A0A3Q0KLA5_SCHMA Loading...

Putative chromodomain helicase DNA binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KLA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,958 aa.

						>A0A3Q0KLA5_SCHMA|A0A3Q0KLA5
MESDPVSTNEPCDVLMQSNITMNVNDDENKTESDTLAPVQQVYYSIHEPPDKLNNDTSLHEKEILESSNQQEDGGLSGDIDKPDQTHSYFPEDDDSSTLQHKNLRPRRSIRKRFVEIQEDEWEKLLNDYVSLHEHDPGQYLEIEESSINTWIAVEQILGNRKLKSSKITKAISEAVSSFSSNNKEIVEQEYFVKFIDQSYWHCAWMSGAVLFTLNPSKARAYFRTKQKTSNQNLNTNSPKLSPNHECSQMEDGDHDKGPQIKDSINDDTTSKCVNTGSKLTTLVSHSSEEESDDEDNLSKWSKDAELDVNEWIANYPKRAGSRRRYLLRWGVESHTLIPERVLAIGETFTPERFKKVEGIDNKDKSNRPPNKMKWPEYREVLVKWLHLPYIHATWETVESDILSLNSHGVDHKSQKSVYKVLDPCGRNLLPRLVRRHIIRLADTYCSRVATMLCDAYGNQLTPGRKNRSTANWKSKWIGEQPSYLSPVHRRVLHPYQIEGARWLWHAYHNNINAILADEMGLGKTVQVIALLYSLWKEENDYGPFIIMTPLSTLQNWDREFSIWAPDFYIVVYSGDKQVRAMLREYEFRLRNAGGIPAFHVLITSHELACIDRSFLKSFDWSVLVVDEAHRLKNKQSRFFRYTSQYHTKFKILLTGTPLQNSLEELFHLLNFVEPKKFTDFRALSEQWAEMPKTDRIKHLHDLLNRHLLRRLKCDVIQDLPKKTEIVVPVDMTLLQRRLYKYILTSNYEELRCGNLMNSIVHLQKVCNHPYLMQIGDSIAPRLNLNDETNGPYEPKALVQVSSKLVVLMELLRGLFVDDHRVLIFSRFTMMLDLLEQVMINARYKYVRIDGRVRGPLRQVTIDRFNAPDSEYFIFLLSTRAGGEGINLASADTVVLYDSDWNPQWDLQALSRAHRIGQSKHVVIYRFITRHSIEEKISQVARRKLALTQLIVDHNQKYPKAPEISSSPASNQHDSTQDNNSPKTDSNVDNSRINQDCISRSDQDTNLVESTQRQSNTKSVSRLTRSEMDELLRSGVEALFASDDPYTTKDLYDAARVDEIESKDTYQRIVYDSQAISKLLDRSKMMADSEETVSAFNEYLSGFRVAHFDETDAESVDGFVTKDSEEQANRMEISEENPESVNPTMGTDGTYSESIGYADFWDRLLHERYERLLNTEVEATSKSRRNHRSMHNPSVEDTVGDKFTDLNNDGIISKELKLEKDDGNSTDSYISDKEKLFDRTKAVREVLKLRLSRQDKRKVFNLYHEFEDEKLELLVAELQNKYGNIGHQKPKARPCLSKRMSASVKRARSSRVTPKRPYHRNAFGKSSTYHVTDFEDSLEECSMPDITSDDDPPYLPSDETDSAEPVKVKDSLASSRTRRSSTHAFLPTSEAVVDSSDSEEFLLWESSANVVNPLCWYPTADTYAKWRARVSDLGQHITWHRDELFIYNFGPNDRQLFNNAVMRFGLPPPGIVPPQDWLPPALYYKSQFHLFGYVCLYMKHLYDDPNRLDESEESWSDGLPKEHLCVPAVLSRIAVMALIRNKVLQYEDVNGPTSISTDIQSPTFKFAIHEGGLTLLRSVWNEEYAKISNICQTIQSHSEIARNSELIIKTQRIWHSRHDYWLLAGILVHGYSRWADILADPRFRILNFGLSGVLKDMHKLMNTDLSSHYTSSASRQTPSESTEAQAFLLDRLKLLEQALIVEQTLYEVAEAALSSTMPQNQVDPVRIRNLAICLSNKLIQTGARKRIALPKDPRAREATRTVVQNLQELLEDMYADLPGMPASVTFTGDDDSNPKGTFNIISSGNTNNISIINSGRSYHLPKTIAEITEVNLCDDDDIDNTGCSRHEDDNSQTPADKISRPGMEKFHPDSLMPRSGSLKPNGSPQFEKGIFIELSDDEDVSSCIPDTDSTADQQANRNYDETNIQSNIGADNDNDINEHCALPNLPNSRDDDLIHPNE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	29.4	Very low	230 Å²	230	149.6 Å²	149.6	100%	1.133	85%	0.847	S	S	*	*				0	136	0	-65.9	171.5	176.6	0	0	108.9
2	E	24.8	Very low	29.2	Very low	176 Å²	176	147.4 Å²	147.4	82%	0.822	85%	0.846	S	S	*	*			cis	-173	105.3	-28.1	-123.1	166.7	-143.5	0	0	108.2
3	S	34.7	Very low	28.9	Very low	123 Å²	123	148.9 Å²	148.9	86%	0.86	85%	0.849	S	S	*	*			trans	-174.3	118.6	159.5	27.7	0	0	0	0	109.3
4	D	28.1	Very low	29	Very low	155 Å²	155	146.9 Å²	146.9	83%	0.829	84%	0.841	S	S	*	*			trans	-73.8	163.1	-166.5	-81.8	-63	0	0	0	115.7
5	P	32.5	Very low	28.8	Very low	121 Å²	121	145.8 Å²	145.8	79%	0.786	83%	0.83	S	S	*	*			trans	-76.1	154.7	-176	31.5	-37.4	0	0	0	113.7
6	V	31.6	Very low	28.9	Very low	139 Å²	139	148.3 Å²	148.3	84%	0.842	84%	0.836	S	S	*	*			trans	-108	114.9	168.7	178.9	0	0	0	0	109.9
7	S	25.8	Very low	28.7	Very low	108 Å²	108	148 Å²	148	76%	0.755	83%	0.826	S	S	*	*			trans	-80.7	131.7	176.8	56.4	0	0	0	0	112.5
8	T	30.2	Very low	28.7	Very low	136 Å²	136	146.1 Å²	146.1	83%	0.834	82%	0.824	S	S	*	*			trans	-140.3	123.8	152.2	42.7	0	0	0	0	109.6
9	N	25.1	Very low	28.5	Very low	154 Å²	154	145.3 Å²	145.3	82%	0.824	82%	0.818	S	S	*	*			trans	-81	140	166.2	-57.2	-42.9	0	0	0	108.3
10	E	28.2	Very low	28.4	Very low	189 Å²	189	145.6 Å²	145.6	88%	0.883	82%	0.816	S	S	*	*				175.7	156.1	114.8	-95.1	176.8	-176.9	0	0	111.6
11	P	33.7	Very low	28.2	Very low	115 Å²	115	144.6 Å²	144.6	75%	0.747	81%	0.813	S	S	*	*			trans	-97.1	163.1	-169.8	38.4	-35.7	0	0	0	113.8
12	C	26.4	Very low	28.1	Very low	123 Å²	123	141.7 Å²	141.7	83%	0.831	80%	0.799	S	S	*	*			trans	-156.9	119.9	161.7	-98.1	0	0	0	0	112.9
13	D	25.7	Very low	28.1	Very low	167 Å²	167	140 Å²	140	89%	0.893	80%	0.795	S	S	*	*			trans	-72.7	130.9	156.3	-70.8	-70.1	0	0	0	110.1
14	V	29.6	Very low	27.9	Very low	121 Å²	121	140.9 Å²	140.9	73%	0.733	80%	0.795	S	S	*	*			trans	-141.2	103.2	162.8	-173.9	0	0	0	0	111.2
15	L	27	Very low	27.7	Very low	130 Å²	130	138.6 Å²	138.6	68%	0.681	78%	0.783	S	S	*	*			trans	23.5	134.2	132.4	-59.1	168.3	0	0	0	117.8
16	M	29.7	Very low	27.5	Very low	186 Å²	186	139.2 Å²	139.2	92%	0.916	78%	0.78	S	S	*	*				-134.3	120.5	78.6	-84.4	-72.6	179.5	0	0	114.2
17	Q	25.6	Very low	27.3	Very low	143 Å²	143	139.4 Å²	139.4	67%	0.668	78%	0.776	S	S	*	*			trans	-85.5	141.5	152.7	-67	176.3	-15.5	0	0	109
18	S	28.4	Very low	27.3	Very low	114 Å²	114	142 Å²	142	80%	0.797	78%	0.776	S	S	*	*			trans	-129.1	73.7	165.1	64	0	0	0	0	110.3	I20	S18-I20 PolarHBondContact O-N 2.74Å
19	N	24.7	Very low	27	Very low	131 Å²	131	141.4 Å²	141.4	70%	0.701	77%	0.768	S	S	*	*			trans	-65.7	119	170.9	-72.3	-26.3	0	0	0	109.6
20	I	28	Very low	27.1	Very low	151 Å²	151	142.7 Å²	142.7	77%	0.774	77%	0.766	S	S	*	*			trans	-121.1	85.6	157.9	-59.2	-177.7	0	0	0	107.2	S18	S18-I20 PolarHBondContact O-N 2.74Å
21	T	23.6	Very low	26.9	Very low	124 Å²	124	138.8 Å²	138.8	76%	0.761	76%	0.755	S	S	*	*			trans	-74.9	125.6	163.4	47.8	0	0	0	0	109.1
22	M	27.8	Very low	26.5	Very low	170 Å²	170	141.9 Å²	141.9	84%	0.837	76%	0.76	S	S	*	*			trans	-124.9	111.5	157.8	-77.5	-166.2	167.8	0	0	108.8
23	N	24.2	Very low	26.4	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	75%	0.749	S	S	*	*			trans	-69	127.8	163.8	-71.7	6.2	0	0	0	108.5
24	V	29.6	Very low	26.4	Very low	142 Å²	142	138.2 Å²	138.2	86%	0.861	74%	0.739	S	S	*	*			trans	-129.8	133.1	138.4	-176.1	0	0	0	0	105.2
25	N	25.4	Very low	26.3	Very low	108 Å²	108	137.7 Å²	137.7	58%	0.578	74%	0.736	S	S	*	*			trans	-94.1	-177	-176.2	-54.4	-11.7	0	0	0	111
26	D	27	Very low	26.3	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	75%	0.745	S	S	*	*			trans	77	119.3	147.2	-51.3	-30.4	0	0	0	118.9
27	D	26.8	Very low	26.1	Very low	143 Å²	143	134.2 Å²	134.2	77%	0.765	73%	0.732	S	S	*	*			trans	74.8	113.3	135.8	-58.4	-11.7	0	0	0	123
28	E	25.8	Very low	26.3	Very low	161 Å²	161	131.9 Å²	131.9	75%	0.752	73%	0.729	S	S	*	*				66.4	115.1	127.6	-70	-149	179.1	0	0	122.5
29	N	24.9	Very low	26.2	Very low	125 Å²	125	132.9 Å²	132.9	67%	0.668	73%	0.73	S	S	*	*				79.2	143.9	127.1	-77.7	-48.1	0	0	0	121.5
30	K	26.7	Very low	26.2	Very low	181 Å²	181	130.9 Å²	130.9	79%	0.787	72%	0.716	S	S	*	*			trans	80.4	103.4	153	-78.7	172.8	-178	174.2	0	120.8
31	T	24.5	Very low	26.1	Very low	106 Å²	106	132.8 Å²	132.8	65%	0.65	72%	0.722	S	S	*	*				63.7	135.4	123	56.6	0	0	0	0	120.9
32	E	24.7	Very low	26.1	Very low	180 Å²	180	130 Å²	130	84%	0.841	71%	0.705	S	S	*	*			trans	70.6	139.5	150.8	-70.6	162	-147.9	0	0	116.5
33	S	25.2	Very low	25.9	Very low	86 Å²	86	130.5 Å²	130.5	60%	0.601	70%	0.699	S	S	*	*			cis	-163	-175.5	-8.1	50.7	0	0	0	0	110.4
34	D	25.9	Very low	25.9	Very low	128 Å²	128	131.8 Å²	131.8	68%	0.684	69%	0.694	S	S	*	*			trans	79.3	104.8	142.5	-69.4	-39.2	0	0	0	122.2
35	T	26.6	Very low	25.5	Very low	110 Å²	110	127.4 Å²	127.4	68%	0.675	67%	0.67	S	S	*	*				91.8	110.7	127	61.7	0	0	0	0	118.5
36	L	26.5	Very low	25.5	Very low	164 Å²	164	127.6 Å²	127.6	86%	0.859	67%	0.67	S	S	*	*				72.5	140.9	71	-66.9	178.8	0	0	0	113.3
37	A	27.1	Very low	25.4	Very low	78 Å²	78	127.1 Å²	127.1	65%	0.645	66%	0.663	S	S	*	*			cis	-160	-106.7	-23.5	0	0	0	0	0	112.1
38	P	29	Very low	25.3	Very low	94 Å²	94	128.4 Å²	128.4	61%	0.61	67%	0.665	S	S	*	*				-122.4	151.6	-116	32.2	-16.3	0	0	0	114.9
39	V	26.7	Very low	25.2	Very low	136 Å²	136	123.6 Å²	123.6	82%	0.824	65%	0.647	S	S	*	*			trans	-135.4	80.4	165.2	-167.4	0	0	0	0	111.5
40	Q	24.7	Very low	25.1	Very low	88 Å²	88	123 Å²	123	41%	0.411	65%	0.65	S	S	.	*			trans	19.3	111.9	132.9	-62.8	122.8	38.3	0	0	117.8	V42 L241	Q40-V42 HydrophobicContact CB-CG2 4.08Å; Q40-V42 HydrophobicContact CG-CG2 4.44Å; Q40-L241 HydrophobicContact CG-CB 4.37Å; Q40-L241 HydrophobicContact CG-CD1 4.16Å
41	Q	25.4	Very low	25.1	Very low	191 Å²	191	122.4 Å²	122.4	89%	0.893	66%	0.655	S	S	*	*			trans	-97.5	119.1	137.4	-80	-173.2	-31.2	0	0	107.7
42	V	24.2	Very low	25.1	Very low	67 Å²	67	124 Å²	124	41%	0.406	65%	0.653	S	S	.	*			trans	-101.7	138.7	-178	166.7	0	0	0	0	109.4	Q40 K240	Q40-V42 HydrophobicContact CB-CG2 4.08Å; Q40-V42 HydrophobicContact CG-CG2 4.44Å; V42-K240 VanDerWaalsContact CG1-O 3.31Å; V42-K240 WeakPolarHBondContact CG1-O 3.47Å; V42-K240 WeakPolarHBondContact CG2-O 3.49Å
43	Y	23	Very low	25.1	Very low	180 Å²	180	122.8 Å²	122.8	71%	0.706	65%	0.652	S	S	*	*			trans	-15.5	122.5	167.8	-75	-98.6	0	0	0	116.4
44	Y	24.2	Very low	25	Very low	166 Å²	166	122.2 Å²	122.2	65%	0.651	64%	0.642	S	S	*	*				-127.4	113.4	129.2	-96.4	-82.4	0	0	0	108.9	I46 T229	Y44-I46 PolarHBondContact O-N 3.32Å; Y44-T229 HydrophobicContact CD1-CG2 4.28Å
45	S	22.4	Very low	25	Very low	50 Å²	50	118 Å²	118	35%	0.35	62%	0.619	S	S	.	*			trans	-72.8	78.2	171.1	-58.9	0	0	0	0	109.6	H47 T229 Q232	S45-H47 VanDerWaalsContact C-N 3.25Å; S45-H47 PolarHBondContact O-N 3.18Å; S45-T229 WeakPolarHBondContact O-CG2 3.37Å; S45-Q232 PolarHBondContact O-OE1 2.79Å
46	I	24.1	Very low	24.8	Very low	111 Å²	111	117.2 Å²	117.2	57%	0.569	61%	0.611	S	S	*	*			trans	-74.7	88.6	168.6	-58.6	179.5	0	0	0	107.3	Y44 E48 T225	Y44-I46 PolarHBondContact O-N 3.32Å; I46-E48 PolarHBondContact O-N 2.84Å; I46-T225 HydrophobicContact CG2-CG2 4.39Å
47	H	24.5	Very low	24.7	Very low	124 Å²	124	115.8 Å²	115.8	57%	0.574	61%	0.609	S	S	*	*			trans	-61.5	102.9	154.2	-86.6	-101.8	0	0	0	107.7	S45 Q232	S45-H47 VanDerWaalsContact C-N 3.25Å; S45-H47 PolarHBondContact O-N 3.18Å; H47-Q232 PolarHBondContact CD2-NE2 3.05Å; H47-Q232 PolarHBondContact CD2-OE1 3.33Å; H47-Q232 PolarHBondContact NE2-NE2 2.95Å
48	E	24.8	Very low	24.6	Very low	171 Å²	171	115.6 Å²	115.6	80%	0.799	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-56.7	127	164.9	-67.2	-174.6	139.5	0	0	108.4	I46	I46-E48 PolarHBondContact O-N 2.84Å
49	P	24	Very low	24.3	Very low	59 Å²	59	118.4 Å²	118.4	38%	0.383	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-67.1	151.2	167.4	30.8	-33.3	0	0	0	109.4	D51	P49-D51 PolarHBondContact O-N 2.89Å
50	P	24	Very low	24.2	Very low	113 Å²	113	119.5 Å²	119.5	73%	0.734	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-69.3	125.5	176.5	28.5	-33.7	0	0	0	110.5	K52	P50-K52 VanDerWaalsContact C-N 3.26Å; P50-K52 PolarHBondContact O-N 2.92Å
51	D	25.2	Very low	24.2	Very low	168 Å²	168	122.3 Å²	122.3	90%	0.898	62%	0.622	S	S	*	*			trans	-69	85.3	165.7	-81.1	-31.8	0	0	0	109.8	P49	P49-D51 PolarHBondContact O-N 2.89Å
52	K	24.8	Very low	24.2	Very low	139 Å²	139	120.8 Å²	120.8	60%	0.604	61%	0.612	S	S	*	*			trans	-105.4	98.9	160.9	-87.5	-163	169.7	-163.8	0	108.9	P50	P50-K52 VanDerWaalsContact C-N 3.26Å; P50-K52 PolarHBondContact O-N 2.92Å
53	L	26.2	Very low	24.2	Very low	156 Å²	156	125.3 Å²	125.3	82%	0.817	63%	0.629	S	S	*	*			trans	-153.9	83.7	169.4	-109.5	167.9	0	0	0	110.7
54	N	23.2	Very low	24.3	Very low	73 Å²	73	123.6 Å²	123.6	39%	0.39	63%	0.63	S	S	.	*			trans	-97.3	-171.8	135.5	-54	-2.8	0	0	0	107	S1817 H1819	N54-S1817 PolarHBondContact ND2-O 2.67Å; N54-H1819 HydrophobicContact CB-CB 3.85Å; N54-H1819 PolarHBondContact ND2-CD2 3.04Å
55	N	24	Very low	24.4	Very low	39 Å²	39	123.2 Å²	123.2	21%	0.209	64%	0.639	C	S	.	*			trans	84.2	103	170.2	-68.5	28.2	0	0	0	116.3	Y1818 H1819	N55-Y1818 WeakPolarHBondContact ND2-CD1 3.38Å; N55-Y1818 VanDerWaalsContact OD1-CA 3.28Å; N55-Y1818 WeakPolarHBondContact OD1-CA 3.29Å; N55-Y1818 WeakPolarHBondContact OD1-CB 3.46Å; N55-H1819 PolarHBondContact ND2-O 3.07Å; N55-H1819 PolarHBondContact OD1-N 3.33Å; N55-H1819 PolarHBondContact OD1-O 3.42Å
56	D	23.7	Very low	24.4	Very low	94 Å²	94	128.7 Å²	128.7	50%	0.503	66%	0.659	S	S	.	*			trans	66.9	137.3	141.1	-49.6	-60	0	0	0	118.1	Y1818	D56-Y1818 WeakPolarHBondContact OD1-CE1 3.47Å; D56-Y1818 PolarHBondContact OD1-OH 2.9Å; D56-Y1818 WeakPolarHBondContact OD2-CE1 3.5Å
57	T	24.6	Very low	24.4	Very low	134 Å²	134	128.4 Å²	128.4	82%	0.822	67%	0.666	S	S	*	*			cis	-127.8	148.1	32	34.1	0	0	0	0	115.5
58	S	23.5	Very low	24.4	Very low	75 Å²	75	127.1 Å²	127.1	52%	0.524	67%	0.671	S	S	.	*			trans	-82.7	132.5	151.6	50	0	0	0	0	110.2
59	L	23.4	Very low	24.4	Very low	152 Å²	152	122.4 Å²	122.4	80%	0.796	65%	0.652	S	S	*	*			trans	-150.2	161.7	150.5	-105.7	172.4	0	0	0	109.3
60	H	24.9	Very low	24.5	Very low	160 Å²	160	123 Å²	123	74%	0.741	65%	0.649	S	S	*	*			trans	-50.4	158.6	-174.5	-55	-66.4	0	0	0	114.9
61	E	24.5	Very low	24.5	Very low	147 Å²	147	122.8 Å²	122.8	69%	0.687	64%	0.639	S	S	*	*			cis	-137.4	148.8	31	-76.2	-175.1	119.2	0	0	115.7
62	K	25.7	Very low	24.5	Very low	158 Å²	158	122 Å²	122	69%	0.687	63%	0.63	S	S	*	*				31.7	144.2	120.8	-38.6	166.1	-176.5	162.2	0	118.3
63	E	23.9	Very low	24.5	Very low	162 Å²	162	122.1 Å²	122.1	76%	0.757	64%	0.637	S	S	*	*			cis	-141.4	136	26.8	-85.1	-167.1	149.3	0	0	115
64	I	25.4	Very low	24.4	Very low	145 Å²	145	115.9 Å²	115.9	74%	0.744	61%	0.61	S	S	*	*				80.6	135.1	125.4	-63.4	171.9	0	0	0	121.9
65	L	24.8	Very low	24.5	Very low	157 Å²	157	115.2 Å²	115.2	82%	0.822	62%	0.62	S	S	*	*			trans	-48.7	153.9	172.6	-103.8	66.5	0	0	0	116.9
66	E	23.1	Very low	24.7	Very low	166 Å²	166	118 Å²	118	78%	0.776	64%	0.635	S	S	*	*			trans	-79.2	173.2	155.9	-57.2	175	112.3	0	0	112.7
67	S	24.7	Very low	24.8	Very low	104 Å²	104	117.7 Å²	117.7	73%	0.727	64%	0.64	S	S	*	*			trans	105.2	107	153.7	76.6	0	0	0	0	122.3
68	S	23.9	Very low	25	Very low	97 Å²	97	114.7 Å²	114.7	68%	0.678	64%	0.636	S	S	*	*			trans	73.6	143.8	132.4	72.5	0	0	0	0	124.6	S1371	S68-S1371 CarbonylContact C-O 3.59Å
69	N	24.2	Very low	25.3	Very low	72 Å²	72	118.1 Å²	118.1	39%	0.385	65%	0.649	S	S	.	*			trans	155.6	32.3	145.5	-61	29.3	0	0	0	121.6	D1370 S1371 L1372	N69-D1370 PolarHBondContact OD1-O 3.31Å; N69-S1371 CarbonylContact C-O 3.53Å; N69-S1371 WeakPolarHBondContact CA-O 3.31Å; N69-S1371 PolarHBondContact N-O 3.22Å; N69-L1372 CarbonylContact C-O 3.55Å
70	Q	26.1	Very low	25.6	Very low	72 Å²	72	118.1 Å²	118.1	34%	0.336	65%	0.648	S	S	.	*			trans	63	131.5	156.1	-141.6	128.7	94.7	0	0	126	K1369 D1370 S1371	Q70-K1369 VanDerWaalsContact NE2-C 3.32Å; Q70-K1369 PolarHBondContact NE2-O 3.38Å; Q70-D1370 VanDerWaalsContact CA-O 3.29Å; Q70-D1370 WeakPolarHBondContact CA-O 3.45Å; Q70-D1370 PolarHBondContact N-O 3.19Å; Q70-D1370 PolarHBondContact NE2-O 2.69Å; Q70-S1371 WeakPolarHBondContact CA-OG 3.43Å; Q70-S1371 VanDerWaalsContact N-C 3.3Å; Q70-S1371 PolarHBondContact N-O 3.2Å
71	Q	25.2	Very low	25.8	Very low	109 Å²	109	115.5 Å²	115.5	51%	0.509	64%	0.639	S	S	.	*			trans	65.6	142.6	146.1	-89.5	167.8	-92.3	0	0	126.5	S1371	Q71-S1371 PolarHBondContact N-OG 3.32Å
72	E	24	Very low	26.1	Very low	152 Å²	152	116.9 Å²	116.9	71%	0.71	64%	0.643	S	S	*	*			trans	66.6	147.2	143.3	-82.3	159.9	-145.7	0	0	122.1
73	D	25	Very low	26.6	Very low	140 Å²	140	113.9 Å²	113.9	75%	0.749	64%	0.64	S	S	*	*			cis	-159.9	162.9	-7.6	-158.6	3.7	0	0	0	113.1
74	G	25.1	Very low	26.7	Very low	26 Å²	26	112.4 Å²	112.4	27%	0.268	64%	0.637	S	S	.	*			trans	77.4	103.3	148.1	0	0	0	0	0	124.8	P1868 D1869	G74-P1868 CarbonylContact O-C 3.59Å; G74-P1868 WeakPolarHBondContact O-CA 3.48Å; G74-D1869 PolarHBondContact O-N 3.39Å
75	G	25.8	Very low	26.9	Very low	58 Å²	58	114 Å²	114	60%	0.598	64%	0.641	S	S	*	*			trans	52.7	-178.7	146.7	0	0	0	0	0	121.4	H1867 P1868	G75-H1867 VanDerWaalsContact O-CA 3.3Å; G75-H1867 WeakPolarHBondContact O-CA 3.07Å; G75-P1868 CarbonylContact C-O 3.57Å; G75-P1868 WeakPolarHBondContact CA-O 3.18Å
76	L	26.6	Very low	26.9	Very low	98 Å²	98	111.4 Å²	111.4	51%	0.513	63%	0.632	S	S	.	*			cis	-157.6	165	-1.8	-120.6	-180	0	0	0	110.4	F1866 H1867 P1868	L76-F1866 CarbonylContact O-C 3.51Å; L76-H1867 WeakPolarHBondContact CB-O 3.39Å; L76-H1867 PolarHBondContact O-N 2.78Å; L76-P1868 WeakPolarHBondContact CB-O 3.4Å; L76-P1868 VanDerWaalsContact CD1-O 3.32Å; L76-P1868 WeakPolarHBondContact CD1-O 3.32Å; L76-P1868 WeakPolarHBondContact CG-O 3.4Å
77	S	26.2	Very low	27.2	Very low	87 Å²	87	112 Å²	112	61%	0.608	63%	0.634	S	S	*	*			trans	14.4	140.6	156.2	61.5	0	0	0	0	123.6
78	G	28.3	Very low	27.1	Very low	72 Å²	72	111.3 Å²	111.3	74%	0.742	63%	0.63	S	S	*	*			trans	153.8	42.5	159.5	0	0	0	0	0	116.7
79	D	31	Very low	27.2	Very low	147 Å²	147	116.3 Å²	116.3	79%	0.786	64%	0.635	S	S	*	*				69.8	157.9	91.2	-104	-42.7	0	0	0	116.7
80	I	29.3	Very low	27.3	Very low	151 Å²	151	121.4 Å²	121.4	77%	0.774	65%	0.654	S	S	*	*			trans	74.6	130	176.2	-51.1	166.4	0	0	0	115.1
81	D	28.6	Very low	27.5	Very low	105 Å²	105	122.4 Å²	122.4	56%	0.561	67%	0.667	S	S	*	*			cis	-164.6	134.7	-25.1	-108.7	-41.9	0	0	0	106.8
82	K	31.6	Very low	27.5	Very low	177 Å²	177	124.6 Å²	124.6	77%	0.77	68%	0.677	S	S	*	*				60.3	156.1	95.2	-73.3	-162.5	-155.1	84	0	117.4
83	P	35.1	Very low	27.5	Very low	95 Å²	95	123.6 Å²	123.6	62%	0.617	68%	0.676	S	S	*	*			cis	-147.6	-169.1	-34.2	43.3	-25.1	0	0	0	115.2
84	D	25.8	Very low	27.4	Very low	131 Å²	131	123.3 Å²	123.3	70%	0.701	68%	0.675	S	S	*	*			trans	56.1	123.9	146.3	-55.9	-29.5	0	0	0	123.7
85	Q	30.1	Very low	27.4	Very low	178 Å²	178	128 Å²	128	83%	0.832	69%	0.694	S	S	*	*				171.6	96.7	106.9	-90.8	173.7	50.7	0	0	110.1
86	T	24.9	Very low	27.4	Very low	102 Å²	102	130.4 Å²	130.4	63%	0.626	70%	0.702	S	S	*	*				79.6	142	84.2	55.3	0	0	0	0	116.5
87	H	28.8	Very low	27.2	Very low	179 Å²	179	130.7 Å²	130.7	83%	0.829	71%	0.712	S	S	*	*			trans	79.5	134	178.5	-54.9	-78.1	0	0	0	117.2
88	S	24.3	Very low	27.2	Very low	90 Å²	90	133.4 Å²	133.4	63%	0.629	73%	0.725	S	S	*	*			cis	-170	157.1	-12.8	53.5	0	0	0	0	113.9
89	Y	24.9	Very low	27	Very low	202 Å²	202	137 Å²	137	79%	0.792	73%	0.727	S	S	*	*			trans	92.1	123.9	147.1	-88.9	-65	0	0	0	122.3
90	F	26.7	Very low	26.7	Very low	179 Å²	179	138.1 Å²	138.1	79%	0.785	73%	0.727	S	S	*	*			trans	80.1	131.4	166.1	-69.9	-74.7	0	0	0	119.8
91	P	29.8	Very low	26.5	Very low	93 Å²	93	137.1 Å²	137.1	60%	0.604	72%	0.719	S	S	*	*			trans	-125.4	-148	-166.1	29.7	-2	0	0	0	110.8
92	E	24.5	Very low	26.3	Very low	154 Å²	154	141.7 Å²	141.7	72%	0.72	73%	0.733	S	S	*	*			trans	73.2	135.7	161	-57.5	154	-150	0	0	115.7
93	D	24.2	Very low	26.1	Very low	131 Å²	131	137.5 Å²	137.5	70%	0.701	72%	0.719	S	S	*	*			cis	-164.7	176.3	-15.1	-104.3	-16.8	0	0	0	109.5
94	D	24.2	Very low	25.6	Very low	134 Å²	134	138.9 Å²	138.9	72%	0.717	72%	0.721	S	S	*	*			trans	65.1	131.9	148.6	-59.5	-17.9	0	0	0	125.6
95	D	24.8	Very low	25.6	Very low	125 Å²	125	141.3 Å²	141.3	67%	0.668	72%	0.72	S	S	*	*				79.8	91.6	128.3	-70.9	-31	0	0	0	127	S97	D95-S97 PolarHBondContact O-N 3.47Å; D95-S97 VanDerWaalsContact O-N 3.16Å
96	S	24.6	Very low	25.4	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	71%	0.71	S	S	*	*				56.3	28.4	92.7	83.7	0	0	0	0	122.8
97	S	22.5	Very low	25.4	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	72%	0.724	S	S	*	*			trans	-153.1	109.3	156.1	53.7	0	0	0	0	117.8	D95	D95-S97 PolarHBondContact O-N 3.47Å; D95-S97 VanDerWaalsContact O-N 3.16Å
98	T	26.3	Very low	25.5	Very low	143 Å²	143	143.3 Å²	143.3	88%	0.877	71%	0.714	S	S	*	*			trans	-174.2	118.6	140.5	13.7	0	0	0	0	111.8
99	L	24.5	Very low	25.5	Very low	149 Å²	149	143.3 Å²	143.3	78%	0.78	71%	0.714	S	S	*	*			trans	-82.9	132.4	-178.5	-78.5	149.9	0	0	0	113.2	H101	L99-H101 PolarHBondContact O-N 2.9Å
100	Q	24.8	Very low	25.7	Very low	170 Å²	170	140.9 Å²	140.9	79%	0.794	71%	0.713	S	S	*	*			trans	46.6	50.4	142.9	-55.7	-170.6	2.6	0	0	119.9	K102	Q100-K102 VanDerWaalsContact C-N 3.29Å; Q100-K102 PolarHBondContact O-N 3.44Å
