-F868 HydrophobicContact CB-CE2 4.15Å; F790-F868 HydrophobicContact CB-CG 3.92Å; F790-F868 HydrophobicContact CB-CZ 4.42Å; F790-F868 HydrophobicContact CD1-CD1 4.32Å; F790-F868 HydrophobicContact CD2-CB 4.2Å; F790-F868 HydrophobicContact CG-CB 4.21Å; F790-F868 HydrophobicContact CG-CD1 4.34Å; F790-F868 HydrophobicContact CG-CG 4.13Å; S864-F868 PolarHBondContact O-N 3.05Å; S864-F868 VanDerWaalsContact O-N 3.11Å; R866-F868 VanDerWaalsContact C-N 3.32Å; R866-F868 PolarHBondContact O-N 2.92Å; F868-F871 PolarHBondContact O-N 3.07Å; F868-V872 HydrophobicContact CD2-CG2 4.3Å; F868-V872 HydrophobicContact CE2-CG2 3.91Å; F868-V872 HydrophobicContact CZ-CG2 4.08Å; F868-V872 WeakPolarHBondContact O-CG2 3.39Å; F868-V872 PolarHBondContact O-N 3.17Å; F868-Y901 HydrophobicContact CD2-CE1 4.5Å; F868-Y901 VanDerWaalsContact CD2-OH 3.25Å; F868-Y901 WeakPolarHBondContact CD2-OH 3.31Å; F868-F905 HydrophobicContact CE2-CD2 4.31Å; F868-F905 AromaticContact CE2-CE2 3.91Å; F868-F905 HydrophobicContact CE2-CE2 3.91Å; F868-L912 HydrophobicContact CE2-CD1 4.15Å; F868-L912 HydrophobicContact CZ-CD1 4.05Å; F868-I918 HydrophobicContact CE1-CD1 4.44Å; F868-I918 HydrophobicContact CZ-CD1 3.78Å
869	Q	90.7	Very high	89.2	Confident	105 Å²	105	56.3 Å²	56.3	49%	0.491	26%	0.263	S	S	.	.	H	α-helix	trans	-67.3	-37.8	178.3	-74.7	178.7	-9.4	0	0	112.7	R865 R866 D867 K873	R865-Q869 WeakPolarHBondContact O-CG 3.25Å; R865-Q869 PolarHBondContact O-N 2.82Å; R866-Q869 PolarHBondContact O-N 3.47Å; R866-Q869 VanDerWaalsContact O-N 3.15Å; D867-Q869 PolarHBondContact O-N 2.93Å; Q869-K873 WeakPolarHBondContact O-CG 3.42Å; Q869-K873 PolarHBondContact O-N 3.16Å
870	Q	91.6	Very high	89.3	Confident	41 Å²	41	61.5 Å²	61.5	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-46	172.9	-79.2	180	-29.4	0	0	110.8	R866 D867 V872 K873 A874 V890 D891	R866-Q870 PolarHBondContact O-N 3.13Å; D867-Q870 PolarHBondContact O-N 2.73Å; Q870-V872 PolarHBondContact O-N 3.01Å; Q870-K873 PolarHBondContact O-N 3.05Å; Q870-A874 WeakPolarHBondContact O-CB 3.48Å; Q870-A874 PolarHBondContact O-N 3.49Å; Q870-V890 HydrophobicContact CB-CG2 4.36Å; Q870-D891 PolarHBondContact NE2-OD2 2.68Å
871	F	93.8	Very high	89.2	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.1	-44.6	176.7	177.2	-96.9	0	0	0	112.4	W863 D867 F868 A874 N875 I886 V890 V898 Y901 F905	W863-F871 HydrophobicContact CH2-CD2 4.48Å; W863-F871 HydrophobicContact CZ3-CB 4.1Å; W863-F871 HydrophobicContact CZ3-CG 4.46Å; D867-F871 WeakPolarHBondContact O-CB 3.47Å; D867-F871 PolarHBondContact O-N 2.93Å; F868-F871 PolarHBondContact O-N 3.07Å; F871-A874 PolarHBondContact O-N 3.05Å; F871-N875 WeakPolarHBondContact CE1-ND2 3.4Å; F871-N875 WeakPolarHBondContact CE2-ND2 3.5Å; F871-N875 VanDerWaalsContact CZ-ND2 3.3Å; F871-N875 WeakPolarHBondContact CZ-ND2 3.32Å; F871-N875 PolarHBondContact O-N 3.12Å; F871-N875 VanDerWaalsContact O-N 3.08Å; F871-N875 PolarHBondContact O-ND2 2.93Å; F871-I886 HydrophobicContact CD2-CG2 3.93Å; F871-I886 HydrophobicContact CE2-CG2 4.03Å; F871-V890 HydrophobicContact CB-CG2 4Å; F871-V890 HydrophobicContact CD2-CG2 4.45Å; F871-V898 HydrophobicContact CD2-CG1 4.16Å; F871-V898 HydrophobicContact CE2-CG1 4.19Å; F871-Y901 HydrophobicContact CD1-CD1 4.28Å; F871-Y901 AromaticContact CD1-CE1 3.99Å; F871-Y901 HydrophobicContact CD1-CE1 3.99Å; F871-Y901 HydrophobicContact CD2-CD1 4.47Å; F871-Y901 HydrophobicContact CE1-CD1 4.3Å; F871-Y901 HydrophobicContact CE1-CE1 4.23Å; F871-Y901 HydrophobicContact CE2-CD1 4.49Å; F871-Y901 HydrophobicContact CG-CD1 4.37Å; F871-Y901 HydrophobicContact CG-CE1 4.33Å; F871-Y901 HydrophobicContact CZ-CD1 4.41Å; F871-F905 HydrophobicContact CE1-CB 4.23Å; F871-F905 AromaticContact CE1-CD1 3.67Å; F871-F905 HydrophobicContact CE1-CD1 3.67Å; F871-F905 HydrophobicContact CE1-CD2 4.2Å; F871-F905 HydrophobicContact CE1-CE1 4.03Å; F871-F905 AromaticContact CE1-CG 3.76Å; F871-F905 HydrophobicContact CE1-CG 3.76Å; F871-F905 HydrophobicContact CE1-CZ 4.45Å; F871-F905 HydrophobicContact CZ-CD1 4.28Å; F871-F905 HydrophobicContact CZ-CG 4.48Å
872	V	92.1	Very high	89.3	Confident	12 Å²	12	64.2 Å²	64.2	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-43.6	177	171.8	0	0	0	0	111.9	F868 Q870 N875 E876 I918	F868-V872 HydrophobicContact CD2-CG2 4.3Å; F868-V872 HydrophobicContact CE2-CG2 3.91Å; F868-V872 HydrophobicContact CZ-CG2 4.08Å; F868-V872 WeakPolarHBondContact O-CG2 3.39Å; F868-V872 PolarHBondContact O-N 3.17Å; Q870-V872 PolarHBondContact O-N 3.01Å; V872-N875 PolarHBondContact O-N 3.33Å; V872-E876 PolarHBondContact O-N 2.79Å; V872-E876 VanDerWaalsContact O-N 3.12Å; V872-I918 HydrophobicContact CG1-CG2 3.89Å; V872-I918 HydrophobicContact CG2-CG2 3.95Å
873	K	90.2	Very high	89.4	Confident	136 Å²	136	63 Å²	63	59%	0.591	29%	0.286	S	S	*	.	H	α-helix	trans	-64.6	-38.6	176.9	-77.5	-176.4	176.7	-176.7	0	112.5	Q869 Q870 E876 K877	Q869-K873 WeakPolarHBondContact O-CG 3.42Å; Q869-K873 PolarHBondContact O-N 3.16Å; Q870-K873 PolarHBondContact O-N 3.05Å; K873-E876 WeakPolarHBondContact O-CB 3.48Å; K873-E876 PolarHBondContact O-N 2.97Å; K873-K877 WeakPolarHBondContact O-CB 3.41Å; K873-K877 PolarHBondContact O-N 2.82Å
874	A	91	Very high	89.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-40.4	178.1	0	0	0	0	0	112	Q870 F871 E876 K877 Y878 I886 E889	Q870-A874 WeakPolarHBondContact O-CB 3.48Å; Q870-A874 PolarHBondContact O-N 3.49Å; F871-A874 PolarHBondContact O-N 3.05Å; A874-E876 VanDerWaalsContact C-N 3.33Å; A874-E876 PolarHBondContact O-N 3.37Å; A874-K877 PolarHBondContact O-N 3.46Å; A874-Y878 WeakPolarHBondContact O-CD2 3.39Å; A874-Y878 PolarHBondContact O-N 2.93Å; A874-I886 HydrophobicContact CB-CB 4.28Å; A874-I886 HydrophobicContact CB-CG1 4.11Å; A874-I886 HydrophobicContact CB-CG2 4.06Å; A874-E889 WeakPolarHBondContact CA-OE2 3.22Å; A874-E889 HydrophobicContact CB-CB 4.06Å; A874-E889 HydrophobicContact CB-CG 4.4Å; A874-E889 VanDerWaalsContact CB-OE2 3.28Å; A874-E889 WeakPolarHBondContact CB-OE2 3.43Å
875	N	91.4	Very high	89.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-34.7	172.5	-80.7	-89.8	0	0	0	112.4	F871 V872 G879 I922	F871-N875 WeakPolarHBondContact CE1-ND2 3.4Å; F871-N875 WeakPolarHBondContact CE2-ND2 3.5Å; F871-N875 VanDerWaalsContact CZ-ND2 3.3Å; F871-N875 WeakPolarHBondContact CZ-ND2 3.32Å; F871-N875 PolarHBondContact O-N 3.12Å; F871-N875 VanDerWaalsContact O-N 3.08Å; F871-N875 PolarHBondContact O-ND2 2.93Å; V872-N875 PolarHBondContact O-N 3.33Å; N875-G879 WeakPolarHBondContact O-CA 3.32Å; N875-G879 PolarHBondContact O-N 3.1Å; N875-I922 HydrophobicContact CB-CD1 3.89Å; N875-I922 HydrophobicContact CB-CG1 3.99Å; N875-I922 HydrophobicContact CB-CG2 4.24Å
876	E	89.4	Confident	89.2	Confident	48 Å²	48	59.6 Å²	59.6	22%	0.224	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-39.4	173.1	-179.1	-174.6	-178.6	0	0	112.3	V872 K873 A874 Q921 G925	V872-E876 PolarHBondContact O-N 2.79Å; V872-E876 VanDerWaalsContact O-N 3.12Å; K873-E876 WeakPolarHBondContact O-CB 3.48Å; K873-E876 PolarHBondContact O-N 2.97Å; A874-E876 VanDerWaalsContact C-N 3.33Å; A874-E876 PolarHBondContact O-N 3.37Å; E876-Q921 HydrophobicContact CG-CG 4.25Å; E876-Q921 WeakPolarHBondContact OE2-CG 3.48Å; E876-Q921 PolarHBondContact OE2-NE2 3.25Å; E876-G925 VanDerWaalsContact O-CA 3.28Å; E876-G925 WeakPolarHBondContact O-CA 3.47Å
877	K	86.4	Confident	89.2	Confident	113 Å²	113	51.9 Å²	51.9	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-81.2	-39.4	-172.3	-175.2	176.1	170.8	-171.4	0	113.9	K873 A874 E889 I929	K873-K877 WeakPolarHBondContact O-CB 3.41Å; K873-K877 PolarHBondContact O-N 2.82Å; A874-K877 PolarHBondContact O-N 3.46Å; K877-E889 IonicContact NZ-OE1 2.86Å; K877-E889 PolarHBondContact NZ-OE1 3.38Å; K877-I929 VanDerWaalsContact O-CD1 3.26Å; K877-I929 WeakPolarHBondContact O-CD1 3.44Å
878	Y	87.9	Confident	89	Confident	73 Å²	73	57.9 Å²	57.9	29%	0.286	28%	0.279	S	S	.	.	H	α-helix	trans	-108.4	-14.4	-175.2	-57.7	-70.1	0	0	0	113.5	A874 N885 E889	A874-Y878 WeakPolarHBondContact O-CD2 3.39Å; A874-Y878 PolarHBondContact O-N 2.93Å; Y878-N885 HydrophobicContact CD1-CB 3.62Å; Y878-N885 HydrophobicContact CD2-CB 3.77Å; Y878-N885 HydrophobicContact CE1-CB 3.8Å; Y878-N885 HydrophobicContact CE2-CB 3.93Å; Y878-N885 HydrophobicContact CG-CB 3.61Å; Y878-E889 HydrophobicContact CE2-CB 4.46Å; Y878-E889 WeakPolarHBondContact CE2-OE2 3.42Å
879	G	86.5	Confident	88.7	Confident	4 Å²	4	59.3 Å²	59.3	4%	0.041	29%	0.286	C	S	.	.			trans	83.5	162.2	-173.7	0	0	0	0	0	112.5	N875 T881 D882 I886	N875-G879 WeakPolarHBondContact O-CA 3.32Å; N875-G879 PolarHBondContact O-N 3.1Å; G879-T881 PolarHBondContact O-N 3.45Å; G879-T881 VanDerWaalsContact O-N 3.09Å; G879-D882 PolarHBondContact O-N 3.41Å; G879-I886 WeakPolarHBondContact O-CD1 2.94Å
880	R	87.5	Confident	88.6	Confident	122 Å²	122	54.4 Å²	54.4	46%	0.46	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.1	-170	77	-173.1	96.2	175	6.4	115.5	W906 E926	R880-W906 HydrophobicContact CB-CH2 4.32Å; R880-W906 HydrophobicContact CB-CZ2 3.76Å; R880-E926 WeakPolarHBondContact CB-OE1 3.37Å; R880-E926 WeakPolarHBondContact CG-OE1 3.48Å; R880-E926 IonicContact CZ-OE1 3.07Å; R880-E926 IonicContact CZ-OE2 2.64Å; R880-E926 PolarHBondContact N-OE1 3.48Å; R880-E926 IonicContact NE-OE1 3.32Å; R880-E926 PolarHBondContact NE-OE1 3Å; R880-E926 IonicContact NE-OE2 2.68Å; R880-E926 PolarHBondContact NE-OE2 2.65Å; R880-E926 IonicContact NH2-OE1 3.53Å; R880-E926 IonicContact NH2-OE2 3.3Å; R880-E926 PolarHBondContact NH2-OE2 3.15Å
881	T	85.2	Confident	88.2	Confident	126 Å²	126	56.9 Å²	56.9	77%	0.773	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-19.5	-172.7	52.2	0	0	0	0	113.8	G879 M883	G879-T881 PolarHBondContact O-N 3.45Å; G879-T881 VanDerWaalsContact O-N 3.09Å; T881-M883 VanDerWaalsContact C-N 3.34Å; T881-M883 PolarHBondContact O-N 3.11Å; T881-M883 VanDerWaalsContact O-N 3.09Å
882	D	86.2	Confident	87.7	Confident	45 Å²	45	59 Å²	59	24%	0.241	30%	0.3	C	S	.	.			trans	-90.3	69	-174.7	-167.7	-7.1	0	0	0	111.7	G879 T884 N885 I886	G879-D882 PolarHBondContact O-N 3.41Å; D882-T884 PolarHBondContact O-N 3.48Å; D882-T884 PolarHBondContact OD1-OG1 3.47Å; D882-N885 PolarHBondContact O-N 3.3Å; D882-N885 PolarHBondContact OD1-N 3.43Å; D882-N885 PolarHBondContact OD2-ND2 2.83Å; D882-I886 WeakPolarHBondContact O-CD1 3.31Å; D882-I886 VanDerWaalsContact O-CG1 3.26Å; D882-I886 WeakPolarHBondContact O-CG1 3.43Å; D882-I886 PolarHBondContact O-N 3.24Å
883	M	86.7	Confident	87.5	Confident	51 Å²	51	59.6 Å²	59.6	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-30.6	-178.5	-170.3	56.7	62.6	0	0	112.5	T881 I886 S887 V898	T881-M883 VanDerWaalsContact C-N 3.34Å; T881-M883 PolarHBondContact O-N 3.11Å; T881-M883 VanDerWaalsContact O-N 3.09Å; M883-I886 PolarHBondContact O-N 3.05Å; M883-S887 VanDerWaalsContact O-CB 3.32Å; M883-S887 WeakPolarHBondContact O-CB 3.44Å; M883-S887 PolarHBondContact O-N 3.17Å; M883-S887 PolarHBondContact O-OG 3.43Å; M883-V898 HydrophobicContact SD-CG1 3.91Å
884	T	86.2	Confident	87.4	Confident	92 Å²	92	55.9 Å²	55.9	56%	0.564	29%	0.29	S	S	*	.	H	α-helix	trans	-61.3	-52.4	-179.9	-17.2	0	0	0	0	111.2	D882 S887 K888	D882-T884 PolarHBondContact O-N 3.48Å; D882-T884 PolarHBondContact OD1-OG1 3.47Å; T884-S887 PolarHBondContact O-OG 3.37Å; T884-K888 PolarHBondContact O-N 3.24Å
885	N	87.3	Confident	87.3	Confident	53 Å²	53	59.8 Å²	59.8	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-74.3	-32.5	179.7	-72.6	-37.1	0	0	0	112	Y878 D882 S887 K888 E889	Y878-N885 HydrophobicContact CD1-CB 3.62Å; Y878-N885 HydrophobicContact CD2-CB 3.77Å; Y878-N885 HydrophobicContact CE1-CB 3.8Å; Y878-N885 HydrophobicContact CE2-CB 3.93Å; Y878-N885 HydrophobicContact CG-CB 3.61Å; D882-N885 PolarHBondContact O-N 3.3Å; D882-N885 PolarHBondContact OD1-N 3.43Å; D882-N885 PolarHBondContact OD2-ND2 2.83Å; N885-S887 PolarHBondContact O-N 3.01Å; N885-K888 PolarHBondContact O-N 3.13Å; N885-E889 PolarHBondContact O-N 3.43Å
886	I	89.9	Confident	87.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.6	-45.7	173	-66.9	166.2	0	0	0	110.9	F871 A874 G879 D882 M883 K888 E889 V890 V898	F871-I886 HydrophobicContact CD2-CG2 3.93Å; F871-I886 HydrophobicContact CE2-CG2 4.03Å; A874-I886 HydrophobicContact CB-CB 4.28Å; A874-I886 HydrophobicContact CB-CG1 4.11Å; A874-I886 HydrophobicContact CB-CG2 4.06Å; G879-I886 WeakPolarHBondContact O-CD1 2.94Å; D882-I886 WeakPolarHBondContact O-CD1 3.31Å; D882-I886 VanDerWaalsContact O-CG1 3.26Å; D882-I886 WeakPolarHBondContact O-CG1 3.43Å; D882-I886 PolarHBondContact O-N 3.24Å; M883-I886 PolarHBondContact O-N 3.05Å; I886-K888 VanDerWaalsContact C-N 3.25Å; I886-K888 PolarHBondContact O-N 3.34Å; I886-E889 PolarHBondContact O-N 3Å; I886-V890 WeakPolarHBondContact O-CG2 3.45Å; I886-V890 PolarHBondContact O-N 3.48Å; I886-V898 HydrophobicContact CG2-CG1 4.07Å
887	S	88.8	Confident	87.2	Confident	22 Å²	22	67.8 Å²	67.8	15%	0.154	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-27.3	-179.8	68.4	0	0	0	0	113.7	M883 T884 N885	M883-S887 VanDerWaalsContact O-CB 3.32Å; M883-S887 WeakPolarHBondContact O-CB 3.44Å; M883-S887 PolarHBondContact O-N 3.17Å; M883-S887 PolarHBondContact O-OG 3.43Å; T884-S887 PolarHBondContact O-OG 3.37Å; N885-S887 PolarHBondContact O-N 3.01Å
888	K	87.8	Confident	87.4	Confident	148 Å²	148	62.4 Å²	62.4	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-77.4	-24.9	176.4	-71.8	-180	-180	-177.7	0	113.7	T884 N885 I886	T884-K888 PolarHBondContact O-N 3.24Å; N885-K888 PolarHBondContact O-N 3.13Å; I886-K888 VanDerWaalsContact C-N 3.25Å; I886-K888 PolarHBondContact O-N 3.34Å
889	E	86.8	Confident	87.6	Confident	54 Å²	54	63.6 Å²	63.6	25%	0.252	34%	0.338	S	S	.	.	H	α-helix	trans	-93.3	-11.6	-177.3	-162.7	166.5	-139	0	0	112.8	A874 K877 Y878 N885 I886	A874-E889 WeakPolarHBondContact CA-OE2 3.22Å; A874-E889 HydrophobicContact CB-CB 4.06Å; A874-E889 HydrophobicContact CB-CG 4.4Å; A874-E889 VanDerWaalsContact CB-OE2 3.28Å; A874-E889 WeakPolarHBondContact CB-OE2 3.43Å; K877-E889 IonicContact NZ-OE1 2.86Å; K877-E889 PolarHBondContact NZ-OE1 3.38Å; Y878-E889 HydrophobicContact CE2-CB 4.46Å; Y878-E889 WeakPolarHBondContact CE2-OE2 3.42Å; N885-E889 PolarHBondContact O-N 3.43Å; I886-E889 PolarHBondContact O-N 3Å
890	V	88.5	Confident	87.8	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.012	36%	0.356	C	S	.	.	S	Bend	trans	-95.1	92.2	174.6	-176.1	0	0	0	0	109.5	W863 D867 Q870 F871 I886 G892 K893 V898	W863-V890 HydrophobicContact CH2-CG1 4.35Å; W863-V890 HydrophobicContact CZ3-CG1 4.35Å; D867-V890 HydrophobicContact CB-CG1 4.42Å; Q870-V890 HydrophobicContact CB-CG2 4.36Å; F871-V890 HydrophobicContact CB-CG2 4Å; F871-V890 HydrophobicContact CD2-CG2 4.45Å; I886-V890 WeakPolarHBondContact O-CG2 3.45Å; I886-V890 PolarHBondContact O-N 3.48Å; V890-G892 PolarHBondContact O-N 2.91Å; V890-K893 HydrophobicContact CG1-CB 4.2Å; V890-K893 HydrophobicContact CG1-CG 3.85Å; V890-V898 HydrophobicContact CB-CG2 4.29Å; V890-V898 HydrophobicContact CG1-CG2 4.4Å