101	H	26.4	Very low	25.5	Very low	129 Å²	129	143.1 Å²	143.1	60%	0.597	72%	0.716	S	S	*	*			trans	-81.6	67.5	165	-78.7	-35.3	0	0	0	113.7	L99 N103	L99-H101 PolarHBondContact O-N 2.9Å; H101-N103 PolarHBondContact O-N 2.8Å
102	K	24.7	Very low	25.3	Very low	201 Å²	201	146.1 Å²	146.1	87%	0.874	72%	0.72	S	S	*	*			trans	-73.3	63.7	166.1	-73	-173.7	175.9	-179.3	0	111.2	Q100	Q100-K102 VanDerWaalsContact C-N 3.29Å; Q100-K102 PolarHBondContact O-N 3.44Å
103	N	25.6	Very low	25.2	Very low	89 Å²	89	149 Å²	149	48%	0.476	72%	0.724	S	S	.	*			trans	-98.2	139.1	179.7	-76.3	-37.5	0	0	0	112.3	H101 R105	H101-N103 PolarHBondContact O-N 2.8Å; N103-R105 VanDerWaalsContact C-N 3.25Å; N103-R105 PolarHBondContact O-N 3.36Å
104	L	26.3	Very low	25.1	Very low	125 Å²	125	152.1 Å²	152.1	65%	0.654	73%	0.732	S	S	*	*			trans	-79	57.2	-172.1	-69.3	161.7	0	0	0	113.4	P106 E585	L104-P106 VanDerWaalsContact O-CD 3.31Å; L104-P106 WeakPolarHBondContact O-CD 3.34Å; L104-E585 HydrophobicContact CD1-CG 4.17Å
105	R	25.7	Very low	25.3	Very low	181 Å²	181	151.2 Å²	151.2	68%	0.683	73%	0.731	S	S	*	*			trans	-61.4	125.1	161.3	-91.4	-175.6	169.4	152.8	-0.7	108.9	N103 R107	N103-R105 VanDerWaalsContact C-N 3.25Å; N103-R105 PolarHBondContact O-N 3.36Å; R105-R107 PolarHBondContact O-N 2.75Å
106	P	25.4	Very low	25.4	Very low	94 Å²	94	154.2 Å²	154.2	61%	0.61	74%	0.741	S	S	*	*			trans	-52.9	134.8	157	-21.7	33.9	0	0	0	108.4	L104 R108	L104-P106 VanDerWaalsContact O-CD 3.31Å; L104-P106 WeakPolarHBondContact O-CD 3.34Å; P106-R108 VanDerWaalsContact C-N 3.34Å; P106-R108 PolarHBondContact O-N 3.16Å
107	R	25.5	Very low	25.6	Very low	245 Å²	245	154.3 Å²	154.3	93%	0.925	73%	0.732	S	S	*	*	S	Bend	trans	-64.7	81.7	-166.4	-76	-178.1	171.1	179.6	-1.6	113.3	R105	R105-R107 PolarHBondContact O-N 2.75Å
108	R	30.7	Very low	26	Very low	163 Å²	163	154.5 Å²	154.5	62%	0.615	72%	0.721	S	S	*	*			trans	-116.7	30.8	168	-65.2	-164.1	-173.3	-169.8	7.9	113.1	P106 D197	P106-R108 VanDerWaalsContact C-N 3.34Å; P106-R108 PolarHBondContact O-N 3.16Å; R108-D197 IonicContact CZ-OD2 2.74Å; R108-D197 IonicContact NH2-OD2 2.69Å; R108-D197 PolarHBondContact NH2-OD2 3Å
109	S	23.9	Very low	26.3	Very low	90 Å²	90	152.8 Å²	152.8	63%	0.629	70%	0.703	S	S	*	*			trans	-101.4	53.8	172.6	65	0	0	0	0	112.1	R111	S109-R111 PolarHBondContact O-N 2.78Å
110	I	27.9	Very low	26.7	Very low	150 Å²	150	150.2 Å²	150.2	77%	0.769	69%	0.69	S	S	*	*			trans	-67.3	107.3	166.3	-63.4	-177.6	0	0	0	107
111	R	23.9	Very low	27.1	Very low	226 Å²	226	147 Å²	147	85%	0.853	68%	0.675	S	S	*	*			trans	-60.6	137.1	174.8	-71.4	173.3	167.8	168.4	-6.3	108.9	S109 R113	S109-R111 PolarHBondContact O-N 2.78Å; R111-R113 PolarHBondContact O-N 3Å
112	K	25.4	Very low	27.5	Very low	156 Å²	156	148.5 Å²	148.5	68%	0.678	68%	0.675	S	S	*	*	S	Bend	trans	-52.2	104.4	171.4	-59	167.9	178.9	-176.1	0	110.6	E352	K112-E352 WeakPolarHBondContact CE-OE2 3.4Å; K112-E352 IonicContact NZ-OE1 2.66Å; K112-E352 PolarHBondContact NZ-OE1 3.4Å; K112-E352 IonicContact NZ-OE2 3Å; K112-E352 PolarHBondContact NZ-OE2 3.45Å
113	R	21.9	Very low	27.8	Very low	215 Å²	215	142.9 Å²	142.9	81%	0.811	65%	0.652	S	S	*	*			trans	-170	102.4	167.8	-106.4	166.5	-155	-160.5	4.6	110.2	R111	R111-R113 PolarHBondContact O-N 3Å
114	F	23.2	Very low	28.4	Very low	197 Å²	197	144.8 Å²	144.8	86%	0.864	66%	0.656	S	S	*	*			trans	63	163.4	169.8	-51	-79.5	0	0	0	114.3
115	V	27.3	Very low	28.8	Very low	115 Å²	115	145 Å²	145	70%	0.697	66%	0.657	S	S	*	*			cis	-122.8	142	5.9	-172.1	0	0	0	0	110.1	I117	V115-I117 VanDerWaalsContact C-N 3.32Å; V115-I117 HydrophobicContact CB-CG1 4.17Å; V115-I117 HydrophobicContact CG1-CG1 3.86Å; V115-I117 PolarHBondContact O-N 3.07Å
116	E	26.8	Very low	29.3	Very low	188 Å²	188	142.7 Å²	142.7	88%	0.879	66%	0.658	S	S	*	*			trans	-82.7	77.1	163.7	-69.5	-178.2	140.9	0	0	109.2
117	I	29.9	Very low	29.7	Very low	111 Å²	111	143.7 Å²	143.7	57%	0.569	66%	0.658	S	S	*	*			trans	-69.3	128.4	166.7	-64.5	171.7	0	0	0	107	V115 E119	V115-I117 VanDerWaalsContact C-N 3.32Å; V115-I117 HydrophobicContact CB-CG1 4.17Å; V115-I117 HydrophobicContact CG1-CG1 3.86Å; V115-I117 PolarHBondContact O-N 3.07Å; I117-E119 PolarHBondContact O-N 3.29Å
118	Q	29.4	Very low	29.8	Very low	108 Å²	108	137.2 Å²	137.2	51%	0.505	64%	0.642	S	S	.	*			trans	-64.4	127.8	-174.1	-72.9	-174.9	-116.2	0	0	111.1	D120 E121	Q118-D120 HydrophobicContact CB-CB 4.14Å; Q118-D120 PolarHBondContact NE2-OD2 2.96Å; Q118-D120 PolarHBondContact O-N 3.49Å; Q118-D120 VanDerWaalsContact O-N 3.12Å; Q118-E121 HydrophobicContact CB-CG 4.28Å; Q118-E121 PolarHBondContact O-N 2.99Å; Q118-E121 VanDerWaalsContact O-N 3.08Å
119	E	33.8	Very low	29.7	Very low	106 Å²	106	140.7 Å²	140.7	50%	0.495	66%	0.657	S	S	.	*	H	α-helix	trans	-55.6	-26.2	166	-70	-171.1	137.3	0	0	110.2	I117 E121 E123	I117-E119 PolarHBondContact O-N 3.29Å; E119-E121 PolarHBondContact O-N 2.88Å; E119-E123 WeakPolarHBondContact O-CB 3.12Å; E119-E123 WeakPolarHBondContact O-CG 3.16Å; E119-E123 PolarHBondContact O-N 3.4Å
120	D	32.6	Very low	29.9	Very low	95 Å²	95	141.9 Å²	141.9	51%	0.508	66%	0.66	S	S	.	*	H	α-helix	trans	-64.7	-29.2	176.3	-45.9	-65.1	0	0	0	114.6	Q118 K124	Q118-D120 HydrophobicContact CB-CB 4.14Å; Q118-D120 PolarHBondContact NE2-OD2 2.96Å; Q118-D120 PolarHBondContact O-N 3.49Å; Q118-D120 VanDerWaalsContact O-N 3.12Å; D120-K124 WeakPolarHBondContact O-CG 3.48Å; D120-K124 PolarHBondContact O-N 3.43Å
121	E	32.6	Very low	29.9	Very low	102 Å²	102	138.6 Å²	138.6	48%	0.477	65%	0.65	S	S	.	*	H	α-helix	trans	-80	-38.5	178.9	-71.4	-170.2	134.6	0	0	111.4	Q118 E119 E123 K124 L125	Q118-E121 HydrophobicContact CB-CG 4.28Å; Q118-E121 PolarHBondContact O-N 2.99Å; Q118-E121 VanDerWaalsContact O-N 3.08Å; E119-E121 PolarHBondContact O-N 2.88Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-K124 WeakPolarHBondContact O-CB 3.45Å; E121-K124 PolarHBondContact O-N 3.28Å; E121-L125 WeakPolarHBondContact O-CG 3.45Å; E121-L125 PolarHBondContact O-N 2.92Å
122	W	34.7	Very low	30.3	Very low	162 Å²	162	135.7 Å²	135.7	61%	0.614	65%	0.651	S	S	*	*	H	α-helix	trans	-66.6	-34.7	168	-84.5	87.8	0	0	0	112	K124 L125 L126	W122-K124 VanDerWaalsContact C-N 3.34Å; W122-L125 PolarHBondContact O-N 3.36Å; W122-L126 WeakPolarHBondContact O-CB 3.45Å; W122-L126 VanDerWaalsContact O-CG 3.26Å; W122-L126 WeakPolarHBondContact O-CG 3.26Å; W122-L126 PolarHBondContact O-N 3.13Å
123	E	32.4	Very low	30.6	Very low	82 Å²	82	137.1 Å²	137.1	38%	0.383	66%	0.659	S	S	.	*	H	α-helix	trans	-72.8	-20.3	171.6	-71.5	-163.4	146.5	0	0	113.4	E119 E121 N127 K279	E119-E123 WeakPolarHBondContact O-CB 3.12Å; E119-E123 WeakPolarHBondContact O-CG 3.16Å; E119-E123 PolarHBondContact O-N 3.4Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E123-N127 VanDerWaalsContact O-CB 3.29Å; E123-N127 WeakPolarHBondContact O-CB 3.19Å; E123-N127 PolarHBondContact O-N 2.93Å; E123-N127 PolarHBondContact O-ND2 2.86Å; E123-K279 IonicContact OE1-NZ 3.61Å; E123-K279 PolarHBondContact OE1-NZ 3.29Å; E123-K279 IonicContact OE2-NZ 3.88Å; E123-K279 PolarHBondContact OE2-NZ 3.45Å
124	K	36.5	Very low	31.2	Very low	130 Å²	130	134.4 Å²	134.4	57%	0.565	66%	0.656	S	S	*	*	H	α-helix	trans	-69.3	-55.2	163.3	-78.9	176	179	174	0	111.3	D120 E121 W122 L126 N127 D128	D120-K124 WeakPolarHBondContact O-CG 3.48Å; D120-K124 PolarHBondContact O-N 3.43Å; E121-K124 WeakPolarHBondContact O-CB 3.45Å; E121-K124 PolarHBondContact O-N 3.28Å; W122-K124 VanDerWaalsContact C-N 3.34Å; K124-L126 PolarHBondContact O-N 3.46Å; K124-N127 PolarHBondContact O-N 3.24Å; K124-D128 PolarHBondContact O-N 2.78Å
125	L	36	Very low	31.4	Very low	129 Å²	129	129.9 Å²	129.9	68%	0.675	64%	0.637	S	S	*	*	H	α-helix	trans	-57.8	-22.7	-179	-70.4	167.7	0	0	0	113.6	E121 W122	E121-L125 WeakPolarHBondContact O-CG 3.45Å; E121-L125 PolarHBondContact O-N 2.92Å; W122-L125 PolarHBondContact O-N 3.36Å
126	L	35	Very low	31.3	Very low	133 Å²	133	130.1 Å²	130.1	70%	0.696	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-5.7	176	-66.8	170.8	0	0	0	114.9	W122 K124	W122-L126 WeakPolarHBondContact O-CB 3.45Å; W122-L126 VanDerWaalsContact O-CG 3.26Å; W122-L126 WeakPolarHBondContact O-CG 3.26Å; W122-L126 PolarHBondContact O-N 3.13Å; K124-L126 PolarHBondContact O-N 3.46Å
127	N	34.2	Very low	31.5	Very low	115 Å²	115	126.7 Å²	126.7	62%	0.615	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	-17.3	175.6	-76.4	-64.5	0	0	0	113.9	E123 K124 Y129	E123-N127 VanDerWaalsContact O-CB 3.29Å; E123-N127 WeakPolarHBondContact O-CB 3.19Å; E123-N127 PolarHBondContact O-N 2.93Å; E123-N127 PolarHBondContact O-ND2 2.86Å; K124-N127 PolarHBondContact O-N 3.24Å; N127-Y129 PolarHBondContact O-N 2.79Å
128	D	27.6	Very low	31.5	Very low	108 Å²	108	123.7 Å²	123.7	58%	0.578	63%	0.625	S	S	*	*			trans	-71.1	119.1	-179.4	-82	-33.1	0	0	0	111.7	K124 V130	K124-D128 PolarHBondContact O-N 2.78Å; D128-V130 VanDerWaalsContact C-N 3.29Å; D128-V130 HydrophobicContact CB-CG2 4.27Å; D128-V130 PolarHBondContact O-N 2.82Å
129	Y	29	Very low	31.6	Very low	237 Å²	237	125.1 Å²	125.1	93%	0.929	63%	0.632	S	S	*	*			trans	-73.5	74.5	178.1	-83.4	-114.2	0	0	0	110.9	N127	N127-Y129 PolarHBondContact O-N 2.79Å
130	V	27.6	Very low	31.5	Very low	115 Å²	115	128.2 Å²	128.2	70%	0.697	64%	0.64	S	S	*	*			trans	-115.4	139.4	178.7	-176.5	0	0	0	0	110.9	D128 L132	D128-V130 VanDerWaalsContact C-N 3.29Å; D128-V130 HydrophobicContact CB-CG2 4.27Å; D128-V130 PolarHBondContact O-N 2.82Å; V130-L132 PolarHBondContact O-N 3.46Å
131	S	27.5	Very low	31.4	Very low	80 Å²	80	129.4 Å²	129.4	56%	0.559	65%	0.646	S	S	*	*			trans	-68.5	113.6	-165.8	-59.9	0	0	0	0	114	H133	S131-H133 PolarHBondContact O-N 2.81Å
132	L	33	Very low	31.2	Very low	166 Å²	166	134 Å²	134	87%	0.869	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	26.5	169.7	-90.3	161.8	0	0	0	114.6	V130	V130-L132 PolarHBondContact O-N 3.46Å
133	H	32.8	Very low	30.9	Very low	185 Å²	185	131.6 Å²	131.6	86%	0.856	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-13.8	-176.1	-85.9	-64.9	0	0	0	114.6	S131	S131-H133 PolarHBondContact O-N 2.81Å
134	E	32.9	Very low	30.6	Very low	158 Å²	158	134.6 Å²	134.6	74%	0.738	68%	0.679	S	S	*	*	S	Bend	trans	-112.6	-6.7	-172.5	-65.5	-176.4	140.9	0	0	114.4
135	H	28.4	Very low	30.2	Very low	102 Å²	102	136.4 Å²	136.4	47%	0.472	69%	0.69	S	S	.	*			trans	-129.1	119	-173.6	-62.4	-18	0	0	0	111.8
136	D	25.8	Very low	29.8	Very low	120 Å²	120	134.2 Å²	134.2	64%	0.642	69%	0.685	S	S	*	*			trans	-73.7	138.5	179	-167.2	33.1	0	0	0	110.4	G138 Q139	D136-G138 PolarHBondContact O-N 3.19Å; D136-Q139 PolarHBondContact O-N 3.45Å; D136-Q139 VanDerWaalsContact O-N 3.09Å
137	P	29.2	Very low	29.6	Very low	116 Å²	116	131 Å²	131	75%	0.753	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-6.1	-170.5	-27.6	37.4	0	0	0	116.9
138	G	29.9	Very low	29.6	Very low	48 Å²	48	129.9 Å²	129.9	50%	0.495	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	-19.5	173.3	0	0	0	0	0	115.3	D136 Y140	D136-G138 PolarHBondContact O-N 3.19Å; G138-Y140 VanDerWaalsContact C-N 3.32Å; G138-Y140 PolarHBondContact O-N 3.37Å
139	Q	32.2	Very low	29.8	Very low	139 Å²	139	131.5 Å²	131.5	65%	0.65	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-0.2	-166.8	-69.4	-174.6	-19	0	0	116.1	D136	D136-Q139 PolarHBondContact O-N 3.45Å; D136-Q139 VanDerWaalsContact O-N 3.09Å
140	Y	31.5	Very low	30	Very low	170 Å²	170	124.6 Å²	124.6	67%	0.667	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	19.5	179.1	-79.5	-84.4	0	0	0	113.9	G138	G138-Y140 VanDerWaalsContact C-N 3.32Å; G138-Y140 PolarHBondContact O-N 3.37Å
141	L	31.9	Very low	30.9	Very low	120 Å²	120	127.1 Å²	127.1	63%	0.628	66%	0.655	S	S	*	*			trans	-109.3	30	-174.9	-76.9	165.9	0	0	0	114.9	I143 I148	L141-I143 PolarHBondContact O-N 3.14Å; L141-I148 HydrophobicContact CD2-CD1 3.88Å
142	E	26.5	Very low	32.2	Very low	200 Å²	200	127.4 Å²	127.4	94%	0.935	65%	0.649	S	S	*	*			trans	-89	28.3	160.7	-66.4	-166.4	160.4	0	0	112.4
143	I	29.5	Very low	33.8	Very low	110 Å²	110	121.6 Å²	121.6	56%	0.564	63%	0.625	S	S	*	*	S	Bend	trans	-95.2	117	170.2	-58.7	177.2	0	0	0	107.6	L141 E145	L141-I143 PolarHBondContact O-N 3.14Å; I143-E145 PolarHBondContact O-N 3.08Å
144	E	25.5	Very low	35.8	Very low	146 Å²	146	112.8 Å²	112.8	68%	0.682	59%	0.585	S	S	*	*			trans	-38.4	127.1	-172.4	-60.4	-178.2	164.5	0	0	114.3	S146 S147	E144-S146 WeakPolarHBondContact CB-OG 3.25Å; E144-S146 PolarHBondContact O-N 3.39Å; E144-S146 PolarHBondContact O-OG 2.79Å; E144-S147 PolarHBondContact O-N 2.92Å
145	E	28.7	Very low	38	Very low	168 Å²	168	107.6 Å²	107.6	79%	0.785	56%	0.56	S	S	*	*	H	α-helix	trans	-56.2	-19.6	-176.2	-58.9	-175.4	116.6	0	0	113.9	I143 S147 N149	I143-E145 PolarHBondContact O-N 3.08Å; E145-S147 PolarHBondContact O-N 3.32Å; E145-N149 PolarHBondContact O-ND2 3.42Å
146	S	28.3	Very low	40.7	Very low	83 Å²	83	107 Å²	107	58%	0.58	56%	0.558	S	S	*	*	H	α-helix	trans	-54.9	-30.9	171.5	62.7	0	0	0	0	113.7	E144	E144-S146 WeakPolarHBondContact CB-OG 3.25Å; E144-S146 PolarHBondContact O-N 3.39Å; E144-S146 PolarHBondContact O-OG 2.79Å
147	S	30.4	Very low	43.6	Very low	64 Å²	64	102.2 Å²	102.2	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-93.8	-36.4	-163.6	-66	0	0	0	0	114.6	E144 E145 N149 T150	E144-S147 PolarHBondContact O-N 2.92Å; E145-S147 PolarHBondContact O-N 3.32Å; S147-N149 VanDerWaalsContact C-N 3.34Å; S147-N149 PolarHBondContact O-N 2.89Å; S147-T150 PolarHBondContact O-OG1 2.98Å; S147-T150 VanDerWaalsContact O-OG1 3.12Å
148	I	33.1	Very low	46.2	Very low	93 Å²	93	98.5 Å²	98.5	48%	0.477	51%	0.506	S	S	.	.	H	α-helix	trans	-74.9	-25	-172.5	-63.1	175.2	0	0	0	112.1	L141 T150	L141-I148 HydrophobicContact CD2-CD1 3.88Å; I148-T150 PolarHBondContact O-N 2.86Å
149	N	31.6	Very low	48.7	Very low	141 Å²	141	96.7 Å²	96.7	75%	0.754	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	16.6	-175.8	-79.4	-57.9	0	0	0	116.2	E145 S147	E145-N149 PolarHBondContact O-ND2 3.42Å; S147-N149 VanDerWaalsContact C-N 3.34Å; S147-N149 PolarHBondContact O-N 2.89Å
150	T	35	Very low	51.3	Low	93 Å²	93	91.1 Å²	91.1	57%	0.571	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-0.3	-177.6	50.7	0	0	0	0	114.8	S147 I148	S147-T150 PolarHBondContact O-OG1 2.98Å; S147-T150 VanDerWaalsContact O-OG1 3.12Å; I148-T150 PolarHBondContact O-N 2.86Å
151	W	44.9	Very low	53.6	Low	167 Å²	167	85 Å²	85	63%	0.633	44%	0.438	S	S	*	.	S	Bend	trans	-104.9	166.6	-168.5	-69	61.8	0	0	0	114.1	A153 L280	W151-A153 PolarHBondContact O-N 2.83Å; W151-A153 VanDerWaalsContact O-N 3.09Å; W151-L280 HydrophobicContact CH2-CD1 4.45Å; W151-L280 HydrophobicContact CH2-CD2 4Å; W151-L280 HydrophobicContact CZ3-CD2 4.01Å
152	I	56	Low	55.8	Low	86 Å²	86	86.5 Å²	86.5	44%	0.441	44%	0.439	S	S	.	.			trans	-69.5	104.2	-159.9	-55.8	172	0	0	0	112.8	F195	I152-F195 HydrophobicContact CG2-CB 4.26Å; I152-F195 HydrophobicContact CG2-CD1 3.32Å; I152-F195 HydrophobicContact CG2-CE1 3.7Å; I152-F195 HydrophobicContact CG2-CG 3.84Å
153	A	65.9	Low	57.9	Low	44 Å²	44	78.4 Å²	78.4	36%	0.364	40%	0.402	S	S	.	.			trans	-79.5	141.9	176.3	0	0	0	0	0	113.5	W151 I196	W151-A153 PolarHBondContact O-N 2.83Å; W151-A153 VanDerWaalsContact O-N 3.09Å; A153-I196 HydrophobicContact CB-CB 4.33Å; A153-I196 HydrophobicContact CB-CD1 3.78Å; A153-I196 HydrophobicContact CB-CG1 4.19Å; A153-I196 PolarHBondContact O-N 2.84Å; A153-I196 VanDerWaalsContact O-N 3.08Å
154	V	74.3	Confident	59.6	Low	1 Å²	1	77.8 Å²	77.8	1%	0.006	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.4	-179	171	0	0	0	0	110.7	V193 M206 L211 K218	V154-V193 HydrophobicContact CB-CG1 4.26Å; V154-V193 HydrophobicContact CG1-CG1 3.68Å; V154-V193 HydrophobicContact CG2-CG1 3.93Å; V154-M206 HydrophobicContact CG2-CE 3.88Å; V154-M206 HydrophobicContact CG2-SD 4.19Å; V154-L211 HydrophobicContact CB-CD1 4.45Å; V154-L211 HydrophobicContact CG1-CD1 4.1Å; V154-L211 HydrophobicContact CG2-CD1 3.99Å; V154-K218 PolarHBondContact O-NZ 3.19Å
155	E	80.2	Confident	61.1	Low	48 Å²	48	75.8 Å²	75.8	22%	0.224	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-63.5	176.1	-161.1	-180	115.3	0	0	110.7	K194 I196 K218 H392	E155-K194 HydrophobicContact CB-CD 3.95Å; E155-K194 WeakPolarHBondContact CB-O 3.44Å; E155-K194 HydrophobicContact CG-CD 4.31Å; E155-K194 PolarHBondContact N-O 3.07Å; E155-K194 WeakPolarHBondContact OE1-CD 3.25Å; E155-K194 IonicContact OE1-NZ 3.64Å; E155-K194 PolarHBondContact OE1-NZ 2.99Å; E155-K194 IonicContact OE2-NZ 2.7Å; E155-K194 PolarHBondContact OE2-NZ 3.28Å; E155-I196 HydrophobicContact CB-CG1 3.73Å; E155-I196 HydrophobicContact CG-CG1 4.15Å; E155-K218 PolarHBondContact O-NZ 2.76Å; E155-H392 IonicContact OE1-CE1 3.73Å; E155-H392 PolarHBondContact OE1-CE1 3.38Å; E155-H392 VanDerWaalsContact OE1-CE1 3.25Å; E155-H392 IonicContact OE1-ND1 2.83Å
156	Q	84.4	Confident	62.3	Low	90 Å²	90	72.8 Å²	72.8	42%	0.421	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.1	-171.3	-169.3	-176.3	17.4	0	0	111.4	L158 K194 Y200	Q156-L158 HydrophobicContact CG-CD2 4.28Å; Q156-K194 HydrophobicContact CB-CB 4.34Å; Q156-K194 PolarHBondContact N-O 3.24Å; Q156-K194 PolarHBondContact O-N 3.18Å; Q156-Y200 PolarHBondContact OE1-OH 3.42Å
157	I	86.2	Confident	63.6	Low	20 Å²	20	71.3 Å²	71.3	10%	0.103	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.5	169.1	-59.1	165.5	0	0	0	107.7	Y191 L211 K218 Y222	I157-Y191 HydrophobicContact CG2-CD1 3.86Å; I157-L211 HydrophobicContact CD1-CD2 3.87Å; I157-L211 HydrophobicContact CG1-CD2 4.26Å; I157-K218 HydrophobicContact CD1-CB 4.3Å; I157-Y222 HydrophobicContact CB-CD2 3.94Å; I157-Y222 HydrophobicContact CB-CE2 4.24Å; I157-Y222 HydrophobicContact CB-CG 4.4Å; I157-Y222 HydrophobicContact CD1-CD2 4.5Å; I157-Y222 HydrophobicContact CD1-CG 4.18Å; I157-Y222 HydrophobicContact CG2-CD1 4.28Å; I157-Y222 HydrophobicContact CG2-CD2 3.67Å; I157-Y222 HydrophobicContact CG2-CE1 4.24Å; I157-Y222 HydrophobicContact CG2-CE2 3.61Å; I157-Y222 HydrophobicContact CG2-CG 4.02Å
158	L	84.3	Confident	64.8	Low	38 Å²	38	72.4 Å²	72.4	20%	0.199	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-23.1	-176.6	-64.3	174.5	0	0	0	113.1	Q156 F192 K194 Y200 V332	Q156-L158 HydrophobicContact CG-CD2 4.28Å; L158-F192 HydrophobicContact CB-CD1 3.84Å; L158-F192 HydrophobicContact CD1-CD1 3.99Å; L158-F192 HydrophobicContact CD1-CE1 3.94Å; L158-F192 PolarHBondContact N-O 3.11Å; L158-K194 HydrophobicContact CD1-CB 4.39Å; L158-Y200 HydrophobicContact CD1-CD1 4.45Å; L158-Y200 HydrophobicContact CD1-CE1 4.42Å; L158-Y200 HydrophobicContact CD2-CE1 4.43Å; L158-V332 HydrophobicContact CD1-CG2 4.03Å
159	G	83.2	Confident	66	Low	10 Å²	10	71.9 Å²	71.9	10%	0.103	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	173.4	179.3	0	0	0	0	0	112.9	Y191 F192 Y222	G159-Y191 WeakPolarHBondContact O-CA 3.42Å; G159-F192 PolarHBondContact O-N 3Å; G159-Y222 WeakPolarHBondContact CA-OH 3.48Å
160	N	85.2	Confident	66.9	Low	22 Å²	22	72.4 Å²	72.4	12%	0.118	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	158.4	172.1	70	-15.1	0	0	0	114	Q189 E190 Y191 Y222 K226	N160-Q189 HydrophobicContact CB-CB 4.47Å; N160-E190 CarbonylContact C-O 3.51Å; N160-E190 VanDerWaalsContact CA-O 3.28Å; N160-E190 WeakPolarHBondContact CA-O 3.22Å; N160-E190 WeakPolarHBondContact CB-O 3.15Å; N160-Y191 HydrophobicContact CB-CD1 3.58Å; N160-Y191 HydrophobicContact CB-CE1 3.76Å; N160-Y191 HydrophobicContact CB-CG 4.18Å; N160-Y191 WeakPolarHBondContact ND2-CE1 3.43Å; N160-Y222 HydrophobicContact CB-CE1 4.3Å; N160-K226 PolarHBondContact OD1-NZ 3.49Å
161	R	80	Confident	67.6	Low	41 Å²	41	71.2 Å²	71.2	16%	0.155	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.2	176.7	71.5	-172.2	-178.6	-152.5	-7	110.4	Q189 E190 W205	R161-Q189 CarbonylContact O-C 3.58Å; R161-Q189 VanDerWaalsContact O-CA 3.3Å; R161-Q189 WeakPolarHBondContact O-CA 3.45Å; R161-Q189 PolarHBondContact O-OE1 2.92Å; R161-E190 HydrophobicContact CG-CB 4.19Å; R161-E190 IonicContact CZ-OE2 2.75Å; R161-E190 PolarHBondContact N-O 3.34Å; R161-E190 IonicContact NE-OE2 3.78Å; R161-E190 PolarHBondContact NE-OE2 3.17Å; R161-E190 IonicContact NH2-OE2 3.25Å; R161-E190 PolarHBondContact NH2-OE2 2.77Å; R161-E190 PolarHBondContact O-N 2.82Å; R161-W205 HydrophobicContact CB-CH2 4.2Å; R161-W205 HydrophobicContact CB-CZ3 4.25Å; R161-W205 HydrophobicContact CG-CE3 4.2Å; R161-W205 HydrophobicContact CG-CH2 3.81Å; R161-W205 HydrophobicContact CG-CZ3 3.57Å; R161-W205 VanDerWaalsContact CZ-CD2 3.42Å; R161-W205 VanDerWaalsContact CZ-CE2 3.4Å; R161-W205 VanDerWaalsContact NH1-NE1 3.19Å
162	K	78.9	Confident	68	Low	152 Å²	152	65.3 Å²	65.3	66%	0.661	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	141.1	172.9	-68.6	-162.7	172.6	-154.3	0	111.3
163	L	71.4	Confident	68	Low	29 Å²	29	64.3 Å²	64.3	15%	0.152	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-61.6	135.7	177.9	-178	61.7	0	0	0	111.1	K167 I168 I172 E188 E190	L163-K167 HydrophobicContact CD1-CB 3.91Å; L163-K167 HydrophobicContact CD1-CD 4.16Å; L163-I168 HydrophobicContact CD2-CG1 3.87Å; L163-I168 HydrophobicContact CG-CG1 4.24Å; L163-I172 HydrophobicContact CD2-CG2 4.31Å; L163-E188 WeakPolarHBondContact CB-O 3.45Å; L163-E188 PolarHBondContact N-O 2.9Å; L163-E190 HydrophobicContact CB-CG 4.47Å; L163-E190 HydrophobicContact CD1-CG 3.55Å
164	K	64.2	Low	67.6	Low	98 Å²	98	66.7 Å²	66.7	43%	0.426	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71.1	132.7	174.8	-70.8	-177.9	179	176.3	0	109.7	S166 K167	K164-S166 PolarHBondContact O-N 3.37Å; K164-S166 VanDerWaalsContact O-N 3.08Å; K164-K167 PolarHBondContact O-N 3.12Å
165	S	57.6	Low	66.6	Low	103 Å²	103	68.2 Å²	68.2	72%	0.72	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-54.5	-31	179.5	52.4	0	0	0	0	113.9	K167 I168	S165-K167 PolarHBondContact O-N 2.78Å; S165-I168 PolarHBondContact O-N 2.72Å
166	S	54.3	Low	65.5	Low	106 Å²	106	67 Å²	67	74%	0.741	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-67.7	-8	175.4	66.3	0	0	0	0	115.3	K164	K164-S166 PolarHBondContact O-N 3.37Å; K164-S166 VanDerWaalsContact O-N 3.08Å
167	K	54.1	Low	64.3	Low	51 Å²	51	67 Å²	67	22%	0.222	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-104	-3.9	175	-71.7	-169.5	174.8	-169.1	0	113.3	L163 K164 S165 T169 E190 S285	L163-K167 HydrophobicContact CD1-CB 3.91Å; L163-K167 HydrophobicContact CD1-CD 4.16Å; K164-K167 PolarHBondContact O-N 3.12Å; S165-K167 PolarHBondContact O-N 2.78Å; K167-T169 PolarHBondContact O-N 2.84Å; K167-T169 VanDerWaalsContact O-N 3.13Å; K167-E190 VanDerWaalsContact CD-OE1 3.23Å; K167-E190 WeakPolarHBondContact CD-OE1 3.36Å; K167-E190 WeakPolarHBondContact CE-OE1 3.25Å; K167-E190 IonicContact NZ-OE1 3.91Å; K167-E190 PolarHBondContact NZ-OE1 3.2Å; K167-S285 PolarHBondContact NZ-O 2.97Å; K167-S285 PolarHBondContact NZ-OG 3.01Å
168	I	55.5	Low	63	Low	87 Å²	87	70.5 Å²	70.5	45%	0.446	40%	0.404	S	S	.	.			trans	-81.6	95.8	-178	-55	177.8	0	0	0	108.7	L163 S165 I172	L163-I168 HydrophobicContact CD2-CG1 3.87Å; L163-I168 HydrophobicContact CG-CG1 4.24Å; S165-I168 PolarHBondContact O-N 2.72Å; I168-I172 HydrophobicContact CG2-CG2 4.46Å
169	T	58.2	Low	61.7	Low	83 Å²	83	71.8 Å²	71.8	51%	0.509	41%	0.408	S	S	.	.			trans	-75.2	162.2	167.6	52.4	0	0	0	0	110.7	K167 A171 I172 S173	K167-T169 PolarHBondContact O-N 2.84Å; K167-T169 VanDerWaalsContact O-N 3.13Å; T169-A171 VanDerWaalsContact C-N 3.33Å; T169-A171 PolarHBondContact O-N 2.69Å; T169-I172 PolarHBondContact O-N 3Å; T169-I172 WeakPolarHBondContact OG1-CG1 3.35Å; T169-S173 PolarHBondContact O-N 3.39Å
170	K	52.1	Low	60.6	Low	152 Å²	152	74.6 Å²	74.6	66%	0.661	43%	0.426	S	S	*	.	H	α-helix	trans	-52.2	-49.1	176.4	-108.8	-169.2	158.2	-125.7	0	112.7	I172 S173 E174	K170-I172 VanDerWaalsContact C-N 3.27Å; K170-I172 PolarHBondContact O-N 3.39Å; K170-S173 CarbonylContact O-C 3.54Å; K170-S173 WeakPolarHBondContact O-CA 3.32Å; K170-S173 VanDerWaalsContact O-CB 3.28Å; K170-S173 WeakPolarHBondContact O-CB 3.24Å; K170-S173 PolarHBondContact O-N 2.88Å; K170-E174 IonicContact NZ-OE1 2.75Å; K170-E174 PolarHBondContact NZ-OE1 2.94Å; K170-E174 VanDerWaalsContact NZ-OE1 3.09Å; K170-E174 WeakPolarHBondContact O-CB 3.26Å; K170-E174 WeakPolarHBondContact O-CG 3.47Å; K170-E174 PolarHBondContact O-N 2.87Å
171	A	49.7	Very low	59.4	Low	68 Å²	68	78 Å²	78	56%	0.562	45%	0.451	S	S	*	.	H	α-helix	trans	-56.8	-36.6	176.7	0	0	0	0	0	113.5	T169 A175	T169-A171 VanDerWaalsContact C-N 3.33Å; T169-A171 PolarHBondContact O-N 2.69Å; A171-A175 VanDerWaalsContact O-CB 3.27Å; A171-A175 WeakPolarHBondContact O-CB 3.34Å; A171-A175 PolarHBondContact O-N 3.12Å
172	I	52.7	Low	58.4	Low	42 Å²	42	79.7 Å²	79.7	22%	0.215	46%	0.464	C	S	.	.	H	α-helix	trans	-71.2	-39.8	173.8	-65.4	172.2	0	0	0	110.5	L163 I168 T169 K170 V176	L163-I172 HydrophobicContact CD2-CG2 4.31Å; I168-I172 HydrophobicContact CG2-CG2 4.46Å; T169-I172 PolarHBondContact O-N 3Å; T169-I172 WeakPolarHBondContact OG1-CG1 3.35Å; K170-I172 VanDerWaalsContact C-N 3.27Å; K170-I172 PolarHBondContact O-N 3.39Å; I172-V176 HydrophobicContact CG2-CG2 4.25Å; I172-V176 VanDerWaalsContact O-CB 3.24Å; I172-V176 WeakPolarHBondContact O-CB 3.46Å; I172-V176 WeakPolarHBondContact O-CG2 3.47Å; I172-V176 PolarHBondContact O-N 2.84Å
173	S	56.8	Low	57.9	Low	66 Å²	66	73.9 Å²	73.9	46%	0.462	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-43.6	174.8	-172.3	0	0	0	0	112.3	T169 K170 V176 S177	T169-S173 PolarHBondContact O-N 3.39Å; K170-S173 CarbonylContact O-C 3.54Å; K170-S173 WeakPolarHBondContact O-CA 3.32Å; K170-S173 VanDerWaalsContact O-CB 3.28Å; K170-S173 WeakPolarHBondContact O-CB 3.24Å; K170-S173 PolarHBondContact O-N 2.88Å; S173-V176 PolarHBondContact O-N 3.46Å; S173-S177 PolarHBondContact O-N 3.31Å; S173-S177 PolarHBondContact O-OG 2.98Å
174	E	56.1	Low	57.8	Low	93 Å²	93	76.3 Å²	76.3	44%	0.435	45%	0.449	S	S	.	.	H	α-helix	trans	-71.4	-38.9	-177.3	-72.6	151.3	-179.5	0	0	110.2	K170 S177 S178	K170-E174 IonicContact NZ-OE1 2.75Å; K170-E174 PolarHBondContact NZ-OE1 2.94Å; K170-E174 VanDerWaalsContact NZ-OE1 3.09Å; K170-E174 WeakPolarHBondContact O-CB 3.26Å; K170-E174 WeakPolarHBondContact O-CG 3.47Å; K170-E174 PolarHBondContact O-N 2.87Å; E174-S177 WeakPolarHBondContact CA-OG 3.41Å; E174-S177 PolarHBondContact O-N 2.87Å; E174-S177 PolarHBondContact O-OG 3.39Å; E174-S178 PolarHBondContact O-N 3.46Å
175	A	53.5	Low	58.1	Low	34 Å²	34	76.9 Å²	76.9	28%	0.281	45%	0.454	S	S	.	.	H	α-helix	trans	-67.3	-37.6	169.1	0	0	0	0	0	113.7	A171 S177 S178 F179	A171-A175 VanDerWaalsContact O-CB 3.27Å; A171-A175 WeakPolarHBondContact O-CB 3.34Å; A171-A175 PolarHBondContact O-N 3.12Å; A175-S177 PolarHBondContact O-N 3.45Å; A175-S178 PolarHBondContact O-N 3.43Å; A175-S178 PolarHBondContact O-OG 3.01Å; A175-F179 VanDerWaalsContact O-CD2 3.24Å; A175-F179 WeakPolarHBondContact O-CD2 3.23Å; A175-F179 PolarHBondContact O-N 3.33Å
176	V	57.6	Low	58.9	Low	22 Å²	22	72.2 Å²	72.2	13%	0.133	42%	0.42	C	S	.	.	H	α-helix	trans	-67.2	-15.5	175.5	164.4	0	0	0	0	112.5	I172 S173 K184 V187 E188	I172-V176 HydrophobicContact CG2-CG2 4.25Å; I172-V176 VanDerWaalsContact O-CB 3.24Å; I172-V176 WeakPolarHBondContact O-CB 3.46Å; I172-V176 WeakPolarHBondContact O-CG2 3.47Å; I172-V176 PolarHBondContact O-N 2.84Å; S173-V176 PolarHBondContact O-N 3.46Å; V176-K184 HydrophobicContact CG1-CG 4.25Å; V176-K184 VanDerWaalsContact O-CE 3.32Å; V176-K184 WeakPolarHBondContact O-CE 3.4Å; V176-V187 HydrophobicContact CG2-CB 4.27Å; V176-V187 HydrophobicContact CG2-CG1 3.55Å; V176-E188 HydrophobicContact CG1-CG 4.34Å
177	S	58.3	Low	59.8	Low	89 Å²	89	67.2 Å²	67.2	62%	0.622	39%	0.385	S	S	*	.	H	α-helix	trans	-87.6	-17.4	168.1	35.6	0	0	0	0	115.4	S173 E174 A175	S173-S177 PolarHBondContact O-N 3.31Å; S173-S177 PolarHBondContact O-OG 2.98Å; E174-S177 WeakPolarHBondContact CA-OG 3.41Å; E174-S177 PolarHBondContact O-N 2.87Å; E174-S177 PolarHBondContact O-OG 3.39Å; A175-S177 PolarHBondContact O-N 3.45Å
178	S	58.9	Low	60.7	Low	95 Å²	95	68.4 Å²	68.4	66%	0.664	39%	0.392	S	S	*	.	H	α-helix	trans	-93.7	-15.1	179.7	61.6	0	0	0	0	114.6	E174 A175	E174-S178 PolarHBondContact O-N 3.46Å; A175-S178 PolarHBondContact O-N 3.43Å; A175-S178 PolarHBondContact O-OG 3.01Å
179	F	58.4	Low	61.8	Low	65 Å²	65	65.1 Å²	65.1	29%	0.285	38%	0.375	S	S	.	.	S	Bend	trans	-80.9	140	173.3	-74.5	-71.5	0	0	0	113	A175 N183 V187 F212	A175-F179 VanDerWaalsContact O-CD2 3.24Å; A175-F179 WeakPolarHBondContact O-CD2 3.23Å; A175-F179 PolarHBondContact O-N 3.33Å; F179-N183 HydrophobicContact CB-CB 4.24Å; F179-N183 HydrophobicContact CD1-CB 4.3Å; F179-V187 HydrophobicContact CD2-CG2 3.85Å; F179-V187 HydrophobicContact CE2-CG2 4.12Å; F179-V187 HydrophobicContact CG-CG2 4.26Å; F179-F212 HydrophobicContact CD1-CE1 4.35Å; F179-F212 HydrophobicContact CE1-CD1 4.03Å; F179-F212 AromaticContact CE1-CE1 3.77Å; F179-F212 HydrophobicContact CE1-CE1 3.77Å; F179-F212 HydrophobicContact CZ-CD1 4.3Å; F179-F212 HydrophobicContact CZ-CE1 4.49Å
180	S	60.2	Low	63	Low	69 Å²	69	61.3 Å²	61.3	48%	0.483	35%	0.351	S	S	.	.			trans	-60.9	157.7	175.3	67.3	0	0	0	0	112.9	N182 N183 K184	S180-N182 VanDerWaalsContact C-N 3.29Å; S180-N182 PolarHBondContact O-N 3.2Å; S180-N182 VanDerWaalsContact O-N 3.15Å; S180-N183 PolarHBondContact O-N 2.84Å; S180-N183 PolarHBondContact OG-ND2 2.98Å; S180-K184 PolarHBondContact O-N 2.96Å
181	S	59.2	Low	64.5	Low	92 Å²	92	54 Å²	54	64%	0.643	32%	0.319	S	S	*	.	H	α-helix	trans	-42.3	-50.8	-178.5	46.1	0	0	0	0	113.7	N183 K184	S181-N183 VanDerWaalsContact C-N 3.3Å; S181-N183 PolarHBondContact O-N 2.75Å; S181-K184 PolarHBondContact O-N 2.77Å
182	N	58.8	Low	66.3	Low	78 Å²	78	50.8 Å²	50.8	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-68.5	-25.1	-177.3	-67	6.3	0	0	0	113.5	S180 E1826	S180-N182 VanDerWaalsContact C-N 3.29Å; S180-N182 PolarHBondContact O-N 3.2Å; S180-N182 VanDerWaalsContact O-N 3.15Å; N182-E1826 PolarHBondContact ND2-OE1 3.27Å; N182-E1826 PolarHBondContact ND2-OE2 3.44Å
183	N	69.3	Low	67.9	Low	30 Å²	30	48.8 Å²	48.8	16%	0.16	28%	0.282	C	S	.	.	H	α-helix	trans	-92.4	-24.3	177.8	-67	-69.8	0	0	0	112.5	F179 S180 S181 E185 I186 V187 F212	F179-N183 HydrophobicContact CB-CB 4.24Å; F179-N183 HydrophobicContact CD1-CB 4.3Å; S180-N183 PolarHBondContact O-N 2.84Å; S180-N183 PolarHBondContact OG-ND2 2.98Å; S181-N183 VanDerWaalsContact C-N 3.3Å; S181-N183 PolarHBondContact O-N 2.75Å; N183-E185 PolarHBondContact O-N 3.16Å; N183-I186 VanDerWaalsContact O-CB 3.28Å; N183-I186 WeakPolarHBondContact O-CB 3.31Å; N183-I186 PolarHBondContact O-N 3.46Å; N183-V187 PolarHBondContact O-N 3.37Å; N183-F212 HydrophobicContact CB-CZ 4.32Å; N183-F212 WeakPolarHBondContact OD1-CE2 3.4Å; N183-F212 WeakPolarHBondContact OD1-CZ 3.37Å
184	K	69.4	Low	69.2	Low	80 Å²	80	45.9 Å²	45.9	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-43.6	-176.9	-169.5	170.4	-175	163.9	0	113.2	V176 S180 S181 I186 V187 E188	V176-K184 HydrophobicContact CG1-CG 4.25Å; V176-K184 VanDerWaalsContact O-CE 3.32Å; V176-K184 WeakPolarHBondContact O-CE 3.4Å; S180-K184 PolarHBondContact O-N 2.96Å; S181-K184 PolarHBondContact O-N 2.77Å; K184-I186 PolarHBondContact O-N 3.32Å; K184-V187 PolarHBondContact O-N 3.01Å; K184-V187 VanDerWaalsContact O-N 3.14Å; K184-E188 WeakPolarHBondContact CE-OE1 3.49Å; K184-E188 PolarHBondContact O-N 3.32Å; K184-E188 VanDerWaalsContact O-N 3.13Å
185	E	70.3	Confident	70.4	Confident	110 Å²	110	42.1 Å²	42.1	51%	0.514	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-22.7	177.3	-66.7	-152.6	126.7	0	0	113.8	N183 Q189 F223	N183-E185 PolarHBondContact O-N 3.16Å; E185-Q189 WeakPolarHBondContact O-CG 3.32Å; E185-Q189 PolarHBondContact O-NE2 2.79Å; E185-Q189 VanDerWaalsContact O-NE2 3.11Å; E185-F223 HydrophobicContact CB-CE2 4.17Å; E185-F223 HydrophobicContact CB-CZ 3.73Å; E185-F223 WeakPolarHBondContact OE2-CZ 3.41Å
186	I	72.8	Confident	71.5	Confident	4 Å²	4	44 Å²	44	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-75.3	-42.8	176.1	-54	178.9	0	0	0	110.1	N183 K184 Q189 Y191 F212 A219 R220 F223	N183-I186 VanDerWaalsContact O-CB 3.28Å; N183-I186 WeakPolarHBondContact O-CB 3.31Å; N183-I186 PolarHBondContact O-N 3.46Å; K184-I186 PolarHBondContact O-N 3.32Å; I186-Q189 PolarHBondContact O-N 3.42Å; I186-Y191 WeakPolarHBondContact CG2-OH 3.34Å; I186-Y191 WeakPolarHBondContact O-CE2 3.4Å; I186-Y191 PolarHBondContact O-OH 3.2Å; I186-F212 HydrophobicContact CD1-CE2 4.15Å; I186-F212 HydrophobicContact CG2-CD2 4.07Å; I186-A219 HydrophobicContact CG2-CB 4.14Å; I186-R220 HydrophobicContact CD1-CG 4.32Å; I186-F223 HydrophobicContact CD1-CG 4.46Å; I186-F223 HydrophobicContact CG1-CD1 4.39Å; I186-F223 HydrophobicContact CG1-CD2 4.04Å; I186-F223 HydrophobicContact CG1-CE2 4.33Å; I186-F223 HydrophobicContact CG1-CG 4.08Å
187	V	72.9	Confident	72.3	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-73.4	-30.5	-177.1	-174.8	0	0	0	0	112.1	V176 F179 N183 K184 Q189 A209	V176-V187 HydrophobicContact CG2-CB 4.27Å; V176-V187 HydrophobicContact CG2-CG1 3.55Å; F179-V187 HydrophobicContact CD2-CG2 3.85Å; F179-V187 HydrophobicContact CE2-CG2 4.12Å; F179-V187 HydrophobicContact CG-CG2 4.26Å; N183-V187 PolarHBondContact O-N 3.37Å; K184-V187 PolarHBondContact O-N 3.01Å; K184-V187 VanDerWaalsContact O-N 3.14Å; V187-Q189 PolarHBondContact O-N 3.24Å; V187-Q189 VanDerWaalsContact O-N 3.17Å; V187-A209 HydrophobicContact CG1-CB 3.96Å
188	E	73.5	Confident	73.4	Confident	76 Å²	76	45 Å²	45	36%	0.355	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	0	176.5	-70.6	-176	-169.1	0	0	115	L163 V176 K184	L163-E188 WeakPolarHBondContact CB-O 3.45Å; L163-E188 PolarHBondContact N-O 2.9Å; V176-E188 HydrophobicContact CG1-CG 4.34Å; K184-E188 WeakPolarHBondContact CE-OE1 3.49Å; K184-E188 PolarHBondContact O-N 3.32Å; K184-E188 VanDerWaalsContact O-N 3.13Å
189	Q	79.5	Confident	74.5	Confident	19 Å²	19	40.7 Å²	40.7	9%	0.089	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	154.9	175	-44.1	-57.8	-52.4	0	0	112.8	N160 R161 E185 I186 V187 Y191 G208	N160-Q189 HydrophobicContact CB-CB 4.47Å; R161-Q189 CarbonylContact O-C 3.58Å; R161-Q189 VanDerWaalsContact O-CA 3.3Å; R161-Q189 WeakPolarHBondContact O-CA 3.45Å; R161-Q189 PolarHBondContact O-OE1 2.92Å; E185-Q189 WeakPolarHBondContact O-CG 3.32Å; E185-Q189 PolarHBondContact O-NE2 2.79Å; E185-Q189 VanDerWaalsContact O-NE2 3.11Å; I186-Q189 PolarHBondContact O-N 3.42Å; V187-Q189 PolarHBondContact O-N 3.24Å; V187-Q189 VanDerWaalsContact O-N 3.17Å; Q189-Y191 HydrophobicContact CB-CD2 4.3Å; Q189-Y191 HydrophobicContact CB-CE2 3.69Å; Q189-Y191 HydrophobicContact CG-CE2 4.42Å; Q189-G208 VanDerWaalsContact O-CA 3.31Å; Q189-G208 WeakPolarHBondContact O-CA 3.5Å; Q189-G208 PolarHBondContact O-N 2.91Å
190	E	83.1	Confident	75.9	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.8	150.3	-60.6	-179.4	133.5	0	0	109.3	N160 R161 L163 K167 W205 M206	N160-E190 CarbonylContact C-O 3.51Å; N160-E190 VanDerWaalsContact CA-O 3.28Å; N160-E190 WeakPolarHBondContact CA-O 3.22Å; N160-E190 WeakPolarHBondContact CB-O 3.15Å; R161-E190 HydrophobicContact CG-CB 4.19Å; R161-E190 IonicContact CZ-OE2 2.75Å; R161-E190 PolarHBondContact N-O 3.34Å; R161-E190 IonicContact NE-OE2 3.78Å; R161-E190 PolarHBondContact NE-OE2 3.17Å; R161-E190 IonicContact NH2-OE2 3.25Å; R161-E190 PolarHBondContact NH2-OE2 2.77Å; R161-E190 PolarHBondContact O-N 2.82Å; L163-E190 HydrophobicContact CB-CG 4.47Å; L163-E190 HydrophobicContact CD1-CG 3.55Å; K167-E190 VanDerWaalsContact CD-OE1 3.23Å; K167-E190 WeakPolarHBondContact CD-OE1 3.36Å; K167-E190 WeakPolarHBondContact CE-OE1 3.25Å; K167-E190 IonicContact NZ-OE1 3.91Å; K167-E190 PolarHBondContact NZ-OE1 3.2Å; E190-W205 HydrophobicContact CB-CE3 3.7Å; E190-W205 HydrophobicContact CB-CZ3 4.22Å; E190-W205 WeakPolarHBondContact O-CZ3 3.46Å; E190-M206 CarbonylContact C-O 3.59Å; E190-M206 VanDerWaalsContact CA-O 3.32Å; E190-M206 WeakPolarHBondContact CA-O 3.46Å
191	Y	84	Confident	77	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.1	178.3	-64.8	-95.4	0	0	0	110.4	I157 G159 N160 I186 Q189 W205 M206 L211 Y222	I157-Y191 HydrophobicContact CG2-CD1 3.86Å; G159-Y191 WeakPolarHBondContact O-CA 3.42Å; N160-Y191 HydrophobicContact CB-CD1 3.58Å; N160-Y191 HydrophobicContact CB-CE1 3.76Å; N160-Y191 HydrophobicContact CB-CG 4.18Å; N160-Y191 WeakPolarHBondContact ND2-CE1 3.43Å; I186-Y191 WeakPolarHBondContact CG2-OH 3.34Å; I186-Y191 WeakPolarHBondContact O-CE2 3.4Å; I186-Y191 PolarHBondContact O-OH 3.2Å; Q189-Y191 HydrophobicContact CB-CD2 4.3Å; Q189-Y191 HydrophobicContact CB-CE2 3.69Å; Q189-Y191 HydrophobicContact CG-CE2 4.42Å; Y191-W205 WeakPolarHBondContact O-CA 3.38Å; Y191-M206 PolarHBondContact N-O 3.45Å; Y191-M206 PolarHBondContact O-N 2.91Å; Y191-L211 HydrophobicContact CD1-CD2 3.84Å; Y191-L211 HydrophobicContact CD2-CB 4.45Å; Y191-L211 HydrophobicContact CD2-CD2 3.55Å; Y191-L211 HydrophobicContact CE1-CD2 4.37Å; Y191-L211 HydrophobicContact CE2-CD2 4.11Å; Y191-L211 HydrophobicContact CG-CD2 3.41Å; Y191-L211 VanDerWaalsContact CG-CD2 3.41Å; Y191-Y222 HydrophobicContact CD1-CD1 4.43Å; Y191-Y222 HydrophobicContact CD1-CE1 4.37Å; Y191-Y222 AromaticContact CE1-CD1 3.97Å; Y191-Y222 HydrophobicContact CE1-CD1 3.97Å; Y191-Y222 HydrophobicContact CE1-CE1 4.08Å
192	F	87.6	Confident	78	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.2	173	-168.6	-122	0	0	0	109.1	L158 G159 C203 A204 W205 Y326 L327 W330 V332	L158-F192 HydrophobicContact CB-CD1 3.84Å; L158-F192 HydrophobicContact CD1-CD1 3.99Å; L158-F192 HydrophobicContact CD1-CE1 3.94Å; L158-F192 PolarHBondContact N-O 3.11Å; G159-F192 PolarHBondContact O-N 3Å; F192-C203 HydrophobicContact CE1-CB 3.95Å; F192-C203 HydrophobicContact CE2-CB 4Å; F192-C203 HydrophobicContact CZ-CB 3.46Å; F192-C203 VanDerWaalsContact CZ-CB 3.46Å; F192-A204 WeakPolarHBondContact CD2-O 3.42Å; F192-W205 HydrophobicContact CB-CD2 4.16Å; F192-W205 HydrophobicContact CB-CE3 4.07Å; F192-W205 HydrophobicContact CB-CH2 3.77Å; F192-W205 HydrophobicContact CB-CZ2 3.83Å; F192-W205 HydrophobicContact CB-CZ3 3.88Å; F192-W205 AromaticContact CD2-CD1 3.94Å; F192-W205 HydrophobicContact CD2-CD2 4.05Å; F192-W205 AromaticContact CD2-CE2 3.7Å; F192-W205 HydrophobicContact CD2-CG 4.19Å; F192-W205 HydrophobicContact CD2-CZ2 4.17Å; F192-W205 AromaticContact CD2-NE1 3.62Å; F192-W205 HydrophobicContact CG-CZ2 4.17Å; F192-Y326 HydrophobicContact CE2-CE1 4.45Å; F192-L327 HydrophobicContact CZ-CD2 4.01Å; F192-W330 HydrophobicContact CD1-CB 3.62Å; F192-W330 HydrophobicContact CD1-CG 4.43Å; F192-W330 HydrophobicContact CE1-CB 3.65Å; F192-W330 HydrophobicContact CG-CB 4.36Å; F192-W330 HydrophobicContact CZ-CB 4.4Å; F192-V332 HydrophobicContact CE1-CG2 4.31Å
193	V	84.7	Confident	79.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.9	-159.1	171.4	0	0	0	0	112.1	V154 F195 C203 A204 M206	V154-V193 HydrophobicContact CB-CG1 4.26Å; V154-V193 HydrophobicContact CG1-CG1 3.68Å; V154-V193 HydrophobicContact CG2-CG1 3.93Å; V193-F195 HydrophobicContact CG1-CD1 4.02Å; V193-F195 HydrophobicContact CG1-CE1 3.85Å; V193-F195 HydrophobicContact CG1-CZ 4.45Å; V193-C203 VanDerWaalsContact O-CA 3.31Å; V193-C203 WeakPolarHBondContact O-CA 3.29Å; V193-C203 WeakPolarHBondContact O-CB 3.3Å; V193-A204 PolarHBondContact N-O 3.38Å; V193-A204 PolarHBondContact O-N 2.86Å; V193-M206 HydrophobicContact CG2-CB 4.27Å