891	D	82.6	Confident	88.1	Confident	93 Å²	93	60.4 Å²	60.4	50%	0.497	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	133	-175.6	-57.7	-42.1	0	0	0	111.4	Q870	Q870-D891 PolarHBondContact NE2-OD2 2.68Å
892	G	83	Confident	88.4	Confident	45 Å²	45	54.9 Å²	54.9	46%	0.464	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	0.9	170.6	0	0	0	0	0	116.1	K63 V890	K63-G892 VanDerWaalsContact NZ-C 3.35Å; K63-G892 PolarHBondContact NZ-O 3.07Å; V890-G892 PolarHBondContact O-N 2.91Å
893	K	87.3	Confident	88.6	Confident	25 Å²	25	58.6 Å²	58.6	11%	0.109	32%	0.318	C	S	.	.			trans	-107	146.6	172.5	-61.1	-60.9	-179.8	-177	0	112.2	N862 W863 D867 V890 E897 V898	N862-K893 PolarHBondContact ND2-NZ 2.97Å; N862-K893 PolarHBondContact O-NZ 3.38Å; W863-K893 HydrophobicContact CH2-CG 4.43Å; W863-K893 HydrophobicContact CZ2-CD 4.41Å; W863-K893 HydrophobicContact CZ2-CG 4.19Å; D867-K893 WeakPolarHBondContact OD2-CE 3.34Å; D867-K893 IonicContact OD2-NZ 2.67Å; V890-K893 HydrophobicContact CG1-CB 4.2Å; V890-K893 HydrophobicContact CG1-CG 3.85Å; K893-E897 VanDerWaalsContact CA-OE2 3.31Å; K893-E897 WeakPolarHBondContact CA-OE2 3.33Å; K893-E897 HydrophobicContact CB-CB 4.38Å; K893-E897 WeakPolarHBondContact CD-OE2 3.46Å; K893-V898 HydrophobicContact CB-CG2 3.6Å; K893-V898 HydrophobicContact CG-CG2 4.48Å
894	T	88.4	Confident	88.8	Confident	57 Å²	57	57.8 Å²	57.8	35%	0.35	32%	0.316	S	S	.	.			trans	-76.7	155.3	171.2	69.4	0	0	0	0	110.3	E896 E897 V898	T894-E896 PolarHBondContact O-N 3.44Å; T894-E896 VanDerWaalsContact O-N 3.15Å; T894-E897 PolarHBondContact N-OE2 2.8Å; T894-E897 WeakPolarHBondContact O-CB 3.47Å; T894-E897 PolarHBondContact O-N 3.31Å; T894-E897 WeakPolarHBondContact OG1-CG 3.34Å; T894-E897 PolarHBondContact OG1-N 3.09Å; T894-V898 WeakPolarHBondContact O-CG2 3.49Å; T894-V898 PolarHBondContact O-N 3.06Å
895	P	88.7	Confident	89.1	Confident	82 Å²	82	53.4 Å²	53.4	53%	0.532	29%	0.289	S	S	.	.	H	α-helix	trans	-53.8	-34.5	175.5	-27.5	35.2	0	0	0	113.4	Q899	P895-Q899 WeakPolarHBondContact O-CB 3.22Å; P895-Q899 PolarHBondContact O-N 3.44Å
896	E	89	Confident	89.3	Confident	154 Å²	154	54.7 Å²	54.7	72%	0.72	29%	0.29	S	S	*	.	H	α-helix	trans	-68.4	-42.2	176.7	-64.7	166.8	179.4	0	0	112.3	T894 Q899 S900	T894-E896 PolarHBondContact O-N 3.44Å; T894-E896 VanDerWaalsContact O-N 3.15Å; E896-Q899 PolarHBondContact O-N 3.06Å; E896-S900 WeakPolarHBondContact O-CB 3.34Å; E896-S900 PolarHBondContact O-N 3.15Å
897	E	90.5	Very high	89.4	Confident	62 Å²	62	57.9 Å²	57.9	29%	0.29	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-43.3	174.7	-74.4	178.4	137.3	0	0	111.4	N862 K893 T894 Q899 S900 Y901	N862-E897 PolarHBondContact ND2-OE1 3.18Å; K893-E897 VanDerWaalsContact CA-OE2 3.31Å; K893-E897 WeakPolarHBondContact CA-OE2 3.33Å; K893-E897 HydrophobicContact CB-CB 4.38Å; K893-E897 WeakPolarHBondContact CD-OE2 3.46Å; T894-E897 PolarHBondContact N-OE2 2.8Å; T894-E897 WeakPolarHBondContact O-CB 3.47Å; T894-E897 PolarHBondContact O-N 3.31Å; T894-E897 WeakPolarHBondContact OG1-CG 3.34Å; T894-E897 PolarHBondContact OG1-N 3.09Å; E897-Q899 VanDerWaalsContact C-N 3.33Å; E897-S900 PolarHBondContact O-N 2.87Å; E897-Y901 WeakPolarHBondContact O-CB 3.24Å; E897-Y901 PolarHBondContact O-N 3.2Å
898	V	91.4	Very high	89.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.8	-39	177.3	179.7	0	0	0	0	110.8	W863 F871 M883 I886 V890 K893 T894 S902	W863-V898 HydrophobicContact CH2-CG2 4.44Å; F871-V898 HydrophobicContact CD2-CG1 4.16Å; F871-V898 HydrophobicContact CE2-CG1 4.19Å; M883-V898 HydrophobicContact SD-CG1 3.91Å; I886-V898 HydrophobicContact CG2-CG1 4.07Å; V890-V898 HydrophobicContact CB-CG2 4.29Å; V890-V898 HydrophobicContact CG1-CG2 4.4Å; K893-V898 HydrophobicContact CB-CG2 3.6Å; K893-V898 HydrophobicContact CG-CG2 4.48Å; T894-V898 WeakPolarHBondContact O-CG2 3.49Å; T894-V898 PolarHBondContact O-N 3.06Å; V898-S902 VanDerWaalsContact O-CB 3.26Å; V898-S902 WeakPolarHBondContact O-CB 3.3Å; V898-S902 PolarHBondContact O-N 3.04Å
899	Q	91.4	Very high	89.5	Confident	98 Å²	98	53.2 Å²	53.2	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-66.7	-45	177.2	-171.7	175	20.3	0	0	112.2	P895 E896 E897 S902 M903	P895-Q899 WeakPolarHBondContact O-CB 3.22Å; P895-Q899 PolarHBondContact O-N 3.44Å; E896-Q899 PolarHBondContact O-N 3.06Å; E897-Q899 VanDerWaalsContact C-N 3.33Å; Q899-S902 PolarHBondContact O-N 3.45Å; Q899-M903 HydrophobicContact CG-CE 4.03Å; Q899-M903 WeakPolarHBondContact O-CG 3.48Å; Q899-M903 PolarHBondContact O-N 3.37Å
900	S	90.2	Very high	89.5	Confident	60 Å²	60	57.2 Å²	57.2	42%	0.42	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-43.1	176.4	-178	0	0	0	0	112	E896 E897 T904	E896-S900 WeakPolarHBondContact O-CB 3.34Å; E896-S900 PolarHBondContact O-N 3.15Å; E897-S900 PolarHBondContact O-N 2.87Å; S900-T904 PolarHBondContact O-N 2.78Å; S900-T904 PolarHBondContact O-OG1 3.12Å
901	Y	93.4	Very high	89.4	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-43.1	175	-173	-94.8	0	0	0	111.9	F790 F792 F860 W863 F868 F871 E897 M903 T904 F905	F790-Y901 WeakPolarHBondContact O-CE2 3.49Å; F790-Y901 PolarHBondContact O-OH 2.96Å; F792-Y901 HydrophobicContact CD2-CE2 4.28Å; F792-Y901 HydrophobicContact CE2-CE2 4.08Å; F860-Y901 HydrophobicContact CB-CD2 4.2Å; F860-Y901 HydrophobicContact CB-CE2 4.3Å; F860-Y901 AromaticContact CD1-CD2 3.87Å; F860-Y901 HydrophobicContact CD1-CD2 3.87Å; F860-Y901 AromaticContact CD2-CD2 3.97Å; F860-Y901 HydrophobicContact CD2-CD2 3.97Å; F860-Y901 HydrophobicContact CD2-CE2 4.31Å; F860-Y901 HydrophobicContact CE1-CD2 4.21Å; F860-Y901 HydrophobicContact CE2-CD2 4.3Å; F860-Y901 AromaticContact CG-CD2 3.74Å; F860-Y901 HydrophobicContact CG-CD2 3.74Å; F860-Y901 HydrophobicContact CG-CE2 4.21Å; F860-Y901 HydrophobicContact CZ-CD2 4.42Å; W863-Y901 HydrophobicContact CB-CE2 4.48Å; W863-Y901 AromaticContact CD1-CD2 3.96Å; W863-Y901 HydrophobicContact CD2-CD1 4.29Å; W863-Y901 AromaticContact CD2-CD2 3.5Å; W863-Y901 HydrophobicContact CD2-CD2 3.5Å; W863-Y901 VanDerWaalsContact CD2-CD2 3.5Å; W863-Y901 HydrophobicContact CD2-CE1 4.45Å; W863-Y901 AromaticContact CD2-CE2 3.68Å; W863-Y901 HydrophobicContact CD2-CE2 3.68Å; W863-Y901 AromaticContact CD2-CG 3.82Å; W863-Y901 HydrophobicContact CD2-CG 3.82Å; W863-Y901 AromaticContact CE2-CD2 3.41Å; W863-Y901 VanDerWaalsContact CE2-CD2 3.41Å; W863-Y901 AromaticContact CE2-CG 3.44Å; W863-Y901 VanDerWaalsContact CE2-CG 3.44Å; W863-Y901 AromaticContact CE3-CD1 3.97Å; W863-Y901 HydrophobicContact CE3-CD1 3.97Å; W863-Y901 AromaticContact CE3-CD2 3.94Å; W863-Y901 HydrophobicContact CE3-CD2 3.94Å; W863-Y901 AromaticContact CE3-CE1 3.9Å; W863-Y901 HydrophobicContact CE3-CE1 3.9Å; W863-Y901 AromaticContact CE3-CE2 3.85Å; W863-Y901 HydrophobicContact CE3-CE2 3.85Å; W863-Y901 AromaticContact CE3-CG 3.99Å; W863-Y901 HydrophobicContact CE3-CG 3.99Å; W863-Y901 AromaticContact CE3-CZ 3.83Å; W863-Y901 AromaticContact CG-CD2 3.91Å; W863-Y901 HydrophobicContact CG-CD2 3.91Å; W863-Y901 AromaticContact CG-CE2 3.95Å; W863-Y901 HydrophobicContact CG-CE2 3.95Å; W863-Y901 AromaticContact CH2-CD1 3.44Å; W863-Y901 HydrophobicContact CH2-CD1 3.44Å; W863-Y901 VanDerWaalsContact CH2-CD1 3.44Å; W863-Y901 HydrophobicContact CH2-CD2 4.23Å; W863-Y901 HydrophobicContact CH2-CE1 4.12Å; W863-Y901 AromaticContact CH2-CG 3.51Å; W863-Y901 HydrophobicContact CH2-CG 3.51Å; W863-Y901 AromaticContact CZ2-CD1 3.8Å; W863-Y901 HydrophobicContact CZ2-CD1 3.8Å; W863-Y901 AromaticContact CZ2-CD2 3.83Å; W863-Y901 HydrophobicContact CZ2-CD2 3.83Å; W863-Y901 AromaticContact CZ2-CG 3.31Å; W863-Y901 HydrophobicContact CZ2-CG 3.31Å; W863-Y901 AromaticContact CZ3-CD1 3.53Å; W863-Y901 HydrophobicContact CZ3-CD1 3.53Å; W863-Y901 HydrophobicContact CZ3-CD2 4.27Å; W863-Y901 AromaticContact CZ3-CE1 3.71Å; W863-Y901 HydrophobicContact CZ3-CE1 3.71Å; W863-Y901 HydrophobicContact CZ3-CE2 4.41Å; W863-Y901 AromaticContact CZ3-CG 3.84Å; W863-Y901 HydrophobicContact CZ3-CG 3.84Å; W863-Y901 AromaticContact NE1-CD2 3.66Å; F868-Y901 HydrophobicContact CD2-CE1 4.5Å; F868-Y901 VanDerWaalsContact CD2-OH 3.25Å; F868-Y901 WeakPolarHBondContact CD2-OH 3.31Å; F871-Y901 HydrophobicContact CD1-CD1 4.28Å; F871-Y901 AromaticContact CD1-CE1 3.99Å; F871-Y901 HydrophobicContact CD1-CE1 3.99Å; F871-Y901 HydrophobicContact CD2-CD1 4.47Å; F871-Y901 HydrophobicContact CE1-CD1 4.3Å; F871-Y901 HydrophobicContact CE1-CE1 4.23Å; F871-Y901 HydrophobicContact CE2-CD1 4.49Å; F871-Y901 HydrophobicContact CG-CD1 4.37Å; F871-Y901 HydrophobicContact CG-CE1 4.33Å; F871-Y901 HydrophobicContact CZ-CD1 4.41Å; E897-Y901 WeakPolarHBondContact O-CB 3.24Å; E897-Y901 PolarHBondContact O-N 3.2Å; Y901-M903 PolarHBondContact O-N 2.81Å; Y901-T904 PolarHBondContact O-N 3.05Å; Y901-F905 HydrophobicContact CD1-CB 4.36Å; Y901-F905 HydrophobicContact CE1-CB 4.23Å; Y901-F905 HydrophobicContact CE1-CD2 4.41Å; Y901-F905 VanDerWaalsContact O-CB 3.24Å; Y901-F905 WeakPolarHBondContact O-CB 3.17Å; Y901-F905 PolarHBondContact O-N 3.04Å
902	S	91.8	Very high	89.7	Confident	9 Å²	9	57 Å²	57	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-58.6	-44.6	177.6	-175.9	0	0	0	0	112.1	V898 Q899 T904 F905 W906	V898-S902 VanDerWaalsContact O-CB 3.26Å; V898-S902 WeakPolarHBondContact O-CB 3.3Å; V898-S902 PolarHBondContact O-N 3.04Å; Q899-S902 PolarHBondContact O-N 3.45Å; S902-T904 VanDerWaalsContact C-N 3.33Å; S902-T904 PolarHBondContact O-N 3.1Å; S902-F905 PolarHBondContact O-N 3.26Å; S902-W906 PolarHBondContact O-N 3.11Å; S902-W906 PolarHBondContact OG-NE1 2.89Å
903	M	91.6	Very high	89.6	Confident	123 Å²	123	61.5 Å²	61.5	61%	0.606	32%	0.321	S	S	*	.	H	α-helix	trans	-59.5	-43.7	175.9	-70.1	-178.2	-174.3	0	0	112	Q899 Y901 A907	Q899-M903 HydrophobicContact CG-CE 4.03Å; Q899-M903 WeakPolarHBondContact O-CG 3.48Å; Q899-M903 PolarHBondContact O-N 3.37Å; Y901-M903 PolarHBondContact O-N 2.81Å; M903-A907 WeakPolarHBondContact O-CB 3.36Å; M903-A907 PolarHBondContact O-N 3.34Å
904	T	90.6	Very high	89.4	Confident	35 Å²	35	64.7 Å²	64.7	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-72.8	-39.1	179.8	-50.6	0	0	0	0	112	F792 F860 S900 Y901 S902 A907 R908	F792-T904 HydrophobicContact CB-CG2 4.27Å; F792-T904 HydrophobicContact CD2-CG2 4.25Å; F792-T904 HydrophobicContact CG-CG2 4.21Å; F860-T904 HydrophobicContact CE2-CG2 3.73Å; F860-T904 WeakPolarHBondContact CE2-OG1 3.45Å; F860-T904 HydrophobicContact CZ-CG2 4.47Å; F860-T904 WeakPolarHBondContact CZ-OG1 3.5Å; S900-T904 PolarHBondContact O-N 2.78Å; S900-T904 PolarHBondContact O-OG1 3.12Å; Y901-T904 PolarHBondContact O-N 3.05Å; S902-T904 VanDerWaalsContact C-N 3.33Å; S902-T904 PolarHBondContact O-N 3.1Å; T904-A907 PolarHBondContact O-N 3.35Å; T904-R908 WeakPolarHBondContact O-CB 3.24Å; T904-R908 PolarHBondContact O-N 2.73Å
905	F	93	Very high	89.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-52	175.9	173.7	-94.7	0	0	0	110.4	F792 F868 F871 Y901 S902 A907 R908 V909 L912 I918	F792-F905 HydrophobicContact CE2-CB 4.47Å; F792-F905 HydrophobicContact CZ-CD2 4.17Å; F868-F905 HydrophobicContact CE2-CD2 4.31Å; F868-F905 AromaticContact CE2-CE2 3.91Å; F868-F905 HydrophobicContact CE2-CE2 3.91Å; F871-F905 HydrophobicContact CE1-CB 4.23Å; F871-F905 AromaticContact CE1-CD1 3.67Å; F871-F905 HydrophobicContact CE1-CD1 3.67Å; F871-F905 HydrophobicContact CE1-CD2 4.2Å; F871-F905 HydrophobicContact CE1-CE1 4.03Å; F871-F905 AromaticContact CE1-CG 3.76Å; F871-F905 HydrophobicContact CE1-CG 3.76Å; F871-F905 HydrophobicContact CE1-CZ 4.45Å; F871-F905 HydrophobicContact CZ-CD1 4.28Å; F871-F905 HydrophobicContact CZ-CG 4.48Å; Y901-F905 HydrophobicContact CD1-CB 4.36Å; Y901-F905 HydrophobicContact CE1-CB 4.23Å; Y901-F905 HydrophobicContact CE1-CD2 4.41Å; Y901-F905 VanDerWaalsContact O-CB 3.24Å; Y901-F905 WeakPolarHBondContact O-CB 3.17Å; Y901-F905 PolarHBondContact O-N 3.04Å; S902-F905 PolarHBondContact O-N 3.26Å; F905-A907 VanDerWaalsContact C-N 3.31Å; F905-A907 PolarHBondContact O-N 2.74Å; F905-R908 CarbonylContact O-C 3.38Å; F905-R908 PolarHBondContact O-N 2.81Å; F905-V909 HydrophobicContact CE1-CG2 4.28Å; F905-V909 HydrophobicContact CE2-CG2 4.16Å; F905-V909 HydrophobicContact CZ-CG2 3.88Å; F905-V909 VanDerWaalsContact O-CA 3.27Å; F905-V909 WeakPolarHBondContact O-CA 3.4Å; F905-V909 VanDerWaalsContact O-CB 3.23Å; F905-V909 WeakPolarHBondContact O-CB 3.37Å; F905-V909 PolarHBondContact O-N 2.9Å; F905-L912 HydrophobicContact CD2-CD1 4.17Å; F905-L912 HydrophobicContact CE2-CD1 3.68Å; F905-I918 HydrophobicContact CZ-CG2 3.96Å
906	W	91.4	Very high	89.2	Confident	79 Å²	79	67.2 Å²	67.2	30%	0.299	34%	0.343	S	S	.	.	H	α-helix	trans	-67.5	-29.8	-180	-68.2	116.5	0	0	0	113.3	R880 S902 L919 I922	R880-W906 HydrophobicContact CB-CH2 4.32Å; R880-W906 HydrophobicContact CB-CZ2 3.76Å; S902-W906 PolarHBondContact O-N 3.11Å; S902-W906 PolarHBondContact OG-NE1 2.89Å; W906-L919 HydrophobicContact CE3-CD2 4.44Å; W906-L919 HydrophobicContact CH2-CD2 4.49Å; W906-L919 HydrophobicContact CZ3-CD2 3.64Å; W906-I922 HydrophobicContact CH2-CD1 3.9Å; W906-I922 HydrophobicContact CH2-CG2 4.27Å; W906-I922 HydrophobicContact CZ2-CD1 4.44Å
907	A	90.7	Very high	89.2	Confident	67 Å²	67	68.2 Å²	68.2	55%	0.554	34%	0.34	S	S	*	.	H	α-helix	trans	-74.4	-36	175.8	0	0	0	0	0	113.3	M903 T904 F905 H910	M903-A907 WeakPolarHBondContact O-CB 3.36Å; M903-A907 PolarHBondContact O-N 3.34Å; T904-A907 PolarHBondContact O-N 3.35Å; F905-A907 VanDerWaalsContact C-N 3.31Å; F905-A907 PolarHBondContact O-N 2.74Å; A907-H910 PolarHBondContact O-CE1 3.09Å
908	R	90.1	Very high	89.1	Confident	56 Å²	56	66 Å²	66	21%	0.211	33%	0.329	C	S	.	.	H	α-helix	trans	-118.9	15.4	-170.9	-64	175.7	70	-169.7	-7.8	113.8	F792 Y793 T904 F905 H910 E911	F792-R908 HydrophobicContact CD1-CB 3.69Å; F792-R908 HydrophobicContact CE1-CB 3.77Å; F792-R908 WeakPolarHBondContact CE1-O 3.18Å; F792-R908 VanDerWaalsContact O-CZ 3.31Å; F792-R908 PolarHBondContact O-NH1 2.8Å; F792-R908 PolarHBondContact O-NH2 3.11Å; F792-R908 VanDerWaalsContact O-NH2 3.17Å; Y793-R908 PolarHBondContact O-NH2 2.86Å; T904-R908 WeakPolarHBondContact O-CB 3.24Å; T904-R908 PolarHBondContact O-N 2.73Å; F905-R908 CarbonylContact O-C 3.38Å; F905-R908 PolarHBondContact O-N 2.81Å; R908-H910 PolarHBondContact O-N 2.91Å; R908-E911 HydrophobicContact CB-CG 4.4Å; R908-E911 IonicContact CZ-OE1 3.69Å; R908-E911 IonicContact CZ-OE2 3.91Å; R908-E911 VanDerWaalsContact CZ-OE2 3.3Å; R908-E911 VanDerWaalsContact NE-CD 3.28Å; R908-E911 IonicContact NE-OE1 3.9Å; R908-E911 PolarHBondContact NE-OE1 2.9Å; R908-E911 IonicContact NE-OE2 2.78Å; R908-E911 PolarHBondContact NE-OE2 2.87Å; R908-E911 VanDerWaalsContact NE-OE2 3.16Å; R908-E911 IonicContact NH2-OE1 2.92Å; R908-E911 PolarHBondContact NH2-OE1 2.87Å; R908-E911 IonicContact NH2-OE2 3.27Å; R908-E911 PolarHBondContact NH2-OE2 2.88Å; R908-E911 WeakPolarHBondContact O-CB 3.37Å; R908-E911 PolarHBondContact O-N 3.45Å