194	K	85.9	Confident	79.7	Confident	5 Å²	5	28.1 Å²	28.1	2%	0.022	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.6	165.5	-165.6	-104.8	-174	178	0	109.6	E155 Q156 L158 Q198 Y200	E155-K194 HydrophobicContact CB-CD 3.95Å; E155-K194 WeakPolarHBondContact CB-O 3.44Å; E155-K194 HydrophobicContact CG-CD 4.31Å; E155-K194 PolarHBondContact N-O 3.07Å; E155-K194 WeakPolarHBondContact OE1-CD 3.25Å; E155-K194 IonicContact OE1-NZ 3.64Å; E155-K194 PolarHBondContact OE1-NZ 2.99Å; E155-K194 IonicContact OE2-NZ 2.7Å; E155-K194 PolarHBondContact OE2-NZ 3.28Å; Q156-K194 HydrophobicContact CB-CB 4.34Å; Q156-K194 PolarHBondContact N-O 3.24Å; Q156-K194 PolarHBondContact O-N 3.18Å; L158-K194 HydrophobicContact CD1-CB 4.39Å; K194-Q198 VanDerWaalsContact CE-O 3.27Å; K194-Q198 WeakPolarHBondContact CE-O 3.42Å; K194-Y200 HydrophobicContact CB-CE1 4.41Å; K194-Y200 HydrophobicContact CD-CE1 4.46Å; K194-Y200 HydrophobicContact CG-CD1 4.05Å; K194-Y200 HydrophobicContact CG-CE1 3.86Å; K194-Y200 HydrophobicContact CG-CG 4.5Å
195	F	80.7	Confident	80.1	Confident	13 Å²	13	24.5 Å²	24.5	6%	0.057	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	152.4	-177	-56.2	-65.8	0	0	0	111.7	I152 V193 Q198 A204 M206	I152-F195 HydrophobicContact CG2-CB 4.26Å; I152-F195 HydrophobicContact CG2-CD1 3.32Å; I152-F195 HydrophobicContact CG2-CE1 3.7Å; I152-F195 HydrophobicContact CG2-CG 3.84Å; V193-F195 HydrophobicContact CG1-CD1 4.02Å; V193-F195 HydrophobicContact CG1-CE1 3.85Å; V193-F195 HydrophobicContact CG1-CZ 4.45Å; F195-Q198 HydrophobicContact CB-CB 4.14Å; F195-Q198 HydrophobicContact CB-CG 4.25Å; F195-A204 HydrophobicContact CE2-CB 4.02Å; F195-A204 HydrophobicContact CZ-CB 4.27Å; F195-M206 HydrophobicContact CE1-CE 3.83Å
196	I	77.2	Confident	80.5	Confident	74 Å²	74	20.1 Å²	20.1	38%	0.379	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	149.2	171.3	-58.5	-175.6	0	0	0	109.1	A153 E155 Q198	A153-I196 HydrophobicContact CB-CB 4.33Å; A153-I196 HydrophobicContact CB-CD1 3.78Å; A153-I196 HydrophobicContact CB-CG1 4.19Å; A153-I196 PolarHBondContact O-N 2.84Å; A153-I196 VanDerWaalsContact O-N 3.08Å; E155-I196 HydrophobicContact CB-CG1 3.73Å; E155-I196 HydrophobicContact CG-CG1 4.15Å; I196-Q198 PolarHBondContact O-N 3.45Å; I196-Q198 VanDerWaalsContact O-N 3.16Å
197	D	73.6	Confident	80.6	Confident	97 Å²	97	21 Å²	21	52%	0.519	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	16.1	-174.7	-57.6	-16.1	0	0	0	115.7	R108	R108-D197 IonicContact CZ-OD2 2.74Å; R108-D197 IonicContact NH2-OD2 2.69Å; R108-D197 PolarHBondContact NH2-OD2 3Å
198	Q	80.3	Confident	80.7	Confident	36 Å²	36	21 Å²	21	17%	0.168	11%	0.105	C	C	.	.			trans	-130.4	142.8	-176	-65	-177.1	50.1	0	0	113	K194 F195 I196 H202	K194-Q198 VanDerWaalsContact CE-O 3.27Å; K194-Q198 WeakPolarHBondContact CE-O 3.42Å; F195-Q198 HydrophobicContact CB-CB 4.14Å; F195-Q198 HydrophobicContact CB-CG 4.25Å; I196-Q198 PolarHBondContact O-N 3.45Å; I196-Q198 VanDerWaalsContact O-N 3.16Å; Q198-H202 HydrophobicContact CB-CB 4.25Å
199	S	84.1	Confident	80.5	Confident	4 Å²	4	18.5 Å²	18.5	3%	0.028	10%	0.098	C	C	.	.			trans	-72.4	158.1	176.8	54.6	0	0	0	0	111.8	W201 H202 W385 E396	S199-W201 PolarHBondContact O-N 2.82Å; S199-H202 PolarHBondContact O-N 3.41Å; S199-H202 PolarHBondContact OG-CD2 3.06Å; S199-W385 VanDerWaalsContact CB-CZ2 3.4Å; S199-E396 VanDerWaalsContact CB-OE1 3.23Å; S199-E396 WeakPolarHBondContact CB-OE1 3.48Å; S199-E396 PolarHBondContact OG-OE1 2.79Å
200	Y	86.7	Confident	80.1	Confident	27 Å²	27	19.8 Å²	19.8	11%	0.106	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-59.8	-16.6	179.1	-77.2	-90.8	0	0	0	113.5	Q156 L158 K194 H202 C203 V332 L388	Q156-Y200 PolarHBondContact OE1-OH 3.42Å; L158-Y200 HydrophobicContact CD1-CD1 4.45Å; L158-Y200 HydrophobicContact CD1-CE1 4.42Å; L158-Y200 HydrophobicContact CD2-CE1 4.43Å; K194-Y200 HydrophobicContact CB-CE1 4.41Å; K194-Y200 HydrophobicContact CD-CE1 4.46Å; K194-Y200 HydrophobicContact CG-CD1 4.05Å; K194-Y200 HydrophobicContact CG-CE1 3.86Å; K194-Y200 HydrophobicContact CG-CG 4.5Å; Y200-H202 PolarHBondContact O-N 3.16Å; Y200-C203 PolarHBondContact O-N 2.88Å; Y200-V332 HydrophobicContact CD1-CG1 4Å; Y200-V332 HydrophobicContact CD1-CG2 4.26Å; Y200-V332 HydrophobicContact CG-CG1 4.21Å; Y200-L388 HydrophobicContact CD2-CD1 3.93Å; Y200-L388 HydrophobicContact CE2-CD1 3.69Å; Y200-L388 HydrophobicContact CE2-CD2 4.38Å
201	W	82.9	Confident	79.8	Confident	10 Å²	10	19.7 Å²	19.7	4%	0.038	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-63	-23.8	170.2	-73	103.4	0	0	0	113.9	S199 R323 R324 L327 L337 W385 L430 P431 V434	S199-W201 PolarHBondContact O-N 2.82Å; W201-R323 HydrophobicContact CE3-CG 4.49Å; W201-R323 HydrophobicContact CZ3-CG 4.39Å; W201-R323 PolarHBondContact O-NH2 3.06Å; W201-R324 HydrophobicContact CH2-CB 4.27Å; W201-R324 HydrophobicContact CZ3-CB 4.47Å; W201-L327 HydrophobicContact CD2-CD1 4.35Å; W201-L327 HydrophobicContact CE3-CD1 3.77Å; W201-L327 HydrophobicContact CZ3-CD1 4.12Å; W201-L337 HydrophobicContact CD2-CD2 4Å; W201-L337 HydrophobicContact CG-CD2 4.13Å; W201-L337 HydrophobicContact CZ2-CB 3.81Å; W201-L337 HydrophobicContact CZ2-CD1 4.4Å; W201-L337 HydrophobicContact CZ2-CD2 4.33Å; W201-L337 HydrophobicContact CZ2-CG 4.41Å; W201-L337 PolarHBondContact NE1-O 2.8Å; W201-L337 VanDerWaalsContact NE1-O 3.14Å; W201-W385 AromaticContact CD1-CH2 3.5Å; W201-W385 AromaticContact CD1-CZ3 3.64Å; W201-W385 AromaticContact NE1-CH2 3.8Å; W201-W385 AromaticContact NE1-CZ3 3.51Å; W201-L430 HydrophobicContact CB-CD2 3.45Å; W201-L430 VanDerWaalsContact CB-CD2 3.45Å; W201-L430 HydrophobicContact CG-CD2 3.73Å; W201-P431 HydrophobicContact CE3-CG 3.97Å; W201-P431 HydrophobicContact CH2-CG 4.25Å; W201-P431 HydrophobicContact CZ3-CG 3.69Å; W201-V434 HydrophobicContact CH2-CG2 4.05Å; W201-V434 HydrophobicContact CZ2-CG2 3.64Å
202	H	81.1	Confident	79.3	Confident	27 Å²	27	20.7 Å²	20.7	13%	0.125	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-94.5	1.7	179.6	-60.4	-56.8	0	0	0	114.7	Q198 S199 Y200 A204 E396 N428	Q198-H202 HydrophobicContact CB-CB 4.25Å; S199-H202 PolarHBondContact O-N 3.41Å; S199-H202 PolarHBondContact OG-CD2 3.06Å; Y200-H202 PolarHBondContact O-N 3.16Å; H202-A204 PolarHBondContact O-N 3.19Å; H202-E396 IonicContact NE2-OE2 4Å; H202-N428 PolarHBondContact CE1-O 2.87Å
203	C	83.3	Confident	78.4	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.014	14%	0.141	C	C	.	.			trans	-56.1	134.8	177.5	-71.5	0	0	0	0	112.6	F192 V193 Y200 R323 L327	F192-C203 HydrophobicContact CE1-CB 3.95Å; F192-C203 HydrophobicContact CE2-CB 4Å; F192-C203 HydrophobicContact CZ-CB 3.46Å; F192-C203 VanDerWaalsContact CZ-CB 3.46Å; V193-C203 VanDerWaalsContact O-CA 3.31Å; V193-C203 WeakPolarHBondContact O-CA 3.29Å; V193-C203 WeakPolarHBondContact O-CB 3.3Å; Y200-C203 PolarHBondContact O-N 2.88Å; C203-R323 PolarHBondContact O-NH2 3.17Å; C203-L327 HydrophobicContact CB-CD2 4.3Å
204	A	79.4	Confident	77.6	Confident	4 Å²	4	29.5 Å²	29.5	3%	0.033	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	172.7	-170.3	0	0	0	0	0	112.3	F192 V193 F195 H202 V284	F192-A204 WeakPolarHBondContact CD2-O 3.42Å; V193-A204 PolarHBondContact N-O 3.38Å; V193-A204 PolarHBondContact O-N 2.86Å; F195-A204 HydrophobicContact CE2-CB 4.02Å; F195-A204 HydrophobicContact CZ-CB 4.27Å; H202-A204 PolarHBondContact O-N 3.19Å; A204-V284 HydrophobicContact CB-CG1 3.99Å
205	W	79.1	Confident	77.1	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133	176.3	-72	92.4	0	0	0	112	R161 E190 Y191 F192 Y326 W330	R161-W205 HydrophobicContact CB-CH2 4.2Å; R161-W205 HydrophobicContact CB-CZ3 4.25Å; R161-W205 HydrophobicContact CG-CE3 4.2Å; R161-W205 HydrophobicContact CG-CH2 3.81Å; R161-W205 HydrophobicContact CG-CZ3 3.57Å; R161-W205 VanDerWaalsContact CZ-CD2 3.42Å; R161-W205 VanDerWaalsContact CZ-CE2 3.4Å; R161-W205 VanDerWaalsContact NH1-NE1 3.19Å; E190-W205 HydrophobicContact CB-CE3 3.7Å; E190-W205 HydrophobicContact CB-CZ3 4.22Å; E190-W205 WeakPolarHBondContact O-CZ3 3.46Å; Y191-W205 WeakPolarHBondContact O-CA 3.38Å; F192-W205 HydrophobicContact CB-CD2 4.16Å; F192-W205 HydrophobicContact CB-CE3 4.07Å; F192-W205 HydrophobicContact CB-CH2 3.77Å; F192-W205 HydrophobicContact CB-CZ2 3.83Å; F192-W205 HydrophobicContact CB-CZ3 3.88Å; F192-W205 AromaticContact CD2-CD1 3.94Å; F192-W205 HydrophobicContact CD2-CD2 4.05Å; F192-W205 AromaticContact CD2-CE2 3.7Å; F192-W205 HydrophobicContact CD2-CG 4.19Å; F192-W205 HydrophobicContact CD2-CZ2 4.17Å; F192-W205 AromaticContact CD2-NE1 3.62Å; F192-W205 HydrophobicContact CG-CZ2 4.17Å; W205-Y326 AromaticContact NE1-CZ 3.8Å; W205-Y326 PolarHBondContact NE1-OH 3.27Å; W205-W330 HydrophobicContact CH2-CD2 4.27Å; W205-W330 AromaticContact CH2-CE3 3.89Å; W205-W330 HydrophobicContact CH2-CE3 3.89Å; W205-W330 AromaticContact CH2-CH2 3.88Å; W205-W330 HydrophobicContact CH2-CH2 3.88Å; W205-W330 HydrophobicContact CH2-CZ2 4.25Å; W205-W330 AromaticContact CH2-CZ3 3.69Å; W205-W330 HydrophobicContact CH2-CZ3 3.69Å; W205-W330 AromaticContact CZ2-CD2 3.68Å; W205-W330 HydrophobicContact CZ2-CD2 3.68Å; W205-W330 AromaticContact CZ2-CE2 3.62Å; W205-W330 AromaticContact CZ2-CE3 3.79Å; W205-W330 HydrophobicContact CZ2-CE3 3.79Å; W205-W330 HydrophobicContact CZ2-CG 4.33Å; W205-W330 AromaticContact CZ2-CH2 3.83Å; W205-W330 HydrophobicContact CZ2-CH2 3.83Å; W205-W330 AromaticContact CZ2-CZ2 3.71Å; W205-W330 HydrophobicContact CZ2-CZ2 3.71Å; W205-W330 AromaticContact CZ2-CZ3 3.87Å; W205-W330 HydrophobicContact CZ2-CZ3 3.87Å
206	M	77.5	Confident	76.9	Confident	17 Å²	17	32.6 Å²	32.6	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.8	176.7	-173.9	177.9	-75.5	0	0	109.9	V154 E190 Y191 V193 F195 V210 L211 L214	V154-M206 HydrophobicContact CG2-CE 3.88Å; V154-M206 HydrophobicContact CG2-SD 4.19Å; E190-M206 CarbonylContact C-O 3.59Å; E190-M206 VanDerWaalsContact CA-O 3.32Å; E190-M206 WeakPolarHBondContact CA-O 3.46Å; Y191-M206 PolarHBondContact N-O 3.45Å; Y191-M206 PolarHBondContact O-N 2.91Å; V193-M206 HydrophobicContact CG2-CB 4.27Å; F195-M206 HydrophobicContact CE1-CE 3.83Å; M206-V210 HydrophobicContact CG-CB 3.99Å; M206-V210 HydrophobicContact CG-CG1 3.95Å; M206-V210 HydrophobicContact SD-CG1 4.1Å; M206-L211 HydrophobicContact CG-CB 4.27Å; M206-L211 HydrophobicContact SD-CB 3.77Å; M206-L211 HydrophobicContact SD-CD1 3.9Å; M206-L211 HydrophobicContact SD-CG 4.44Å; M206-L214 HydrophobicContact CE-CD1 3.94Å; M206-L214 HydrophobicContact SD-CD1 4.17Å
207	S	75.6	Confident	76.8	Confident	24 Å²	24	33 Å²	33	17%	0.168	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	142.9	172.9	177.6	0	0	0	0	110.8	A209 V210 L211	S207-A209 PolarHBondContact O-N 3.45Å; S207-V210 PolarHBondContact O-N 3.2Å; S207-L211 PolarHBondContact O-N 3.41Å
208	G	75.9	Confident	77	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.3	-35.4	176.7	0	0	0	0	0	113.3	Q189 L211 F212	Q189-G208 VanDerWaalsContact O-CA 3.31Å; Q189-G208 WeakPolarHBondContact O-CA 3.5Å; Q189-G208 PolarHBondContact O-N 2.91Å; G208-L211 PolarHBondContact O-N 2.88Å; G208-F212 VanDerWaalsContact O-CB 3.24Å; G208-F212 WeakPolarHBondContact O-CB 3.31Å; G208-F212 PolarHBondContact O-N 3.4Å
209	A	68.4	Low	76.9	Confident	24 Å²	24	30.3 Å²	30.3	20%	0.198	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-49	171.9	0	0	0	0	0	112.1	V187 S207 F212 T213	V187-A209 HydrophobicContact CG1-CB 3.96Å; S207-A209 PolarHBondContact O-N 3.45Å; A209-F212 PolarHBondContact O-N 3.14Å; A209-T213 PolarHBondContact O-N 3.48Å; A209-T213 PolarHBondContact O-OG1 3.15Å
210	V	70.5	Confident	76.8	Confident	46 Å²	46	35.9 Å²	35.9	28%	0.279	19%	0.194	S	C	.	.	H	α-helix	trans	-71.1	-35.7	-177.7	178.7	0	0	0	0	111.4	M206 S207 F212 T213 L214	M206-V210 HydrophobicContact CG-CB 3.99Å; M206-V210 HydrophobicContact CG-CG1 3.95Å; M206-V210 HydrophobicContact SD-CG1 4.1Å; S207-V210 PolarHBondContact O-N 3.2Å; V210-F212 VanDerWaalsContact C-N 3.35Å; V210-T213 PolarHBondContact O-OG1 3.4Å; V210-L214 HydrophobicContact CG1-CD1 3.82Å; V210-L214 HydrophobicContact CG1-CG 4.39Å; V210-L214 WeakPolarHBondContact O-CB 3.3Å; V210-L214 VanDerWaalsContact O-CG 3.24Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 2.94Å
211	L	76.5	Confident	76.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.2	-36.4	174	-177.1	63.2	0	0	0	111.7	V154 I157 Y191 M206 S207 G208 N215 A219	V154-L211 HydrophobicContact CB-CD1 4.45Å; V154-L211 HydrophobicContact CG1-CD1 4.1Å; V154-L211 HydrophobicContact CG2-CD1 3.99Å; I157-L211 HydrophobicContact CD1-CD2 3.87Å; I157-L211 HydrophobicContact CG1-CD2 4.26Å; Y191-L211 HydrophobicContact CD1-CD2 3.84Å; Y191-L211 HydrophobicContact CD2-CB 4.45Å; Y191-L211 HydrophobicContact CD2-CD2 3.55Å; Y191-L211 HydrophobicContact CE1-CD2 4.37Å; Y191-L211 HydrophobicContact CE2-CD2 4.11Å; Y191-L211 HydrophobicContact CG-CD2 3.41Å; Y191-L211 VanDerWaalsContact CG-CD2 3.41Å; M206-L211 HydrophobicContact CG-CB 4.27Å; M206-L211 HydrophobicContact SD-CB 3.77Å; M206-L211 HydrophobicContact SD-CD1 3.9Å; M206-L211 HydrophobicContact SD-CG 4.44Å; S207-L211 PolarHBondContact O-N 3.41Å; G208-L211 PolarHBondContact O-N 2.88Å; L211-N215 HydrophobicContact CD1-CB 4.41Å; L211-N215 CarbonylContact O-C 3.55Å; L211-N215 WeakPolarHBondContact O-CA 3.48Å; L211-N215 PolarHBondContact O-N 2.73Å; L211-A219 HydrophobicContact CD2-CB 4.36Å; L211-A219 HydrophobicContact CG-CB 4.34Å
212	F	74.4	Confident	76.5	Confident	20 Å²	20	39.5 Å²	39.5	9%	0.088	22%	0.219	C	C	.	.	H	α-helix	trans	-74.5	-32.8	-179.4	-164.1	-96.4	0	0	0	112.7	F179 N183 I186 G208 A209 V210 P216 A219 R220	F179-F212 HydrophobicContact CD1-CE1 4.35Å; F179-F212 HydrophobicContact CE1-CD1 4.03Å; F179-F212 AromaticContact CE1-CE1 3.77Å; F179-F212 HydrophobicContact CE1-CE1 3.77Å; F179-F212 HydrophobicContact CZ-CD1 4.3Å; F179-F212 HydrophobicContact CZ-CE1 4.49Å; N183-F212 HydrophobicContact CB-CZ 4.32Å; N183-F212 WeakPolarHBondContact OD1-CE2 3.4Å; N183-F212 WeakPolarHBondContact OD1-CZ 3.37Å; I186-F212 HydrophobicContact CD1-CE2 4.15Å; I186-F212 HydrophobicContact CG2-CD2 4.07Å; G208-F212 VanDerWaalsContact O-CB 3.24Å; G208-F212 WeakPolarHBondContact O-CB 3.31Å; G208-F212 PolarHBondContact O-N 3.4Å; A209-F212 PolarHBondContact O-N 3.14Å; V210-F212 VanDerWaalsContact C-N 3.35Å; F212-P216 HydrophobicContact CD2-CB 4.47Å; F212-P216 WeakPolarHBondContact O-CB 3.39Å; F212-P216 VanDerWaalsContact O-CD 3.29Å; F212-P216 WeakPolarHBondContact O-CD 3.32Å; F212-A219 HydrophobicContact CD2-CB 4.29Å; F212-R220 HydrophobicContact CE2-CG 4.24Å
213	T	68.5	Low	76.3	Confident	106 Å²	106	39.5 Å²	39.5	65%	0.65	22%	0.219	S	C	*	.	H	α-helix	trans	-73.2	-40.1	170.9	54.5	0	0	0	0	112.3	A209 V210	A209-T213 PolarHBondContact O-N 3.48Å; A209-T213 PolarHBondContact O-OG1 3.15Å; V210-T213 PolarHBondContact O-OG1 3.4Å
214	L	68.5	Low	76	Confident	79 Å²	79	47.7 Å²	47.7	41%	0.414	25%	0.25	S	C	.	.	H	α-helix	trans	-75.7	-39.3	-179.5	-70	174.6	0	0	0	113.8	M206 V210	M206-L214 HydrophobicContact CE-CD1 3.94Å; M206-L214 HydrophobicContact SD-CD1 4.17Å; V210-L214 HydrophobicContact CG1-CD1 3.82Å; V210-L214 HydrophobicContact CG1-CG 4.39Å; V210-L214 WeakPolarHBondContact O-CB 3.3Å; V210-L214 VanDerWaalsContact O-CG 3.24Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 2.94Å
215	N	74.5	Confident	75.8	Confident	33 Å²	33	49.7 Å²	49.7	18%	0.176	26%	0.261	C	S	.	.			trans	-151.4	64.8	-168.7	-92.8	-103.1	0	0	0	111.6	L211 S217 K218 A219	L211-N215 HydrophobicContact CD1-CB 4.41Å; L211-N215 CarbonylContact O-C 3.55Å; L211-N215 WeakPolarHBondContact O-CA 3.48Å; L211-N215 PolarHBondContact O-N 2.73Å; N215-S217 VanDerWaalsContact C-N 3.29Å; N215-S217 PolarHBondContact O-N 3.16Å; N215-K218 HydrophobicContact CB-CB 4.39Å; N215-K218 PolarHBondContact O-N 3.33Å; N215-K218 WeakPolarHBondContact OD1-CD 3.45Å; N215-A219 PolarHBondContact O-N 3.19Å
216	P	76.9	Confident	75.6	Confident	51 Å²	51	53.5 Å²	53.5	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-33.3	-174.4	21.8	-31.4	0	0	0	113.7	F212 A219 R220	F212-P216 HydrophobicContact CD2-CB 4.47Å; F212-P216 WeakPolarHBondContact O-CB 3.39Å; F212-P216 VanDerWaalsContact O-CD 3.29Å; F212-P216 WeakPolarHBondContact O-CD 3.32Å; P216-A219 PolarHBondContact O-N 2.76Å; P216-R220 VanDerWaalsContact O-CG 3.31Å; P216-R220 WeakPolarHBondContact O-CG 3.25Å; P216-R220 PolarHBondContact O-N 2.76Å
217	S	74.7	Confident	75.1	Confident	83 Å²	83	57.3 Å²	57.3	58%	0.58	30%	0.296	S	S	*	.	H	α-helix	trans	-62.2	-49.5	177.7	53.5	0	0	0	0	112.2	N215 A219 R220 A221	N215-S217 VanDerWaalsContact C-N 3.29Å; N215-S217 PolarHBondContact O-N 3.16Å; S217-A219 PolarHBondContact O-N 3.25Å; S217-R220 PolarHBondContact O-N 2.81Å; S217-A221 WeakPolarHBondContact O-CB 3.31Å; S217-A221 PolarHBondContact O-N 3.13Å
218	K	77.9	Confident	74.3	Confident	76 Å²	76	61.4 Å²	61.4	33%	0.33	31%	0.311	S	S	.	.	H	α-helix	trans	-63.5	-40.2	178.6	-62.9	-168.9	179.4	-172.6	0	111.8	V154 E155 I157 N215 Y222	V154-K218 PolarHBondContact O-NZ 3.19Å; E155-K218 PolarHBondContact O-NZ 2.76Å; I157-K218 HydrophobicContact CD1-CB 4.3Å; N215-K218 HydrophobicContact CB-CB 4.39Å; N215-K218 PolarHBondContact O-N 3.33Å; N215-K218 WeakPolarHBondContact OD1-CD 3.45Å; K218-Y222 WeakPolarHBondContact O-CB 3.34Å; K218-Y222 PolarHBondContact O-N 3.31Å
219	A	78.8	Confident	73.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-49.8	176	0	0	0	0	0	112	I186 L211 F212 N215 P216 S217 F223	I186-A219 HydrophobicContact CG2-CB 4.14Å; L211-A219 HydrophobicContact CD2-CB 4.36Å; L211-A219 HydrophobicContact CG-CB 4.34Å; F212-A219 HydrophobicContact CD2-CB 4.29Å; N215-A219 PolarHBondContact O-N 3.19Å; P216-A219 PolarHBondContact O-N 2.76Å; S217-A219 PolarHBondContact O-N 3.25Å; A219-F223 WeakPolarHBondContact O-CB 3.37Å; A219-F223 PolarHBondContact O-N 3.35Å; A219-F223 VanDerWaalsContact O-N 3.09Å
220	R	81.5	Confident	72.3	Confident	120 Å²	120	63.6 Å²	63.6	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-40.6	178.5	-68.3	175.3	-170.5	-178.6	6.4	112.4	I186 F212 P216 S217 F223 R224	I186-R220 HydrophobicContact CD1-CG 4.32Å; F212-R220 HydrophobicContact CE2-CG 4.24Å; P216-R220 VanDerWaalsContact O-CG 3.31Å; P216-R220 WeakPolarHBondContact O-CG 3.25Å; P216-R220 PolarHBondContact O-N 2.76Å; S217-R220 PolarHBondContact O-N 2.81Å; R220-F223 PolarHBondContact O-N 3.44Å; R220-R224 WeakPolarHBondContact O-CG 3.18Å; R220-R224 PolarHBondContact O-N 2.87Å
221	A	79.8	Confident	70.8	Confident	51 Å²	51	66.5 Å²	66.5	42%	0.421	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-45.7	178.7	0	0	0	0	0	112.7	S217 F223 R224 T225	S217-A221 WeakPolarHBondContact O-CB 3.31Å; S217-A221 PolarHBondContact O-N 3.13Å; A221-F223 VanDerWaalsContact C-N 3.31Å; A221-F223 PolarHBondContact O-N 3.05Å; A221-R224 PolarHBondContact O-N 2.9Å; A221-T225 PolarHBondContact O-N 3.33Å; A221-T225 VanDerWaalsContact O-N 3.15Å; A221-T225 PolarHBondContact O-OG1 3.1Å
222	Y	83.3	Confident	68.9	Low	63 Å²	63	70 Å²	70	25%	0.247	35%	0.354	C	S	.	.	H	α-helix	trans	-60.4	-41.1	174.7	179.9	-89.3	0	0	0	111.5	I157 G159 N160 Y191 K218 T225 K226	I157-Y222 HydrophobicContact CB-CD2 3.94Å; I157-Y222 HydrophobicContact CB-CE2 4.24Å; I157-Y222 HydrophobicContact CB-CG 4.4Å; I157-Y222 HydrophobicContact CD1-CD2 4.5Å; I157-Y222 HydrophobicContact CD1-CG 4.18Å; I157-Y222 HydrophobicContact CG2-CD1 4.28Å; I157-Y222 HydrophobicContact CG2-CD2 3.67Å; I157-Y222 HydrophobicContact CG2-CE1 4.24Å; I157-Y222 HydrophobicContact CG2-CE2 3.61Å; I157-Y222 HydrophobicContact CG2-CG 4.02Å; G159-Y222 WeakPolarHBondContact CA-OH 3.48Å; N160-Y222 HydrophobicContact CB-CE1 4.3Å; Y191-Y222 HydrophobicContact CD1-CD1 4.43Å; Y191-Y222 HydrophobicContact CD1-CE1 4.37Å; Y191-Y222 AromaticContact CE1-CD1 3.97Å; Y191-Y222 HydrophobicContact CE1-CD1 3.97Å; Y191-Y222 HydrophobicContact CE1-CE1 4.08Å; K218-Y222 WeakPolarHBondContact O-CB 3.34Å; K218-Y222 PolarHBondContact O-N 3.31Å; Y222-T225 PolarHBondContact O-N 2.74Å; Y222-K226 PolarHBondContact O-N 3.43Å
223	F	78.4	Confident	67.2	Low	27 Å²	27	72.7 Å²	72.7	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-65.6	-45.5	179.2	-160.5	-100.8	0	0	0	113	E185 I186 A219 R220 A221 T225 K226 Q227	E185-F223 HydrophobicContact CB-CE2 4.17Å; E185-F223 HydrophobicContact CB-CZ 3.73Å; E185-F223 WeakPolarHBondContact OE2-CZ 3.41Å; I186-F223 HydrophobicContact CD1-CG 4.46Å; I186-F223 HydrophobicContact CG1-CD1 4.39Å; I186-F223 HydrophobicContact CG1-CD2 4.04Å; I186-F223 HydrophobicContact CG1-CE2 4.33Å; I186-F223 HydrophobicContact CG1-CG 4.08Å; A219-F223 WeakPolarHBondContact O-CB 3.37Å; A219-F223 PolarHBondContact O-N 3.35Å; A219-F223 VanDerWaalsContact O-N 3.09Å; R220-F223 PolarHBondContact O-N 3.44Å; A221-F223 VanDerWaalsContact C-N 3.31Å; A221-F223 PolarHBondContact O-N 3.05Å; F223-T225 VanDerWaalsContact C-N 3.28Å; F223-T225 PolarHBondContact O-N 2.97Å; F223-K226 WeakPolarHBondContact O-CB 3.38Å; F223-K226 PolarHBondContact O-N 3.15Å; F223-K226 VanDerWaalsContact O-N 3.15Å; F223-Q227 HydrophobicContact CD1-CG 4.42Å; F223-Q227 HydrophobicContact CE1-CG 4.3Å; F223-Q227 PolarHBondContact O-N 2.96Å
224	R	75.9	Confident	65.4	Low	174 Å²	174	73.8 Å²	73.8	66%	0.657	37%	0.371	S	S	*	.	H	α-helix	trans	-57.7	-39.4	174.1	-74.3	173.8	173.9	178.1	-3.2	112.5	R220 A221 K228	R220-R224 WeakPolarHBondContact O-CG 3.18Å; R220-R224 PolarHBondContact O-N 2.87Å; A221-R224 PolarHBondContact O-N 2.9Å; R224-K228 PolarHBondContact O-N 3.45Å
225	T	76.2	Confident	63.6	Low	45 Å²	45	76.1 Å²	76.1	28%	0.276	38%	0.383	S	S	.	.	H	α-helix	trans	-67.8	-42	176.9	-52.8	0	0	0	0	111	I46 A221 Y222 F223 Q227 K228 T229	I46-T225 HydrophobicContact CG2-CG2 4.39Å; A221-T225 PolarHBondContact O-N 3.33Å; A221-T225 VanDerWaalsContact O-N 3.15Å; A221-T225 PolarHBondContact O-OG1 3.1Å; Y222-T225 PolarHBondContact O-N 2.74Å; F223-T225 VanDerWaalsContact C-N 3.28Å; F223-T225 PolarHBondContact O-N 2.97Å; T225-Q227 PolarHBondContact O-N 2.58Å; T225-K228 PolarHBondContact O-N 2.84Å; T225-T229 PolarHBondContact O-N 2.88Å; T225-T229 PolarHBondContact O-OG1 3.42Å
226	K	73.7	Confident	61.4	Low	85 Å²	85	79.3 Å²	79.3	37%	0.37	40%	0.404	S	S	.	.	H	α-helix	trans	-59.7	-43.6	176.4	-170.3	173.4	-177.2	176	0	112.3	N160 Y222 F223 K228 T229 S230	N160-K226 PolarHBondContact OD1-NZ 3.49Å; Y222-K226 PolarHBondContact O-N 3.43Å; F223-K226 WeakPolarHBondContact O-CB 3.38Å; F223-K226 PolarHBondContact O-N 3.15Å; F223-K226 VanDerWaalsContact O-N 3.15Å; K226-K228 VanDerWaalsContact C-N 3.35Å; K226-K228 PolarHBondContact O-N 2.71Å; K226-T229 WeakPolarHBondContact CA-OG1 3.47Å; K226-T229 PolarHBondContact O-N 2.91Å; K226-T229 PolarHBondContact O-OG1 2.86Å; K226-S230 PolarHBondContact O-N 2.85Å; K226-S230 PolarHBondContact O-OG 3.4Å
227	Q	66.5	Low	58.9	Low	96 Å²	96	85 Å²	85	45%	0.449	43%	0.432	S	S	.	.	H	α-helix	trans	-59.8	-40.6	176.9	-73.9	177.9	-31.1	0	0	112.7	F223 T225 S230 N231	F223-Q227 HydrophobicContact CD1-CG 4.42Å; F223-Q227 HydrophobicContact CE1-CG 4.3Å; F223-Q227 PolarHBondContact O-N 2.96Å; T225-Q227 PolarHBondContact O-N 2.58Å; Q227-S230 WeakPolarHBondContact CA-OG 3.42Å; Q227-S230 PolarHBondContact O-N 3.19Å; Q227-S230 PolarHBondContact O-OG 2.96Å; Q227-N231 VanDerWaalsContact O-CG 3.27Å; Q227-N231 PolarHBondContact O-N 3.4Å; Q227-N231 PolarHBondContact O-OD1 2.76Å
228	K	59.2	Low	56.6	Low	111 Å²	111	85.9 Å²	85.9	48%	0.483	44%	0.438	S	S	.	.	H	α-helix	trans	-62.2	-47.6	175	-70	179.9	176.2	-175.4	0	111.7	R224 T225 K226 S230 N231 Q232	R224-K228 PolarHBondContact O-N 3.45Å; T225-K228 PolarHBondContact O-N 2.84Å; K226-K228 VanDerWaalsContact C-N 3.35Å; K226-K228 PolarHBondContact O-N 2.71Å; K228-S230 PolarHBondContact O-N 3.24Å; K228-N231 PolarHBondContact O-N 3.44Å; K228-Q232 PolarHBondContact O-N 2.79Å
229	T	55.8	Low	54	Low	14 Å²	14	88.4 Å²	88.4	9%	0.086	46%	0.462	C	S	.	.	H	α-helix	trans	-66	-34.4	177.7	45.8	0	0	0	0	114	Y44 S45 T225 K226 N231 N233	Y44-T229 HydrophobicContact CD1-CG2 4.28Å; S45-T229 WeakPolarHBondContact O-CG2 3.37Å; T225-T229 PolarHBondContact O-N 2.88Å; T225-T229 PolarHBondContact O-OG1 3.42Å; K226-T229 WeakPolarHBondContact CA-OG1 3.47Å; K226-T229 PolarHBondContact O-N 2.91Å; K226-T229 PolarHBondContact O-OG1 2.86Å; T229-N231 VanDerWaalsContact C-N 3.32Å; T229-N231 PolarHBondContact O-N 3.49Å; T229-N233 WeakPolarHBondContact O-CB 3.48Å; T229-N233 PolarHBondContact O-N 3.03Å; T229-N233 VanDerWaalsContact O-N 3.17Å
230	S	47.1	Very low	51.5	Low	56 Å²	56	96.1 Å²	96.1	39%	0.392	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-33.3	176.7	51.3	0	0	0	0	112.6	K226 Q227 K228	K226-S230 PolarHBondContact O-N 2.85Å; K226-S230 PolarHBondContact O-OG 3.4Å; Q227-S230 WeakPolarHBondContact CA-OG 3.42Å; Q227-S230 PolarHBondContact O-N 3.19Å; Q227-S230 PolarHBondContact O-OG 2.96Å; K228-S230 PolarHBondContact O-N 3.24Å
231	N	38.1	Very low	48.8	Very low	106 Å²	106	95.3 Å²	95.3	57%	0.567	50%	0.5	S	S	*	.	H	α-helix	trans	-72.9	-39.5	178.5	-66.3	2.1	0	0	0	111.3	Q227 K228 T229 N233 L234	Q227-N231 VanDerWaalsContact O-CG 3.27Å; Q227-N231 PolarHBondContact O-N 3.4Å; Q227-N231 PolarHBondContact O-OD1 2.76Å; K228-N231 PolarHBondContact O-N 3.44Å; T229-N231 VanDerWaalsContact C-N 3.32Å; T229-N231 PolarHBondContact O-N 3.49Å; N231-N233 PolarHBondContact O-N 3.32Å; N231-L234 PolarHBondContact O-N 2.9Å
232	Q	37.8	Very low	46.1	Very low	75 Å²	75	97.7 Å²	97.7	35%	0.35	51%	0.513	S	S	.	.	H	α-helix	trans	-65.6	-35.7	175.9	-69.9	-175	-32.1	0	0	113	S45 H47 K228 L234	S45-Q232 PolarHBondContact O-OE1 2.79Å; H47-Q232 PolarHBondContact CD2-NE2 3.05Å; H47-Q232 PolarHBondContact CD2-OE1 3.33Å; H47-Q232 PolarHBondContact NE2-NE2 2.95Å; K228-Q232 PolarHBondContact O-N 2.79Å; Q232-L234 PolarHBondContact O-N 2.94Å
233	N	37.2	Very low	43.3	Very low	75 Å²	75	100.7 Å²	100.7	40%	0.401	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.5	-179.9	-74.3	-5.5	0	0	0	114.7	T229 N231	T229-N233 WeakPolarHBondContact O-CB 3.48Å; T229-N233 PolarHBondContact O-N 3.03Å; T229-N233 VanDerWaalsContact O-N 3.17Å; N231-N233 PolarHBondContact O-N 3.32Å
234	L	32.1	Very low	40.6	Very low	130 Å²	130	105.8 Å²	105.8	68%	0.681	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-19.8	178.5	-80.2	164.1	0	0	0	114	N231 Q232	N231-L234 PolarHBondContact O-N 2.9Å; Q232-L234 PolarHBondContact O-N 2.94Å
235	N	30.8	Very low	38.3	Very low	127 Å²	127	105.5 Å²	105.5	68%	0.679	58%	0.575	S	S	*	*	S	Bend	trans	-98.5	-0.8	-174.4	-73.8	-7.3	0	0	0	114.6
236	T	27.8	Very low	35.8	Very low	101 Å²	101	110 Å²	110	62%	0.62	59%	0.592	S	S	*	*			trans	-122.5	75	-172.5	45	0	0	0	0	113.6	S238	T236-S238 VanDerWaalsContact C-N 3.35Å; T236-S238 PolarHBondContact O-N 3.1Å
237	N	24.1	Very low	33.3	Very low	170 Å²	170	112.7 Å²	112.7	91%	0.909	62%	0.621	S	S	*	*			trans	-73.5	78.4	174.8	-87.4	-63.1	0	0	0	112.9
238	S	26.2	Very low	31.2	Very low	101 Å²	101	112.3 Å²	112.3	71%	0.706	63%	0.628	S	S	*	*			trans	-138.6	136.1	159.8	74.5	0	0	0	0	111.5	T236	T236-S238 VanDerWaalsContact C-N 3.35Å; T236-S238 PolarHBondContact O-N 3.1Å
239	P	24.6	Very low	29.5	Very low	129 Å²	129	115.8 Å²	115.8	84%	0.838	65%	0.647	S	S	*	*			trans	-96.8	107.5	-159.1	34.8	-34.4	0	0	0	114.4
240	K	25.1	Very low	28	Very low	163 Å²	163	124 Å²	124	71%	0.709	69%	0.686	S	S	*	*			trans	-129.3	89.3	158.8	-74.1	-171.9	178.2	176.6	0	112.4	V42	V42-K240 VanDerWaalsContact CG1-O 3.31Å; V42-K240 WeakPolarHBondContact CG1-O 3.47Å; V42-K240 WeakPolarHBondContact CG2-O 3.49Å
241	L	24.9	Very low	27	Very low	102 Å²	102	130.1 Å²	130.1	53%	0.534	71%	0.709	S	S	.	*			trans	44.8	100.1	156.2	-64	105	0	0	0	120.6	Q40	Q40-L241 HydrophobicContact CG-CB 4.37Å; Q40-L241 HydrophobicContact CG-CD1 4.16Å
242	S	23.2	Very low	26.3	Very low	101 Å²	101	133.3 Å²	133.3	71%	0.706	73%	0.726	S	S	*	*			trans	-89.4	130.1	152.7	54.4	0	0	0	0	111.5	N244	S242-N244 VanDerWaalsContact C-N 3.27Å; S242-N244 PolarHBondContact O-N 2.92Å
243	P	24.4	Very low	25.7	Very low	127 Å²	127	133.2 Å²	133.2	83%	0.825	74%	0.744	S	S	*	*	S	Bend	trans	-83	64	176.5	34.6	-35.8	0	0	0	111.9
244	N	23.1	Very low	25.1	Very low	133 Å²	133	136.8 Å²	136.8	71%	0.711	76%	0.764	S	S	*	*			trans	-149.2	72.6	179.5	-92.8	-36.7	0	0	0	112	S242	S242-N244 VanDerWaalsContact C-N 3.27Å; S242-N244 PolarHBondContact O-N 2.92Å
245	H	26.2	Very low	24.9	Very low	169 Å²	169	135.7 Å²	135.7	78%	0.782	76%	0.755	S	S	*	*	S	Bend	trans	-153.8	146	153.5	-116.3	-94.9	0	0	0	110.2
246	E	23.6	Very low	24.8	Very low	138 Å²	138	134 Å²	134	65%	0.645	75%	0.746	S	S	*	*			trans	47.9	95.3	160.8	-73.7	148.8	-130	0	0	119.6
247	C	22.2	Very low	24.7	Very low	143 Å²	143	137.4 Å²	137.4	97%	0.966	75%	0.752	S	S	*	*			trans	-127.2	53.1	138.4	-171.6	0	0	0	0	110.2
248	S	22.2	Very low	25.4	Very low	87 Å²	87	132.4 Å²	132.4	61%	0.608	74%	0.741	S	S	*	*	S	Bend	trans	-141.1	113.1	169.6	57.7	0	0	0	0	109.2
249	Q	23.3	Very low	25.7	Very low	185 Å²	185	134 Å²	134	86%	0.864	75%	0.749	S	S	*	*			trans	69.5	85.9	169.7	-56.8	173.1	-5.6	0	0	116.6
250	M	25	Very low	26	Very low	186 Å²	186	136.6 Å²	136.6	92%	0.916	75%	0.75	S	S	*	*				-119.6	146.9	125	-72.8	-163.2	175.8	0	0	108.3
251	E	24.4	Very low	26.1	Very low	185 Å²	185	137 Å²	137	86%	0.864	76%	0.758	S	S	*	*			trans	-103.5	134.1	-167.8	-58.6	178.6	126.4	0	0	111
252	D	24.4	Very low	26	Very low	173 Å²	173	141 Å²	141	93%	0.925	77%	0.771	S	S	*	*			trans	-145.3	139	148.5	-103.9	-41.9	0	0	0	107.4
253	G	24.3	Very low	26.4	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	78%	0.778	S	S	*	*			trans	-78.4	152.8	-149.7	0	0	0	0	0	117.2
254	D	24.7	Very low	26.4	Very low	151 Å²	151	143.4 Å²	143.4	81%	0.807	78%	0.778	S	S	*	*				-160.6	168.2	101.9	-127.9	-34	0	0	0	115.7
255	H	27.9	Very low	26.6	Very low	106 Å²	106	144.1 Å²	144.1	49%	0.491	78%	0.781	S	S	.	*			trans	-64.2	125.3	-155.8	-78.6	-67.3	0	0	0	122.6	S1303	H255-S1303 PolarHBondContact CE1-O 3.07Å
256	D	28.6	Very low	26.5	Very low	93 Å²	93	143.6 Å²	143.6	50%	0.497	78%	0.783	S	S	.	*				55.8	105.8	110.1	-169.1	33.6	0	0	0	120.2
257	K	26.1	Very low	26.6	Very low	171 Å²	171	143.8 Å²	143.8	74%	0.743	79%	0.789	S	S	*	*				171.9	134.1	106.4	-90	-173.9	-169.6	-153.3	0	117.4
258	G	39.2	Very low	26.7	Very low	66 Å²	66	144 Å²	144	68%	0.68	78%	0.78	S	S	*	*			trans	-86.8	-162.2	155	0	0	0	0	0	112.8
259	P	31.6	Very low	26.9	Very low	134 Å²	134	146.5 Å²	146.5	87%	0.87	79%	0.793	S	S	*	*			cis	-143.5	-174.6	48.3	41.9	-22.8	0	0	0	116.5
260	Q	31.3	Very low	27	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	79%	0.793	S	S	*	*			trans	-75	161.1	177.2	-58.5	169.7	-48.6	0	0	114.3
261	I	27	Very low	27	Very low	170 Å²	170	141.2 Å²	141.2	87%	0.872	79%	0.788	S	S	*	*			trans	-127.2	154.5	145.4	-66.8	-174.3	0	0	0	108.7
262	K	24.1	Very low	26.9	Very low	186 Å²	186	141.6 Å²	141.6	81%	0.809	79%	0.787	S	S	*	*			trans	-76.9	173.9	-164.8	-57.3	173.1	177.5	178.4	0	115.2
263	D	31.5	Very low	26.8	Very low	162 Å²	162	139.4 Å²	139.4	87%	0.866	78%	0.784	S	S	*	*			trans	-58.1	143.7	170.1	-31	-97.2	0	0	0	113.7
264	S	23.3	Very low	26.7	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	78%	0.781	S	S	*	*			trans	-159.1	132.6	149	60.2	0	0	0	0	110.9
265	I	28.7	Very low	26.7	Very low	148 Å²	148	141.7 Å²	141.7	76%	0.759	78%	0.783	S	S	*	*			trans	-60.3	143.8	175.4	-62	155.9	0	0	0	111.1
266	N	23	Very low	26.6	Very low	157 Å²	157	143.1 Å²	143.1	84%	0.84	80%	0.799	S	S	*	*			trans	-176.2	152.5	133.9	-92.1	-10.2	0	0	0	111.6
267	D	26.2	Very low	26.4	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	81%	0.807	S	S	*	*			trans	-82.2	-176.5	-175.5	-64.3	-72.5	0	0	0	114.6
268	D	24.4	Very low	26.5	Very low	147 Å²	147	136 Å²	136	79%	0.786	79%	0.788	S	S	*	*			trans	62.4	105.4	162	-68.8	-32.1	0	0	0	119.3
269	T	24.9	Very low	26.1	Very low	141 Å²	141	137.8 Å²	137.8	87%	0.865	78%	0.777	S	S	*	*				-167.3	138.8	98.9	17.1	0	0	0	0	112.9
270	T	26.5	Very low	25.9	Very low	142 Å²	142	137.3 Å²	137.3	87%	0.871	77%	0.767	S	S	*	*			trans	-88.3	137.2	176.6	48.2	0	0	0	0	111.9
271	S	23.9	Very low	25.9	Very low	117 Å²	117	132.9 Å²	132.9	82%	0.818	75%	0.752	S	S	*	*			trans	-161.8	98.8	159.1	34.9	0	0	0	0	115
272	K	23.5	Very low	25.9	Very low	194 Å²	194	129.9 Å²	129.9	84%	0.843	74%	0.742	S	S	*	*			trans	1.5	127.6	149.5	-58.7	172.1	178.4	178.6	0	118.7
273	C	21.9	Very low	26.3	Very low	127 Å²	127	127 Å²	127	86%	0.858	74%	0.735	S	S	*	*				-165.3	85.6	125.3	-97	0	0	0	0	112.1
274	V	23.2	Very low	26.5	Very low	113 Å²	113	121.5 Å²	121.5	69%	0.685	71%	0.707	S	S	*	*				28.1	112.6	108	-173.8	0	0	0	0	117.2
275	N	25	Very low	27.1	Very low	157 Å²	157	118.4 Å²	118.4	84%	0.84	69%	0.685	S	S	*	*				-158.8	145.9	121.2	-101.6	-20.9	0	0	0	109.9
276	T	24.1	Very low	27.6	Very low	137 Å²	137	115.7 Å²	115.7	84%	0.84	67%	0.669	S	S	*	*			trans	-102.9	147.2	-168.3	44.7	0	0	0	0	112.7
277	G	24.3	Very low	28.3	Very low	64 Å²	64	108.4 Å²	108.4	66%	0.66	63%	0.631	S	S	*	*			trans	163.2	96.4	174	0	0	0	0	0	115.7
278	S	29.3	Very low	28.9	Very low	49 Å²	49	105.9 Å²	105.9	34%	0.343	62%	0.624	S	S	.	*			trans	58.3	85.8	169.7	39.9	0	0	0	0	116.1	L280 T281 R353	S278-L280 VanDerWaalsContact C-N 3.29Å; S278-L280 PolarHBondContact O-N 3.42Å; S278-T281 PolarHBondContact O-OG1 3.45Å; S278-R353 PolarHBondContact OG-NH2 2.97Å
279	K	31.1	Very low	29.7	Very low	105 Å²	105	103 Å²	103	46%	0.457	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-72.1	-16.2	170.8	-73.1	172.9	179.7	169.8	0	114.2	E123 T281 T282	E123-K279 IonicContact OE1-NZ 3.61Å; E123-K279 PolarHBondContact OE1-NZ 3.29Å; E123-K279 IonicContact OE2-NZ 3.88Å; E123-K279 PolarHBondContact OE2-NZ 3.45Å; K279-T281 PolarHBondContact O-N 2.95Å; K279-T281 VanDerWaalsContact O-N 3.08Å; K279-T282 WeakPolarHBondContact O-CB 3.44Å; K279-T282 PolarHBondContact O-N 2.92Å; K279-T282 PolarHBondContact O-OG1 3.21Å
280	L	27.3	Very low	30.8	Very low	123 Å²	123	97.7 Å²	97.7	64%	0.644	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-61.6	-20.2	-174.3	-135.6	154.9	0	0	0	114	W151 S278 T282	W151-L280 HydrophobicContact CH2-CD1 4.45Å; W151-L280 HydrophobicContact CH2-CD2 4Å; W151-L280 HydrophobicContact CZ3-CD2 4.01Å; S278-L280 VanDerWaalsContact C-N 3.29Å; S278-L280 PolarHBondContact O-N 3.42Å; L280-T282 PolarHBondContact O-N 3.22Å
281	T	29.7	Very low	31.5	Very low	91 Å²	91	98.8 Å²	98.8	56%	0.558	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-70.4	-10.3	173.6	48.5	0	0	0	0	114.6	S278 K279 L283	S278-T281 PolarHBondContact O-OG1 3.45Å; K279-T281 PolarHBondContact O-N 2.95Å; K279-T281 VanDerWaalsContact O-N 3.08Å; T281-L283 VanDerWaalsContact C-N 3.34Å; T281-L283 PolarHBondContact O-N 2.79Å
282	T	27.9	Very low	32.5	Very low	108 Å²	108	96.2 Å²	96.2	66%	0.663	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-76.5	-17.6	-169	-42.1	0	0	0	0	113.9	K279 L280 V284	K279-T282 WeakPolarHBondContact O-CB 3.44Å; K279-T282 PolarHBondContact O-N 2.92Å; K279-T282 PolarHBondContact O-OG1 3.21Å; L280-T282 PolarHBondContact O-N 3.22Å; T282-V284 VanDerWaalsContact C-N 3.34Å; T282-V284 PolarHBondContact O-N 2.77Å
283	L	32	Very low	33.7	Very low	125 Å²	125	91.3 Å²	91.3	65%	0.654	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-72.6	-21.9	177.9	-78.1	164	0	0	0	113.8	T281	T281-L283 VanDerWaalsContact C-N 3.34Å; T281-L283 PolarHBondContact O-N 2.79Å
284	V	35.2	Very low	35.1	Very low	47 Å²	47	88.1 Å²	88.1	29%	0.285	51%	0.506	S	S	.	.	S	Bend	trans	-104.6	88.1	176.6	-177.9	0	0	0	0	109.3	A204 T282 H286	A204-V284 HydrophobicContact CB-CG1 3.99Å; T282-V284 VanDerWaalsContact C-N 3.34Å; T282-V284 PolarHBondContact O-N 2.77Å; V284-H286 PolarHBondContact O-N 3.11Å
285	S	36.9	Very low	36.6	Very low	52 Å²	52	83.7 Å²	83.7	36%	0.364	48%	0.478	S	S	.	.			trans	-83	82.2	-174.3	48.8	0	0	0	0	112.6	K167	K167-S285 PolarHBondContact NZ-O 2.97Å; K167-S285 PolarHBondContact NZ-OG 3.01Å
286	H	38.7	Very low	37.9	Very low	92 Å²	92	79.4 Å²	79.4	43%	0.426	46%	0.455	S	S	.	.			trans	-36.9	139.8	168.1	-70.5	-71.9	0	0	0	113	V284 E290	V284-H286 PolarHBondContact O-N 3.11Å; H286-E290 IonicContact CE1-OE2 2.71Å; H286-E290 IonicContact CG-OE2 3.84Å; H286-E290 IonicContact ND1-OE2 2.71Å; H286-E290 PolarHBondContact ND1-OE2 2.95Å
287	S	38.5	Very low	39.2	Very low	4 Å²	4	76.1 Å²	76.1	3%	0.028	43%	0.432	C	S	.	.			trans	-65.4	147.1	175.3	-169.5	0	0	0	0	110.5	E289 E290 Y326	S287-E289 PolarHBondContact O-N 2.96Å; S287-E289 PolarHBondContact OG-OE2 3.15Å; S287-E290 VanDerWaalsContact CB-OE1 3.28Å; S287-E290 WeakPolarHBondContact CB-OE1 3.45Å; S287-E290 PolarHBondContact N-OE1 2.86Å; S287-E290 WeakPolarHBondContact O-CA 3.44Å; S287-E290 VanDerWaalsContact O-CB 3.28Å; S287-E290 WeakPolarHBondContact O-CB 3.2Å; S287-E290 PolarHBondContact O-N 2.96Å; S287-Y326 WeakPolarHBondContact CB-OH 3.45Å
288	S	37.9	Very low	40	Very low	88 Å²	88	78 Å²	78	62%	0.615	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-10	171.8	59	0	0	0	0	113.5
289	E	42.4	Very low	40.7	Very low	88 Å²	88	81.4 Å²	81.4	41%	0.411	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-29.1	167.7	-63.3	167.4	137.7	0	0	111.9	S287 E291 S292 R329	S287-E289 PolarHBondContact O-N 2.96Å; S287-E289 PolarHBondContact OG-OE2 3.15Å; E289-E291 VanDerWaalsContact C-N 3.31Å; E289-E291 PolarHBondContact O-N 3.23Å; E289-S292 PolarHBondContact O-N 2.94Å; E289-S292 PolarHBondContact O-OG 3.44Å; E289-R329 IonicContact OE1-NH1 3.5Å
290	E	47.4	Very low	41.4	Very low	28 Å²	28	83.3 Å²	83.3	13%	0.131	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.9	-177.9	-63.2	166.3	-134.2	0	0	112.9	H286 S287 S292 R323 Y326	H286-E290 IonicContact CE1-OE2 2.71Å; H286-E290 IonicContact CG-OE2 3.84Å; H286-E290 IonicContact ND1-OE2 2.71Å; H286-E290 PolarHBondContact ND1-OE2 2.95Å; S287-E290 VanDerWaalsContact CB-OE1 3.28Å; S287-E290 WeakPolarHBondContact CB-OE1 3.45Å; S287-E290 PolarHBondContact N-OE1 2.86Å; S287-E290 WeakPolarHBondContact O-CA 3.44Å; S287-E290 VanDerWaalsContact O-CB 3.28Å; S287-E290 WeakPolarHBondContact O-CB 3.2Å; S287-E290 PolarHBondContact O-N 2.96Å; E290-S292 PolarHBondContact O-N 2.67Å; E290-R323 IonicContact OE2-NH1 2.77Å; E290-Y326 HydrophobicContact CG-CE1 3.97Å; E290-Y326 PolarHBondContact OE1-OH 2.94Å
291	E	41.9	Very low	42.3	Very low	166 Å²	166	81.2 Å²	81.2	78%	0.776	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6	172.1	-58.9	-170.5	131.9	0	0	112.7	E289 D293	E289-E291 VanDerWaalsContact C-N 3.31Å; E289-E291 PolarHBondContact O-N 3.23Å; E291-D293 VanDerWaalsContact C-N 3.31Å; E291-D293 PolarHBondContact O-N 3.01Å
292	S	43.9	Very low	42.9	Very low	63 Å²	63	80.4 Å²	80.4	44%	0.441	44%	0.44	S	S	.	.			trans	-90.4	54	179.4	71.3	0	0	0	0	113.3	E289 E290 D294	E289-S292 PolarHBondContact O-N 2.94Å; E289-S292 PolarHBondContact O-OG 3.44Å; E290-S292 PolarHBondContact O-N 2.67Å; S292-D294 PolarHBondContact O-N 2.93Å
293	D	48.8	Very low	43.7	Very low	91 Å²	91	84.6 Å²	84.6	49%	0.487	45%	0.449	S	S	.	.			trans	-66.5	71.7	176.3	-79	-36.7	0	0	0	112.4	E291	E291-D293 VanDerWaalsContact C-N 3.31Å; E291-D293 PolarHBondContact O-N 3.01Å