909	V	88.3	Confident	89	Confident	17 Å²	17	68.5 Å²	68.5	10%	0.103	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-53.4	-30.5	-178.7	69.9	0	0	0	0	112.7	F905 E911 L912 A915 L919	F905-V909 HydrophobicContact CE1-CG2 4.28Å; F905-V909 HydrophobicContact CE2-CG2 4.16Å; F905-V909 HydrophobicContact CZ-CG2 3.88Å; F905-V909 VanDerWaalsContact O-CA 3.27Å; F905-V909 WeakPolarHBondContact O-CA 3.4Å; F905-V909 VanDerWaalsContact O-CB 3.23Å; F905-V909 WeakPolarHBondContact O-CB 3.37Å; F905-V909 PolarHBondContact O-N 2.9Å; V909-E911 PolarHBondContact O-N 3.32Å; V909-L912 HydrophobicContact CG2-CD1 4.28Å; V909-L912 WeakPolarHBondContact O-CB 3.48Å; V909-L912 PolarHBondContact O-N 3.47Å; V909-A915 WeakPolarHBondContact O-CB 3.23Å; V909-L919 HydrophobicContact CG1-CD1 4.25Å; V909-L919 HydrophobicContact CG2-CD1 4.5Å; V909-L919 HydrophobicContact CG2-CD2 4.24Å; V909-L919 HydrophobicContact CG2-CG 4.26Å
910	H	88	Confident	88.8	Confident	138 Å²	138	65 Å²	65	64%	0.639	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-68.5	-12.4	178.8	63.1	-86.5	0	0	0	114.4	A907 R908	A907-H910 PolarHBondContact O-CE1 3.09Å; R908-H910 PolarHBondContact O-N 2.91Å
911	E	86.6	Confident	88.7	Confident	80 Å²	80	64.3 Å²	64.3	37%	0.374	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-84.5	-12.3	174.8	-61.5	-179.8	-162.9	0	0	113.1	R908 V909	R908-E911 HydrophobicContact CB-CG 4.4Å; R908-E911 IonicContact CZ-OE1 3.69Å; R908-E911 IonicContact CZ-OE2 3.91Å; R908-E911 VanDerWaalsContact CZ-OE2 3.3Å; R908-E911 VanDerWaalsContact NE-CD 3.28Å; R908-E911 IonicContact NE-OE1 3.9Å; R908-E911 PolarHBondContact NE-OE1 2.9Å; R908-E911 IonicContact NE-OE2 2.78Å; R908-E911 PolarHBondContact NE-OE2 2.87Å; R908-E911 VanDerWaalsContact NE-OE2 3.16Å; R908-E911 IonicContact NH2-OE1 2.92Å; R908-E911 PolarHBondContact NH2-OE1 2.87Å; R908-E911 IonicContact NH2-OE2 3.27Å; R908-E911 PolarHBondContact NH2-OE2 2.88Å; R908-E911 WeakPolarHBondContact O-CB 3.37Å; R908-E911 PolarHBondContact O-N 3.45Å; V909-E911 PolarHBondContact O-N 3.32Å
912	L	87.7	Confident	88.6	Confident	10 Å²	10	64.5 Å²	64.5	5%	0.052	32%	0.324	C	S	.	.	S	Bend	trans	-77.9	139.4	177.5	-63.4	171.8	0	0	0	110.8	D789 F790 F792 F868 F905 V909 D914 A915 I918	D789-L912 HydrophobicContact CB-CD2 4.19Å; F790-L912 HydrophobicContact CB-CD2 4.15Å; F792-L912 HydrophobicContact CE1-CD2 4.25Å; F792-L912 HydrophobicContact CE1-CG 4.24Å; F792-L912 HydrophobicContact CZ-CD1 4.29Å; F792-L912 HydrophobicContact CZ-CD2 4.17Å; F792-L912 HydrophobicContact CZ-CG 4.25Å; F868-L912 HydrophobicContact CE2-CD1 4.15Å; F868-L912 HydrophobicContact CZ-CD1 4.05Å; F905-L912 HydrophobicContact CD2-CD1 4.17Å; F905-L912 HydrophobicContact CE2-CD1 3.68Å; V909-L912 HydrophobicContact CG2-CD1 4.28Å; V909-L912 WeakPolarHBondContact O-CB 3.48Å; V909-L912 PolarHBondContact O-N 3.47Å; L912-D914 PolarHBondContact O-N 3.43Å; L912-A915 HydrophobicContact CB-CB 4.43Å; L912-A915 WeakPolarHBondContact O-CB 3.38Å; L912-A915 PolarHBondContact O-N 2.99Å; L912-I918 HydrophobicContact CD1-CD1 4.24Å
913	N	82.3	Confident	88.5	Confident	140 Å²	140	69 Å²	69	75%	0.749	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31	180	-66.1	-60.6	0	0	0	113.1	D789	D789-N913 PolarHBondContact OD2-N 3.28Å; D789-N913 PolarHBondContact OD2-ND2 3.39Å
914	D	83.1	Confident	88.3	Confident	92 Å²	92	69.6 Å²	69.6	49%	0.492	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	25.9	-177.1	-70.8	-37.2	0	0	0	113.5	L912 E916 R917 I918	L912-D914 PolarHBondContact O-N 3.43Å; D914-E916 PolarHBondContact O-N 2.98Å; D914-R917 PolarHBondContact O-N 2.91Å; D914-I918 HydrophobicContact CB-CD1 4.21Å; D914-I918 WeakPolarHBondContact O-CG1 3.39Å; D914-I918 PolarHBondContact O-N 3.17Å; D914-I918 VanDerWaalsContact O-N 3.15Å
915	A	86.2	Confident	88	Confident	15 Å²	15	68.1 Å²	68.1	12%	0.124	33%	0.331	C	S	.	.	H	α-helix	trans	-53.7	-48.7	-170.8	0	0	0	0	0	114.7	V909 L912 R917 I918 L919	V909-A915 WeakPolarHBondContact O-CB 3.23Å; L912-A915 HydrophobicContact CB-CB 4.43Å; L912-A915 WeakPolarHBondContact O-CB 3.38Å; L912-A915 PolarHBondContact O-N 2.99Å; A915-R917 VanDerWaalsContact C-N 3.32Å; A915-R917 PolarHBondContact O-N 2.81Å; A915-I918 PolarHBondContact O-N 2.9Å; A915-L919 WeakPolarHBondContact O-CG 3.43Å; A915-L919 PolarHBondContact O-N 2.81Å
916	E	86.3	Confident	87.8	Confident	177 Å²	177	70 Å²	70	83%	0.827	34%	0.34	S	S	*	.	H	α-helix	trans	-62.8	-39.2	-177.9	-68.2	-170.2	163.3	0	0	112.5	D914 G920	D914-E916 PolarHBondContact O-N 2.98Å; E916-G920 PolarHBondContact O-N 2.83Å
917	R	87.9	Confident	87.5	Confident	175 Å²	175	71.8 Å²	71.8	66%	0.66	35%	0.353	S	S	*	.	H	α-helix	trans	-67.3	-41.8	179.8	177.9	-177	146.7	175.8	-4.9	111.2	D914 A915 Q921	D914-R917 PolarHBondContact O-N 2.91Å; A915-R917 VanDerWaalsContact C-N 3.32Å; A915-R917 PolarHBondContact O-N 2.81Å; R917-Q921 WeakPolarHBondContact O-CB 3.48Å; R917-Q921 PolarHBondContact O-N 2.75Å; R917-Q921 VanDerWaalsContact O-N 3.13Å
918	I	88.4	Confident	87.1	Confident	14 Å²	14	75.4 Å²	75.4	7%	0.072	35%	0.352	C	S	.	.	H	α-helix	trans	-66.4	-47.7	179.8	-66.3	165	0	0	0	110.4	F868 V872 F905 L912 D914 A915 G920 Q921 I922	F868-I918 HydrophobicContact CE1-CD1 4.44Å; F868-I918 HydrophobicContact CZ-CD1 3.78Å; V872-I918 HydrophobicContact CG1-CG2 3.89Å; V872-I918 HydrophobicContact CG2-CG2 3.95Å; F905-I918 HydrophobicContact CZ-CG2 3.96Å; L912-I918 HydrophobicContact CD1-CD1 4.24Å; D914-I918 HydrophobicContact CB-CD1 4.21Å; D914-I918 WeakPolarHBondContact O-CG1 3.39Å; D914-I918 PolarHBondContact O-N 3.17Å; D914-I918 VanDerWaalsContact O-N 3.15Å; A915-I918 PolarHBondContact O-N 2.9Å; I918-G920 PolarHBondContact O-N 2.87Å; I918-Q921 WeakPolarHBondContact O-CB 3.4Å; I918-Q921 PolarHBondContact O-N 3.27Å; I918-I922 HydrophobicContact CG2-CD1 4.1Å; I918-I922 PolarHBondContact O-N 3.16Å; I918-I922 VanDerWaalsContact O-N 3.17Å
919	L	89.7	Confident	86.8	Confident	54 Å²	54	74.7 Å²	74.7	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-47.1	178	-71.6	172.8	0	0	0	111.8	W906 V909 A915 Q921 I922 E923	W906-L919 HydrophobicContact CE3-CD2 4.44Å; W906-L919 HydrophobicContact CH2-CD2 4.49Å; W906-L919 HydrophobicContact CZ3-CD2 3.64Å; V909-L919 HydrophobicContact CG1-CD1 4.25Å; V909-L919 HydrophobicContact CG2-CD1 4.5Å; V909-L919 HydrophobicContact CG2-CD2 4.24Å; V909-L919 HydrophobicContact CG2-CG 4.26Å; A915-L919 WeakPolarHBondContact O-CG 3.43Å; A915-L919 PolarHBondContact O-N 2.81Å; L919-Q921 PolarHBondContact O-N 3.03Å; L919-I922 PolarHBondContact O-N 2.9Å; L919-E923 WeakPolarHBondContact O-CG 3.37Å; L919-E923 PolarHBondContact O-N 3.37Å
920	G	88.2	Confident	86.6	Confident	24 Å²	24	80.6 Å²	80.6	25%	0.247	38%	0.379	C	S	.	.	H	α-helix	trans	-65.8	-20.9	178.1	0	0	0	0	0	114.1	E916 I918 R924	E916-G920 PolarHBondContact O-N 2.83Å; I918-G920 PolarHBondContact O-N 2.87Å; G920-R924 WeakPolarHBondContact O-CG 3.48Å; G920-R924 PolarHBondContact O-NE 2.94Å
921	Q	88.4	Confident	86.4	Confident	45 Å²	45	80.8 Å²	80.8	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-74.7	-46.7	171.9	-177.1	172.8	-12.2	0	0	111.2	E876 R917 I918 L919 R924 G925	E876-Q921 HydrophobicContact CG-CG 4.25Å; E876-Q921 WeakPolarHBondContact OE2-CG 3.48Å; E876-Q921 PolarHBondContact OE2-NE2 3.25Å; R917-Q921 WeakPolarHBondContact O-CB 3.48Å; R917-Q921 PolarHBondContact O-N 2.75Å; R917-Q921 VanDerWaalsContact O-N 3.13Å; I918-Q921 WeakPolarHBondContact O-CB 3.4Å; I918-Q921 PolarHBondContact O-N 3.27Å; L919-Q921 PolarHBondContact O-N 3.03Å; Q921-R924 PolarHBondContact O-N 2.97Å; Q921-G925 PolarHBondContact O-N 3.39Å; Q921-G925 VanDerWaalsContact O-N 3.14Å
922	I	90	Very high	86.2	Confident	4 Å²	4	83.2 Å²	83.2	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-64	-45.7	-179.8	-64.8	166.8	0	0	0	111.1	N875 W906 I918 L919 R924 G925 E926	N875-I922 HydrophobicContact CB-CD1 3.89Å; N875-I922 HydrophobicContact CB-CG1 3.99Å; N875-I922 HydrophobicContact CB-CG2 4.24Å; W906-I922 HydrophobicContact CH2-CD1 3.9Å; W906-I922 HydrophobicContact CH2-CG2 4.27Å; W906-I922 HydrophobicContact CZ2-CD1 4.44Å; I918-I922 HydrophobicContact CG2-CD1 4.1Å; I918-I922 PolarHBondContact O-N 3.16Å; I918-I922 VanDerWaalsContact O-N 3.17Å; L919-I922 PolarHBondContact O-N 2.9Å; I922-R924 VanDerWaalsContact C-N 3.31Å; I922-R924 PolarHBondContact O-N 2.8Å; I922-G925 WeakPolarHBondContact O-CA 3.3Å; I922-G925 PolarHBondContact O-N 2.81Å; I922-E926 PolarHBondContact O-N 2.87Å
923	E	90.1	Very high	86	Confident	105 Å²	105	87.6 Å²	87.6	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-61.6	-37.3	179	-70.4	177.6	166.9	0	0	112.9	L919 G925 E926 M927	L919-E923 WeakPolarHBondContact O-CG 3.37Å; L919-E923 PolarHBondContact O-N 3.37Å; E923-G925 VanDerWaalsContact C-N 3.32Å; E923-E926 PolarHBondContact O-N 2.85Å; E923-M927 WeakPolarHBondContact O-CG 3.44Å; E923-M927 PolarHBondContact O-N 3.1Å; E923-M927 VanDerWaalsContact O-N 3.07Å
924	R	86.5	Confident	86.2	Confident	135 Å²	135	83.6 Å²	83.6	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-66.1	-35.6	173.8	-78.3	-177.1	-69.9	152.1	-1.3	112.1	G920 Q921 I922 M927 R928	G920-R924 WeakPolarHBondContact O-CG 3.48Å; G920-R924 PolarHBondContact O-NE 2.94Å; Q921-R924 PolarHBondContact O-N 2.97Å; I922-R924 VanDerWaalsContact C-N 3.31Å; I922-R924 PolarHBondContact O-N 2.8Å; R924-M927 HydrophobicContact CG-CE 4.14Å; R924-R928 WeakPolarHBondContact O-CG 3.49Å; R924-R928 PolarHBondContact O-N 3.48Å
925	G	86	Confident	86.3	Confident	3 Å²	3	79.4 Å²	79.4	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-51.8	171.6	0	0	0	0	0	111.9	E876 Q921 I922 E923 M927 R928 I929	E876-G925 VanDerWaalsContact O-CA 3.28Å; E876-G925 WeakPolarHBondContact O-CA 3.47Å; Q921-G925 PolarHBondContact O-N 3.39Å; Q921-G925 VanDerWaalsContact O-N 3.14Å; I922-G925 WeakPolarHBondContact O-CA 3.3Å; I922-G925 PolarHBondContact O-N 2.81Å; E923-G925 VanDerWaalsContact C-N 3.32Å; G925-M927 PolarHBondContact O-N 2.72Å; G925-R928 WeakPolarHBondContact O-CB 3.26Å; G925-R928 PolarHBondContact O-N 3.42Å; G925-I929 WeakPolarHBondContact O-CG1 3.29Å; G925-I929 PolarHBondContact O-N 3.19Å; G925-I929 VanDerWaalsContact O-N 3.12Å
926	E	87.8	Confident	86.3	Confident	39 Å²	39	84.3 Å²	84.3	18%	0.182	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-42.8	179.9	-69.5	-175.4	161.2	0	0	112.9	R880 I922 E923 R928 I929 Q930	R880-E926 WeakPolarHBondContact CB-OE1 3.37Å; R880-E926 WeakPolarHBondContact CG-OE1 3.48Å; R880-E926 IonicContact CZ-OE1 3.07Å; R880-E926 IonicContact CZ-OE2 2.64Å; R880-E926 PolarHBondContact N-OE1 3.48Å; R880-E926 IonicContact NE-OE1 3.32Å; R880-E926 PolarHBondContact NE-OE1 3Å; R880-E926 IonicContact NE-OE2 2.68Å; R880-E926 PolarHBondContact NE-OE2 2.65Å; R880-E926 IonicContact NH2-OE1 3.53Å; R880-E926 IonicContact NH2-OE2 3.3Å; R880-E926 PolarHBondContact NH2-OE2 3.15Å; I922-E926 PolarHBondContact O-N 2.87Å; E923-E926 PolarHBondContact O-N 2.85Å; E926-R928 VanDerWaalsContact C-N 3.29Å; E926-R928 PolarHBondContact O-N 3.11Å; E926-I929 PolarHBondContact O-N 2.67Å; E926-Q930 PolarHBondContact O-N 2.95Å
927	M	85.2	Confident	86.3	Confident	118 Å²	118	84.3 Å²	84.3	58%	0.581	38%	0.375	S	S	*	.	H	α-helix	trans	-60.4	-36.4	175.4	-76	-170.6	-76	0	0	112.9	E923 R924 G925 K931	E923-M927 WeakPolarHBondContact O-CG 3.44Å; E923-M927 PolarHBondContact O-N 3.1Å; E923-M927 VanDerWaalsContact O-N 3.07Å; R924-M927 HydrophobicContact CG-CE 4.14Å; G925-M927 PolarHBondContact O-N 2.72Å; M927-K931 WeakPolarHBondContact O-CB 3.35Å; M927-K931 PolarHBondContact O-N 3.48Å; M927-K931 VanDerWaalsContact O-N 3.09Å
928	R	83.4	Confident	86.3	Confident	143 Å²	143	76.5 Å²	76.5	54%	0.54	35%	0.348	S	S	.	.	H	α-helix	trans	-68.4	-41.1	176.7	-70.5	171.1	-178	168.8	0.8	111.5	R924 G925 E926 K931 R932	R924-R928 WeakPolarHBondContact O-CG 3.49Å; R924-R928 PolarHBondContact O-N 3.48Å; G925-R928 WeakPolarHBondContact O-CB 3.26Å; G925-R928 PolarHBondContact O-N 3.42Å; E926-R928 VanDerWaalsContact C-N 3.29Å; E926-R928 PolarHBondContact O-N 3.11Å; R928-K931 PolarHBondContact O-N 3.25Å; R928-R932 WeakPolarHBondContact O-CG 3.45Å; R928-R932 PolarHBondContact O-N 2.93Å
929	I	83.5	Confident	86.3	Confident	41 Å²	41	76.1 Å²	76.1	21%	0.21	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-47.9	177.6	-61.6	166.1	0	0	0	109.9	K877 G925 E926 K931 R932 Q933	K877-I929 VanDerWaalsContact O-CD1 3.26Å; K877-I929 WeakPolarHBondContact O-CD1 3.44Å; G925-I929 WeakPolarHBondContact O-CG1 3.29Å; G925-I929 PolarHBondContact O-N 3.19Å; G925-I929 VanDerWaalsContact O-N 3.12Å; E926-I929 PolarHBondContact O-N 2.67Å; I929-K931 VanDerWaalsContact C-N 3.34Å; I929-K931 PolarHBondContact O-N 3.13Å; I929-R932 PolarHBondContact O-N 3.42Å; I929-Q933 WeakPolarHBondContact O-CG 3.49Å; I929-Q933 PolarHBondContact O-N 2.96Å
930	Q	84.4	Confident	86.1	Confident	141 Å²	141	76.9 Å²	76.9	66%	0.659	35%	0.35	S	S	*	.	H	α-helix	trans	-60.9	-42.9	179.7	-166.4	176.1	23.3	0	0	111.9	E926 Q933 S934	E926-Q930 PolarHBondContact O-N 2.95Å; Q930-Q933 PolarHBondContact O-N 2.7Å; Q930-S934 PolarHBondContact O-N 3.07Å
931	K	83	Confident	86.1	Confident	142 Å²	142	77.2 Å²	77.2	62%	0.617	35%	0.351	S	S	*	.	H	α-helix	trans	-61.7	-44.7	175.7	-174.2	172.3	-177.9	174.4	0	112.3	M927 R928 I929 Q933 S934 V935	M927-K931 WeakPolarHBondContact O-CB 3.35Å; M927-K931 PolarHBondContact O-N 3.48Å; M927-K931 VanDerWaalsContact O-N 3.09Å; R928-K931 PolarHBondContact O-N 3.25Å; I929-K931 VanDerWaalsContact C-N 3.34Å; I929-K931 PolarHBondContact O-N 3.13Å; K931-Q933 VanDerWaalsContact C-N 3.31Å; K931-Q933 PolarHBondContact O-N 3.28Å; K931-S934 PolarHBondContact O-N 3.35Å; K931-V935 WeakPolarHBondContact O-CG2 3.27Å; K931-V935 PolarHBondContact O-N 2.94Å; K931-V935 VanDerWaalsContact O-N 3.1Å
932	R	82.1	Confident	86	Confident	130 Å²	130	75.1 Å²	75.1	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-41.3	177.2	-74.8	174.1	176.8	-176.3	-2.3	111.9	R928 I929 K936 F982	R928-R932 WeakPolarHBondContact O-CG 3.45Å; R928-R932 PolarHBondContact O-N 2.93Å; I929-R932 PolarHBondContact O-N 3.42Å; R932-K936 WeakPolarHBondContact O-CB 3.49Å; R932-K936 PolarHBondContact O-N 2.81Å; R932-K936 VanDerWaalsContact O-N 3.08Å; R932-F982 HydrophobicContact CG-CD1 4.39Å; R932-F982 HydrophobicContact CG-CE1 4.16Å
933	Q	84	Confident	85.9	Confident	102 Å²	102	75.6 Å²	75.6	48%	0.477	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.4	-69.8	-180	3.6	0	0	112.7	I929 Q930 K931 K936 R937	I929-Q933 WeakPolarHBondContact O-CG 3.49Å; I929-Q933 PolarHBondContact O-N 2.96Å; Q930-Q933 PolarHBondContact O-N 2.7Å; K931-Q933 VanDerWaalsContact C-N 3.31Å; K931-Q933 PolarHBondContact O-N 3.28Å; Q933-K936 PolarHBondContact O-N 3.12Å; Q933-R937 WeakPolarHBondContact O-CG 3.4Å; Q933-R937 PolarHBondContact O-N 3.38Å; Q933-R937 VanDerWaalsContact O-N 3.08Å
934	S	86	Confident	85.8	Confident	57 Å²	57	75.2 Å²	75.2	40%	0.399	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-52.3	174.6	-176.2	0	0	0	0	111.6	Q930 K931 K936 R937 A938 E1027	Q930-S934 PolarHBondContact O-N 3.07Å; K931-S934 PolarHBondContact O-N 3.35Å; S934-K936 VanDerWaalsContact C-N 3.35Å; S934-K936 PolarHBondContact O-N 2.63Å; S934-R937 PolarHBondContact O-N 3.21Å; S934-A938 PolarHBondContact O-N 3.4Å; S934-E1027 PolarHBondContact OG-OE1 2.67Å; S934-E1027 VanDerWaalsContact OG-OE1 3.09Å
935	V	85.5	Confident	85.8	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-60.6	-44	-179	173.3	0	0	0	0	111.5	K931 R937 A938 L939 F982 I1023	K931-V935 WeakPolarHBondContact O-CG2 3.27Å; K931-V935 PolarHBondContact O-N 2.94Å; K931-V935 VanDerWaalsContact O-N 3.1Å; V935-R937 PolarHBondContact O-N 3.44Å; V935-A938 PolarHBondContact O-N 3.22Å; V935-L939 HydrophobicContact CG1-CD1 4.01Å; V935-L939 HydrophobicContact CG1-CG 4.44Å; V935-L939 WeakPolarHBondContact O-CG 3.43Å; V935-L939 PolarHBondContact O-N 3.22Å; V935-F982 HydrophobicContact CB-CE1 4.47Å; V935-F982 HydrophobicContact CG1-CD1 4.18Å; V935-F982 HydrophobicContact CG1-CD2 4.24Å; V935-F982 HydrophobicContact CG1-CE1 4.32Å; V935-F982 HydrophobicContact CG1-CE2 4.36Å; V935-F982 HydrophobicContact CG1-CG 4.15Å; V935-F982 HydrophobicContact CG1-CZ 4.41Å; V935-I1023 HydrophobicContact CB-CG2 4.31Å; V935-I1023 HydrophobicContact CG1-CD1 3.85Å; V935-I1023 HydrophobicContact CG1-CG1 4.14Å; V935-I1023 HydrophobicContact CG1-CG2 3.81Å; V935-I1023 HydrophobicContact CG2-CG2 3.74Å
936	K	85.8	Confident	85.9	Confident	119 Å²	119	76.3 Å²	76.3	52%	0.517	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-47.7	177.5	-176.8	174.1	-179.9	172.9	0	111.5	R932 Q933 S934 A938 L939 D940	R932-K936 WeakPolarHBondContact O-CB 3.49Å; R932-K936 PolarHBondContact O-N 2.81Å; R932-K936 VanDerWaalsContact O-N 3.08Å; Q933-K936 PolarHBondContact O-N 3.12Å; S934-K936 VanDerWaalsContact C-N 3.35Å; S934-K936 PolarHBondContact O-N 2.63Å; K936-A938 VanDerWaalsContact C-N 3.35Å; K936-A938 PolarHBondContact O-N 2.82Å; K936-L939 PolarHBondContact O-N 3.32Å; K936-D940 WeakPolarHBondContact O-CB 3.45Å; K936-D940 PolarHBondContact O-N 3.42Å
937	R	87.1	Confident	85.8	Confident	177 Å²	177	84.5 Å²	84.5	67%	0.668	39%	0.394	S	S	*	.	H	α-helix	trans	-60.2	-43.4	177.2	-72.4	176.3	-174	174.3	4.1	112	Q933 S934 V935 A941	Q933-R937 WeakPolarHBondContact O-CG 3.4Å; Q933-R937 PolarHBondContact O-N 3.38Å; Q933-R937 VanDerWaalsContact O-N 3.08Å; S934-R937 PolarHBondContact O-N 3.21Å; V935-R937 PolarHBondContact O-N 3.44Å; R937-A941 VanDerWaalsContact O-CB 3.27Å; R937-A941 WeakPolarHBondContact O-CB 3.44Å; R937-A941 PolarHBondContact O-N 3.21Å
938	A	86.9	Confident	85.8	Confident	11 Å²	11	80.6 Å²	80.6	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-63.7	-43.1	178.8	0	0	0	0	0	112.1	S934 V935 K936 K942 I1026 E1027	S934-A938 PolarHBondContact O-N 3.4Å; V935-A938 PolarHBondContact O-N 3.22Å; K936-A938 VanDerWaalsContact C-N 3.35Å; K936-A938 PolarHBondContact O-N 2.82Å; A938-K942 WeakPolarHBondContact O-CB 3.49Å; A938-K942 PolarHBondContact O-N 3.04Å; A938-I1026 HydrophobicContact CB-CG2 4.42Å; A938-E1027 HydrophobicContact CB-CG 3.82Å
939	L	88	Confident	85.9	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-47	176.4	-70.6	174.7	0	0	0	112	V935 K936 A941 K942 M943 V974 I1026	V935-L939 HydrophobicContact CG1-CD1 4.01Å; V935-L939 HydrophobicContact CG1-CG 4.44Å; V935-L939 WeakPolarHBondContact O-CG 3.43Å; V935-L939 PolarHBondContact O-N 3.22Å; K936-L939 PolarHBondContact O-N 3.32Å; L939-A941 PolarHBondContact O-N 3.04Å; L939-K942 PolarHBondContact O-N 3.18Å; L939-K942 VanDerWaalsContact O-N 3.16Å; L939-M943 VanDerWaalsContact O-CG 3.29Å; L939-M943 WeakPolarHBondContact O-CG 3.48Å; L939-M943 PolarHBondContact O-N 3.26Å; L939-V974 HydrophobicContact CD2-CG1 3.93Å; L939-I1026 HydrophobicContact CD2-CD1 4.05Å
940	D	87	Confident	86.1	Confident	69 Å²	69	76.9 Å²	76.9	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-45.5	178.3	-75.6	-28.9	0	0	0	111.6	K936 K942 M943 S944 H978	K936-D940 WeakPolarHBondContact O-CB 3.45Å; K936-D940 PolarHBondContact O-N 3.42Å; D940-K942 VanDerWaalsContact C-N 3.3Å; D940-K942 PolarHBondContact O-N 3.16Å; D940-M943 PolarHBondContact O-N 2.76Å; D940-S944 WeakPolarHBondContact O-CB 3.43Å; D940-S944 PolarHBondContact O-N 2.87Å; D940-H978 IonicContact OD1-CD2 2.72Å; D940-H978 PolarHBondContact OD1-CD2 3.16Å; D940-H978 IonicContact OD1-CE1 3.38Å; D940-H978 IonicContact OD1-NE2 2.68Å; D940-H978 PolarHBondContact OD1-NE2 3.37Å
941	A	87.6	Confident	86.2	Confident	32 Å²	32	77.6 Å²	77.6	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-68	-27.6	178.1	0	0	0	0	0	113.2	R937 L939 S944 M1030	R937-A941 VanDerWaalsContact O-CB 3.27Å; R937-A941 WeakPolarHBondContact O-CB 3.44Å; R937-A941 PolarHBondContact O-N 3.21Å; L939-A941 PolarHBondContact O-N 3.04Å; A941-S944 PolarHBondContact O-OG 2.85Å; A941-M1030 HydrophobicContact CB-CE 3.54Å; A941-M1030 HydrophobicContact CB-SD 4.32Å
942	K	87.4	Confident	86.3	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-76.7	-40.7	173.9	-172.6	61.8	162.4	166.9	0	111.4	A938 L939 D940 K945 Y946 L953 R954 I1026 E1029	A938-K942 WeakPolarHBondContact O-CB 3.49Å; A938-K942 PolarHBondContact O-N 3.04Å; L939-K942 PolarHBondContact O-N 3.18Å; L939-K942 VanDerWaalsContact O-N 3.16Å; D940-K942 VanDerWaalsContact C-N 3.3Å; D940-K942 PolarHBondContact O-N 3.16Å; K942-K945 PolarHBondContact O-N 3.41Å; K942-Y946 HydrophobicContact CD-CE2 4.4Å; K942-Y946 VanDerWaalsContact O-CD2 3.31Å; K942-Y946 WeakPolarHBondContact O-CD2 3.4Å; K942-Y946 WeakPolarHBondContact O-CE2 3.1Å; K942-L953 HydrophobicContact CG-CD1 4.4Å; K942-R954 PolarHBondContact NZ-O 2.86Å; K942-I1026 HydrophobicContact CB-CG2 3.84Å; K942-I1026 HydrophobicContact CD-CG2 4.42Å; K942-I1026 HydrophobicContact CG-CD1 4.49Å; K942-I1026 HydrophobicContact CG-CG1 4.45Å; K942-I1026 HydrophobicContact CG-CG2 3.96Å; K942-E1029 WeakPolarHBondContact CE-OE2 3.18Å; K942-E1029 IonicContact NZ-OE1 3.48Å; K942-E1029 PolarHBondContact NZ-OE1 3.17Å; K942-E1029 IonicContact NZ-OE2 2.69Å; K942-E1029 PolarHBondContact NZ-OE2 3.2Å
943	M	86.8	Confident	86.7	Confident	14 Å²	14	68.9 Å²	68.9	7%	0.069	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-39.8	178.6	-69	-56.7	175.4	0	0	112.3	L939 D940 K945 Y946 P949 L953 V974 C975 H978	L939-M943 VanDerWaalsContact O-CG 3.29Å; L939-M943 WeakPolarHBondContact O-CG 3.48Å; L939-M943 PolarHBondContact O-N 3.26Å; D940-M943 PolarHBondContact O-N 2.76Å; M943-K945 PolarHBondContact O-N 2.66Å; M943-K945 VanDerWaalsContact O-N 3.1Å; M943-Y946 PolarHBondContact O-N 3.18Å; M943-Y946 VanDerWaalsContact O-N 3.1Å; M943-P949 HydrophobicContact SD-CB 3.66Å; M943-P949 HydrophobicContact SD-CG 4.06Å; M943-L953 HydrophobicContact CE-CD1 3.84Å; M943-L953 HydrophobicContact SD-CD1 3.61Å; M943-V974 HydrophobicContact CE-CG1 3.68Å; M943-V974 WeakPolarHBondContact CE-O 3.48Å; M943-C975 HydrophobicContact CE-CB 4.3Å; M943-H978 HydrophobicContact CE-CB 3.66Å; M943-H978 HydrophobicContact CG-CB 4.32Å
944	S	87.6	Confident	86.8	Confident	98 Å²	98	72.1 Å²	72.1	69%	0.685	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.7	-179.5	71.5	0	0	0	0	114.2	D940 A941 Y946	D940-S944 WeakPolarHBondContact O-CB 3.43Å; D940-S944 PolarHBondContact O-N 2.87Å; A941-S944 PolarHBondContact O-OG 2.85Å; S944-Y946 VanDerWaalsContact C-N 3.27Å; S944-Y946 PolarHBondContact O-N 2.68Å
945	K	87.1	Confident	86.7	Confident	103 Å²	103	69.9 Å²	69.9	45%	0.448	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.7	176.5	-69.6	174.8	179.8	175.7	0	113.5	K942 M943 M1030	K942-K945 PolarHBondContact O-N 3.41Å; M943-K945 PolarHBondContact O-N 2.66Å; M943-K945 VanDerWaalsContact O-N 3.1Å; K945-M1030 PolarHBondContact NZ-SD 2.99Å
946	Y	88.7	Confident	86.5	Confident	57 Å²	57	75.4 Å²	75.4	22%	0.224	36%	0.358	C	S	.	.			trans	-124.6	137.2	-173.9	-57	-80.7	0	0	0	111.6	K942 M943 S944 Q952 L953 R954	K942-Y946 HydrophobicContact CD-CE2 4.4Å; K942-Y946 VanDerWaalsContact O-CD2 3.31Å; K942-Y946 WeakPolarHBondContact O-CD2 3.4Å; K942-Y946 WeakPolarHBondContact O-CE2 3.1Å; M943-Y946 PolarHBondContact O-N 3.18Å; M943-Y946 VanDerWaalsContact O-N 3.1Å; S944-Y946 VanDerWaalsContact C-N 3.27Å; S944-Y946 PolarHBondContact O-N 2.68Å; Y946-Q952 HydrophobicContact CD1-CB 3.74Å; Y946-Q952 VanDerWaalsContact CE1-O 3.3Å; Y946-Q952 WeakPolarHBondContact CE1-O 3.45Å; Y946-Q952 HydrophobicContact CG-CB 4.34Å; Y946-L953 HydrophobicContact CD2-CB 4.1Å; Y946-L953 HydrophobicContact CD2-CG 4.29Å; Y946-L953 HydrophobicContact CE2-CB 4.16Å; Y946-L953 HydrophobicContact CE2-CG 4.04Å; Y946-L953 HydrophobicContact CG-CB 4.47Å; Y946-R954 PolarHBondContact OH-N 3.4Å
947	K	84.7	Confident	86.4	Confident	211 Å²	211	70.8 Å²	70.8	92%	0.917	34%	0.338	S	S	*	.	S	Bend	trans	-74.7	-33.4	175.5	-70.8	-173.5	178.9	-177.4	0	112.2
948	A	85.6	Confident	85.7	Confident	37 Å²	37	66 Å²	66	31%	0.306	34%	0.343	S	S	.	.	S	Bend	trans	-132.1	81.1	177.8	0	0	0	0	0	110.1	F950 H951 Q952	A948-F950 VanDerWaalsContact C-N 3.31Å; A948-F950 PolarHBondContact O-N 3.06Å; A948-H951 PolarHBondContact O-N 2.97Å; A948-Q952 HydrophobicContact CB-CG 4.39Å; A948-Q952 VanDerWaalsContact N-OE1 3.14Å; A948-Q952 WeakPolarHBondContact O-CB 3.4Å; A948-Q952 PolarHBondContact O-N 3.36Å
949	P	86.3	Confident	85	Confident	32 Å²	32	72.4 Å²	72.4	21%	0.208	38%	0.381	C	S	.	.	H	α-helix	trans	-53.6	-41.8	-172.6	-28.1	35.1	0	0	0	114.1	M943 H951 Q952 L953	M943-P949 HydrophobicContact SD-CB 3.66Å; M943-P949 HydrophobicContact SD-CG 4.06Å; P949-H951 PolarHBondContact O-N 3Å; P949-H951 VanDerWaalsContact O-N 3.09Å; P949-Q952 PolarHBondContact O-N 2.82Å; P949-L953 WeakPolarHBondContact O-CB 3.36Å; P949-L953 PolarHBondContact O-N 2.85Å
950	F	86.2	Confident	83.9	Confident	74 Å²	74	76.6 Å²	76.6	33%	0.325	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-25.2	177.5	-79.9	-79.2	0	0	0	114.7	A948 R971 F972 C975 M976	A948-F950 VanDerWaalsContact C-N 3.31Å; A948-F950 PolarHBondContact O-N 3.06Å; F950-R971 WeakPolarHBondContact O-CD 3.35Å; F950-F972 HydrophobicContact CD1-CD2 4.2Å; F950-F972 AromaticContact CE1-CD2 3.81Å; F950-F972 HydrophobicContact CE1-CD2 3.81Å; F950-F972 HydrophobicContact CE1-CE2 4.22Å; F950-C975 HydrophobicContact CD1-CB 3.84Å; F950-C975 HydrophobicContact CD2-CB 4.12Å; F950-C975 HydrophobicContact CE1-CB 3.37Å; F950-C975 HydrophobicContact CE2-CB 3.68Å; F950-C975 HydrophobicContact CG-CB 4.17Å; F950-C975 HydrophobicContact CZ-CB 3.24Å; F950-M976 HydrophobicContact CE1-CE 3.8Å; F950-M976 HydrophobicContact CE1-CG 4.29Å; F950-M976 HydrophobicContact CE2-CE 4.18Å; F950-M976 HydrophobicContact CZ-CE 3.24Å; F950-M976 HydrophobicContact CZ-CG 4.37Å
951	H	86.2	Confident	82.9	Confident	156 Å²	156	80.7 Å²	80.7	72%	0.722	42%	0.418	S	S	*	.	H	α-helix	trans	-111.7	-17.1	-178	-63.1	88.2	0	0	0	113.4	A948 P949 R971	A948-H951 PolarHBondContact O-N 2.97Å; P949-H951 PolarHBondContact O-N 3Å; P949-H951 VanDerWaalsContact O-N 3.09Å; H951-R971 PolarHBondContact O-NH1 3.3Å
952	Q	87.1	Confident	81.8	Confident	89 Å²	89	80.8 Å²	80.8	42%	0.416	42%	0.422	S	S	.	.	H	α-helix	trans	-119.9	-24	-169.6	-62.9	175.5	-14.5	0	0	114.3	Y946 A948 P949 R954	Y946-Q952 HydrophobicContact CD1-CB 3.74Å; Y946-Q952 VanDerWaalsContact CE1-O 3.3Å; Y946-Q952 WeakPolarHBondContact CE1-O 3.45Å; Y946-Q952 HydrophobicContact CG-CB 4.34Å; A948-Q952 HydrophobicContact CB-CG 4.39Å; A948-Q952 VanDerWaalsContact N-OE1 3.14Å; A948-Q952 WeakPolarHBondContact O-CB 3.4Å; A948-Q952 PolarHBondContact O-N 3.36Å; P949-Q952 PolarHBondContact O-N 2.82Å; Q952-R954 PolarHBondContact O-N 3.49Å
953	L	88.8	Confident	80.8	Confident	0 Å²	0	90.9 Å²	90.9	0%	0	47%	0.466	C	S	.	.			trans	-63.5	125.6	-173.5	-179.7	153.8	0	0	0	110.7	K942 M943 Y946 P949 V955 R971 V974	K942-L953 HydrophobicContact CG-CD1 4.4Å; M943-L953 HydrophobicContact CE-CD1 3.84Å; M943-L953 HydrophobicContact SD-CD1 3.61Å; Y946-L953 HydrophobicContact CD2-CB 4.1Å; Y946-L953 HydrophobicContact CD2-CG 4.29Å; Y946-L953 HydrophobicContact CE2-CB 4.16Å; Y946-L953 HydrophobicContact CE2-CG 4.04Å; Y946-L953 HydrophobicContact CG-CB 4.47Å; P949-L953 WeakPolarHBondContact O-CB 3.36Å; P949-L953 PolarHBondContact O-N 2.85Å; L953-V955 HydrophobicContact CD2-CG2 3.8Å; L953-R971 HydrophobicContact CB-CG 4.1Å; L953-R971 HydrophobicContact CD2-CG 4.21Å; L953-R971 PolarHBondContact O-NE 3.25Å; L953-R971 PolarHBondContact O-NH1 3.41Å; L953-R971 PolarHBondContact O-NH2 3.27Å; L953-V974 HydrophobicContact CD1-CG1 4.23Å
954	R	85.7	Confident	80.4	Confident	169 Å²	169	95.7 Å²	95.7	64%	0.638	49%	0.492	S	S	*	.			trans	-117.2	135.4	175.2	-63.2	-162.6	178.1	-156.7	-2.7	110.4	K942 Y946 Q952	K942-R954 PolarHBondContact NZ-O 2.86Å; Y946-R954 PolarHBondContact OH-N 3.4Å; Q952-R954 PolarHBondContact O-N 3.49Å
955	V	83.9	Confident	80.3	Confident	10 Å²	10	92.8 Å²	92.8	6%	0.061	47%	0.466	C	S	.	.			trans	-101	129.8	177	-177.6	0	0	0	0	109.1	L953 Y957 L1022 L1025	L953-V955 HydrophobicContact CD2-CG2 3.8Å; V955-Y957 HydrophobicContact CB-CE1 4.1Å; V955-Y957 HydrophobicContact CB-CE2 4.26Å; V955-Y957 HydrophobicContact CG1-CD1 4.28Å; V955-Y957 HydrophobicContact CG1-CE1 4.02Å; V955-Y957 VanDerWaalsContact O-CD2 3.28Å; V955-Y957 WeakPolarHBondContact O-CD2 3.38Å; V955-Y957 VanDerWaalsContact O-CE2 3.29Å; V955-Y957 WeakPolarHBondContact O-CE2 3.26Å; V955-Y957 PolarHBondContact O-N 3.42Å; V955-L1022 HydrophobicContact CG1-CD2 4.27Å; V955-L1025 HydrophobicContact CG1-CB 4.43Å; V955-L1025 HydrophobicContact CG1-CD1 4.34Å
956	Q	83.2	Confident	80.4	Confident	120 Å²	120	92.9 Å²	92.9	56%	0.561	47%	0.471	S	S	*	.			trans	-83.2	98.5	174.2	-66.1	-175.1	45.8	0	0	109.7	G958 E1029	Q956-G958 VanDerWaalsContact C-N 3.31Å; Q956-G958 PolarHBondContact O-N 3.44Å; Q956-E1029 HydrophobicContact CG-CG 4.44Å; Q956-E1029 VanDerWaalsContact NE2-CD 3.31Å; Q956-E1029 PolarHBondContact NE2-OE1 3.35Å
957	Y	82.1	Confident	80.3	Confident	22 Å²	22	93 Å²	93	9%	0.086	47%	0.473	C	S	.	.			trans	-72.3	-21.3	-176.2	-59.4	-78.4	0	0	0	114.2	V955 T959 N960 K961 E967 D970 L1022 L1025	V955-Y957 HydrophobicContact CB-CE1 4.1Å; V955-Y957 HydrophobicContact CB-CE2 4.26Å; V955-Y957 HydrophobicContact CG1-CD1 4.28Å; V955-Y957 HydrophobicContact CG1-CE1 4.02Å; V955-Y957 VanDerWaalsContact O-CD2 3.28Å; V955-Y957 WeakPolarHBondContact O-CD2 3.38Å; V955-Y957 VanDerWaalsContact O-CE2 3.29Å; V955-Y957 WeakPolarHBondContact O-CE2 3.26Å; V955-Y957 PolarHBondContact O-N 3.42Å; Y957-T959 PolarHBondContact O-N 3.4Å; Y957-N960 WeakPolarHBondContact O-CA 3.19Å; Y957-N960 WeakPolarHBondContact O-CB 3.43Å; Y957-N960 PolarHBondContact O-N 2.82Å; Y957-K961 HydrophobicContact CD2-CG 4.38Å; Y957-K961 HydrophobicContact CG-CB 4.42Å; Y957-K961 HydrophobicContact CG-CG 4.28Å; Y957-E967 HydrophobicContact CE2-CG 4.39Å; Y957-D970 VanDerWaalsContact CE1-OD2 3.27Å; Y957-D970 WeakPolarHBondContact CE1-OD2 3.26Å; Y957-D970 PolarHBondContact OH-OD2 3.1Å; Y957-D970 VanDerWaalsContact OH-OD2 3.12Å; Y957-L1022 HydrophobicContact CE1-CD2 4.33Å; Y957-L1025 HydrophobicContact CD1-CD1 4.26Å
958	G	73.9	Confident	80.5	Confident	75 Å²	75	89.8 Å²	89.8	77%	0.773	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	-129.9	-170.9	0	0	0	0	0	111.3	Q956 N960	Q956-G958 VanDerWaalsContact C-N 3.31Å; Q956-G958 PolarHBondContact O-N 3.44Å; G958-N960 VanDerWaalsContact C-N 3.28Å; G958-N960 PolarHBondContact O-N 2.96Å
959	T	72.1	Confident	80.8	Confident	146 Å²	146	88.2 Å²	88.2	90%	0.896	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.3	173.8	49.7	0	0	0	0	114	Y957 K961	Y957-T959 PolarHBondContact O-N 3.4Å; T959-K961 PolarHBondContact O-N 2.67Å