294	D	52.5	Low	44.2	Very low	59 Å²	59	84.1 Å²	84.1	32%	0.316	45%	0.447	S	S	.	.			trans	-91.3	-2.7	179.2	-150.7	29.6	0	0	0	112	S292 N297 K300	S292-D294 PolarHBondContact O-N 2.93Å; D294-N297 PolarHBondContact OD1-ND2 3.13Å; D294-K300 IonicContact OD1-NZ 3.97Å; D294-K300 IonicContact OD2-NZ 2.87Å; D294-K300 PolarHBondContact OD2-NZ 3.47Å
295	E	53.3	Low	44.7	Very low	20 Å²	20	84.1 Å²	84.1	9%	0.093	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-36.1	179.2	-56.1	-154.5	170.8	0	0	112.8	N297 G321 S322 R323 R324	E295-N297 PolarHBondContact O-N 3.28Å; E295-G321 WeakPolarHBondContact OE1-CA 3.5Å; E295-S322 PolarHBondContact OE1-N 2.65Å; E295-R323 WeakPolarHBondContact OE1-CA 3.21Å; E295-R323 WeakPolarHBondContact OE1-CB 3.23Å; E295-R323 PolarHBondContact OE1-N 2.99Å; E295-R324 PolarHBondContact OE1-N 3.27Å
296	D	53.4	Low	45.2	Very low	67 Å²	67	88.8 Å²	88.8	36%	0.358	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.6	-179.2	-90.3	4.2	0	0	0	113.9	L298 R432	D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 2.61Å; D296-R432 WeakPolarHBondContact OD1-CB 3.29Å; D296-R432 WeakPolarHBondContact OD1-CD 3.27Å; D296-R432 WeakPolarHBondContact OD1-CG 3.49Å; D296-R432 IonicContact OD2-NE 2.92Å
297	N	49.6	Very low	45.6	Very low	68 Å²	68	89.6 Å²	89.6	36%	0.364	48%	0.475	S	S	.	.			trans	-77.9	72.9	178.6	-85.8	-36.3	0	0	0	112	D294 E295 S299 K300	D294-N297 PolarHBondContact OD1-ND2 3.13Å; E295-N297 PolarHBondContact O-N 3.28Å; N297-S299 PolarHBondContact O-N 2.69Å; N297-K300 PolarHBondContact O-N 2.95Å
298	L	42.6	Very low	46.5	Very low	105 Å²	105	92.8 Å²	92.8	55%	0.55	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-44.8	-30.2	175.7	-74.6	161.2	0	0	0	114.4	D296 K300 W301	D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 2.61Å; L298-K300 PolarHBondContact O-N 3.48Å; L298-K300 VanDerWaalsContact O-N 3.16Å; L298-W301 PolarHBondContact O-N 2.93Å
299	S	44.1	Very low	47.5	Very low	119 Å²	119	89.7 Å²	89.7	83%	0.832	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-70.3	-4.3	179.7	63.6	0	0	0	0	115.6	N297	N297-S299 PolarHBondContact O-N 2.69Å
300	K	44.8	Very low	48.1	Very low	145 Å²	145	88.5 Å²	88.5	63%	0.63	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-89.2	-9.6	168.2	-88.5	-180	176.3	176	0	113.6	D294 N297 L298	D294-K300 IonicContact OD1-NZ 3.97Å; D294-K300 IonicContact OD2-NZ 2.87Å; D294-K300 PolarHBondContact OD2-NZ 3.47Å; N297-K300 PolarHBondContact O-N 2.95Å; L298-K300 PolarHBondContact O-N 3.48Å; L298-K300 VanDerWaalsContact O-N 3.16Å
301	W	46.2	Very low	48.6	Very low	80 Å²	80	90.9 Å²	90.9	30%	0.303	48%	0.477	S	S	.	.			trans	-102.2	124.6	-168.7	-62.5	68.5	0	0	0	110.4	L298 A305 W312 L433	L298-W301 PolarHBondContact O-N 2.93Å; W301-A305 HydrophobicContact CB-CB 4.39Å; W301-A305 HydrophobicContact CE3-CB 3.99Å; W301-W312 AromaticContact CH2-CE2 3.7Å; W301-W312 AromaticContact CH2-CZ2 3.68Å; W301-W312 HydrophobicContact CH2-CZ2 3.68Å; W301-W312 AromaticContact CH2-NE1 3.56Å; W301-W312 AromaticContact CZ3-NE1 3.68Å; W301-L433 HydrophobicContact CE3-CD1 4.41Å; W301-L433 HydrophobicContact CH2-CD1 3.24Å; W301-L433 HydrophobicContact CZ2-CD1 3.72Å; W301-L433 HydrophobicContact CZ3-CD1 3.64Å
302	S	42	Very low	49.2	Very low	73 Å²	73	84.6 Å²	84.6	51%	0.51	45%	0.446	S	S	.	.			trans	-70.4	166.3	176.8	-173.3	0	0	0	0	111.5	D304 A305	S302-D304 WeakPolarHBondContact CB-OD2 3.37Å; S302-D304 PolarHBondContact O-N 3.39Å; S302-D304 VanDerWaalsContact O-N 3.12Å; S302-D304 PolarHBondContact OG-OD2 3.47Å; S302-A305 VanDerWaalsContact O-CB 3.29Å; S302-A305 WeakPolarHBondContact O-CB 3.27Å; S302-A305 PolarHBondContact O-N 3.13Å; S302-A305 VanDerWaalsContact O-N 3.11Å
303	K	45.2	Very low	50	Low	196 Å²	196	81.6 Å²	81.6	85%	0.852	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-57.4	-22.4	171.6	-80.8	-172.6	168.8	-170.9	0	113.2	A305	K303-A305 PolarHBondContact O-N 3.16Å
304	D	43.3	Very low	50.4	Low	116 Å²	116	80.5 Å²	80.5	62%	0.62	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-63.4	-8.6	176.6	-34.9	-53.3	0	0	0	113.1	S302 E306 L307	S302-D304 WeakPolarHBondContact CB-OD2 3.37Å; S302-D304 PolarHBondContact O-N 3.39Å; S302-D304 VanDerWaalsContact O-N 3.12Å; S302-D304 PolarHBondContact OG-OD2 3.47Å; D304-E306 PolarHBondContact O-N 3.02Å; D304-L307 WeakPolarHBondContact O-CD1 3.3Å; D304-L307 WeakPolarHBondContact O-CG 3.26Å
305	A	45.5	Very low	50.5	Low	47 Å²	47	82.1 Å²	82.1	39%	0.388	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-79.8	17.2	179.9	0	0	0	0	0	115.2	W301 S302 K303	W301-A305 HydrophobicContact CB-CB 4.39Å; W301-A305 HydrophobicContact CE3-CB 3.99Å; S302-A305 VanDerWaalsContact O-CB 3.29Å; S302-A305 WeakPolarHBondContact O-CB 3.27Å; S302-A305 PolarHBondContact O-N 3.13Å; S302-A305 VanDerWaalsContact O-N 3.11Å; K303-A305 PolarHBondContact O-N 3.16Å
306	E	47	Very low	50.6	Low	149 Å²	149	85.4 Å²	85.4	70%	0.696	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-88.9	-4.4	168.8	-59.9	-157.1	120.2	0	0	113.6	D304	D304-E306 PolarHBondContact O-N 3.02Å
307	L	48.3	Very low	50.8	Low	110 Å²	110	85.7 Å²	85.7	58%	0.576	45%	0.454	S	S	*	.	S	Bend	trans	-56.2	161.6	171	-70	169.2	0	0	0	113	D304	D304-L307 WeakPolarHBondContact O-CD1 3.3Å; D304-L307 WeakPolarHBondContact O-CG 3.26Å
308	D	57.1	Low	51	Low	71 Å²	71	92.1 Å²	92.1	38%	0.38	48%	0.479	S	S	.	.			trans	-63.5	139.6	-173.3	-169.1	9.7	0	0	0	112.1	N310 E311 W312	D308-N310 PolarHBondContact O-N 3.04Å; D308-N310 PolarHBondContact OD1-N 3.42Å; D308-N310 PolarHBondContact OD1-ND2 2.89Å; D308-N310 WeakPolarHBondContact OD2-CB 3.35Å; D308-N310 PolarHBondContact OD2-ND2 3.49Å; D308-E311 HydrophobicContact CB-CG 4.34Å; D308-E311 PolarHBondContact O-N 3.47Å; D308-E311 VanDerWaalsContact O-N 3.08Å; D308-W312 PolarHBondContact O-N 3.3Å
309	V	57.3	Low	51.5	Low	22 Å²	22	95 Å²	95	13%	0.133	48%	0.483	C	S	.	.	H	α-helix	trans	-62.4	-31.1	175.4	179.5	0	0	0	0	110	W312 I313 H437	V309-W312 PolarHBondContact O-N 2.95Å; V309-I313 HydrophobicContact CG1-CD1 3.79Å; V309-I313 HydrophobicContact CG1-CG1 4.37Å; V309-I313 VanDerWaalsContact O-CG1 3.31Å; V309-I313 WeakPolarHBondContact O-CG1 3.34Å; V309-I313 PolarHBondContact O-N 3.02Å; V309-H437 WeakPolarHBondContact CB-ND1 3.33Å; V309-H437 HydrophobicContact CG1-CB 4.3Å; V309-H437 HydrophobicContact CG2-CB 4.18Å
310	N	56.2	Low	52.2	Low	64 Å²	64	89.6 Å²	89.6	34%	0.342	45%	0.445	S	S	.	.	H	α-helix	trans	-64.2	-41.1	173	-58	-55.4	0	0	0	112.1	D308 I313 A314	D308-N310 PolarHBondContact O-N 3.04Å; D308-N310 PolarHBondContact OD1-N 3.42Å; D308-N310 PolarHBondContact OD1-ND2 2.89Å; D308-N310 WeakPolarHBondContact OD2-CB 3.35Å; D308-N310 PolarHBondContact OD2-ND2 3.49Å; N310-I313 PolarHBondContact O-N 2.88Å; N310-A314 VanDerWaalsContact O-CB 3.24Å; N310-A314 WeakPolarHBondContact O-CB 3.49Å; N310-A314 PolarHBondContact O-N 3.48Å
311	E	57	Low	53	Low	78 Å²	78	83.2 Å²	83.2	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-67.6	-39.3	173.6	-67.9	-166.6	124.1	0	0	112.2	D308 I313 A314 N315	D308-E311 HydrophobicContact CB-CG 4.34Å; D308-E311 PolarHBondContact O-N 3.47Å; D308-E311 VanDerWaalsContact O-N 3.08Å; E311-I313 VanDerWaalsContact C-N 3.26Å; E311-I313 PolarHBondContact O-N 3.19Å; E311-A314 PolarHBondContact O-N 2.97Å; E311-N315 WeakPolarHBondContact O-CB 3.36Å; E311-N315 PolarHBondContact O-N 3.17Å
312	W	56.3	Low	54	Low	33 Å²	33	81 Å²	81	13%	0.125	42%	0.418	C	S	.	.	H	α-helix	trans	-62.3	-34.9	175.1	-177.2	73.2	0	0	0	111.9	W301 D308 V309 R324 L433	W301-W312 AromaticContact CH2-CE2 3.7Å; W301-W312 AromaticContact CH2-CZ2 3.68Å; W301-W312 HydrophobicContact CH2-CZ2 3.68Å; W301-W312 AromaticContact CH2-NE1 3.56Å; W301-W312 AromaticContact CZ3-NE1 3.68Å; D308-W312 PolarHBondContact O-N 3.3Å; V309-W312 PolarHBondContact O-N 2.95Å; W312-R324 PolarHBondContact O-NH1 3.41Å; W312-L433 HydrophobicContact CH2-CD1 4.41Å; W312-L433 HydrophobicContact CZ2-CD1 4.44Å
313	I	59.3	Low	55.2	Low	1 Å²	1	79.7 Å²	79.7	1%	0.005	40%	0.401	C	S	.	.	H	α-helix	trans	-84.6	-34.9	177.7	-55.3	170.8	0	0	0	112.7	V309 N310 E311 R324 S334 I338	V309-I313 HydrophobicContact CG1-CD1 3.79Å; V309-I313 HydrophobicContact CG1-CG1 4.37Å; V309-I313 VanDerWaalsContact O-CG1 3.31Å; V309-I313 WeakPolarHBondContact O-CG1 3.34Å; V309-I313 PolarHBondContact O-N 3.02Å; N310-I313 PolarHBondContact O-N 2.88Å; E311-I313 VanDerWaalsContact C-N 3.26Å; E311-I313 PolarHBondContact O-N 3.19Å; I313-R324 PolarHBondContact O-NH2 2.96Å; I313-S334 WeakPolarHBondContact CG2-O 3.41Å; I313-S334 PolarHBondContact O-OG 2.86Å; I313-I338 HydrophobicContact CB-CD1 3.92Å; I313-I338 HydrophobicContact CB-CG1 3.85Å; I313-I338 HydrophobicContact CD1-CG1 3.84Å; I313-I338 HydrophobicContact CG1-CG1 4.43Å; I313-I338 HydrophobicContact CG2-CD1 3.66Å; I313-I338 HydrophobicContact CG2-CG1 3.43Å; I313-I338 VanDerWaalsContact CG2-CG1 3.43Å
314	A	57.5	Low	56.5	Low	67 Å²	67	70.5 Å²	70.5	55%	0.554	36%	0.361	S	S	*	.	H	α-helix	trans	-73.3	-55	176.1	0	0	0	0	0	112.9	N310 E311	N310-A314 VanDerWaalsContact O-CB 3.24Å; N310-A314 WeakPolarHBondContact O-CB 3.49Å; N310-A314 PolarHBondContact O-N 3.48Å; E311-A314 PolarHBondContact O-N 2.97Å
315	N	55.7	Low	57.7	Low	93 Å²	93	70.7 Å²	70.7	50%	0.497	35%	0.353	S	S	.	.	H	α-helix	trans	-96.2	-16.9	-154	-62.9	-21.7	0	0	0	115	E311	E311-N315 WeakPolarHBondContact O-CB 3.36Å; E311-N315 PolarHBondContact O-N 3.17Å
316	Y	55.4	Low	59	Low	90 Å²	90	69.3 Å²	69.3	35%	0.353	34%	0.338	S	S	.	.			trans	-130.3	63.1	-165.2	-57.7	-70.5	0	0	0	116.2	K318 R319 A320	Y316-K318 PolarHBondContact O-N 2.87Å; Y316-K318 VanDerWaalsContact O-N 3.09Å; Y316-R319 CarbonylContact O-C 3.53Å; Y316-R319 PolarHBondContact O-N 3.29Å; Y316-A320 PolarHBondContact O-N 2.82Å
317	P	57.1	Low	60.6	Low	72 Å²	72	62.2 Å²	62.2	47%	0.468	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24	175.1	25.3	-34.7	0	0	0	113.8
318	K	53.8	Low	62.1	Low	203 Å²	203	59.4 Å²	59.4	88%	0.883	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-22.3	173.9	-68.2	179.7	-179.4	174.4	0	114.3	Y316	Y316-K318 PolarHBondContact O-N 2.87Å; Y316-K318 VanDerWaalsContact O-N 3.09Å
319	R	53.6	Low	63.1	Low	167 Å²	167	64.1 Å²	64.1	63%	0.63	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-5.6	174.2	-58.6	178.4	172.1	165	-5.7	112.8	Y316	Y316-R319 CarbonylContact O-C 3.53Å; Y316-R319 PolarHBondContact O-N 3.29Å
320	A	58.4	Low	64.1	Low	4 Å²	4	66 Å²	66	3%	0.033	31%	0.308	C	S	.	.	S	Bend	trans	-60.6	146.6	171.9	0	0	0	0	0	111.1	Y316 R324 R325	Y316-A320 PolarHBondContact O-N 2.82Å; A320-R324 HydrophobicContact CB-CB 4.3Å; A320-R324 HydrophobicContact CB-CG 4.11Å; A320-R325 HydrophobicContact CB-CG 3.96Å; A320-R325 WeakPolarHBondContact O-CD 3.34Å; A320-R325 PolarHBondContact O-NE 3.24Å
321	G	62.1	Low	64.9	Low	11 Å²	11	65.6 Å²	65.6	11%	0.113	32%	0.318	C	S	.	.			trans	-67.7	177.3	-179	0	0	0	0	0	114.2	E295 R325	E295-G321 WeakPolarHBondContact OE1-CA 3.5Å; G321-R325 WeakPolarHBondContact O-CB 3.44Å; G321-R325 WeakPolarHBondContact O-CG 3.36Å; G321-R325 PolarHBondContact O-N 3.02Å; G321-R325 PolarHBondContact O-NE 2.91Å
322	S	65.6	Low	66	Low	35 Å²	35	62.1 Å²	62.1	25%	0.245	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-42.5	-177.3	-59.5	0	0	0	0	113.5	E295 R325 Y326	E295-S322 PolarHBondContact OE1-N 2.65Å; S322-R325 PolarHBondContact OG-NH2 2.85Å; S322-Y326 WeakPolarHBondContact O-CB 3.36Å; S322-Y326 PolarHBondContact O-N 3.12Å
323	R	68.8	Low	66.9	Low	45 Å²	45	66.1 Å²	66.1	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-68.9	-43.1	177.9	178.2	62.4	-179.2	166	3.2	110.6	W201 C203 E290 E295 Y326 L327	W201-R323 HydrophobicContact CE3-CG 4.49Å; W201-R323 HydrophobicContact CZ3-CG 4.39Å; W201-R323 PolarHBondContact O-NH2 3.06Å; C203-R323 PolarHBondContact O-NH2 3.17Å; E290-R323 IonicContact OE2-NH1 2.77Å; E295-R323 WeakPolarHBondContact OE1-CA 3.21Å; E295-R323 WeakPolarHBondContact OE1-CB 3.23Å; E295-R323 PolarHBondContact OE1-N 2.99Å; R323-Y326 WeakPolarHBondContact O-CB 3.25Å; R323-Y326 PolarHBondContact O-N 3.32Å; R323-L327 WeakPolarHBondContact O-CG 3.01Å; R323-L327 PolarHBondContact O-N 3.22Å
324	R	70.9	Confident	67.6	Low	2 Å²	2	67.8 Å²	67.8	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-46.5	176.4	-178.5	172.5	160.7	-135.1	-10.4	112.2	W201 E295 W312 I313 A320 Y326 L327 L328 S334 L337	W201-R324 HydrophobicContact CH2-CB 4.27Å; W201-R324 HydrophobicContact CZ3-CB 4.47Å; E295-R324 PolarHBondContact OE1-N 3.27Å; W312-R324 PolarHBondContact O-NH1 3.41Å; I313-R324 PolarHBondContact O-NH2 2.96Å; A320-R324 HydrophobicContact CB-CB 4.3Å; A320-R324 HydrophobicContact CB-CG 4.11Å; R324-Y326 VanDerWaalsContact C-N 3.25Å; R324-Y326 PolarHBondContact O-N 2.93Å; R324-L327 PolarHBondContact O-N 3.41Å; R324-L328 HydrophobicContact CG-CD1 4.25Å; R324-L328 HydrophobicContact CG-CG 4.45Å; R324-L328 WeakPolarHBondContact O-CG 3.49Å; R324-L328 PolarHBondContact O-N 2.83Å; R324-L328 VanDerWaalsContact O-N 3.08Å; R324-S334 PolarHBondContact NH2-OG 2.95Å; R324-L337 HydrophobicContact CG-CD1 4.28Å
325	R	69.9	Low	68.3	Low	121 Å²	121	67.3 Å²	67.3	46%	0.457	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-32.5	176.8	-73.7	179.5	-67.1	141.1	6.2	112.6	A320 G321 S322 R329	A320-R325 HydrophobicContact CB-CG 3.96Å; A320-R325 WeakPolarHBondContact O-CD 3.34Å; A320-R325 PolarHBondContact O-NE 3.24Å; G321-R325 WeakPolarHBondContact O-CB 3.44Å; G321-R325 WeakPolarHBondContact O-CG 3.36Å; G321-R325 PolarHBondContact O-N 3.02Å; G321-R325 PolarHBondContact O-NE 2.91Å; S322-R325 PolarHBondContact OG-NH2 2.85Å; R325-R329 WeakPolarHBondContact O-CB 3.19Å; R325-R329 PolarHBondContact O-N 3.45Å; R325-R329 VanDerWaalsContact O-N 3.14Å
326	Y	72.4	Confident	69.6	Low	18 Å²	18	63.3 Å²	63.3	7%	0.071	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-46.5	172.9	-178.8	-102.8	0	0	0	112.3	F192 W205 S287 E290 S322 R323 R324 R329 W330	F192-Y326 HydrophobicContact CE2-CE1 4.45Å; W205-Y326 AromaticContact NE1-CZ 3.8Å; W205-Y326 PolarHBondContact NE1-OH 3.27Å; S287-Y326 WeakPolarHBondContact CB-OH 3.45Å; E290-Y326 HydrophobicContact CG-CE1 3.97Å; E290-Y326 PolarHBondContact OE1-OH 2.94Å; S322-Y326 WeakPolarHBondContact O-CB 3.36Å; S322-Y326 PolarHBondContact O-N 3.12Å; R323-Y326 WeakPolarHBondContact O-CB 3.25Å; R323-Y326 PolarHBondContact O-N 3.32Å; R324-Y326 VanDerWaalsContact C-N 3.25Å; R324-Y326 PolarHBondContact O-N 2.93Å; Y326-R329 PolarHBondContact O-N 3.3Å; Y326-W330 AromaticContact CD2-NE1 3.97Å; Y326-W330 AromaticContact CE2-NE1 3.67Å; Y326-W330 VanDerWaalsContact O-CD1 3.25Å; Y326-W330 PolarHBondContact O-N 3.4Å
327	L	81	Confident	70.8	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-47	177.3	-67.6	173.2	0	0	0	112	F192 W201 C203 R323 R324 R329 W330 V332 L337	F192-L327 HydrophobicContact CZ-CD2 4.01Å; W201-L327 HydrophobicContact CD2-CD1 4.35Å; W201-L327 HydrophobicContact CE3-CD1 3.77Å; W201-L327 HydrophobicContact CZ3-CD1 4.12Å; C203-L327 HydrophobicContact CB-CD2 4.3Å; R323-L327 WeakPolarHBondContact O-CG 3.01Å; R323-L327 PolarHBondContact O-N 3.22Å; R324-L327 PolarHBondContact O-N 3.41Å; L327-R329 VanDerWaalsContact C-N 3.28Å; L327-R329 PolarHBondContact O-N 2.86Å; L327-W330 PolarHBondContact O-N 3.01Å; L327-W330 VanDerWaalsContact O-N 3.14Å; L327-V332 HydrophobicContact CB-CB 4.15Å; L327-V332 HydrophobicContact CB-CG2 4.22Å; L327-V332 HydrophobicContact CD2-CG2 4.34Å; L327-V332 WeakPolarHBondContact O-CB 3.44Å; L327-V332 PolarHBondContact O-N 2.87Å; L327-L337 HydrophobicContact CB-CD1 4.34Å; L327-L337 HydrophobicContact CD1-CD1 4.14Å; L327-L337 HydrophobicContact CD1-CD2 3.97Å
328	L	79.9	Confident	72	Confident	50 Å²	50	56.2 Å²	56.2	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-37.4	177.2	-63.2	173.9	0	0	0	112.5	R324 W330 G331 V332	R324-L328 HydrophobicContact CG-CD1 4.25Å; R324-L328 HydrophobicContact CG-CG 4.45Å; R324-L328 WeakPolarHBondContact O-CG 3.49Å; R324-L328 PolarHBondContact O-N 2.83Å; R324-L328 VanDerWaalsContact O-N 3.08Å; L328-W330 PolarHBondContact O-N 2.79Å; L328-G331 PolarHBondContact O-N 3.28Å; L328-V332 WeakPolarHBondContact CD2-O 3.46Å
329	R	77.7	Confident	73.5	Confident	170 Å²	170	46.7 Å²	46.7	64%	0.642	22%	0.222	S	C	*	.	H	α-helix	trans	-65.2	-26.1	178.9	-175.7	-178.9	-179.1	-162	1.8	113.2	E289 R325 Y326 L327	E289-R329 IonicContact OE1-NH1 3.5Å; R325-R329 WeakPolarHBondContact O-CB 3.19Å; R325-R329 PolarHBondContact O-N 3.45Å; R325-R329 VanDerWaalsContact O-N 3.14Å; Y326-R329 PolarHBondContact O-N 3.3Å; L327-R329 VanDerWaalsContact C-N 3.28Å; L327-R329 PolarHBondContact O-N 2.86Å
330	W	77.9	Confident	74.8	Confident	63 Å²	63	41.1 Å²	41.1	24%	0.239	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	26.9	-177.4	-66.2	110.5	0	0	0	113.2	F192 W205 Y326 L327 L328	F192-W330 HydrophobicContact CD1-CB 3.62Å; F192-W330 HydrophobicContact CD1-CG 4.43Å; F192-W330 HydrophobicContact CE1-CB 3.65Å; F192-W330 HydrophobicContact CG-CB 4.36Å; F192-W330 HydrophobicContact CZ-CB 4.4Å; W205-W330 HydrophobicContact CH2-CD2 4.27Å; W205-W330 AromaticContact CH2-CE3 3.89Å; W205-W330 HydrophobicContact CH2-CE3 3.89Å; W205-W330 AromaticContact CH2-CH2 3.88Å; W205-W330 HydrophobicContact CH2-CH2 3.88Å; W205-W330 HydrophobicContact CH2-CZ2 4.25Å; W205-W330 AromaticContact CH2-CZ3 3.69Å; W205-W330 HydrophobicContact CH2-CZ3 3.69Å; W205-W330 AromaticContact CZ2-CD2 3.68Å; W205-W330 HydrophobicContact CZ2-CD2 3.68Å; W205-W330 AromaticContact CZ2-CE2 3.62Å; W205-W330 AromaticContact CZ2-CE3 3.79Å; W205-W330 HydrophobicContact CZ2-CE3 3.79Å; W205-W330 HydrophobicContact CZ2-CG 4.33Å; W205-W330 AromaticContact CZ2-CH2 3.83Å; W205-W330 HydrophobicContact CZ2-CH2 3.83Å; W205-W330 AromaticContact CZ2-CZ2 3.71Å; W205-W330 HydrophobicContact CZ2-CZ2 3.71Å; W205-W330 AromaticContact CZ2-CZ3 3.87Å; W205-W330 HydrophobicContact CZ2-CZ3 3.87Å; Y326-W330 AromaticContact CD2-NE1 3.97Å; Y326-W330 AromaticContact CE2-NE1 3.67Å; Y326-W330 VanDerWaalsContact O-CD1 3.25Å; Y326-W330 PolarHBondContact O-N 3.4Å; L327-W330 PolarHBondContact O-N 3.01Å; L327-W330 VanDerWaalsContact O-N 3.14Å; L328-W330 PolarHBondContact O-N 2.79Å
331	G	72.5	Confident	76.1	Confident	54 Å²	54	43.3 Å²	43.3	56%	0.557	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	7.5	168.2	0	0	0	0	0	116.1	L328	L328-G331 PolarHBondContact O-N 3.28Å
332	V	79.4	Confident	77.2	Confident	5 Å²	5	43 Å²	43	3%	0.03	21%	0.206	C	C	.	.			trans	-78.1	122.9	171.2	-176	0	0	0	0	109.4	L158 F192 Y200 L327 L328 L337	L158-V332 HydrophobicContact CD1-CG2 4.03Å; F192-V332 HydrophobicContact CE1-CG2 4.31Å; Y200-V332 HydrophobicContact CD1-CG1 4Å; Y200-V332 HydrophobicContact CD1-CG2 4.26Å; Y200-V332 HydrophobicContact CG-CG1 4.21Å; L327-V332 HydrophobicContact CB-CB 4.15Å; L327-V332 HydrophobicContact CB-CG2 4.22Å; L327-V332 HydrophobicContact CD2-CG2 4.34Å; L327-V332 WeakPolarHBondContact O-CB 3.44Å; L327-V332 PolarHBondContact O-N 2.87Å; L328-V332 WeakPolarHBondContact CD2-O 3.46Å; V332-L337 HydrophobicContact CG1-CD1 4.3Å; V332-L337 HydrophobicContact CG1-CD2 3.97Å; V332-L337 HydrophobicContact CG1-CG 4.05Å
333	E	75.6	Confident	78.1	Confident	118 Å²	118	41.4 Å²	41.4	55%	0.551	20%	0.195	S	C	*	.			trans	-72.1	140.2	-180	-58.2	-169.2	116.8	0	0	112	H335 T336	E333-H335 PolarHBondContact O-N 3.32Å; E333-H335 IonicContact OE2-CE1 3.16Å; E333-H335 PolarHBondContact OE2-CE1 3.37Å; E333-H335 IonicContact OE2-NE2 3.18Å; E333-T336 HydrophobicContact CB-CG2 4.4Å; E333-T336 PolarHBondContact O-N 2.99Å; E333-T336 PolarHBondContact O-OG1 3.42Å
334	S	73.7	Confident	78.8	Confident	35 Å²	35	39.7 Å²	39.7	25%	0.245	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.3	-168.9	-163.3	0	0	0	0	115	I313 R324	I313-S334 WeakPolarHBondContact CG2-O 3.41Å; I313-S334 PolarHBondContact O-OG 2.86Å; R324-S334 PolarHBondContact NH2-OG 2.95Å
335	H	73.8	Confident	79.4	Confident	58 Å²	58	42 Å²	42	27%	0.269	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-32.4	179.4	64.3	-105.8	0	0	0	112.5	E333 L337 I338 L386 H387	E333-H335 PolarHBondContact O-N 3.32Å; E333-H335 IonicContact OE2-CE1 3.16Å; E333-H335 PolarHBondContact OE2-CE1 3.37Å; E333-H335 IonicContact OE2-NE2 3.18Å; H335-L337 PolarHBondContact O-N 2.85Å; H335-I338 WeakPolarHBondContact O-CB 3.24Å; H335-I338 PolarHBondContact O-N 3.21Å; H335-L386 HydrophobicContact CB-CD2 4.28Å; H335-H387 AromaticContact CD2-CD2 3.64Å; H335-H387 AromaticContact CG-CD2 3.75Å
336	T	81.2	Confident	79.8	Confident	8 Å²	8	37.5 Å²	37.5	5%	0.049	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.7	-178.7	64.1	0	0	0	0	113.4	E333 L388	E333-T336 HydrophobicContact CB-CG2 4.4Å; E333-T336 PolarHBondContact O-N 2.99Å; E333-T336 PolarHBondContact O-OG1 3.42Å; T336-L388 HydrophobicContact CG2-CD1 4.41Å; T336-L388 HydrophobicContact CG2-CD2 4.05Å; T336-L388 HydrophobicContact CG2-CG 4.2Å
337	L	82.1	Confident	80.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.2	176.1	-61.3	178.7	0	0	0	113.6	W201 R324 L327 V332 H335 W385	W201-L337 HydrophobicContact CD2-CD2 4Å; W201-L337 HydrophobicContact CG-CD2 4.13Å; W201-L337 HydrophobicContact CZ2-CB 3.81Å; W201-L337 HydrophobicContact CZ2-CD1 4.4Å; W201-L337 HydrophobicContact CZ2-CD2 4.33Å; W201-L337 HydrophobicContact CZ2-CG 4.41Å; W201-L337 PolarHBondContact NE1-O 2.8Å; W201-L337 VanDerWaalsContact NE1-O 3.14Å; R324-L337 HydrophobicContact CG-CD1 4.28Å; L327-L337 HydrophobicContact CB-CD1 4.34Å; L327-L337 HydrophobicContact CD1-CD1 4.14Å; L327-L337 HydrophobicContact CD1-CD2 3.97Å; V332-L337 HydrophobicContact CG1-CD1 4.3Å; V332-L337 HydrophobicContact CG1-CD2 3.97Å; V332-L337 HydrophobicContact CG1-CG 4.05Å; H335-L337 PolarHBondContact O-N 2.85Å; L337-W385 WeakPolarHBondContact O-CZ3 3.35Å
338	I	80.9	Confident	79.8	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.067	25%	0.253	C	S	.	.	S	Bend	trans	-90.5	124.7	-179.9	-56.1	179.1	0	0	0	109.9	I313 H335 E340 W385 L386	I313-I338 HydrophobicContact CB-CD1 3.92Å; I313-I338 HydrophobicContact CB-CG1 3.85Å; I313-I338 HydrophobicContact CD1-CG1 3.84Å; I313-I338 HydrophobicContact CG1-CG1 4.43Å; I313-I338 HydrophobicContact CG2-CD1 3.66Å; I313-I338 HydrophobicContact CG2-CG1 3.43Å; I313-I338 VanDerWaalsContact CG2-CG1 3.43Å; H335-I338 WeakPolarHBondContact O-CB 3.24Å; H335-I338 PolarHBondContact O-N 3.21Å; I338-E340 PolarHBondContact O-N 3.37Å; I338-W385 WeakPolarHBondContact O-CA 3.36Å; I338-L386 HydrophobicContact CB-CB 3.94Å; I338-L386 HydrophobicContact CB-CD2 4.18Å; I338-L386 HydrophobicContact CD1-CD2 3.84Å; I338-L386 HydrophobicContact CG2-CB 4.33Å; I338-L386 HydrophobicContact CG2-CD2 4.31Å; I338-L386 PolarHBondContact O-N 3.1Å
339	P	85.4	Confident	79.5	Confident	3 Å²	3	49 Å²	49	2%	0.019	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125.7	165.4	-17	31.7	0	0	0	110.3	V383 W385 V434 I438 L441	P339-V383 HydrophobicContact CB-CG1 3.81Å; P339-W385 HydrophobicContact CG-CE3 4.41Å; P339-W385 HydrophobicContact CG-CZ3 3.87Å; P339-V434 HydrophobicContact CG-CG1 4.06Å; P339-I438 HydrophobicContact CB-CG1 4.18Å; P339-I438 HydrophobicContact CG-CD1 4.35Å; P339-I438 HydrophobicContact CG-CG1 3.9Å; P339-L441 HydrophobicContact CB-CD1 3.82Å
340	E	82.5	Confident	79	Confident	51 Å²	51	43.5 Å²	43.5	24%	0.238	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-50	178.7	-175.6	-163.9	112.5	0	0	111.7	I338 K384 L386	I338-E340 PolarHBondContact O-N 3.37Å; E340-K384 PolarHBondContact N-O 3.02Å; E340-K384 IonicContact OE1-NZ 3.15Å; E340-K384 PolarHBondContact OE1-NZ 3.41Å; E340-K384 IonicContact OE2-NZ 3.15Å; E340-K384 PolarHBondContact OE2-NZ 2.91Å; E340-L386 HydrophobicContact CB-CB 4.32Å; E340-L386 HydrophobicContact CB-CD1 4.3Å; E340-L386 HydrophobicContact CG-CD1 4.01Å
341	R	84.3	Confident	78.2	Confident	50 Å²	50	41.6 Å²	41.6	19%	0.189	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155	-179.1	65.5	-179.1	82.1	-163	0.7	111.9	L343 K384 E587	R341-L343 HydrophobicContact CG-CD2 3.9Å; R341-K384 HydrophobicContact CG-CB 3.81Å; R341-K384 HydrophobicContact CG-CD 3.97Å; R341-K384 HydrophobicContact CG-CG 4.35Å; R341-K384 PolarHBondContact N-O 2.87Å; R341-K384 PolarHBondContact O-N 3.22Å; R341-E587 IonicContact NH1-OE1 2.69Å
342	V	86.6	Confident	77.4	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.1	167.6	170.3	0	0	0	0	108.8	I345 V381 L441 A442 Y445	V342-I345 HydrophobicContact CG1-CD1 4.5Å; V342-I345 HydrophobicContact CG1-CG1 3.89Å; V342-V381 HydrophobicContact CB-CG1 4.2Å; V342-V381 HydrophobicContact CG1-CG1 3.58Å; V342-V381 HydrophobicContact CG2-CG1 3.55Å; V342-L441 HydrophobicContact CG2-CB 3.77Å; V342-A442 HydrophobicContact CG2-CB 4.37Å; V342-Y445 HydrophobicContact CG1-CD2 4.34Å; V342-Y445 HydrophobicContact CG1-CG 4.24Å; V342-Y445 WeakPolarHBondContact O-CD2 3.47Å
343	L	84	Confident	75.9	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-34.9	178.5	-54.3	-177.5	0	0	0	112.2	R341 L382 K384 Y390 A393 E587	R341-L343 HydrophobicContact CG-CD2 3.9Å; L343-L382 HydrophobicContact CB-CB 4.41Å; L343-L382 HydrophobicContact CB-CD2 4Å; L343-L382 HydrophobicContact CB-CG 4.03Å; L343-L382 HydrophobicContact CD1-CD2 4.24Å; L343-L382 HydrophobicContact CD1-CG 4.21Å; L343-L382 HydrophobicContact CG-CG 4.49Å; L343-L382 PolarHBondContact N-O 2.8Å; L343-K384 HydrophobicContact CD1-CB 4.27Å; L343-K384 HydrophobicContact CD2-CB 4.22Å; L343-K384 HydrophobicContact CG-CB 4.21Å; L343-Y390 HydrophobicContact CD1-CD1 3.78Å; L343-Y390 HydrophobicContact CD1-CE1 4.18Å; L343-Y390 HydrophobicContact CD2-CD1 4.18Å; L343-Y390 HydrophobicContact CD2-CE1 3.7Å; L343-A393 HydrophobicContact CD1-CB 3.8Å; L343-E587 HydrophobicContact CD2-CG 4.34Å
344	A	83.3	Confident	74.5	Confident	9 Å²	9	47.4 Å²	47.4	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	158.1	179.6	0	0	0	0	0	111.6	L382 W395 Y586	A344-L382 HydrophobicContact CB-CB 4.08Å; A344-L382 HydrophobicContact CB-CD2 4.35Å; A344-L382 PolarHBondContact O-N 2.93Å; A344-W395 HydrophobicContact CB-CH2 3.83Å; A344-W395 HydrophobicContact CB-CZ2 4.48Å; A344-Y586 HydrophobicContact CB-CD1 3.79Å; A344-Y586 HydrophobicContact CB-CE1 4.01Å
345	I	83.6	Confident	73	Confident	51 Å²	51	51 Å²	51	26%	0.262	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130	176.3	-58	171.6	0	0	0	107.3	V342 A442 Y445 C446	V342-I345 HydrophobicContact CG1-CD1 4.5Å; V342-I345 HydrophobicContact CG1-CG1 3.89Å; I345-A442 HydrophobicContact CD1-CB 3.83Å; I345-A442 HydrophobicContact CG1-CB 4.37Å; I345-Y445 HydrophobicContact CD1-CD1 3.6Å; I345-Y445 HydrophobicContact CD1-CE1 4.13Å; I345-Y445 HydrophobicContact CD1-CG 4.44Å; I345-Y445 HydrophobicContact CG1-CD1 4.19Å; I345-Y445 HydrophobicContact CG1-CE1 4.4Å; I345-C446 VanDerWaalsContact CD1-SG 3.53Å
346	G	78.9	Confident	71.5	Confident	26 Å²	26	56.6 Å²	56.6	27%	0.268	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	173.5	175.6	0	0	0	0	0	113.2	E380	G346-E380 PolarHBondContact N-O 3.06Å
347	E	76.8	Confident	69.7	Low	163 Å²	163	60.1 Å²	60.1	76%	0.762	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	150.2	176.4	-69	162.4	-158.8	0	0	112.4
348	T	75.2	Confident	67.6	Low	92 Å²	92	67.2 Å²	67.2	56%	0.564	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.3	176.5	49.5	0	0	0	0	112	Y378 R379	T348-Y378 CarbonylContact C-O 3.53Å; T348-Y378 VanDerWaalsContact CA-O 3.27Å; T348-Y378 WeakPolarHBondContact CA-O 3.49Å; T348-R379 HydrophobicContact CG2-CB 4.41Å
349	F	75	Confident	65.6	Low	55 Å²	55	69.7 Å²	69.7	24%	0.241	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	166.5	-178.4	64.6	-92.6	0	0	0	113.6	P351 Y378 E380 T397 P424	F349-P351 HydrophobicContact CE2-CG 4.36Å; F349-Y378 PolarHBondContact N-O 2.91Å; F349-Y378 PolarHBondContact O-N 3.04Å; F349-E380 HydrophobicContact CE1-CG 3.99Å; F349-E380 HydrophobicContact CZ-CG 4.44Å; F349-T397 HydrophobicContact CZ-CG2 4.13Å; F349-P424 HydrophobicContact CE2-CG 3.5Å; F349-P424 HydrophobicContact CZ-CG 3.66Å
350	T	65.5	Low	63.3	Low	54 Å²	54	76.5 Å²	76.5	33%	0.331	39%	0.391	S	S	.	.			trans	-119.6	122.2	175.4	59	0	0	0	0	110.6	K355 E377	T350-K355 WeakPolarHBondContact OG1-CE 3.49Å; T350-E377 HydrophobicContact CG2-CG 4.05Å
351	P	62.8	Low	61.1	Low	22 Å²	22	80.5 Å²	80.5	14%	0.143	41%	0.414	C	S	.	.			trans	-62.2	136	-174.1	-24.9	33.5	0	0	0	114.5	F349 R353 F354 Y378	F349-P351 HydrophobicContact CE2-CG 4.36Å; P351-R353 VanDerWaalsContact C-N 3.3Å; P351-R353 PolarHBondContact O-N 2.89Å; P351-F354 HydrophobicContact CB-CD2 3.87Å; P351-F354 HydrophobicContact CB-CE2 3.97Å; P351-F354 HydrophobicContact CG-CD2 4.22Å; P351-F354 HydrophobicContact CG-CE2 4.05Å; P351-F354 WeakPolarHBondContact O-CD2 3.5Å; P351-F354 PolarHBondContact O-N 2.99Å; P351-F354 VanDerWaalsContact O-N 3.1Å; P351-Y378 HydrophobicContact CG-CD2 3.83Å; P351-Y378 HydrophobicContact CG-CE2 3.93Å
352	E	53.9	Low	58.6	Low	91 Å²	91	84.4 Å²	84.4	43%	0.425	44%	0.438	S	S	.	.	H	α-helix	trans	-71.7	-20.2	-167.5	-55.2	-134.3	124.3	0	0	114.7	K112 F354 K355 K356	K112-E352 WeakPolarHBondContact CE-OE2 3.4Å; K112-E352 IonicContact NZ-OE1 2.66Å; K112-E352 PolarHBondContact NZ-OE1 3.4Å; K112-E352 IonicContact NZ-OE2 3Å; K112-E352 PolarHBondContact NZ-OE2 3.45Å; E352-F354 PolarHBondContact O-N 2.9Å; E352-K355 PolarHBondContact O-N 3.02Å; E352-K355 IonicContact OE1-NZ 3.29Å; E352-K355 PolarHBondContact OE1-NZ 2.85Å; E352-K355 VanDerWaalsContact OE1-NZ 3.07Å; E352-K356 PolarHBondContact O-N 3.46Å
353	R	49	Very low	56.2	Low	161 Å²	161	93.9 Å²	93.9	61%	0.608	48%	0.479	S	S	*	.	H	α-helix	trans	-60	-24.5	171.3	-81.4	-175.1	170	-166.8	-5.2	112.4	S278 P351	S278-R353 PolarHBondContact OG-NH2 2.97Å; P351-R353 VanDerWaalsContact C-N 3.3Å; P351-R353 PolarHBondContact O-N 2.89Å
354	F	46.4	Very low	53.9	Low	48 Å²	48	101.1 Å²	101.1	21%	0.211	52%	0.518	C	S	.	.	H	α-helix	trans	-77.7	-36	172.2	-60.5	-66.4	0	0	0	112.4	P351 E352 K356 V357 W375	P351-F354 HydrophobicContact CB-CD2 3.87Å; P351-F354 HydrophobicContact CB-CE2 3.97Å; P351-F354 HydrophobicContact CG-CD2 4.22Å; P351-F354 HydrophobicContact CG-CE2 4.05Å; P351-F354 WeakPolarHBondContact O-CD2 3.5Å; P351-F354 PolarHBondContact O-N 2.99Å; P351-F354 VanDerWaalsContact O-N 3.1Å; E352-F354 PolarHBondContact O-N 2.9Å; F354-K356 VanDerWaalsContact C-N 3.35Å; F354-K356 PolarHBondContact O-N 3.35Å; F354-V357 WeakPolarHBondContact O-CB 3.47Å; F354-V357 PolarHBondContact O-N 2.74Å; F354-V357 VanDerWaalsContact O-N 3.15Å; F354-W375 HydrophobicContact CB-CD2 4.09Å; F354-W375 HydrophobicContact CB-CE3 4.34Å; F354-W375 HydrophobicContact CB-CG 4.43Å; F354-W375 HydrophobicContact CD1-CD2 4.23Å; F354-W375 AromaticContact CD1-CE3 3.62Å; F354-W375 HydrophobicContact CD1-CE3 3.62Å; F354-W375 AromaticContact CD1-CH2 3.94Å; F354-W375 HydrophobicContact CD1-CH2 3.94Å; F354-W375 HydrophobicContact CD1-CZ2 4.49Å; F354-W375 AromaticContact CD1-CZ3 3.46Å; F354-W375 HydrophobicContact CD1-CZ3 3.46Å; F354-W375 VanDerWaalsContact CD1-CZ3 3.46Å; F354-W375 HydrophobicContact CE1-CE3 4.1Å; F354-W375 AromaticContact CE1-CZ3 3.85Å; F354-W375 HydrophobicContact CE1-CZ3 3.85Å; F354-W375 HydrophobicContact CG-CD2 4.21Å; F354-W375 AromaticContact CG-CE3 3.98Å; F354-W375 HydrophobicContact CG-CE3 3.98Å; F354-W375 HydrophobicContact CG-CZ3 4.26Å
355	K	42.7	Very low	51.4	Low	110 Å²	110	110.5 Å²	110.5	48%	0.478	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-36.4	179.4	-59.7	-179.3	-172.3	171	0	112.6	T350 E352 V357 E358	T350-K355 WeakPolarHBondContact OG1-CE 3.49Å; E352-K355 PolarHBondContact O-N 3.02Å; E352-K355 IonicContact OE1-NZ 3.29Å; E352-K355 PolarHBondContact OE1-NZ 2.85Å; E352-K355 VanDerWaalsContact OE1-NZ 3.07Å; K355-V357 PolarHBondContact O-N 2.72Å; K355-E358 PolarHBondContact O-N 2.92Å
356	K	42.3	Very low	49.3	Very low	176 Å²	176	112.5 Å²	112.5	77%	0.765	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-15.6	176.2	-81.3	-165.1	173.2	-170.3	0	114.3	E352 F354	E352-K356 PolarHBondContact O-N 3.46Å; F354-K356 VanDerWaalsContact C-N 3.35Å; F354-K356 PolarHBondContact O-N 3.35Å
357	V	42.6	Very low	47.1	Very low	81 Å²	81	118.3 Å²	118.3	49%	0.491	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.7	-24.7	-179.9	-177.4	0	0	0	0	112.3	F354 K355 G359	F354-V357 WeakPolarHBondContact O-CB 3.47Å; F354-V357 PolarHBondContact O-N 2.74Å; F354-V357 VanDerWaalsContact O-N 3.15Å; K355-V357 PolarHBondContact O-N 2.72Å; V357-G359 VanDerWaalsContact C-N 3.3Å; V357-G359 PolarHBondContact O-N 2.65Å
358	E	38	Very low	44.9	Very low	150 Å²	150	122.2 Å²	122.2	70%	0.701	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-6.4	-176.6	-61.9	-175	177.3	0	0	113.4	K355 W375	K355-E358 PolarHBondContact O-N 2.92Å; E358-W375 PolarHBondContact OE1-NE1 3.26Å
359	G	39.5	Very low	43	Very low	65 Å²	65	123.6 Å²	123.6	67%	0.67	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	20.6	-173.8	0	0	0	0	0	116.7	V357	V357-G359 VanDerWaalsContact C-N 3.3Å; V357-G359 PolarHBondContact O-N 2.65Å
360	I	36.8	Very low	40.9	Very low	146 Å²	146	125.2 Å²	125.2	75%	0.749	64%	0.635	S	S	*	*			trans	-88.6	119.7	178.4	-60.8	-180	0	0	0	110.7
361	D	35	Very low	39.5	Very low	135 Å²	135	125.9 Å²	125.9	72%	0.722	64%	0.636	S	S	*	*			trans	-79	127	-166.5	-120.1	-46.7	0	0	0	115.4	K363	D361-K363 PolarHBondContact O-N 3.13Å
362	N	32	Very low	38.4	Very low	131 Å²	131	131.9 Å²	131.9	70%	0.701	66%	0.66	S	S	*	*	S	Bend	trans	21.3	92.8	147	-71.4	-71.3	0	0	0	119.3
363	K	36.2	Very low	37.9	Very low	202 Å²	202	133.6 Å²	133.6	88%	0.878	67%	0.67	S	S	*	*			trans	-150.7	-43.4	147.3	-114.8	148.8	-168.2	168.9	0	117	D361	D361-K363 PolarHBondContact O-N 3.13Å
364	D	35.9	Very low	37.9	Very low	156 Å²	156	133.8 Å²	133.8	83%	0.834	68%	0.675	S	S	*	*			trans	-93.3	120.3	-177.8	-80.2	-57.9	0	0	0	114
365	K	31.9	Very low	38.4	Very low	205 Å²	205	135.4 Å²	135.4	89%	0.891	68%	0.68	S	S	*	*			trans	-102	7.6	-172	-78.2	-175.9	174.4	176.2	0	115.8
366	S	38.5	Very low	39.4	Very low	94 Å²	94	131 Å²	131	66%	0.657	66%	0.662	S	S	*	*	S	Bend	trans	-98	-21.2	-167	54.4	0	0	0	0	116.5
367	N	33.5	Very low	40.8	Very low	148 Å²	148	125.5 Å²	125.5	79%	0.791	64%	0.639	S	S	*	*			trans	-129.8	105	-174.4	-76.5	-51.7	0	0	0	112.5
368	R	29.6	Very low	42.5	Very low	244 Å²	244	122.1 Å²	122.1	92%	0.921	62%	0.618	S	S	*	*			trans	-121.4	118.4	168.3	-98.5	-173.6	172.5	-178.3	-1.9	110.9
369	P	35.8	Very low	44.6	Very low	122 Å²	122	116 Å²	116	79%	0.792	59%	0.588	S	S	*	*			trans	-71.4	150.6	162.7	31.2	-33	0	0	0	110.5
370	P	31.9	Very low	46.8	Very low	89 Å²	89	115.6 Å²	115.6	58%	0.578	57%	0.569	S	S	*	*			trans	-94.5	138.9	-170	35.4	-34.9	0	0	0	115
371	N	34.4	Very low	49.1	Very low	67 Å²	67	108.7 Å²	108.7	36%	0.358	53%	0.534	S	S	.	.	S	Bend	trans	60.9	112.1	158.8	-70.4	-8.9	0	0	0	120.4	M373 N1321 A1322 F1323	N371-M373 PolarHBondContact O-N 3.18Å; N371-N1321 PolarHBondContact ND2-ND2 3.26Å; N371-A1322 HydrophobicContact CB-CB 4.03Å; N371-A1322 WeakPolarHBondContact ND2-CB 3.38Å; N371-F1323 WeakPolarHBondContact ND2-CE2 3.36Å; N371-F1323 WeakPolarHBondContact ND2-CZ 3.24Å; N371-F1323 WeakPolarHBondContact OD1-CZ 3.5Å
372	K	41	Very low	51.7	Low	149 Å²	149	102.3 Å²	102.3	65%	0.648	50%	0.5	S	S	*	.			trans	37.7	69	142	-71.5	-164.4	165.3	-155.9	0	116.6	K374	K372-K374 PolarHBondContact O-N 3.45Å
373	M	42.1	Very low	54.3	Low	127 Å²	127	96.1 Å²	96.1	63%	0.626	47%	0.467	S	S	*	.			trans	-76.1	114.9	157.6	-173.8	162.8	173.5	0	0	107.9	N371 W375	N371-M373 PolarHBondContact O-N 3.18Å; M373-W375 PolarHBondContact O-N 3.34Å
374	K	49.7	Very low	56.8	Low	164 Å²	164	87.3 Å²	87.3	71%	0.713	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-72.5	122.6	168.8	-148.9	-161	-173.8	-145	0	106.1	K372 E377	K372-K374 PolarHBondContact O-N 3.45Å; K374-E377 VanDerWaalsContact CE-OE1 3.31Å; K374-E377 WeakPolarHBondContact CE-OE1 3.42Å; K374-E377 IonicContact NZ-OE1 3.09Å; K374-E377 PolarHBondContact NZ-OE1 2.89Å; K374-E377 IonicContact NZ-OE2 2.79Å
375	W	57.9	Low	59.3	Low	83 Å²	83	80 Å²	80	31%	0.314	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63.9	141.5	176	-63.2	112	0	0	0	109.6	F354 E358 M373 E377	F354-W375 HydrophobicContact CB-CD2 4.09Å; F354-W375 HydrophobicContact CB-CE3 4.34Å; F354-W375 HydrophobicContact CB-CG 4.43Å; F354-W375 HydrophobicContact CD1-CD2 4.23Å; F354-W375 AromaticContact CD1-CE3 3.62Å; F354-W375 HydrophobicContact CD1-CE3 3.62Å; F354-W375 AromaticContact CD1-CH2 3.94Å; F354-W375 HydrophobicContact CD1-CH2 3.94Å; F354-W375 HydrophobicContact CD1-CZ2 4.49Å; F354-W375 AromaticContact CD1-CZ3 3.46Å; F354-W375 HydrophobicContact CD1-CZ3 3.46Å; F354-W375 VanDerWaalsContact CD1-CZ3 3.46Å; F354-W375 HydrophobicContact CE1-CE3 4.1Å; F354-W375 AromaticContact CE1-CZ3 3.85Å; F354-W375 HydrophobicContact CE1-CZ3 3.85Å; F354-W375 HydrophobicContact CG-CD2 4.21Å; F354-W375 AromaticContact CG-CE3 3.98Å; F354-W375 HydrophobicContact CG-CE3 3.98Å; F354-W375 HydrophobicContact CG-CZ3 4.26Å; E358-W375 PolarHBondContact OE1-NE1 3.26Å; M373-W375 PolarHBondContact O-N 3.34Å; W375-E377 PolarHBondContact O-N 3.42Å
376	P	63	Low	61.5	Low	16 Å²	16	72.3 Å²	72.3	10%	0.104	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-62.6	130.8	176.4	26	-34.2	0	0	0	110.2	Y378	P376-Y378 HydrophobicContact CB-CE2 4.1Å; P376-Y378 HydrophobicContact CG-CE2 3.82Å; P376-Y378 WeakPolarHBondContact O-CD2 3.24Å; P376-Y378 WeakPolarHBondContact O-CE2 3.5Å
377	E	72	Confident	63.2	Low	61 Å²	61	74.3 Å²	74.3	29%	0.285	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-83.4	135.3	171	-74.9	147.2	-141.3	0	0	108.5	T350 K374 W375 S400	T350-E377 HydrophobicContact CG2-CG 4.05Å; K374-E377 VanDerWaalsContact CE-OE1 3.31Å; K374-E377 WeakPolarHBondContact CE-OE1 3.42Å; K374-E377 IonicContact NZ-OE1 3.09Å; K374-E377 PolarHBondContact NZ-OE1 2.89Å; K374-E377 IonicContact NZ-OE2 2.79Å; W375-E377 PolarHBondContact O-N 3.42Å; E377-S400 PolarHBondContact O-N 3.47Å
378	Y	77.3	Confident	65.4	Low	10 Å²	10	68.4 Å²	68.4	4%	0.039	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	150.5	-179.8	-67.4	-98.1	0	0	0	110.1	T348 F349 P351 P376 V398 E399 L429	T348-Y378 CarbonylContact C-O 3.53Å; T348-Y378 VanDerWaalsContact CA-O 3.27Å; T348-Y378 WeakPolarHBondContact CA-O 3.49Å; F349-Y378 PolarHBondContact N-O 2.91Å; F349-Y378 PolarHBondContact O-N 3.04Å; P351-Y378 HydrophobicContact CG-CD2 3.83Å; P351-Y378 HydrophobicContact CG-CE2 3.93Å; P376-Y378 HydrophobicContact CB-CE2 4.1Å; P376-Y378 HydrophobicContact CG-CE2 3.82Å; P376-Y378 WeakPolarHBondContact O-CD2 3.24Å; P376-Y378 WeakPolarHBondContact O-CE2 3.5Å; Y378-V398 CarbonylContact C-O 3.54Å; Y378-V398 VanDerWaalsContact CA-O 3.32Å; Y378-V398 WeakPolarHBondContact CA-O 3.5Å; Y378-E399 HydrophobicContact CE1-CG 4.41Å; Y378-L429 HydrophobicContact CE1-CD1 4.35Å
379	R	83	Confident	67.7	Low	21 Å²	21	59.9 Å²	59.9	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.4	169	51	177.9	167.9	168.4	-4.7	110.1	T348 V381 V398 S400 D443	T348-R379 HydrophobicContact CG2-CB 4.41Å; R379-V381 HydrophobicContact CG-CG2 4.14Å; R379-V398 PolarHBondContact N-O 3.27Å; R379-V398 PolarHBondContact O-N 2.79Å; R379-S400 PolarHBondContact NE-O 3.41Å; R379-S400 PolarHBondContact NH2-O 2.76Å; R379-D443 IonicContact CZ-OD1 3.36Å; R379-D443 IonicContact NH1-OD1 3.25Å; R379-D443 IonicContact NH2-OD1 2.62Å; R379-D443 PolarHBondContact NH2-OD1 2.84Å