960	N	64.6	Low	81.1	Confident	94 Å²	94	86.7 Å²	86.7	50%	0.503	44%	0.438	S	S	.	.			trans	-94.7	25.7	-173.3	-71.1	-27.4	0	0	0	114	Y957 G958 G962 L1025	Y957-N960 WeakPolarHBondContact O-CA 3.19Å; Y957-N960 WeakPolarHBondContact O-CB 3.43Å; Y957-N960 PolarHBondContact O-N 2.82Å; G958-N960 VanDerWaalsContact C-N 3.28Å; G958-N960 PolarHBondContact O-N 2.96Å; N960-G962 VanDerWaalsContact C-N 3.26Å; N960-G962 PolarHBondContact O-N 2.91Å; N960-L1025 HydrophobicContact CB-CD2 4.39Å
961	K	64.9	Low	81.3	Confident	156 Å²	156	84.7 Å²	84.7	68%	0.678	43%	0.428	S	S	*	.			trans	-72.3	83.7	176.2	-160.6	178.1	-176.1	-179.5	0	109.9	Y957 T959	Y957-K961 HydrophobicContact CD2-CG 4.38Å; Y957-K961 HydrophobicContact CG-CB 4.42Å; Y957-K961 HydrophobicContact CG-CG 4.28Å; T959-K961 PolarHBondContact O-N 2.67Å
962	G	64.7	Low	81.7	Confident	34 Å²	34	77.8 Å²	77.8	35%	0.351	40%	0.396	S	S	.	.			trans	-61.2	138.5	176.1	0	0	0	0	0	111.2	N960 N964	N960-G962 VanDerWaalsContact C-N 3.26Å; N960-G962 PolarHBondContact O-N 2.91Å; G962-N964 PolarHBondContact O-N 3.13Å
963	K	66.3	Low	81.9	Confident	211 Å²	211	73.6 Å²	73.6	92%	0.917	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-12.5	-177.1	-70.2	-176	177.5	-179	0	114.5
964	N	78.8	Confident	82.1	Confident	115 Å²	115	73.8 Å²	73.8	62%	0.615	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-23.8	-165.2	-61.2	-2	0	0	0	114.2	G962 F1006	G962-N964 PolarHBondContact O-N 3.13Å; N964-F1006 HydrophobicContact CB-CZ 3.91Å; N964-F1006 WeakPolarHBondContact O-CE1 3.25Å; N964-F1006 WeakPolarHBondContact O-CZ 3.39Å
965	Y	86.3	Confident	82.4	Confident	38 Å²	38	66 Å²	66	15%	0.149	35%	0.349	C	S	.	.			trans	-115.3	138	-179.6	-72.9	-92.6	0	0	0	110.9	E969 L973 F1006 R1010 R1018	Y965-E969 WeakPolarHBondContact CA-OE2 3.3Å; Y965-E969 HydrophobicContact CD1-CB 4.3Å; Y965-E969 WeakPolarHBondContact CD1-OE2 3.47Å; Y965-L973 HydrophobicContact CE1-CD1 4.36Å; Y965-F1006 AromaticContact CD1-CE1 4Å; Y965-F1006 HydrophobicContact CD1-CE1 4Å; Y965-F1006 HydrophobicContact CD2-CE1 4.43Å; Y965-F1006 AromaticContact CE1-CE1 3.95Å; Y965-F1006 HydrophobicContact CE1-CE1 3.95Å; Y965-F1006 HydrophobicContact CE2-CE1 4.38Å; Y965-F1006 HydrophobicContact CE2-CZ 4.32Å; Y965-F1006 HydrophobicContact CG-CE1 4.25Å; Y965-R1010 WeakPolarHBondContact OH-CD 3.49Å; Y965-R1018 HydrophobicContact CD1-CG 4.28Å; Y965-R1018 HydrophobicContact CD2-CG 4.12Å; Y965-R1018 HydrophobicContact CE1-CG 4.06Å; Y965-R1018 HydrophobicContact CE2-CB 4.29Å; Y965-R1018 HydrophobicContact CE2-CG 3.91Å; Y965-R1018 HydrophobicContact CG-CG 4.3Å
966	I	88.1	Confident	82.8	Confident	105 Å²	105	66.8 Å²	66.8	54%	0.538	35%	0.352	S	S	.	.			trans	-88.4	152.6	176	-53.1	173.6	0	0	0	108.9	E968 E969 D970	I966-E968 PolarHBondContact O-N 2.62Å; I966-E968 VanDerWaalsContact O-N 3.15Å; I966-E969 HydrophobicContact CB-CG 4.28Å; I966-E969 PolarHBondContact N-OE2 3.23Å; I966-E969 WeakPolarHBondContact O-CB 3.22Å; I966-E969 PolarHBondContact O-N 2.97Å; I966-D970 PolarHBondContact O-N 3.18Å; I966-D970 VanDerWaalsContact O-N 3.16Å
967	E	87.7	Confident	83.2	Confident	59 Å²	59	61.2 Å²	61.2	28%	0.276	33%	0.326	S	S	.	.	H	α-helix	trans	-58.3	-29.2	-178.4	-170	-179	156.2	0	0	113.4	Y957 R971	Y957-E967 HydrophobicContact CE2-CG 4.39Å; E967-R971 WeakPolarHBondContact O-CB 3.42Å; E967-R971 PolarHBondContact O-N 3.48Å; E967-R971 VanDerWaalsContact O-N 3.1Å; E967-R971 IonicContact OE1-NH2 3.73Å; E967-R971 PolarHBondContact OE1-NH2 2.67Å
968	E	88.2	Confident	83.5	Confident	144 Å²	144	63.5 Å²	63.5	67%	0.673	34%	0.338	S	S	*	.	H	α-helix	trans	-68.5	-39.3	175.8	-64.8	-175.2	170.5	0	0	112.3	I966 F972	I966-E968 PolarHBondContact O-N 2.62Å; I966-E968 VanDerWaalsContact O-N 3.15Å; E968-F972 PolarHBondContact O-N 3.38Å
969	E	91	Very high	84.2	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.019	33%	0.33	C	S	.	.	H	α-helix	trans	-67.3	-49.8	177.7	-58.7	176.7	133.6	0	0	110.8	Y965 I966 R971 F972 L973 F1001 I1007	Y965-E969 WeakPolarHBondContact CA-OE2 3.3Å; Y965-E969 HydrophobicContact CD1-CB 4.3Å; Y965-E969 WeakPolarHBondContact CD1-OE2 3.47Å; I966-E969 HydrophobicContact CB-CG 4.28Å; I966-E969 PolarHBondContact N-OE2 3.23Å; I966-E969 WeakPolarHBondContact O-CB 3.22Å; I966-E969 PolarHBondContact O-N 2.97Å; E969-R971 VanDerWaalsContact C-N 3.28Å; E969-R971 PolarHBondContact O-N 3.17Å; E969-F972 WeakPolarHBondContact O-CB 3.35Å; E969-F972 PolarHBondContact O-N 3.28Å; E969-L973 WeakPolarHBondContact O-CG 3.4Å; E969-L973 PolarHBondContact O-N 3Å; E969-F1001 HydrophobicContact CG-CE1 4.2Å; E969-I1007 HydrophobicContact CB-CD1 3.78Å; E969-I1007 HydrophobicContact CG-CD1 3.97Å
970	D	92.4	Very high	84.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-41	178.8	-75.5	-31.1	0	0	0	111.7	Y957 I966 L973 V974 R1018 L1022	Y957-D970 VanDerWaalsContact CE1-OD2 3.27Å; Y957-D970 WeakPolarHBondContact CE1-OD2 3.26Å; Y957-D970 PolarHBondContact OH-OD2 3.1Å; Y957-D970 VanDerWaalsContact OH-OD2 3.12Å; I966-D970 PolarHBondContact O-N 3.18Å; I966-D970 VanDerWaalsContact O-N 3.16Å; D970-L973 PolarHBondContact O-N 3.28Å; D970-V974 WeakPolarHBondContact O-CG2 3.44Å; D970-V974 PolarHBondContact O-N 3.11Å; D970-R1018 VanDerWaalsContact CG-NH2 3.28Å; D970-R1018 IonicContact OD1-CZ 3.79Å; D970-R1018 IonicContact OD1-NE 2.72Å; D970-R1018 PolarHBondContact OD1-NE 3.25Å; D970-R1018 IonicContact OD1-NH2 3.22Å; D970-R1018 PolarHBondContact OD1-NH2 3.37Å; D970-R1018 VanDerWaalsContact OD1-NH2 3.14Å; D970-R1018 IonicContact OD2-CZ 2.86Å; D970-R1018 IonicContact OD2-NE 3.37Å; D970-R1018 IonicContact OD2-NH2 3.89Å; D970-R1018 PolarHBondContact OD2-NH2 2.98Å; D970-L1022 HydrophobicContact CB-CD1 3.98Å; D970-L1022 HydrophobicContact CB-CD2 4Å
971	R	91.8	Very high	85.8	Confident	32 Å²	32	56.7 Å²	56.7	12%	0.121	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-45.5	176.2	-175.8	-172.7	-47.7	-138.8	-5.2	111.7	F950 H951 L953 E967 E969 V974 C975	F950-R971 WeakPolarHBondContact O-CD 3.35Å; H951-R971 PolarHBondContact O-NH1 3.3Å; L953-R971 HydrophobicContact CB-CG 4.1Å; L953-R971 HydrophobicContact CD2-CG 4.21Å; L953-R971 PolarHBondContact O-NE 3.25Å; L953-R971 PolarHBondContact O-NH1 3.41Å; L953-R971 PolarHBondContact O-NH2 3.27Å; E967-R971 WeakPolarHBondContact O-CB 3.42Å; E967-R971 PolarHBondContact O-N 3.48Å; E967-R971 VanDerWaalsContact O-N 3.1Å; E967-R971 IonicContact OE1-NH2 3.73Å; E967-R971 PolarHBondContact OE1-NH2 2.67Å; E969-R971 VanDerWaalsContact C-N 3.28Å; E969-R971 PolarHBondContact O-N 3.17Å; R971-V974 PolarHBondContact O-N 2.95Å; R971-C975 WeakPolarHBondContact O-CB 3.44Å; R971-C975 PolarHBondContact O-N 3.42Å; R971-C975 PolarHBondContact O-SG 3.34Å
972	F	93.3	Very high	86.5	Confident	11 Å²	11	51.7 Å²	51.7	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-45.5	176.4	-179.3	-93.8	0	0	0	111.5	F950 E968 E969 V974 C975 M976 V995 A998 F1001	F950-F972 HydrophobicContact CD1-CD2 4.2Å; F950-F972 AromaticContact CE1-CD2 3.81Å; F950-F972 HydrophobicContact CE1-CD2 3.81Å; F950-F972 HydrophobicContact CE1-CE2 4.22Å; E968-F972 PolarHBondContact O-N 3.38Å; E969-F972 WeakPolarHBondContact O-CB 3.35Å; E969-F972 PolarHBondContact O-N 3.28Å; F972-V974 PolarHBondContact O-N 3.48Å; F972-C975 PolarHBondContact O-N 2.9Å; F972-M976 HydrophobicContact CD1-CG 3.89Å; F972-M976 HydrophobicContact CD2-CG 4.13Å; F972-M976 HydrophobicContact CE1-CB 4.43Å; F972-M976 HydrophobicContact CE1-CG 3.5Å; F972-M976 HydrophobicContact CE1-SD 4.44Å; F972-M976 HydrophobicContact CE2-CG 3.77Å; F972-M976 HydrophobicContact CE2-SD 4.25Å; F972-M976 HydrophobicContact CG-CG 4.22Å; F972-M976 HydrophobicContact CZ-CG 3.45Å; F972-M976 VanDerWaalsContact CZ-CG 3.45Å; F972-M976 HydrophobicContact CZ-SD 3.9Å; F972-M976 VanDerWaalsContact O-CB 3.31Å; F972-M976 WeakPolarHBondContact O-CB 3.48Å; F972-M976 WeakPolarHBondContact O-CG 3.39Å; F972-M976 PolarHBondContact O-N 3.38Å; F972-V995 HydrophobicContact CD1-CG2 4.1Å; F972-V995 HydrophobicContact CE1-CB 4.44Å; F972-V995 HydrophobicContact CE1-CG2 3.7Å; F972-A998 HydrophobicContact CE2-CB 3.95Å; F972-A998 HydrophobicContact CZ-CB 3.69Å; F972-F1001 HydrophobicContact CB-CE2 3.97Å; F972-F1001 HydrophobicContact CB-CZ 3.7Å; F972-F1001 AromaticContact CD1-CE2 3.45Å; F972-F1001 HydrophobicContact CD1-CE2 3.45Å; F972-F1001 VanDerWaalsContact CD1-CE2 3.45Å; F972-F1001 HydrophobicContact CD1-CZ 4.06Å; F972-F1001 AromaticContact CD2-CE2 3.83Å; F972-F1001 HydrophobicContact CD2-CE2 3.83Å; F972-F1001 HydrophobicContact CD2-CZ 4.26Å; F972-F1001 HydrophobicContact CE1-CD2 4.45Å; F972-F1001 AromaticContact CE1-CE2 3.74Å; F972-F1001 HydrophobicContact CE1-CE2 3.74Å; F972-F1001 HydrophobicContact CE2-CE2 4.1Å; F972-F1001 AromaticContact CG-CE2 3.46Å; F972-F1001 HydrophobicContact CG-CE2 3.46Å; F972-F1001 VanDerWaalsContact CG-CE2 3.46Å; F972-F1001 AromaticContact CG-CZ 3.75Å; F972-F1001 HydrophobicContact CG-CZ 3.75Å; F972-F1001 HydrophobicContact CZ-CE2 4.06Å
973	L	93	Very high	86.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-44.6	179.2	-67.1	176.4	0	0	0	112	Y965 E969 D970 L977 L991 V995 L1015 R1018 L1022	Y965-L973 HydrophobicContact CE1-CD1 4.36Å; E969-L973 WeakPolarHBondContact O-CG 3.4Å; E969-L973 PolarHBondContact O-N 3Å; D970-L973 PolarHBondContact O-N 3.28Å; L973-L977 WeakPolarHBondContact O-CB 3.15Å; L973-L977 PolarHBondContact O-N 3.07Å; L973-L991 HydrophobicContact CD2-CD1 4.18Å; L973-L991 HydrophobicContact CD2-CD2 3.98Å; L973-L991 HydrophobicContact CD2-CG 4.08Å; L973-V995 HydrophobicContact CD2-CG2 3.98Å; L973-L1015 HydrophobicContact CD1-CD2 4.27Å; L973-L1015 HydrophobicContact CD2-CD2 3.89Å; L973-R1018 HydrophobicContact CD1-CG 4.03Å; L973-L1022 HydrophobicContact CB-CD1 4.46Å
974	V	92.4	Very high	87.4	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.03	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-42.1	178.8	176.7	0	0	0	0	111.4	L939 M943 L953 D970 R971 F972 H978 L1022 I1026	L939-V974 HydrophobicContact CD2-CG1 3.93Å; M943-V974 HydrophobicContact CE-CG1 3.68Å; M943-V974 WeakPolarHBondContact CE-O 3.48Å; L953-V974 HydrophobicContact CD1-CG1 4.23Å; D970-V974 WeakPolarHBondContact O-CG2 3.44Å; D970-V974 PolarHBondContact O-N 3.11Å; R971-V974 PolarHBondContact O-N 2.95Å; F972-V974 PolarHBondContact O-N 3.48Å; V974-H978 PolarHBondContact O-N 3Å; V974-H978 VanDerWaalsContact O-N 3.12Å; V974-L1022 HydrophobicContact CG2-CB 3.94Å; V974-L1022 HydrophobicContact CG2-CD1 3.79Å; V974-L1022 HydrophobicContact CG2-CG 4.39Å; V974-I1026 HydrophobicContact CG1-CD1 3.71Å; V974-I1026 HydrophobicContact CG2-CD1 4.1Å
975	C	92	Very high	87.2	Confident	4 Å²	4	53 Å²	53	3%	0.027	25%	0.254	C	S	.	.	H	α-helix	trans	-69	-43.4	179.3	-62.7	0	0	0	0	112.5	M943 F950 R971 F972 H978 Q979	M943-C975 HydrophobicContact CE-CB 4.3Å; F950-C975 HydrophobicContact CD1-CB 3.84Å; F950-C975 HydrophobicContact CD2-CB 4.12Å; F950-C975 HydrophobicContact CE1-CB 3.37Å; F950-C975 HydrophobicContact CE2-CB 3.68Å; F950-C975 HydrophobicContact CG-CB 4.17Å; F950-C975 HydrophobicContact CZ-CB 3.24Å; R971-C975 WeakPolarHBondContact O-CB 3.44Å; R971-C975 PolarHBondContact O-N 3.42Å; R971-C975 PolarHBondContact O-SG 3.34Å; F972-C975 PolarHBondContact O-N 2.9Å; C975-H978 PolarHBondContact O-N 3.48Å; C975-Q979 WeakPolarHBondContact O-CB 3.45Å; C975-Q979 PolarHBondContact O-N 3.35Å
976	M	91.1	Very high	87.1	Confident	28 Å²	28	56.6 Å²	56.6	14%	0.138	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-38	175.2	-76.4	-76.8	107.5	0	0	112.1	F950 F972 H978 Q979 I980 L991 A994	F950-M976 HydrophobicContact CE1-CE 3.8Å; F950-M976 HydrophobicContact CE1-CG 4.29Å; F950-M976 HydrophobicContact CE2-CE 4.18Å; F950-M976 HydrophobicContact CZ-CE 3.24Å; F950-M976 HydrophobicContact CZ-CG 4.37Å; F972-M976 HydrophobicContact CD1-CG 3.89Å; F972-M976 HydrophobicContact CD2-CG 4.13Å; F972-M976 HydrophobicContact CE1-CB 4.43Å; F972-M976 HydrophobicContact CE1-CG 3.5Å; F972-M976 HydrophobicContact CE1-SD 4.44Å; F972-M976 HydrophobicContact CE2-CG 3.77Å; F972-M976 HydrophobicContact CE2-SD 4.25Å; F972-M976 HydrophobicContact CG-CG 4.22Å; F972-M976 HydrophobicContact CZ-CG 3.45Å; F972-M976 VanDerWaalsContact CZ-CG 3.45Å; F972-M976 HydrophobicContact CZ-SD 3.9Å; F972-M976 VanDerWaalsContact O-CB 3.31Å; F972-M976 WeakPolarHBondContact O-CB 3.48Å; F972-M976 WeakPolarHBondContact O-CG 3.39Å; F972-M976 PolarHBondContact O-N 3.38Å; M976-H978 VanDerWaalsContact C-N 3.31Å; M976-H978 PolarHBondContact O-N 3.32Å; M976-Q979 PolarHBondContact O-N 2.78Å; M976-I980 HydrophobicContact CB-CD1 4.49Å; M976-I980 WeakPolarHBondContact O-CB 3.21Å; M976-I980 VanDerWaalsContact O-CG1 3.24Å; M976-I980 WeakPolarHBondContact O-CG1 3.28Å; M976-I980 PolarHBondContact O-N 3.09Å; M976-L991 HydrophobicContact CB-CD1 3.38Å; M976-L991 HydrophobicContact CG-CD1 4.38Å; M976-A994 HydrophobicContact SD-CB 3.86Å
977	L	91.7	Very high	87.1	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-38.5	176.7	-173.4	68.3	0	0	0	112.1	L973 G981 F982 V987 Y988 C1019 I1023	L973-L977 WeakPolarHBondContact O-CB 3.15Å; L973-L977 PolarHBondContact O-N 3.07Å; L977-G981 PolarHBondContact O-N 3.18Å; L977-F982 HydrophobicContact CD1-CD2 4.29Å; L977-F982 HydrophobicContact CD2-CD2 4.28Å; L977-F982 HydrophobicContact CG-CD2 4.45Å; L977-V987 HydrophobicContact CD1-CG1 3.39Å; L977-Y988 HydrophobicContact CD1-CE1 4.06Å; L977-C1019 HydrophobicContact CD2-CB 3.97Å; L977-I1023 HydrophobicContact CD2-CD1 3.89Å; L977-I1023 HydrophobicContact CD2-CG1 4.39Å
978	H	90	Very high	87.3	Confident	70 Å²	70	50.4 Å²	50.4	32%	0.324	24%	0.243	S	C	.	.	H	α-helix	trans	-66.1	-43.9	173	178.1	-102.1	0	0	0	112	D940 M943 V974 C975 M976 G981	D940-H978 IonicContact OD1-CD2 2.72Å; D940-H978 PolarHBondContact OD1-CD2 3.16Å; D940-H978 IonicContact OD1-CE1 3.38Å; D940-H978 IonicContact OD1-NE2 2.68Å; D940-H978 PolarHBondContact OD1-NE2 3.37Å; M943-H978 HydrophobicContact CE-CB 3.66Å; M943-H978 HydrophobicContact CG-CB 4.32Å; V974-H978 PolarHBondContact O-N 3Å; V974-H978 VanDerWaalsContact O-N 3.12Å; C975-H978 PolarHBondContact O-N 3.48Å; M976-H978 VanDerWaalsContact C-N 3.31Å; M976-H978 PolarHBondContact O-N 3.32Å; H978-G981 PolarHBondContact O-N 3.41Å
979	Q	87.5	Confident	87.3	Confident	133 Å²	133	48 Å²	48	62%	0.621	23%	0.232	S	C	*	.	H	α-helix	trans	-69	-39.4	-179.2	-174.8	174.9	-7.5	0	0	113.3	C975 M976 G981	C975-Q979 WeakPolarHBondContact O-CB 3.45Å; C975-Q979 PolarHBondContact O-N 3.35Å; M976-Q979 PolarHBondContact O-N 2.78Å; Q979-G981 VanDerWaalsContact C-N 3.32Å
980	I	87.6	Confident	87.3	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.118	25%	0.25	C	C	.	.	H	α-helix	trans	-71.1	-31.9	178	-69.1	167.1	0	0	0	110.9	M976 K984 V987 E990 L991	M976-I980 HydrophobicContact CB-CD1 4.49Å; M976-I980 WeakPolarHBondContact O-CB 3.21Å; M976-I980 VanDerWaalsContact O-CG1 3.24Å; M976-I980 WeakPolarHBondContact O-CG1 3.28Å; M976-I980 PolarHBondContact O-N 3.09Å; I980-K984 HydrophobicContact CG2-CD 4.21Å; I980-K984 WeakPolarHBondContact O-CD 3.29Å; I980-K984 WeakPolarHBondContact O-CE 3.42Å; I980-K984 PolarHBondContact O-NZ 3.2Å; I980-V987 HydrophobicContact CG2-CB 4.49Å; I980-V987 HydrophobicContact CG2-CG1 4.01Å; I980-V987 HydrophobicContact CG2-CG2 4.49Å; I980-E990 HydrophobicContact CD1-CB 4.09Å; I980-E990 HydrophobicContact CG2-CB 4.18Å; I980-E990 WeakPolarHBondContact CG2-OE2 3.43Å; I980-L991 HydrophobicContact CD1-CB 4.15Å; I980-L991 HydrophobicContact CD1-CD1 4.25Å
981	G	83.4	Confident	87.3	Confident	15 Å²	15	51.7 Å²	51.7	16%	0.155	25%	0.25	C	C	.	.			trans	90.3	127.5	-171.9	0	0	0	0	0	111.1	L977 H978 Q979 D983 V987	L977-G981 PolarHBondContact O-N 3.18Å; H978-G981 PolarHBondContact O-N 3.41Å; Q979-G981 VanDerWaalsContact C-N 3.32Å; G981-D983 WeakPolarHBondContact CA-OD1 3.4Å; G981-D983 PolarHBondContact O-N 3.39Å; G981-V987 WeakPolarHBondContact O-CG2 3.28Å
982	F	80	Confident	87.3	Confident	51 Å²	51	52.8 Å²	52.8	22%	0.224	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-10.7	178.3	-177.2	-97.6	0	0	0	113.2	R932 V935 L977 Y988 I1023	R932-F982 HydrophobicContact CG-CD1 4.39Å; R932-F982 HydrophobicContact CG-CE1 4.16Å; V935-F982 HydrophobicContact CB-CE1 4.47Å; V935-F982 HydrophobicContact CG1-CD1 4.18Å; V935-F982 HydrophobicContact CG1-CD2 4.24Å; V935-F982 HydrophobicContact CG1-CE1 4.32Å; V935-F982 HydrophobicContact CG1-CE2 4.36Å; V935-F982 HydrophobicContact CG1-CG 4.15Å; V935-F982 HydrophobicContact CG1-CZ 4.41Å; L977-F982 HydrophobicContact CD1-CD2 4.29Å; L977-F982 HydrophobicContact CD2-CD2 4.28Å; L977-F982 HydrophobicContact CG-CD2 4.45Å; F982-Y988 VanDerWaalsContact CE2-OH 3.3Å; F982-Y988 WeakPolarHBondContact CE2-OH 3.19Å; F982-I1023 HydrophobicContact CD2-CD1 4.17Å; F982-I1023 HydrophobicContact CE2-CD1 3.77Å
983	D	72.4	Confident	87.2	Confident	102 Å²	102	57.1 Å²	57.1	55%	0.545	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.3	-170.4	53.2	-26.1	0	0	0	114.9	G981	G981-D983 WeakPolarHBondContact CA-OD1 3.4Å; G981-D983 PolarHBondContact O-N 3.39Å
984	K	76.8	Confident	87.1	Confident	98 Å²	98	58.3 Å²	58.3	43%	0.426	28%	0.284	S	S	.	.	S	Bend	trans	-73.7	160.5	175.3	-53.6	177.8	175.2	175.7	0	111.8	I980 V987 E990	I980-K984 HydrophobicContact CG2-CD 4.21Å; I980-K984 WeakPolarHBondContact O-CD 3.29Å; I980-K984 WeakPolarHBondContact O-CE 3.42Å; I980-K984 PolarHBondContact O-NZ 3.2Å; K984-V987 HydrophobicContact CB-CG2 3.58Å; K984-V987 HydrophobicContact CG-CG2 4.46Å; K984-V987 WeakPolarHBondContact O-CG2 3.48Å; K984-E990 IonicContact NZ-OE1 2.73Å; K984-E990 IonicContact NZ-OE2 3.79Å; K984-E990 PolarHBondContact NZ-OE2 3.1Å
985	E	75.5	Confident	87.1	Confident	189 Å²	189	58.1 Å²	58.1	88%	0.883	28%	0.283	S	S	*	.	S	Bend	trans	-76.1	-33.4	177.2	-66.5	-172.5	158.2	0	0	112.8
986	N	83.6	Confident	87	Confident	112 Å²	112	63.2 Å²	63.2	60%	0.599	30%	0.301	S	S	*	.	S	Bend	trans	-106.9	23.9	-172.9	-66.6	-24	0	0	0	114.5	Y988 E989 E990	N986-Y988 VanDerWaalsContact C-N 3.28Å; N986-Y988 PolarHBondContact O-N 3.41Å; N986-Y988 VanDerWaalsContact O-N 3.16Å; N986-E989 PolarHBondContact O-N 3.01Å; N986-E989 VanDerWaalsContact O-N 3.07Å; N986-E990 PolarHBondContact O-N 3.4Å; N986-E990 VanDerWaalsContact O-N 3.09Å
987	V	88.2	Confident	87	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-51.8	-43.6	-171.8	177.9	0	0	0	0	113.2	L977 I980 G981 K984 E990 L991	L977-V987 HydrophobicContact CD1-CG1 3.39Å; I980-V987 HydrophobicContact CG2-CB 4.49Å; I980-V987 HydrophobicContact CG2-CG1 4.01Å; I980-V987 HydrophobicContact CG2-CG2 4.49Å; G981-V987 WeakPolarHBondContact O-CG2 3.28Å; K984-V987 HydrophobicContact CB-CG2 3.58Å; K984-V987 HydrophobicContact CG-CG2 4.46Å; K984-V987 WeakPolarHBondContact O-CG2 3.48Å; V987-E990 PolarHBondContact O-N 2.86Å; V987-L991 VanDerWaalsContact O-CB 3.3Å; V987-L991 WeakPolarHBondContact O-CB 3.2Å; V987-L991 PolarHBondContact O-N 3.16Å
988	Y	91.1	Very high	86.9	Confident	30 Å²	30	67.2 Å²	67.2	12%	0.118	33%	0.328	C	S	.	.	H	α-helix	trans	-78.7	-20.6	-174.4	-59.2	-70.8	0	0	0	113.5	L977 F982 N986 L991 R992 Q1016 C1019	L977-Y988 HydrophobicContact CD1-CE1 4.06Å; F982-Y988 VanDerWaalsContact CE2-OH 3.3Å; F982-Y988 WeakPolarHBondContact CE2-OH 3.19Å; N986-Y988 VanDerWaalsContact C-N 3.28Å; N986-Y988 PolarHBondContact O-N 3.41Å; N986-Y988 VanDerWaalsContact O-N 3.16Å; Y988-L991 HydrophobicContact CD1-CD2 4.21Å; Y988-R992 WeakPolarHBondContact O-CB 3.47Å; Y988-R992 PolarHBondContact O-N 3.07Å; Y988-R992 VanDerWaalsContact O-N 3.07Å; Y988-Q1016 HydrophobicContact CD1-CB 3.81Å; Y988-Q1016 HydrophobicContact CD1-CG 4.36Å; Y988-Q1016 HydrophobicContact CD2-CB 3.91Å; Y988-Q1016 HydrophobicContact CD2-CG 3.88Å; Y988-Q1016 HydrophobicContact CE1-CB 3.93Å; Y988-Q1016 HydrophobicContact CE1-CG 4.06Å; Y988-Q1016 HydrophobicContact CE2-CB 4.02Å; Y988-Q1016 HydrophobicContact CE2-CG 3.55Å; Y988-Q1016 HydrophobicContact CG-CB 3.78Å; Y988-Q1016 HydrophobicContact CG-CG 4.26Å; Y988-C1019 HydrophobicContact CE1-CB 3.9Å
989	E	89.4	Confident	86.9	Confident	95 Å²	95	69.2 Å²	69.2	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-79	-40.5	171.1	-156.4	64.3	-144.5	0	0	110.3	N986 L991 R992 Q993 A1012	N986-E989 PolarHBondContact O-N 3.01Å; N986-E989 VanDerWaalsContact O-N 3.07Å; E989-L991 VanDerWaalsContact C-N 3.33Å; E989-L991 PolarHBondContact O-N 2.56Å; E989-R992 WeakPolarHBondContact O-CB 3.36Å; E989-R992 PolarHBondContact O-N 3.09Å; E989-R992 WeakPolarHBondContact OE1-CD 3.34Å; E989-R992 IonicContact OE1-NH1 3.71Å; E989-R992 PolarHBondContact OE1-NH1 3.2Å; E989-Q993 PolarHBondContact O-N 3.42Å; E989-A1012 WeakPolarHBondContact OE2-CB 3.13Å
990	E	89.7	Confident	86.9	Confident	81 Å²	81	68.6 Å²	68.6	38%	0.379	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-43.7	169.7	-74.5	-173.3	-152.4	0	0	111.1	I980 K984 N986 V987 R992 Q993 A994	I980-E990 HydrophobicContact CD1-CB 4.09Å; I980-E990 HydrophobicContact CG2-CB 4.18Å; I980-E990 WeakPolarHBondContact CG2-OE2 3.43Å; K984-E990 IonicContact NZ-OE1 2.73Å; K984-E990 IonicContact NZ-OE2 3.79Å; K984-E990 PolarHBondContact NZ-OE2 3.1Å; N986-E990 PolarHBondContact O-N 3.4Å; N986-E990 VanDerWaalsContact O-N 3.09Å; V987-E990 PolarHBondContact O-N 2.86Å; E990-R992 VanDerWaalsContact C-N 3.34Å; E990-R992 PolarHBondContact O-N 3.48Å; E990-Q993 PolarHBondContact O-N 2.84Å; E990-A994 WeakPolarHBondContact O-CB 3.49Å; E990-A994 PolarHBondContact O-N 3.16Å
991	L	92.4	Very high	87	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-41.8	176.6	-175.3	64.2	0	0	0	111.8	L973 M976 I980 V987 Y988 E989 Q993 A994 V995 L1015 C1019	L973-L991 HydrophobicContact CD2-CD1 4.18Å; L973-L991 HydrophobicContact CD2-CD2 3.98Å; L973-L991 HydrophobicContact CD2-CG 4.08Å; M976-L991 HydrophobicContact CB-CD1 3.38Å; M976-L991 HydrophobicContact CG-CD1 4.38Å; I980-L991 HydrophobicContact CD1-CB 4.15Å; I980-L991 HydrophobicContact CD1-CD1 4.25Å; V987-L991 VanDerWaalsContact O-CB 3.3Å; V987-L991 WeakPolarHBondContact O-CB 3.2Å; V987-L991 PolarHBondContact O-N 3.16Å; Y988-L991 HydrophobicContact CD1-CD2 4.21Å; E989-L991 VanDerWaalsContact C-N 3.33Å; E989-L991 PolarHBondContact O-N 2.56Å; L991-Q993 VanDerWaalsContact C-N 3.34Å; L991-A994 WeakPolarHBondContact O-CB 3.37Å; L991-A994 PolarHBondContact O-N 3.39Å; L991-V995 WeakPolarHBondContact O-CG2 3.21Å; L991-V995 PolarHBondContact O-N 3.22Å; L991-L1015 HydrophobicContact CD2-CB 4.45Å; L991-C1019 VanDerWaalsContact CD2-SG 3.59Å
992	R	92.6	Very high	87.2	Confident	54 Å²	54	75.4 Å²	75.4	20%	0.204	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-42.9	176	-172.4	-172.3	-172.4	-168.9	0.7	111.6	Y988 E989 E990 V995 R996 R1010 L1015	Y988-R992 WeakPolarHBondContact O-CB 3.47Å; Y988-R992 PolarHBondContact O-N 3.07Å; Y988-R992 VanDerWaalsContact O-N 3.07Å; E989-R992 WeakPolarHBondContact O-CB 3.36Å; E989-R992 PolarHBondContact O-N 3.09Å; E989-R992 WeakPolarHBondContact OE1-CD 3.34Å; E989-R992 IonicContact OE1-NH1 3.71Å; E989-R992 PolarHBondContact OE1-NH1 3.2Å; E990-R992 VanDerWaalsContact C-N 3.34Å; E990-R992 PolarHBondContact O-N 3.48Å; R992-V995 PolarHBondContact O-N 3.01Å; R992-R996 VanDerWaalsContact NH2-NH2 3.15Å; R992-R996 WeakPolarHBondContact O-CG 3.48Å; R992-R996 PolarHBondContact O-N 3Å; R992-R996 VanDerWaalsContact O-N 3.16Å; R992-R1010 PolarHBondContact NE-O 2.83Å; R992-R1010 VanDerWaalsContact NE-O 3.17Å; R992-L1015 HydrophobicContact CB-CD1 3.88Å; R992-L1015 HydrophobicContact CG-CD1 4.25Å
993	Q	90.7	Very high	87.6	Confident	102 Å²	102	81.2 Å²	81.2	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-66.8	-39.6	177.2	-169.2	63.8	6.7	0	0	111.5	E989 E990 L991 V995 R996 V997	E989-Q993 PolarHBondContact O-N 3.42Å; E990-Q993 PolarHBondContact O-N 2.84Å; L991-Q993 VanDerWaalsContact C-N 3.34Å; Q993-V995 VanDerWaalsContact C-N 3.34Å; Q993-V995 PolarHBondContact O-N 3.46Å; Q993-R996 PolarHBondContact O-N 2.92Å; Q993-R996 VanDerWaalsContact O-N 3.15Å; Q993-V997 WeakPolarHBondContact O-CG2 3.14Å; Q993-V997 PolarHBondContact O-N 3.26Å; Q993-V997 VanDerWaalsContact O-N 3.08Å
994	A	91.7	Very high	88.3	Confident	25 Å²	25	78.3 Å²	78.3	21%	0.207	37%	0.374	C	S	.	.	H	α-helix	trans	-59.4	-43.3	174.6	0	0	0	0	0	112.1	M976 E990 L991 R996 V997 A998	M976-A994 HydrophobicContact SD-CB 3.86Å; E990-A994 WeakPolarHBondContact O-CB 3.49Å; E990-A994 PolarHBondContact O-N 3.16Å; L991-A994 WeakPolarHBondContact O-CB 3.37Å; L991-A994 PolarHBondContact O-N 3.39Å; A994-R996 VanDerWaalsContact C-N 3.33Å; A994-R996 PolarHBondContact O-N 3.31Å; A994-V997 PolarHBondContact O-N 2.98Å; A994-A998 WeakPolarHBondContact O-CB 3.45Å; A994-A998 PolarHBondContact O-N 3.45Å
995	V	92	Very high	88.8	Confident	2 Å²	2	83.3 Å²	83.3	1%	0.012	39%	0.391	C	S	.	.	H	α-helix	trans	-59.5	-41.4	174.1	168.7	0	0	0	0	111.9	F972 L973 L991 R992 Q993 F1001 I1007 K1008	F972-V995 HydrophobicContact CD1-CG2 4.1Å; F972-V995 HydrophobicContact CE1-CB 4.44Å; F972-V995 HydrophobicContact CE1-CG2 3.7Å; L973-V995 HydrophobicContact CD2-CG2 3.98Å; L991-V995 WeakPolarHBondContact O-CG2 3.21Å; L991-V995 PolarHBondContact O-N 3.22Å; R992-V995 PolarHBondContact O-N 3.01Å; Q993-V995 VanDerWaalsContact C-N 3.34Å; Q993-V995 PolarHBondContact O-N 3.46Å; V995-F1001 HydrophobicContact CG1-CD2 4.37Å; V995-I1007 HydrophobicContact CG1-CB 4.26Å; V995-I1007 HydrophobicContact CG1-CD1 4.02Å; V995-I1007 HydrophobicContact CG1-CG1 3.8Å; V995-I1007 HydrophobicContact CG1-CG2 3.86Å; V995-I1007 HydrophobicContact CG2-CD1 4.24Å; V995-K1008 HydrophobicContact CG1-CG 4.39Å
996	R	90.6	Very high	89.5	Confident	110 Å²	110	77.7 Å²	77.7	42%	0.415	36%	0.364	S	S	.	.	H	α-helix	trans	-67.8	-37.9	-178.7	-74.9	176.6	174.2	177	-5.6	113.2	R992 Q993 A994 K1008	R992-R996 VanDerWaalsContact NH2-NH2 3.15Å; R992-R996 WeakPolarHBondContact O-CG 3.48Å; R992-R996 PolarHBondContact O-N 3Å; R992-R996 VanDerWaalsContact O-N 3.16Å; Q993-R996 PolarHBondContact O-N 2.92Å; Q993-R996 VanDerWaalsContact O-N 3.15Å; A994-R996 VanDerWaalsContact C-N 3.33Å; A994-R996 PolarHBondContact O-N 3.31Å; R996-K1008 VanDerWaalsContact O-CE 3.3Å; R996-K1008 WeakPolarHBondContact O-CE 3.33Å
997	V	91.1	Very high	89.9	Confident	105 Å²	105	72.4 Å²	72.4	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-83.3	-23.8	-177.2	178.3	0	0	0	0	112.1	Q993 A994 P999	Q993-V997 WeakPolarHBondContact O-CG2 3.14Å; Q993-V997 PolarHBondContact O-N 3.26Å; Q993-V997 VanDerWaalsContact O-N 3.08Å; A994-V997 PolarHBondContact O-N 2.98Å; V997-P999 WeakPolarHBondContact O-CD 3.12Å
998	A	89.6	Confident	90	Very high	10 Å²	10	74.4 Å²	74.4	8%	0.083	34%	0.344	C	S	.	.			trans	-60.4	123	-175.8	0	0	0	0	0	112.9	F972 A994 Q1000 F1001	F972-A998 HydrophobicContact CE2-CB 3.95Å; F972-A998 HydrophobicContact CZ-CB 3.69Å; A994-A998 WeakPolarHBondContact O-CB 3.45Å; A994-A998 PolarHBondContact O-N 3.45Å; A998-Q1000 VanDerWaalsContact C-N 3.27Å; A998-Q1000 HydrophobicContact CB-CG 4.28Å; A998-Q1000 PolarHBondContact O-N 2.88Å; A998-F1001 HydrophobicContact CB-CD2 3.78Å; A998-F1001 HydrophobicContact CB-CE2 4.28Å; A998-F1001 PolarHBondContact O-N 3.46Å; A998-F1001 VanDerWaalsContact O-N 3.16Å
999	P	88.9	Confident	90	Very high	112 Å²	112	75.9 Å²	75.9	73%	0.727	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-59.4	-33.6	-179.2	-25.9	34.2	0	0	0	114.1	V997 F1001 R1002	V997-P999 WeakPolarHBondContact O-CD 3.12Å; P999-F1001 PolarHBondContact O-N 2.91Å; P999-R1002 VanDerWaalsContact O-CB 3.27Å; P999-R1002 WeakPolarHBondContact O-CB 3.36Å; P999-R1002 PolarHBondContact O-N 3.13Å
1000	Q	87.6	Confident	90.1	Very high	120 Å²	120	73.9 Å²	73.9	56%	0.561	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-63.9	-24.2	179.6	64.3	-134	62	0	0	113.8	A998	A998-Q1000 VanDerWaalsContact C-N 3.27Å; A998-Q1000 HydrophobicContact CB-CG 4.28Å; A998-Q1000 PolarHBondContact O-N 2.88Å
1001	F	90.2	Very high	90.3	Very high	7 Å²	7	72.8 Å²	72.8	3%	0.031	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-100.8	20.3	176.2	-54	-52.9	0	0	0	112	E969 F972 V995 A998 P999 F1003 D1004 I1007 K1008	E969-F1001 HydrophobicContact CG-CE1 4.2Å; F972-F1001 HydrophobicContact CB-CE2 3.97Å; F972-F1001 HydrophobicContact CB-CZ 3.7Å; F972-F1001 AromaticContact CD1-CE2 3.45Å; F972-F1001 HydrophobicContact CD1-CE2 3.45Å; F972-F1001 VanDerWaalsContact CD1-CE2 3.45Å; F972-F1001 HydrophobicContact CD1-CZ 4.06Å; F972-F1001 AromaticContact CD2-CE2 3.83Å; F972-F1001 HydrophobicContact CD2-CE2 3.83Å; F972-F1001 HydrophobicContact CD2-CZ 4.26Å; F972-F1001 HydrophobicContact CE1-CD2 4.45Å; F972-F1001 AromaticContact CE1-CE2 3.74Å; F972-F1001 HydrophobicContact CE1-CE2 3.74Å; F972-F1001 HydrophobicContact CE2-CE2 4.1Å; F972-F1001 AromaticContact CG-CE2 3.46Å; F972-F1001 HydrophobicContact CG-CE2 3.46Å; F972-F1001 VanDerWaalsContact CG-CE2 3.46Å; F972-F1001 AromaticContact CG-CZ 3.75Å; F972-F1001 HydrophobicContact CG-CZ 3.75Å; F972-F1001 HydrophobicContact CZ-CE2 4.06Å; V995-F1001 HydrophobicContact CG1-CD2 4.37Å; A998-F1001 HydrophobicContact CB-CD2 3.78Å; A998-F1001 HydrophobicContact CB-CE2 4.28Å; A998-F1001 PolarHBondContact O-N 3.46Å; A998-F1001 VanDerWaalsContact O-N 3.16Å; P999-F1001 PolarHBondContact O-N 2.91Å; F1001-F1003 PolarHBondContact O-N 2.87Å; F1001-F1003 VanDerWaalsContact O-N 3.14Å; F1001-D1004 HydrophobicContact CB-CB 4.12Å; F1001-D1004 HydrophobicContact CD1-CB 4.15Å; F1001-D1004 PolarHBondContact O-N 3.42Å; F1001-I1007 HydrophobicContact CB-CG2 3.93Å; F1001-I1007 HydrophobicContact CD1-CG2 3.84Å; F1001-I1007 HydrophobicContact CD2-CD1 4.41Å; F1001-I1007 HydrophobicContact CD2-CG2 4.27Å; F1001-I1007 HydrophobicContact CE1-CD1 4.21Å; F1001-I1007 HydrophobicContact CE1-CG2 4.46Å; F1001-I1007 HydrophobicContact CE2-CD1 4.1Å; F1001-I1007 HydrophobicContact CG-CG2 3.74Å; F1001-I1007 HydrophobicContact CZ-CD1 3.98Å; F1001-K1008 WeakPolarHBondContact O-CD 3.34Å; F1001-K1008 WeakPolarHBondContact O-CE 3.27Å; F1001-K1008 PolarHBondContact O-NZ 3.5Å
1002	R	86.4	Confident	90.3	Very high	175 Å²	175	73.6 Å²	73.6	66%	0.66	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-44.1	-179.5	-177.1	176.1	176.3	95.6	0	112	P999 K1008	P999-R1002 VanDerWaalsContact O-CB 3.27Å; P999-R1002 WeakPolarHBondContact O-CB 3.36Å; P999-R1002 PolarHBondContact O-N 3.13Å; R1002-K1008 PolarHBondContact O-NZ 3.32Å
1003	F	88.6	Confident	90.1	Very high	172 Å²	172	76.3 Å²	76.3	75%	0.754	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	3.3	-178.1	-57.9	-67.1	0	0	0	114.4	F1001 W1005	F1001-F1003 PolarHBondContact O-N 2.87Å; F1001-F1003 VanDerWaalsContact O-N 3.14Å; F1003-W1005 PolarHBondContact O-N 2.82Å
1004	D	86.8	Confident	90.2	Very high	42 Å²	42	74.4 Å²	74.4	23%	0.225	36%	0.359	C	S	.	.			trans	-91.4	91	178.8	-163.9	-29.2	0	0	0	110.7	F1001 F1006 I1007 K1008	F1001-D1004 HydrophobicContact CB-CB 4.12Å; F1001-D1004 HydrophobicContact CD1-CB 4.15Å; F1001-D1004 PolarHBondContact O-N 3.42Å; D1004-F1006 VanDerWaalsContact C-N 3.31Å; D1004-F1006 PolarHBondContact OD1-N 3.09Å; D1004-F1006 VanDerWaalsContact OD1-N 3.12Å; D1004-I1007 HydrophobicContact CB-CG2 4.03Å; D1004-I1007 PolarHBondContact OD1-N 3.09Å; D1004-K1008 WeakPolarHBondContact O-CB 3.19Å; D1004-K1008 WeakPolarHBondContact O-CG 3.48Å; D1004-K1008 PolarHBondContact O-N 2.57Å
1005	W	87.7	Confident	90.2	Very high	202 Å²	202	73.2 Å²	73.2	77%	0.765	35%	0.35	S	S	*	.	H	α-helix	trans	-72.3	-24.3	178.8	-80.7	103	0	0	0	113.3	F1003 S1009	F1003-W1005 PolarHBondContact O-N 2.82Å; W1005-S1009 VanDerWaalsContact O-CB 3.26Å; W1005-S1009 WeakPolarHBondContact O-CB 3.42Å; W1005-S1009 PolarHBondContact O-N 3.16Å; W1005-S1009 PolarHBondContact O-OG 2.99Å
1006	F	91.5	Very high	90.2	Very high	72 Å²	72	76.8 Å²	76.8	32%	0.316	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-54	-177.5	171.6	-98.1	0	0	0	110.1	N964 Y965 D1004 S1009 R1010	N964-F1006 HydrophobicContact CB-CZ 3.91Å; N964-F1006 WeakPolarHBondContact O-CE1 3.25Å; N964-F1006 WeakPolarHBondContact O-CZ 3.39Å; Y965-F1006 AromaticContact CD1-CE1 4Å; Y965-F1006 HydrophobicContact CD1-CE1 4Å; Y965-F1006 HydrophobicContact CD2-CE1 4.43Å; Y965-F1006 AromaticContact CE1-CE1 3.95Å; Y965-F1006 HydrophobicContact CE1-CE1 3.95Å; Y965-F1006 HydrophobicContact CE2-CE1 4.38Å; Y965-F1006 HydrophobicContact CE2-CZ 4.32Å; Y965-F1006 HydrophobicContact CG-CE1 4.25Å; D1004-F1006 VanDerWaalsContact C-N 3.31Å; D1004-F1006 PolarHBondContact OD1-N 3.09Å; D1004-F1006 VanDerWaalsContact OD1-N 3.12Å; F1006-S1009 PolarHBondContact O-N 2.93Å; F1006-S1009 PolarHBondContact O-OG 3.34Å; F1006-R1010 PolarHBondContact O-NE 3.34Å
1007	I	91.6	Very high	90.2	Very high	1 Å²	1	79 Å²	79	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-68.9	-37.3	179.6	-157.9	-177	0	0	0	112.2	E969 V995 F1001 D1004 S1009 R1010	E969-I1007 HydrophobicContact CB-CD1 3.78Å; E969-I1007 HydrophobicContact CG-CD1 3.97Å; V995-I1007 HydrophobicContact CG1-CB 4.26Å; V995-I1007 HydrophobicContact CG1-CD1 4.02Å; V995-I1007 HydrophobicContact CG1-CG1 3.8Å; V995-I1007 HydrophobicContact CG1-CG2 3.86Å; V995-I1007 HydrophobicContact CG2-CD1 4.24Å; F1001-I1007 HydrophobicContact CB-CG2 3.93Å; F1001-I1007 HydrophobicContact CD1-CG2 3.84Å; F1001-I1007 HydrophobicContact CD2-CD1 4.41Å; F1001-I1007 HydrophobicContact CD2-CG2 4.27Å; F1001-I1007 HydrophobicContact CE1-CD1 4.21Å; F1001-I1007 HydrophobicContact CE1-CG2 4.46Å; F1001-I1007 HydrophobicContact CE2-CD1 4.1Å; F1001-I1007 HydrophobicContact CG-CG2 3.74Å; F1001-I1007 HydrophobicContact CZ-CD1 3.98Å; D1004-I1007 HydrophobicContact CB-CG2 4.03Å; D1004-I1007 PolarHBondContact OD1-N 3.09Å; I1007-S1009 VanDerWaalsContact C-N 3.27Å; I1007-S1009 PolarHBondContact O-N 3.21Å; I1007-R1010 WeakPolarHBondContact O-CB 3.2Å; I1007-R1010 WeakPolarHBondContact O-CG 3.38Å; I1007-R1010 PolarHBondContact O-N 3.45Å
1008	K	90	Very high	90.2	Very high	46 Å²	46	75.3 Å²	75.3	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-25.9	178.6	-78.3	-177.4	164.3	174.9	0	114	V995 R996 F1001 R1002 D1004 R1010	V995-K1008 HydrophobicContact CG1-CG 4.39Å; R996-K1008 VanDerWaalsContact O-CE 3.3Å; R996-K1008 WeakPolarHBondContact O-CE 3.33Å; F1001-K1008 WeakPolarHBondContact O-CD 3.34Å; F1001-K1008 WeakPolarHBondContact O-CE 3.27Å; F1001-K1008 PolarHBondContact O-NZ 3.5Å; R1002-K1008 PolarHBondContact O-NZ 3.32Å; D1004-K1008 WeakPolarHBondContact O-CB 3.19Å; D1004-K1008 WeakPolarHBondContact O-CG 3.48Å; D1004-K1008 PolarHBondContact O-N 2.57Å; K1008-R1010 VanDerWaalsContact C-N 3.33Å
1009	S	91.4	Very high	90.3	Very high	60 Å²	60	75 Å²	75	42%	0.42	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.6	177.9	71.4	0	0	0	0	113.9	W1005 F1006 I1007	W1005-S1009 VanDerWaalsContact O-CB 3.26Å; W1005-S1009 WeakPolarHBondContact O-CB 3.42Å; W1005-S1009 PolarHBondContact O-N 3.16Å; W1005-S1009 PolarHBondContact O-OG 2.99Å; F1006-S1009 PolarHBondContact O-N 2.93Å; F1006-S1009 PolarHBondContact O-OG 3.34Å; I1007-S1009 VanDerWaalsContact C-N 3.27Å; I1007-S1009 PolarHBondContact O-N 3.21Å
1010	R	91.7	Very high	90.3	Very high	54 Å²	54	73 Å²	73	20%	0.204	33%	0.33	C	S	.	.			trans	-66.3	141.5	-174.3	-60	-60.8	88.6	-153.6	-2.5	112.2	Y965 R992 F1006 I1007 K1008 E1014 L1015	Y965-R1010 WeakPolarHBondContact OH-CD 3.49Å; R992-R1010 PolarHBondContact NE-O 2.83Å; R992-R1010 VanDerWaalsContact NE-O 3.17Å; F1006-R1010 PolarHBondContact O-NE 3.34Å; I1007-R1010 WeakPolarHBondContact O-CB 3.2Å; I1007-R1010 WeakPolarHBondContact O-CG 3.38Å; I1007-R1010 PolarHBondContact O-N 3.45Å; K1008-R1010 VanDerWaalsContact C-N 3.33Å; R1010-E1014 WeakPolarHBondContact CA-OE2 3.25Å; R1010-E1014 HydrophobicContact CB-CB 4.44Å; R1010-E1014 IonicContact CZ-OE1 2.99Å; R1010-E1014 IonicContact CZ-OE2 3.63Å; R1010-E1014 IonicContact NE-OE2 3.68Å; R1010-E1014 IonicContact NH1-OE1 2.95Å; R1010-E1014 PolarHBondContact NH1-OE1 3Å; R1010-E1014 IonicContact NH1-OE2 3.59Å; R1010-E1014 PolarHBondContact NH1-OE2 3.46Å; R1010-E1014 VanDerWaalsContact NH1-OE2 3.09Å; R1010-L1015 HydrophobicContact CB-CD2 3.72Å; R1010-L1015 HydrophobicContact CB-CG 3.88Å; R1010-L1015 HydrophobicContact CG-CD2 4.11Å
1011	T	93.2	Very high	90.4	Very high	57 Å²	57	70.1 Å²	70.1	35%	0.35	32%	0.32	S	S	.	.			trans	-80	157.7	170.2	62.5	0	0	0	0	110.7	M1013 E1014 L1015	T1011-M1013 PolarHBondContact O-N 2.56Å; T1011-E1014 PolarHBondContact N-OE2 3.17Å; T1011-E1014 PolarHBondContact O-N 3.14Å; T1011-E1014 VanDerWaalsContact OG1-CG 3.26Å; T1011-E1014 WeakPolarHBondContact OG1-CG 3.44Å; T1011-E1014 PolarHBondContact OG1-N 3.37Å; T1011-E1014 PolarHBondContact OG1-OE2 2.9Å; T1011-L1015 PolarHBondContact O-N 3.15Å
1012	A	91.3	Very high	90.4	Very high	17 Å²	17	69.9 Å²	69.9	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-56	-34.6	175.3	0	0	0	0	0	112.3	E989 L1015 Q1016	E989-A1012 WeakPolarHBondContact OE2-CB 3.13Å; A1012-L1015 PolarHBondContact O-N 3.08Å; A1012-Q1016 VanDerWaalsContact O-CB 3.28Å; A1012-Q1016 WeakPolarHBondContact O-CB 3.41Å; A1012-Q1016 PolarHBondContact O-N 2.75Å
1013	M	90.4	Very high	90.6	Very high	111 Å²	111	62 Å²	62	55%	0.547	29%	0.29	S	S	.	.	H	α-helix	trans	-68.2	-37.4	176.6	-166.4	-178.5	-62.6	0	0	112.8	T1011 Q1016 R1017	T1011-M1013 PolarHBondContact O-N 2.56Å; M1013-Q1016 PolarHBondContact O-N 3.15Å; M1013-R1017 WeakPolarHBondContact O-CG 3.2Å; M1013-R1017 PolarHBondContact O-N 2.7Å; M1013-R1017 PolarHBondContact SD-NH2 2.85Å; M1013-R1017 VanDerWaalsContact SD-NH2 3.41Å
1014	E	91.5	Very high	90.6	Very high	62 Å²	62	57.2 Å²	57.2	29%	0.29	28%	0.278	S	S	.	.	H	α-helix	trans	-70	-42.6	175.3	-71.9	169.7	143.6	0	0	111.7	R1010 T1011 Q1016 R1017 R1018	R1010-E1014 WeakPolarHBondContact CA-OE2 3.25Å; R1010-E1014 HydrophobicContact CB-CB 4.44Å; R1010-E1014 IonicContact CZ-OE1 2.99Å; R1010-E1014 IonicContact CZ-OE2 3.63Å; R1010-E1014 IonicContact NE-OE2 3.68Å; R1010-E1014 IonicContact NH1-OE1 2.95Å; R1010-E1014 PolarHBondContact NH1-OE1 3Å; R1010-E1014 IonicContact NH1-OE2 3.59Å; R1010-E1014 PolarHBondContact NH1-OE2 3.46Å; R1010-E1014 VanDerWaalsContact NH1-OE2 3.09Å; T1011-E1014 PolarHBondContact N-OE2 3.17Å; T1011-E1014 PolarHBondContact O-N 3.14Å; T1011-E1014 VanDerWaalsContact OG1-CG 3.26Å; T1011-E1014 WeakPolarHBondContact OG1-CG 3.44Å; T1011-E1014 PolarHBondContact OG1-N 3.37Å; T1011-E1014 PolarHBondContact OG1-OE2 2.9Å; E1014-Q1016 VanDerWaalsContact C-N 3.31Å; E1014-Q1016 PolarHBondContact O-N 3.35Å; E1014-R1017 PolarHBondContact O-N 2.79Å; E1014-R1018 PolarHBondContact O-N 3.44Å
1015	L	92.3	Very high	90.7	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-42	173.2	-66.7	-179.4	0	0	0	110.8	L973 L991 R992 R1010 T1011 A1012 R1017 R1018 C1019	L973-L1015 HydrophobicContact CD1-CD2 4.27Å; L973-L1015 HydrophobicContact CD2-CD2 3.89Å; L991-L1015 HydrophobicContact CD2-CB 4.45Å; R992-L1015 HydrophobicContact CB-CD1 3.88Å; R992-L1015 HydrophobicContact CG-CD1 4.25Å; R1010-L1015 HydrophobicContact CB-CD2 3.72Å; R1010-L1015 HydrophobicContact CB-CG 3.88Å; R1010-L1015 HydrophobicContact CG-CD2 4.11Å; T1011-L1015 PolarHBondContact O-N 3.15Å; A1012-L1015 PolarHBondContact O-N 3.08Å; L1015-R1017 PolarHBondContact O-N 3.04Å; L1015-R1018 PolarHBondContact O-N 3.22Å; L1015-C1019 WeakPolarHBondContact O-CB 2.97Å; L1015-C1019 PolarHBondContact O-N 3.2Å; L1015-C1019 PolarHBondContact O-SG 3.28Å
1016	Q	91.9	Very high	90.7	Very high	77 Å²	77	46.6 Å²	46.6	36%	0.36	24%	0.236	S	C	.	.	H	α-helix	trans	-58.9	-46.5	174.9	178.5	175.3	31	0	0	112.5	Y988 A1012 M1013 E1014 R1018 C1019 N1020	Y988-Q1016 HydrophobicContact CD1-CB 3.81Å; Y988-Q1016 HydrophobicContact CD1-CG 4.36Å; Y988-Q1016 HydrophobicContact CD2-CB 3.91Å; Y988-Q1016 HydrophobicContact CD2-CG 3.88Å; Y988-Q1016 HydrophobicContact CE1-CB 3.93Å; Y988-Q1016 HydrophobicContact CE1-CG 4.06Å; Y988-Q1016 HydrophobicContact CE2-CB 4.02Å; Y988-Q1016 HydrophobicContact CE2-CG 3.55Å; Y988-Q1016 HydrophobicContact CG-CB 3.78Å; Y988-Q1016 HydrophobicContact CG-CG 4.26Å; A1012-Q1016 VanDerWaalsContact O-CB 3.28Å; A1012-Q1016 WeakPolarHBondContact O-CB 3.41Å; A1012-Q1016 PolarHBondContact O-N 2.75Å; M1013-Q1016 PolarHBondContact O-N 3.15Å; E1014-Q1016 VanDerWaalsContact C-N 3.31Å; E1014-Q1016 PolarHBondContact O-N 3.35Å; Q1016-R1018 VanDerWaalsContact C-N 3.31Å; Q1016-R1018 PolarHBondContact O-N 3.46Å; Q1016-C1019 PolarHBondContact O-N 2.92Å; Q1016-N1020 WeakPolarHBondContact O-CB 3.39Å; Q1016-N1020 PolarHBondContact O-N 3.25Å; Q1016-N1020 PolarHBondContact O-ND2 2.95Å
1017	R	90.5	Very high	90.6	Very high	157 Å²	157	45.5 Å²	45.5	59%	0.592	23%	0.232	S	C	*	.	H	α-helix	trans	-61.1	-41.8	176.5	-70.7	178.2	-157.9	167.2	6.6	111.4	M1013 E1014 L1015 N1020 T1021	M1013-R1017 WeakPolarHBondContact O-CG 3.2Å; M1013-R1017 PolarHBondContact O-N 2.7Å; M1013-R1017 PolarHBondContact SD-NH2 2.85Å; M1013-R1017 VanDerWaalsContact SD-NH2 3.41Å; E1014-R1017 PolarHBondContact O-N 2.79Å; L1015-R1017 PolarHBondContact O-N 3.04Å; R1017-N1020 PolarHBondContact O-N 2.81Å; R1017-T1021 PolarHBondContact O-N 2.72Å; R1017-T1021 VanDerWaalsContact O-N 3.16Å; R1017-T1021 PolarHBondContact O-OG1 2.83Å
1018	R	91.2	Very high	90.4	Very high	27 Å²	27	51.6 Å²	51.6	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-50.3	177.9	-173.3	58	179	175.8	0.3	111.4	Y965 D970 L973 E1014 L1015 Q1016 N1020 T1021 L1022	Y965-R1018 HydrophobicContact CD1-CG 4.28Å; Y965-R1018 HydrophobicContact CD2-CG 4.12Å; Y965-R1018 HydrophobicContact CE1-CG 4.06Å; Y965-R1018 HydrophobicContact CE2-CB 4.29Å; Y965-R1018 HydrophobicContact CE2-CG 3.91Å; Y965-R1018 HydrophobicContact CG-CG 4.3Å; D970-R1018 VanDerWaalsContact CG-NH2 3.28Å; D970-R1018 IonicContact OD1-CZ 3.79Å; D970-R1018 IonicContact OD1-NE 2.72Å; D970-R1018 PolarHBondContact OD1-NE 3.25Å; D970-R1018 IonicContact OD1-NH2 3.22Å; D970-R1018 PolarHBondContact OD1-NH2 3.37Å; D970-R1018 VanDerWaalsContact OD1-NH2 3.14Å; D970-R1018 IonicContact OD2-CZ 2.86Å; D970-R1018 IonicContact OD2-NE 3.37Å; D970-R1018 IonicContact OD2-NH2 3.89Å; D970-R1018 PolarHBondContact OD2-NH2 2.98Å; L973-R1018 HydrophobicContact CD1-CG 4.03Å; E1014-R1018 PolarHBondContact O-N 3.44Å; L1015-R1018 PolarHBondContact O-N 3.22Å; Q1016-R1018 VanDerWaalsContact C-N 3.31Å; Q1016-R1018 PolarHBondContact O-N 3.46Å; R1018-N1020 VanDerWaalsContact C-N 3.32Å; R1018-N1020 PolarHBondContact O-N 3.38Å; R1018-T1021 WeakPolarHBondContact O-CB 3.09Å; R1018-T1021 PolarHBondContact O-N 3.48Å; R1018-L1022 HydrophobicContact CG-CD1 4.19Å; R1018-L1022 WeakPolarHBondContact O-CG 3.37Å; R1018-L1022 PolarHBondContact O-N 2.98Å
1019	C	91.2	Very high	90.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-56.3	-42.7	175.7	-71.2	0	0	0	0	112.4	L977 Y988 L991 L1015 Q1016 T1021 L1022 I1023	L977-C1019 HydrophobicContact CD2-CB 3.97Å; Y988-C1019 HydrophobicContact CE1-CB 3.9Å; L991-C1019 VanDerWaalsContact CD2-SG 3.59Å; L1015-C1019 WeakPolarHBondContact O-CB 2.97Å; L1015-C1019 PolarHBondContact O-N 3.2Å; L1015-C1019 PolarHBondContact O-SG 3.28Å; Q1016-C1019 PolarHBondContact O-N 2.92Å; C1019-T1021 VanDerWaalsContact C-N 3.28Å; C1019-T1021 PolarHBondContact O-N 2.98Å; C1019-L1022 PolarHBondContact O-N 2.98Å; C1019-I1023 WeakPolarHBondContact O-CB 3.24Å; C1019-I1023 VanDerWaalsContact O-CG1 3.25Å; C1019-I1023 WeakPolarHBondContact O-CG1 3.26Å; C1019-I1023 PolarHBondContact O-N 3.49Å
1020	N	90.1	Very high	89.7	Confident	72 Å²	72	48.8 Å²	48.8	39%	0.385	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-35.8	176.6	-73.3	-20.6	0	0	0	112.6	Q1016 R1017 R1018 S1024	Q1016-N1020 WeakPolarHBondContact O-CB 3.39Å; Q1016-N1020 PolarHBondContact O-N 3.25Å; Q1016-N1020 PolarHBondContact O-ND2 2.95Å; R1017-N1020 PolarHBondContact O-N 2.81Å; R1018-N1020 VanDerWaalsContact C-N 3.32Å; R1018-N1020 PolarHBondContact O-N 3.38Å; N1020-S1024 PolarHBondContact O-N 3.13Å; N1020-S1024 VanDerWaalsContact O-N 3.08Å
1021	T	89.3	Confident	89.3	Confident	59 Å²	59	50.8 Å²	50.8	36%	0.362	25%	0.254	S	S	.	.	H	α-helix	trans	-67.7	-44.3	175.2	-52.7	0	0	0	0	110.6	R1017 R1018 C1019 S1024 L1025	R1017-T1021 PolarHBondContact O-N 2.72Å; R1017-T1021 VanDerWaalsContact O-N 3.16Å; R1017-T1021 PolarHBondContact O-OG1 2.83Å; R1018-T1021 WeakPolarHBondContact O-CB 3.09Å; R1018-T1021 PolarHBondContact O-N 3.48Å; C1019-T1021 VanDerWaalsContact C-N 3.28Å; C1019-T1021 PolarHBondContact O-N 2.98Å; T1021-S1024 PolarHBondContact O-N 3.42Å; T1021-L1025 WeakPolarHBondContact O-CG 3.35Å; T1021-L1025 PolarHBondContact O-N 3.35Å
1022	L	90.2	Very high	88.7	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-40.9	177.8	-64.9	172.3	0	0	0	111.8	V955 Y957 D970 L973 V974 R1018 C1019 L1025 I1026	V955-L1022 HydrophobicContact CG1-CD2 4.27Å; Y957-L1022 HydrophobicContact CE1-CD2 4.33Å; D970-L1022 HydrophobicContact CB-CD1 3.98Å; D970-L1022 HydrophobicContact CB-CD2 4Å; L973-L1022 HydrophobicContact CB-CD1 4.46Å; V974-L1022 HydrophobicContact CG2-CB 3.94Å; V974-L1022 HydrophobicContact CG2-CD1 3.79Å; V974-L1022 HydrophobicContact CG2-CG 4.39Å; R1018-L1022 HydrophobicContact CG-CD1 4.19Å; R1018-L1022 WeakPolarHBondContact O-CG 3.37Å; R1018-L1022 PolarHBondContact O-N 2.98Å; C1019-L1022 PolarHBondContact O-N 2.98Å; L1022-L1025 PolarHBondContact O-N 2.98Å; L1022-I1026 VanDerWaalsContact O-CG1 3.25Å; L1022-I1026 WeakPolarHBondContact O-CG1 3.39Å; L1022-I1026 PolarHBondContact O-N 3.17Å
1023	I	89.6	Confident	88.1	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.051	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-48.3	174.3	-71	162.2	0	0	0	110.4	V935 L977 F982 C1019 L1025 I1026 E1027	V935-I1023 HydrophobicContact CB-CG2 4.31Å; V935-I1023 HydrophobicContact CG1-CD1 3.85Å; V935-I1023 HydrophobicContact CG1-CG1 4.14Å; V935-I1023 HydrophobicContact CG1-CG2 3.81Å; V935-I1023 HydrophobicContact CG2-CG2 3.74Å; L977-I1023 HydrophobicContact CD2-CD1 3.89Å; L977-I1023 HydrophobicContact CD2-CG1 4.39Å; F982-I1023 HydrophobicContact CD2-CD1 4.17Å; F982-I1023 HydrophobicContact CE2-CD1 3.77Å; C1019-I1023 WeakPolarHBondContact O-CB 3.24Å; C1019-I1023 VanDerWaalsContact O-CG1 3.25Å; C1019-I1023 WeakPolarHBondContact O-CG1 3.26Å; C1019-I1023 PolarHBondContact O-N 3.49Å; I1023-L1025 VanDerWaalsContact C-N 3.29Å; I1023-L1025 PolarHBondContact O-N 3.49Å; I1023-I1026 CarbonylContact O-C 3.56Å; I1023-I1026 PolarHBondContact O-N 3.09Å; I1023-I1026 VanDerWaalsContact O-N 3.08Å; I1023-E1027 HydrophobicContact CG2-CG 4.26Å; I1023-E1027 WeakPolarHBondContact O-CG 3.5Å; I1023-E1027 PolarHBondContact O-N 2.62Å
1024	S	88.8	Confident	87.4	Confident	72 Å²	72	51.3 Å²	51.3	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-35.7	179.5	-178.8	0	0	0	0	112.7	N1020 T1021 K1028	N1020-S1024 PolarHBondContact O-N 3.13Å; N1020-S1024 VanDerWaalsContact O-N 3.08Å; T1021-S1024 PolarHBondContact O-N 3.42Å; S1024-K1028 WeakPolarHBondContact O-CB 3.4Å; S1024-K1028 PolarHBondContact O-N 2.75Å; S1024-K1028 VanDerWaalsContact O-N 3.08Å
1025	L	88.9	Confident	86.8	Confident	19 Å²	19	54.8 Å²	54.8	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-41	172.8	-70.9	172.1	0	0	0	111.8	V955 Y957 N960 T1021 L1022 I1023 E1029	V955-L1025 HydrophobicContact CG1-CB 4.43Å; V955-L1025 HydrophobicContact CG1-CD1 4.34Å; Y957-L1025 HydrophobicContact CD1-CD1 4.26Å; N960-L1025 HydrophobicContact CB-CD2 4.39Å; T1021-L1025 WeakPolarHBondContact O-CG 3.35Å; T1021-L1025 PolarHBondContact O-N 3.35Å; L1022-L1025 PolarHBondContact O-N 2.98Å; I1023-L1025 VanDerWaalsContact C-N 3.29Å; I1023-L1025 PolarHBondContact O-N 3.49Å; L1025-E1029 WeakPolarHBondContact O-CB 3.32Å; L1025-E1029 PolarHBondContact O-N 3.35Å
1026	I	89	Confident	86	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-44	177.9	-67.9	165.5	0	0	0	111	A938 L939 K942 V974 L1022 I1023 K1028 E1029 M1030	A938-I1026 HydrophobicContact CB-CG2 4.42Å; L939-I1026 HydrophobicContact CD2-CD1 4.05Å; K942-I1026 HydrophobicContact CB-CG2 3.84Å; K942-I1026 HydrophobicContact CD-CG2 4.42Å; K942-I1026 HydrophobicContact CG-CD1 4.49Å; K942-I1026 HydrophobicContact CG-CG1 4.45Å; K942-I1026 HydrophobicContact CG-CG2 3.96Å; V974-I1026 HydrophobicContact CG1-CD1 3.71Å; V974-I1026 HydrophobicContact CG2-CD1 4.1Å; L1022-I1026 VanDerWaalsContact O-CG1 3.25Å; L1022-I1026 WeakPolarHBondContact O-CG1 3.39Å; L1022-I1026 PolarHBondContact O-N 3.17Å; I1023-I1026 CarbonylContact O-C 3.56Å; I1023-I1026 PolarHBondContact O-N 3.09Å; I1023-I1026 VanDerWaalsContact O-N 3.08Å; I1026-K1028 PolarHBondContact O-N 2.9Å; I1026-E1029 PolarHBondContact O-N 3.02Å; I1026-M1030 HydrophobicContact CG2-CG 4.33Å; I1026-M1030 WeakPolarHBondContact O-CB 3.47Å; I1026-M1030 VanDerWaalsContact O-CG 3.26Å; I1026-M1030 WeakPolarHBondContact O-CG 3.39Å; I1026-M1030 PolarHBondContact O-N 3.24Å
1027	E	88.4	Confident	85	Confident	49 Å²	49	66 Å²	66	23%	0.229	32%	0.317	C	S	.	.	H	α-helix	trans	-57.3	-49.1	175.1	-75	-177.8	137.4	0	0	110.3	S934 A938 I1023 E1029 M1030 D1031	S934-E1027 PolarHBondContact OG-OE1 2.67Å; S934-E1027 VanDerWaalsContact OG-OE1 3.09Å; A938-E1027 HydrophobicContact CB-CG 3.82Å; I1023-E1027 HydrophobicContact CG2-CG 4.26Å; I1023-E1027 WeakPolarHBondContact O-CG 3.5Å; I1023-E1027 PolarHBondContact O-N 2.62Å; E1027-E1029 PolarHBondContact O-N 2.76Å; E1027-M1030 PolarHBondContact O-N 3.39Å; E1027-M1030 VanDerWaalsContact O-N 3.14Å; E1027-D1031 PolarHBondContact O-N 3.38Å
1028	K	86.7	Confident	84.2	Confident	130 Å²	130	65.4 Å²	65.4	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-61.9	-40.4	176.7	-170.4	177.6	-179.6	179.8	0	113	S1024 I1026 M1030 D1031 D1032	S1024-K1028 WeakPolarHBondContact O-CB 3.4Å; S1024-K1028 PolarHBondContact O-N 2.75Å; S1024-K1028 VanDerWaalsContact O-N 3.08Å; I1026-K1028 PolarHBondContact O-N 2.9Å; K1028-M1030 VanDerWaalsContact C-N 3.3Å; K1028-M1030 PolarHBondContact O-N 3.28Å; K1028-D1031 PolarHBondContact O-N 2.97Å; K1028-D1032 WeakPolarHBondContact O-CB 3.33Å; K1028-D1032 VanDerWaalsContact O-CG 3.25Å; K1028-D1032 PolarHBondContact O-N 2.95Å
1029	E	86	Confident	83.2	Confident	23 Å²	23	67 Å²	67	11%	0.107	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-36.2	176.2	-171.7	-172.8	158.7	0	0	111.9	K942 Q956 L1025 I1026 E1027 A1033	K942-E1029 WeakPolarHBondContact CE-OE2 3.18Å; K942-E1029 IonicContact NZ-OE1 3.48Å; K942-E1029 PolarHBondContact NZ-OE1 3.17Å; K942-E1029 IonicContact NZ-OE2 2.69Å; K942-E1029 PolarHBondContact NZ-OE2 3.2Å; Q956-E1029 HydrophobicContact CG-CG 4.44Å; Q956-E1029 VanDerWaalsContact NE2-CD 3.31Å; Q956-E1029 PolarHBondContact NE2-OE1 3.35Å; L1025-E1029 WeakPolarHBondContact O-CB 3.32Å; L1025-E1029 PolarHBondContact O-N 3.35Å; I1026-E1029 PolarHBondContact O-N 3.02Å; E1027-E1029 PolarHBondContact O-N 2.76Å; E1029-A1033 VanDerWaalsContact O-CB 3.25Å; E1029-A1033 WeakPolarHBondContact O-CB 3.01Å; E1029-A1033 PolarHBondContact O-N 3.4Å
1030	M	82.2	Confident	81.6	Confident	24 Å²	24	69.4 Å²	69.4	12%	0.118	36%	0.363	C	S	.	.	H	α-helix	trans	-71.7	-42.4	177	-70.9	-57	-53.9	0	0	111.6	A941 K945 I1026 E1027 K1028 A1033 E1034	A941-M1030 HydrophobicContact CB-CE 3.54Å; A941-M1030 HydrophobicContact CB-SD 4.32Å; K945-M1030 PolarHBondContact NZ-SD 2.99Å; I1026-M1030 HydrophobicContact CG2-CG 4.33Å; I1026-M1030 WeakPolarHBondContact O-CB 3.47Å; I1026-M1030 VanDerWaalsContact O-CG 3.26Å; I1026-M1030 WeakPolarHBondContact O-CG 3.39Å; I1026-M1030 PolarHBondContact O-N 3.24Å; E1027-M1030 PolarHBondContact O-N 3.39Å; E1027-M1030 VanDerWaalsContact O-N 3.14Å; K1028-M1030 VanDerWaalsContact C-N 3.3Å; K1028-M1030 PolarHBondContact O-N 3.28Å; M1030-A1033 PolarHBondContact O-N 2.8Å; M1030-E1034 PolarHBondContact O-N 2.92Å
1031	D	81.8	Confident	80	Confident	96 Å²	96	76.3 Å²	76.3	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-48.5	174.5	-68.8	-21.3	0	0	0	111	E1027 K1028 A1033 E1034 E1035	E1027-D1031 PolarHBondContact O-N 3.38Å; K1028-D1031 PolarHBondContact O-N 2.97Å; D1031-A1033 VanDerWaalsContact C-N 3.26Å; D1031-A1033 PolarHBondContact O-N 3.31Å; D1031-E1034 PolarHBondContact O-N 2.9Å; D1031-E1035 WeakPolarHBondContact O-CG 3.44Å; D1031-E1035 PolarHBondContact O-N 3.46Å
1032	D	82.4	Confident	78.1	Confident	69 Å²	69	76.3 Å²	76.3	37%	0.369	40%	0.395	S	S	.	.	H	α-helix	trans	-61.3	-34.8	176.8	-73.5	-16	0	0	0	111.8	K1028 R1036	K1028-D1032 WeakPolarHBondContact O-CB 3.33Å; K1028-D1032 VanDerWaalsContact O-CG 3.25Å; K1028-D1032 PolarHBondContact O-N 2.95Å; D1032-R1036 WeakPolarHBondContact O-CB 3.29Å; D1032-R1036 VanDerWaalsContact O-CG 3.23Å; D1032-R1036 WeakPolarHBondContact O-CG 3.49Å; D1032-R1036 PolarHBondContact O-N 3.24Å
1033	A	77.2	Confident	76.2	Confident	32 Å²	32	87.3 Å²	87.3	26%	0.264	44%	0.436	S	S	.	.	H	α-helix	trans	-72.5	-41.4	177.3	0	0	0	0	0	112.3	E1029 M1030 D1031 R1036 E1037	E1029-A1033 VanDerWaalsContact O-CB 3.25Å; E1029-A1033 WeakPolarHBondContact O-CB 3.01Å; E1029-A1033 PolarHBondContact O-N 3.4Å; M1030-A1033 PolarHBondContact O-N 2.8Å; D1031-A1033 VanDerWaalsContact C-N 3.26Å; D1031-A1033 PolarHBondContact O-N 3.31Å; A1033-R1036 PolarHBondContact O-N 3.22Å; A1033-E1037 PolarHBondContact O-N 2.82Å
1034	E	76.6	Confident	73.9	Confident	95 Å²	95	90.3 Å²	90.3	44%	0.444	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-41.3	173.9	-77.3	-165.9	-174.2	0	0	111.7	M1030 D1031 R1036 E1037 K1038	M1030-E1034 PolarHBondContact O-N 2.92Å; D1031-E1034 PolarHBondContact O-N 2.9Å; E1034-R1036 VanDerWaalsContact C-N 3.35Å; E1034-E1037 PolarHBondContact O-N 3.33Å; E1034-K1038 WeakPolarHBondContact O-CB 3.23Å; E1034-K1038 VanDerWaalsContact O-CG 3.29Å; E1034-K1038 WeakPolarHBondContact O-CG 3.49Å; E1034-K1038 PolarHBondContact O-N 2.59Å; E1034-K1038 IonicContact OE2-NZ 3.48Å
1035	E	78.7	Confident	71.6	Confident	134 Å²	134	96.2 Å²	96.2	63%	0.626	49%	0.486	S	S	*	.	H	α-helix	trans	-63.3	-40.4	174.5	-73.8	-166.7	167	0	0	112	D1031 K1038 A1039	D1031-E1035 WeakPolarHBondContact O-CG 3.44Å; D1031-E1035 PolarHBondContact O-N 3.46Å; E1035-K1038 PolarHBondContact O-N 3.12Å; E1035-A1039 WeakPolarHBondContact O-CB 3.22Å; E1035-A1039 PolarHBondContact O-N 3.01Å
1036	R	76.4	Confident	69.2	Low	181 Å²	181	100.9 Å²	100.9	68%	0.683	52%	0.52	S	S	*	.	H	α-helix	trans	-66.8	-38.3	175.2	-76.1	175	-173.9	-174.8	5.7	112.9	D1032 A1033 E1034 A1039 G1040	D1032-R1036 WeakPolarHBondContact O-CB 3.29Å; D1032-R1036 VanDerWaalsContact O-CG 3.23Å; D1032-R1036 WeakPolarHBondContact O-CG 3.49Å; D1032-R1036 PolarHBondContact O-N 3.24Å; A1033-R1036 PolarHBondContact O-N 3.22Å; E1034-R1036 VanDerWaalsContact C-N 3.35Å; R1036-A1039 PolarHBondContact O-N 2.97Å; R1036-G1040 PolarHBondContact O-N 3.3Å
1037	E	69.9	Low	66.7	Low	132 Å²	132	111.6 Å²	111.6	62%	0.617	57%	0.567	S	S	*	*	H	α-helix	trans	-64.9	-41.8	173.4	-87.1	-163.3	151.7	0	0	111.8	A1033 E1034 A1039 G1040 R1041	A1033-E1037 PolarHBondContact O-N 2.82Å; E1034-E1037 PolarHBondContact O-N 3.33Å; E1037-A1039 VanDerWaalsContact C-N 3.35Å; E1037-G1040 PolarHBondContact O-N 2.86Å; E1037-R1041 WeakPolarHBondContact O-CB 3.43Å; E1037-R1041 WeakPolarHBondContact O-CG 3.18Å; E1037-R1041 PolarHBondContact O-N 2.98Å
1038	K	74.3	Confident	64.2	Low	145 Å²	145	112.6 Å²	112.6	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-61.9	-41.8	174.4	-72.1	168.5	-172.5	161.5	0	111.2	E1034 E1035	E1034-K1038 WeakPolarHBondContact O-CB 3.23Å; E1034-K1038 VanDerWaalsContact O-CG 3.29Å; E1034-K1038 WeakPolarHBondContact O-CG 3.49Å; E1034-K1038 PolarHBondContact O-N 2.59Å; E1034-K1038 IonicContact OE2-NZ 3.48Å; E1035-K1038 PolarHBondContact O-N 3.12Å
1039	A	70.1	Confident	61.9	Low	62 Å²	62	115.7 Å²	115.7	51%	0.512	60%	0.604	S	S	.	*	H	α-helix	trans	-73.1	-35.5	177.7	0	0	0	0	0	113.8	E1035 R1036 E1037 G1042 R1043	E1035-A1039 WeakPolarHBondContact O-CB 3.22Å; E1035-A1039 PolarHBondContact O-N 3.01Å; R1036-A1039 PolarHBondContact O-N 2.97Å; E1037-A1039 VanDerWaalsContact C-N 3.35Å; A1039-G1042 PolarHBondContact O-N 3.39Å; A1039-R1043 PolarHBondContact O-N 3.3Å
1040	G	57.7	Low	59.5	Low	51 Å²	51	123.8 Å²	123.8	53%	0.526	64%	0.642	S	S	.	*	H	α-helix	trans	-71	-36.3	179.2	0	0	0	0	0	113	R1036 E1037 G1042 R1043	R1036-G1040 PolarHBondContact O-N 3.3Å; E1037-G1040 PolarHBondContact O-N 2.86Å; G1040-G1042 PolarHBondContact O-N 3.45Å; G1040-R1043 PolarHBondContact O-N 2.92Å
1041	R	55.2	Low	57.4	Low	218 Å²	218	126.3 Å²	126.3	82%	0.823	67%	0.674	S	S	*	*	H	α-helix	trans	-65.4	-21	170.8	-76.5	178.1	163.2	177.2	-2.4	113	E1037	E1037-R1041 WeakPolarHBondContact O-CB 3.43Å; E1037-R1041 WeakPolarHBondContact O-CG 3.18Å; E1037-R1041 PolarHBondContact O-N 2.98Å
1042	G	51	Low	55.2	Low	58 Å²	58	131.2 Å²	131.2	60%	0.598	69%	0.691	S	S	*	*	H	α-helix	trans	-85.7	-16.4	176.3	0	0	0	0	0	115.8	A1039 G1040	A1039-G1042 PolarHBondContact O-N 3.39Å; G1040-G1042 PolarHBondContact O-N 3.45Å
1043	R	49.4	Very low	53.1	Low	233 Å²	233	139.6 Å²	139.6	88%	0.879	72%	0.717	S	S	*	*	S	Bend	trans	-98.9	-0.8	-171.2	-98.3	177	152.6	172.5	-6.3	115.9	A1039 G1040	A1039-R1043 PolarHBondContact O-N 3.3Å; G1040-R1043 PolarHBondContact O-N 2.92Å
1044	G	40.9	Very low	51.2	Low	72 Å²	72	146.8 Å²	146.8	74%	0.742	74%	0.742	S	S	*	*	S	Bend	trans	-93.1	2.4	179.6	0	0	0	0	0	116.3
1045	K	41.7	Very low	49.4	Very low	196 Å²	196	149.9 Å²	149.9	85%	0.852	76%	0.762	S	S	*	*	S	Bend	trans	-141.4	86.6	-178.6	-76.7	-177.8	176.7	177.2	0	111.1
1046	S	38.9	Very low	47.5	Very low	118 Å²	118	149.9 Å²	149.9	83%	0.825	77%	0.766	S	S	*	*			trans	161.6	97.6	143.9	60.4	0	0	0	0	111.9
1047	K	35.8	Very low	45.7	Very low	226 Å²	226	148.8 Å²	148.8	98%	0.983	77%	0.774	S	S	*	*			trans	-78.9	120.5	148.5	-85.9	-179.2	173	176.5	0	106.8
1048	G	36	Very low	44.1	Very low	70 Å²	70	147 Å²	147	72%	0.722	78%	0.776	S	S	*	*			trans	146.4	105.9	163.6	0	0	0	0	0	116.6
1049	K	38.1	Very low	42.4	Very low	195 Å²	195	146.1 Å²	146.1	85%	0.848	79%	0.788	S	S	*	*			trans	68	102.7	148.9	-78.4	177.5	171	176.9	0	120.8
1050	Q	36.4	Very low	40.9	Very low	192 Å²	192	147 Å²	147	90%	0.897	80%	0.803	S	S	*	*				51.1	129.9	119.7	-72.3	-179.7	-16.3	0	0	120.9
1051	G	36.4	Very low	39.8	Very low	77 Å²	77	156.9 Å²	156.9	79%	0.794	82%	0.824	S	S	*	*			trans	142.9	58.4	138.5	0	0	0	0	0	120.6
1052	K	37.1	Very low	38.9	Very low	200 Å²	200	150.3 Å²	150.3	87%	0.87	82%	0.824	S	S	*	*			trans	26.5	118.4	133.6	-139	178.4	-168.9	175.9	0	119
1053	R	37.5	Very low	38.2	Very low	244 Å²	244	159.9 Å²	159.9	92%	0.921	84%	0.842	S	S	*	*				173.6	140.1	107.9	-94.5	176.1	169.3	171.1	-3.1	113.9
1054	K	36.7	Very low	37.5	Very low	184 Å²	184	152.1 Å²	152.1	80%	0.8	84%	0.835	S	S	*	*			trans	-76.4	156.9	174.5	-72.9	174.5	160.6	-171.7	0	112
1055	N	40	Very low	37.3	Very low	160 Å²	160	158.3 Å²	158.3	86%	0.856	84%	0.841	S	S	*	*				-163.6	141.2	114.1	-111.6	10.2	0	0	0	113.4
1056	D	37.5	Very low	37	Very low	133 Å²	133	160 Å²	160	71%	0.711	84%	0.843	S	S	*	*			trans	-64.1	155.5	174.5	-63.4	-61.6	0	0	0	112.5
1057	D	40	Very low	37	Very low	159 Å²	159	161.9 Å²	161.9	85%	0.85	84%	0.842	S	S	*	*				-165.4	159.8	109	-131.6	-25.2	0	0	0	114
1058	S	35.4	Very low	37.1	Very low	94 Å²	94	162 Å²	162	66%	0.657	84%	0.836	S	S	*	*			trans	-115.2	170.7	-158.4	59.4	0	0	0	0	113.1
1059	S	39	Very low	37.1	Very low	127 Å²	127	169.1 Å²	169.1	89%	0.888	87%	0.865	S	S	*	*			trans	99.2	137.2	156.9	83.5	0	0	0	0	119.6
1060	G	37.4	Very low	37.1	Very low	79 Å²	79	167.9 Å²	167.9	81%	0.814	87%	0.866	S	S	*	*			trans	133.1	92.1	151.6	0	0	0	0	0	117.7
1061	R	35.2	Very low	37.1	Very low	260 Å²	260	166.6 Å²	166.6	98%	0.981	86%	0.864	S	S	*	*			trans	-55.6	146.8	167.2	-78.4	167.5	156.9	167.8	-6.6	113.1
1062	G	36.8	Very low	37.2	Very low	79 Å²	79	171.6 Å²	171.6	81%	0.814	87%	0.868	S	S	*	*			trans	172.5	112	160.1	0	0	0	0	0	115.7
1063	R	35.2	Very low	37.2	Very low	259 Å²	259	169.9 Å²	169.9	98%	0.977	87%	0.868	S	S	*	*			trans	-53.3	142.8	174.1	-102.1	167.1	151.8	173	-7.1	113.7
1064	G	35.7	Very low	37.1	Very low	71 Å²	71	165.3 Å²	165.3	73%	0.732	87%	0.865	S	S	*	*			trans	119.1	130.1	130.6	0	0	0	0	0	118.2
1065	K	36.8	Very low	37.2	Very low	202 Å²	202	164 Å²	164	88%	0.878	87%	0.869	S	S	*	*			trans	86.2	111.1	159.5	-73.4	178.7	175.7	174.3	0	118.9
1066	R	34.3	Very low	37	Very low	232 Å²	232	164.3 Å²	164.3	88%	0.875	87%	0.87	S	S	*	*				41.7	128.6	126	-78.6	-179.4	169.5	173.5	-2.7	117.2
1067	I	39	Very low	36.9	Very low	157 Å²	157	166.7 Å²	166.7	81%	0.805	88%	0.882	S	S	*	*				-170.6	125.2	119.8	-90.1	146.7	0	0	0	110.5
1068	R	38	Very low	36.7	Very low	228 Å²	228	167.3 Å²	167.3	86%	0.86	89%	0.885	S	S	*	*			trans	30.3	121.4	142.6	-57.3	173.4	168.9	171	-5	120.1
1069	V	37.4	Very low	36.8	Very low	220 Å²	220	174 Å²	174	100%	1.333	91%	0.905	S	S	*	*				-135.7	0	87.7	174	0	0	0	0	108.3

Retrieved 1,069 of 1,069 residues in 220.9 ms (Link to these results)

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