380	E	84.6	Confident	69.9	Low	57 Å²	57	55.1 Å²	55.1	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133	166.2	-85.4	167.7	-166.6	0	0	108.9	G346 F349 W395 T397	G346-E380 PolarHBondContact N-O 3.06Å; F349-E380 HydrophobicContact CE1-CG 3.99Å; F349-E380 HydrophobicContact CZ-CG 4.44Å; E380-W395 HydrophobicContact CB-CE3 3.93Å; E380-W395 HydrophobicContact CB-CZ3 4.34Å; E380-T397 HydrophobicContact CG-CG2 3.7Å
381	V	85.9	Confident	72.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.6	-178.2	-174.9	0	0	0	0	109	V342 R379 V383 E396 V398 I438	V342-V381 HydrophobicContact CB-CG1 4.2Å; V342-V381 HydrophobicContact CG1-CG1 3.58Å; V342-V381 HydrophobicContact CG2-CG1 3.55Å; R379-V381 HydrophobicContact CG-CG2 4.14Å; V381-V383 HydrophobicContact CG1-CG2 4.16Å; V381-V383 PolarHBondContact O-N 3.02Å; V381-E396 PolarHBondContact N-O 3.48Å; V381-E396 PolarHBondContact O-N 3.08Å; V381-V398 HydrophobicContact CG2-CG2 4.43Å; V381-I438 HydrophobicContact CB-CG2 4.15Å; V381-I438 HydrophobicContact CG1-CG2 3.9Å; V381-I438 HydrophobicContact CG2-CG2 4.46Å
382	L	88.8	Confident	74.6	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	107.6	176.7	-178.5	57	0	0	0	109.5	L343 A344 A393 W395 M582 Y586	L343-L382 HydrophobicContact CB-CB 4.41Å; L343-L382 HydrophobicContact CB-CD2 4Å; L343-L382 HydrophobicContact CB-CG 4.03Å; L343-L382 HydrophobicContact CD1-CD2 4.24Å; L343-L382 HydrophobicContact CD1-CG 4.21Å; L343-L382 HydrophobicContact CG-CG 4.49Å; L343-L382 PolarHBondContact N-O 2.8Å; A344-L382 HydrophobicContact CB-CB 4.08Å; A344-L382 HydrophobicContact CB-CD2 4.35Å; A344-L382 PolarHBondContact O-N 2.93Å; L382-A393 HydrophobicContact CD1-CB 3.92Å; L382-A393 HydrophobicContact CG-CB 4.43Å; L382-W395 HydrophobicContact CB-CD2 3.91Å; L382-W395 HydrophobicContact CB-CE3 3.84Å; L382-W395 HydrophobicContact CB-CH2 3.87Å; L382-W395 HydrophobicContact CB-CZ2 3.9Å; L382-W395 HydrophobicContact CB-CZ3 3.83Å; L382-W395 HydrophobicContact CD1-CD2 4.22Å; L382-W395 HydrophobicContact CD1-CG 4.22Å; L382-W395 HydrophobicContact CD2-CZ2 4.01Å; L382-W395 HydrophobicContact CG-CZ2 4.41Å; L382-M582 HydrophobicContact CD2-CE 4.37Å; L382-Y586 HydrophobicContact CD2-CD1 3.99Å; L382-Y586 HydrophobicContact CD2-CD2 4.37Å; L382-Y586 HydrophobicContact CD2-CE1 3.88Å; L382-Y586 HydrophobicContact CD2-CE2 4.33Å; L382-Y586 HydrophobicContact CD2-CG 4.25Å
383	V	88	Confident	76.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.6	-173.3	177.8	0	0	0	0	110.5	P339 V381 W385 A393 T394 E396 I438	P339-V383 HydrophobicContact CB-CG1 3.81Å; V381-V383 HydrophobicContact CG1-CG2 4.16Å; V381-V383 PolarHBondContact O-N 3.02Å; V383-W385 HydrophobicContact CG1-CD2 4.24Å; V383-W385 HydrophobicContact CG1-CZ2 4.18Å; V383-A393 CarbonylContact O-C 3.56Å; V383-A393 WeakPolarHBondContact O-CA 3.42Å; V383-A393 WeakPolarHBondContact O-CB 3.48Å; V383-T394 PolarHBondContact N-O 3.1Å; V383-T394 PolarHBondContact O-N 2.82Å; V383-E396 HydrophobicContact CB-CG 4.46Å; V383-E396 HydrophobicContact CG2-CB 4.39Å; V383-E396 HydrophobicContact CG2-CG 4.25Å; V383-I438 HydrophobicContact CG2-CD1 4.16Å; V383-I438 HydrophobicContact CG2-CG1 4.22Å; V383-I438 HydrophobicContact CG2-CG2 3.88Å
384	K	88.9	Confident	78.8	Confident	17 Å²	17	41.7 Å²	41.7	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.8	162.7	178.5	175.3	-175.5	-70.5	0	109.1	E340 R341 L343 Y390	E340-K384 PolarHBondContact N-O 3.02Å; E340-K384 IonicContact OE1-NZ 3.15Å; E340-K384 PolarHBondContact OE1-NZ 3.41Å; E340-K384 IonicContact OE2-NZ 3.15Å; E340-K384 PolarHBondContact OE2-NZ 2.91Å; R341-K384 HydrophobicContact CG-CB 3.81Å; R341-K384 HydrophobicContact CG-CD 3.97Å; R341-K384 HydrophobicContact CG-CG 4.35Å; R341-K384 PolarHBondContact N-O 2.87Å; R341-K384 PolarHBondContact O-N 3.22Å; L343-K384 HydrophobicContact CD1-CB 4.27Å; L343-K384 HydrophobicContact CD2-CB 4.22Å; L343-K384 HydrophobicContact CG-CB 4.21Å; K384-Y390 HydrophobicContact CD-CD1 3.96Å; K384-Y390 HydrophobicContact CD-CD2 4.27Å; K384-Y390 HydrophobicContact CD-CE1 3.71Å; K384-Y390 HydrophobicContact CD-CE2 4.02Å; K384-Y390 HydrophobicContact CD-CG 4.24Å; K384-Y390 VanDerWaalsContact CE-CE2 3.43Å
385	W	86.8	Confident	80.5	Confident	3 Å²	3	37.8 Å²	37.8	1%	0.011	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	149.6	177.9	-58.2	94.5	0	0	0	111.2	S199 W201 L337 I338 P339 V383 L388 T394 E396 L430	S199-W385 VanDerWaalsContact CB-CZ2 3.4Å; W201-W385 AromaticContact CD1-CH2 3.5Å; W201-W385 AromaticContact CD1-CZ3 3.64Å; W201-W385 AromaticContact NE1-CH2 3.8Å; W201-W385 AromaticContact NE1-CZ3 3.51Å; L337-W385 WeakPolarHBondContact O-CZ3 3.35Å; I338-W385 WeakPolarHBondContact O-CA 3.36Å; P339-W385 HydrophobicContact CG-CE3 4.41Å; P339-W385 HydrophobicContact CG-CZ3 3.87Å; V383-W385 HydrophobicContact CG1-CD2 4.24Å; V383-W385 HydrophobicContact CG1-CZ2 4.18Å; W385-L388 HydrophobicContact CB-CB 4.34Å; W385-L388 HydrophobicContact CB-CD1 3.93Å; W385-L388 HydrophobicContact CB-CG 4.4Å; W385-L388 PolarHBondContact O-N 3.18Å; W385-T394 PolarHBondContact NE1-OG1 3.39Å; W385-E396 HydrophobicContact CZ2-CG 4.01Å; W385-L430 HydrophobicContact CH2-CD1 4.28Å
386	L	79.8	Confident	81.7	Confident	43 Å²	43	34 Å²	34	23%	0.225	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	135.8	-174.6	-174.6	68	0	0	0	112	H335 I338 E340 L388	H335-L386 HydrophobicContact CB-CD2 4.28Å; I338-L386 HydrophobicContact CB-CB 3.94Å; I338-L386 HydrophobicContact CB-CD2 4.18Å; I338-L386 HydrophobicContact CD1-CD2 3.84Å; I338-L386 HydrophobicContact CG2-CB 4.33Å; I338-L386 HydrophobicContact CG2-CD2 4.31Å; I338-L386 PolarHBondContact O-N 3.1Å; E340-L386 HydrophobicContact CB-CB 4.32Å; E340-L386 HydrophobicContact CB-CD1 4.3Å; E340-L386 HydrophobicContact CG-CD1 4.01Å; L386-L388 PolarHBondContact O-N 2.88Å
387	H	73.7	Confident	82.7	Confident	136 Å²	136	33.4 Å²	33.4	63%	0.63	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	-4.7	-174.9	-56.5	-39.6	0	0	0	116.5	H335	H335-H387 AromaticContact CD2-CD2 3.64Å; H335-H387 AromaticContact CG-CD2 3.75Å
388	L	78.7	Confident	83.1	Confident	24 Å²	24	30.6 Å²	30.6	13%	0.126	15%	0.149	C	C	.	.	S	Bend	trans	-82.8	140.4	171.5	-67	-177.5	0	0	0	111.2	Y200 T336 W385 L386 H392	Y200-L388 HydrophobicContact CD2-CD1 3.93Å; Y200-L388 HydrophobicContact CE2-CD1 3.69Å; Y200-L388 HydrophobicContact CE2-CD2 4.38Å; T336-L388 HydrophobicContact CG2-CD1 4.41Å; T336-L388 HydrophobicContact CG2-CD2 4.05Å; T336-L388 HydrophobicContact CG2-CG 4.2Å; W385-L388 HydrophobicContact CB-CB 4.34Å; W385-L388 HydrophobicContact CB-CD1 3.93Å; W385-L388 HydrophobicContact CB-CG 4.4Å; W385-L388 PolarHBondContact O-N 3.18Å; L386-L388 PolarHBondContact O-N 2.88Å; L388-H392 HydrophobicContact CB-CB 4.32Å; L388-H392 HydrophobicContact CD1-CB 4.29Å
389	P	78.3	Confident	83.3	Confident	64 Å²	64	30.3 Å²	30.3	42%	0.416	15%	0.148	S	C	.	.			trans	-64.4	154.4	172.5	26.3	-35.1	0	0	0	111.9	I391 H392	P389-I391 HydrophobicContact CB-CG2 4.23Å; P389-I391 HydrophobicContact CG-CG2 4Å; P389-I391 PolarHBondContact O-N 2.88Å; P389-H392 PolarHBondContact O-N 3Å
390	Y	82.6	Confident	82.8	Confident	22 Å²	22	29.7 Å²	29.7	9%	0.086	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-55.3	-22.3	-175.1	-75.2	-101.2	0	0	0	115	L343 K384 H392 A393 L583 E587	L343-Y390 HydrophobicContact CD1-CD1 3.78Å; L343-Y390 HydrophobicContact CD1-CE1 4.18Å; L343-Y390 HydrophobicContact CD2-CD1 4.18Å; L343-Y390 HydrophobicContact CD2-CE1 3.7Å; K384-Y390 HydrophobicContact CD-CD1 3.96Å; K384-Y390 HydrophobicContact CD-CD2 4.27Å; K384-Y390 HydrophobicContact CD-CE1 3.71Å; K384-Y390 HydrophobicContact CD-CE2 4.02Å; K384-Y390 HydrophobicContact CD-CG 4.24Å; K384-Y390 VanDerWaalsContact CE-CE2 3.43Å; Y390-H392 PolarHBondContact O-N 3.27Å; Y390-A393 VanDerWaalsContact O-CB 3.26Å; Y390-A393 WeakPolarHBondContact O-CB 3.47Å; Y390-A393 PolarHBondContact O-N 3.39Å; Y390-A393 VanDerWaalsContact O-N 3.1Å; Y390-L583 HydrophobicContact CD1-CD2 3.9Å; Y390-L583 HydrophobicContact CD2-CD2 4.01Å; Y390-L583 HydrophobicContact CE1-CD2 3.58Å; Y390-L583 HydrophobicContact CE2-CD2 3.72Å; Y390-L583 HydrophobicContact CG-CD2 4.11Å; Y390-L583 VanDerWaalsContact CZ-CD2 3.49Å; Y390-E587 HydrophobicContact CE1-CG 4.12Å; Y390-E587 WeakPolarHBondContact CE1-OE1 3.47Å; Y390-E587 PolarHBondContact OH-OE1 3.45Å
391	I	81.4	Confident	82.1	Confident	79 Å²	79	30.9 Å²	30.9	41%	0.405	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-64	-22.7	174.5	-167.8	167.8	0	0	0	113.4	P389 Q578 V579	P389-I391 HydrophobicContact CB-CG2 4.23Å; P389-I391 HydrophobicContact CG-CG2 4Å; P389-I391 PolarHBondContact O-N 2.88Å; I391-Q578 HydrophobicContact CD1-CB 4.35Å; I391-V579 HydrophobicContact CB-CG2 4.16Å; I391-V579 HydrophobicContact CG2-CG2 4.39Å
392	H	83.1	Confident	81.6	Confident	51 Å²	51	33.2 Å²	33.2	24%	0.236	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-97.9	16.5	174	-55.8	-52.1	0	0	0	113	E155 L388 P389 Y390	E155-H392 IonicContact OE1-CE1 3.73Å; E155-H392 PolarHBondContact OE1-CE1 3.38Å; E155-H392 VanDerWaalsContact OE1-CE1 3.25Å; E155-H392 IonicContact OE1-ND1 2.83Å; L388-H392 HydrophobicContact CB-CB 4.32Å; L388-H392 HydrophobicContact CD1-CB 4.29Å; P389-H392 PolarHBondContact O-N 3Å; Y390-H392 PolarHBondContact O-N 3.27Å
393	A	85.2	Confident	80.4	Confident	15 Å²	15	39 Å²	39	12%	0.124	20%	0.198	C	C	.	.			trans	-69.1	133.2	168.9	0	0	0	0	0	109.8	L343 L382 V383 Y390	L343-A393 HydrophobicContact CD1-CB 3.8Å; L382-A393 HydrophobicContact CD1-CB 3.92Å; L382-A393 HydrophobicContact CG-CB 4.43Å; V383-A393 CarbonylContact O-C 3.56Å; V383-A393 WeakPolarHBondContact O-CA 3.42Å; V383-A393 WeakPolarHBondContact O-CB 3.48Å; Y390-A393 VanDerWaalsContact O-CB 3.26Å; Y390-A393 WeakPolarHBondContact O-CB 3.47Å; Y390-A393 PolarHBondContact O-N 3.39Å; Y390-A393 VanDerWaalsContact O-N 3.1Å
394	T	85.6	Confident	79.2	Confident	6 Å²	6	40.1 Å²	40.1	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.9	-172.6	55.7	0	0	0	0	112.7	V383 W385 E396	V383-T394 PolarHBondContact N-O 3.1Å; V383-T394 PolarHBondContact O-N 2.82Å; W385-T394 PolarHBondContact NE1-OG1 3.39Å; T394-E396 WeakPolarHBondContact CB-OE1 3.42Å; T394-E396 PolarHBondContact O-N 2.88Å; T394-E396 PolarHBondContact OG1-OE1 2.75Å
395	W	85.2	Confident	78.1	Confident	82 Å²	82	39.7 Å²	39.7	31%	0.311	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.7	170.7	-72.2	100.5	0	0	0	109.2	A344 E380 L382 R427 Y586	A344-W395 HydrophobicContact CB-CH2 3.83Å; A344-W395 HydrophobicContact CB-CZ2 4.48Å; E380-W395 HydrophobicContact CB-CE3 3.93Å; E380-W395 HydrophobicContact CB-CZ3 4.34Å; L382-W395 HydrophobicContact CB-CD2 3.91Å; L382-W395 HydrophobicContact CB-CE3 3.84Å; L382-W395 HydrophobicContact CB-CH2 3.87Å; L382-W395 HydrophobicContact CB-CZ2 3.9Å; L382-W395 HydrophobicContact CB-CZ3 3.83Å; L382-W395 HydrophobicContact CD1-CD2 4.22Å; L382-W395 HydrophobicContact CD1-CG 4.22Å; L382-W395 HydrophobicContact CD2-CZ2 4.01Å; L382-W395 HydrophobicContact CG-CZ2 4.41Å; W395-R427 PolarHBondContact O-NH1 3.37Å; W395-R427 PolarHBondContact O-NH2 3.41Å; W395-Y586 HydrophobicContact CZ2-CE1 4.38Å
396	E	85	Confident	77	Confident	3 Å²	3	44 Å²	44	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.3	-179.2	-59.5	-61.2	163.8	0	0	110	S199 H202 V381 V383 W385 T394 R427 L430	S199-E396 VanDerWaalsContact CB-OE1 3.23Å; S199-E396 WeakPolarHBondContact CB-OE1 3.48Å; S199-E396 PolarHBondContact OG-OE1 2.79Å; H202-E396 IonicContact NE2-OE2 4Å; V381-E396 PolarHBondContact N-O 3.48Å; V381-E396 PolarHBondContact O-N 3.08Å; V383-E396 HydrophobicContact CB-CG 4.46Å; V383-E396 HydrophobicContact CG2-CB 4.39Å; V383-E396 HydrophobicContact CG2-CG 4.25Å; W385-E396 HydrophobicContact CZ2-CG 4.01Å; T394-E396 WeakPolarHBondContact CB-OE1 3.42Å; T394-E396 PolarHBondContact O-N 2.88Å; T394-E396 PolarHBondContact OG1-OE1 2.75Å; E396-R427 IonicContact OE2-NH1 3.82Å; E396-L430 HydrophobicContact CB-CD1 4.06Å; E396-L430 HydrophobicContact CG-CD1 3.96Å
397	T	82.9	Confident	75.9	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.6	178.8	48.7	0	0	0	0	112.4	F349 E380 D423 L429	F349-T397 HydrophobicContact CZ-CG2 4.13Å; E380-T397 HydrophobicContact CG-CG2 3.7Å; T397-D423 WeakPolarHBondContact CB-OD2 3.33Å; T397-D423 WeakPolarHBondContact CG2-OD2 3.45Å; T397-D423 PolarHBondContact OG1-OD2 2.84Å; T397-L429 WeakPolarHBondContact OG1-CD2 3.35Å
398	V	81.4	Confident	74.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.7	-170.7	-168.4	0	0	0	0	109.1	Y378 R379 V381 R435 I438 I439	Y378-V398 CarbonylContact C-O 3.54Å; Y378-V398 VanDerWaalsContact CA-O 3.32Å; Y378-V398 WeakPolarHBondContact CA-O 3.5Å; R379-V398 PolarHBondContact N-O 3.27Å; R379-V398 PolarHBondContact O-N 2.79Å; V381-V398 HydrophobicContact CG2-CG2 4.43Å; V398-R435 HydrophobicContact CG1-CB 4.13Å; V398-R435 HydrophobicContact CG1-CG 4.3Å; V398-R435 HydrophobicContact CG2-CG 4.41Å; V398-I438 HydrophobicContact CG2-CB 4.39Å; V398-I438 HydrophobicContact CG2-CG2 3.92Å; V398-I439 HydrophobicContact CG1-CD1 3.9Å; V398-I439 HydrophobicContact CG1-CG1 3.44Å; V398-I439 VanDerWaalsContact CG1-CG1 3.44Å
399	E	80.6	Confident	73.1	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	154.3	171.7	-65	93.6	145.5	0	0	112.5	Y378 L405 H408 R435	Y378-E399 HydrophobicContact CE1-CG 4.41Å; E399-L405 HydrophobicContact CB-CB 4.49Å; E399-L405 HydrophobicContact CG-CB 4.48Å; E399-L405 VanDerWaalsContact OE1-CD1 3.24Å; E399-L405 WeakPolarHBondContact OE1-CD1 3.28Å; E399-H408 IonicContact OE1-CD2 3.07Å; E399-R435 IonicContact OE1-CZ 2.75Å; E399-R435 IonicContact OE1-NH1 2.98Å; E399-R435 PolarHBondContact OE1-NH1 3.47Å; E399-R435 IonicContact OE2-CZ 2.62Å; E399-R435 IonicContact OE2-NH1 3.29Å; E399-R435 PolarHBondContact OE2-NH1 2.91Å
400	S	71.4	Confident	71.3	Confident	8 Å²	8	46 Å²	46	6%	0.056	26%	0.26	C	S	.	.	S	Bend	trans	-51.6	-58.5	175.5	64	0	0	0	0	111.5	E377 R379 S404	E377-S400 PolarHBondContact O-N 3.47Å; R379-S400 PolarHBondContact NE-O 3.41Å; R379-S400 PolarHBondContact NH2-O 2.76Å; S400-S404 PolarHBondContact OG-OG 3.46Å
401	D	71.8	Confident	69.3	Low	83 Å²	83	50.6 Å²	50.6	44%	0.444	29%	0.285	S	S	.	.	S	Bend	trans	-126.4	157.1	-170.4	-52.8	-69.3	0	0	0	111.1	L403 S404 L405	D401-L403 HydrophobicContact CB-CB 4.27Å; D401-L403 PolarHBondContact O-N 3.16Å; D401-L403 VanDerWaalsContact O-N 3.11Å; D401-S404 WeakPolarHBondContact O-CB 3.37Å; D401-S404 PolarHBondContact O-N 2.86Å; D401-L405 PolarHBondContact O-N 2.78Å; D401-L405 VanDerWaalsContact O-N 3.16Å
402	I	74	Confident	67.4	Low	49 Å²	49	50.8 Å²	50.8	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-23.7	170.6	-157.2	164.9	0	0	0	112	N406 R436 I439	I402-N406 WeakPolarHBondContact O-CB 3.43Å; I402-N406 PolarHBondContact O-N 3.39Å; I402-N406 VanDerWaalsContact O-N 3.09Å; I402-N406 PolarHBondContact O-ND2 2.85Å; I402-N406 VanDerWaalsContact O-ND2 3.14Å; I402-R436 HydrophobicContact CD1-CG 3.96Å; I402-R436 HydrophobicContact CG1-CG 4.3Å; I402-I439 HydrophobicContact CB-CG2 4.04Å
403	L	64.4	Low	65.2	Low	125 Å²	125	58.4 Å²	58.4	65%	0.654	32%	0.317	S	S	*	.	H	α-helix	trans	-69.9	-40.6	172.4	-62.6	175.4	0	0	0	112.3	D401 N406 S407	D401-L403 HydrophobicContact CB-CB 4.27Å; D401-L403 PolarHBondContact O-N 3.16Å; D401-L403 VanDerWaalsContact O-N 3.11Å; L403-N406 PolarHBondContact O-N 3.07Å; L403-S407 WeakPolarHBondContact O-CB 3.36Å; L403-S407 PolarHBondContact O-N 2.92Å; L403-S407 PolarHBondContact O-OG 2.96Å
404	S	63.4	Low	62.9	Low	23 Å²	23	62.1 Å²	62.1	16%	0.161	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-44	175.6	-63.1	0	0	0	0	110.9	S400 D401 S407	S400-S404 PolarHBondContact OG-OG 3.46Å; D401-S404 WeakPolarHBondContact O-CB 3.37Å; D401-S404 PolarHBondContact O-N 2.86Å; S404-S407 WeakPolarHBondContact O-CB 3.49Å; S404-S407 PolarHBondContact O-N 3.43Å
405	L	65.8	Low	60.6	Low	9 Å²	9	67.6 Å²	67.6	5%	0.047	37%	0.367	C	S	.	.	H	α-helix	trans	-58.8	-47.8	173.1	176	63.8	0	0	0	112.4	E399 D401 S407 H408 R432 R436 I439	E399-L405 HydrophobicContact CB-CB 4.49Å; E399-L405 HydrophobicContact CG-CB 4.48Å; E399-L405 VanDerWaalsContact OE1-CD1 3.24Å; E399-L405 WeakPolarHBondContact OE1-CD1 3.28Å; D401-L405 PolarHBondContact O-N 2.78Å; D401-L405 VanDerWaalsContact O-N 3.16Å; L405-S407 VanDerWaalsContact C-N 3.29Å; L405-S407 PolarHBondContact O-N 2.8Å; L405-H408 PolarHBondContact O-N 3.03Å; L405-R432 HydrophobicContact CD1-CG 4.27Å; L405-R436 HydrophobicContact CD2-CB 3.69Å; L405-R436 HydrophobicContact CD2-CG 4.09Å; L405-I439 HydrophobicContact CB-CD1 4.13Å; L405-I439 HydrophobicContact CD2-CD1 4.05Å
406	N	61.9	Low	58.3	Low	93 Å²	93	72 Å²	72	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-66.2	-29.4	180	-72.8	-23.6	0	0	0	113.1	I402 L403 H408 G409	I402-N406 WeakPolarHBondContact O-CB 3.43Å; I402-N406 PolarHBondContact O-N 3.39Å; I402-N406 VanDerWaalsContact O-N 3.09Å; I402-N406 PolarHBondContact O-ND2 2.85Å; I402-N406 VanDerWaalsContact O-ND2 3.14Å; L403-N406 PolarHBondContact O-N 3.07Å; N406-H408 PolarHBondContact O-N 3.33Å; N406-G409 PolarHBondContact O-N 2.95Å
407	S	57.3	Low	55.9	Low	92 Å²	92	77.2 Å²	77.2	64%	0.643	43%	0.426	S	S	*	.	H	α-helix	trans	-61.8	-24.1	-180	-63.6	0	0	0	0	113.2	L403 S404 L405 G409	L403-S407 WeakPolarHBondContact O-CB 3.36Å; L403-S407 PolarHBondContact O-N 2.92Å; L403-S407 PolarHBondContact O-OG 2.96Å; S404-S407 WeakPolarHBondContact O-CB 3.49Å; S404-S407 PolarHBondContact O-N 3.43Å; L405-S407 VanDerWaalsContact C-N 3.29Å; L405-S407 PolarHBondContact O-N 2.8Å; S407-G409 PolarHBondContact O-N 2.83Å
408	H	50.5	Low	53.6	Low	49 Å²	49	81.2 Å²	81.2	23%	0.227	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	7.4	174	-71.3	-65.7	0	0	0	114.4	E399 L405 N406 V410 H412 R432	E399-H408 IonicContact OE1-CD2 3.07Å; L405-H408 PolarHBondContact O-N 3.03Å; N406-H408 PolarHBondContact O-N 3.33Å; H408-V410 PolarHBondContact O-N 3.31Å; H408-H412 PolarHBondContact O-CD2 2.99Å; H408-H412 PolarHBondContact O-NE2 3.26Å; H408-R432 PolarHBondContact O-NH2 3.06Å
409	G	44.2	Very low	51.8	Low	44 Å²	44	90 Å²	90	45%	0.454	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.4	-173.7	0	0	0	0	0	117	N406 S407	N406-G409 PolarHBondContact O-N 2.95Å; S407-G409 PolarHBondContact O-N 2.83Å
410	V	40.3	Very low	50.3	Low	125 Å²	125	96.1 Å²	96.1	76%	0.758	51%	0.511	S	S	*	.	S	Bend	trans	-101.5	-41.3	-151.7	-174.4	0	0	0	0	116.1	H408	H408-V410 PolarHBondContact O-N 3.31Å
411	D	39.2	Very low	49.4	Very low	117 Å²	117	98.7 Å²	98.7	63%	0.626	53%	0.526	S	S	*	.			trans	-112.5	8.7	-163.9	-86.4	-52.3	0	0	0	116.6	K413 S414	D411-K413 PolarHBondContact O-N 3.37Å; D411-S414 PolarHBondContact O-OG 3.44Å
412	H	41.4	Very low	48.6	Very low	84 Å²	84	96.9 Å²	96.9	39%	0.389	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-2.5	-170.4	-85.1	-61.6	0	0	0	118	H408 R432	H408-H412 PolarHBondContact O-CD2 2.99Å; H408-H412 PolarHBondContact O-NE2 3.26Å; H412-R432 PolarHBondContact CD2-NH2 3.27Å; H412-R432 PolarHBondContact NE2-NH2 3.32Å
413	K	37.2	Very low	48	Very low	210 Å²	210	95 Å²	95	91%	0.913	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.7	-177.9	-75	-177.6	177.4	174.7	0	115	D411	D411-K413 PolarHBondContact O-N 3.37Å
414	S	37.3	Very low	47.6	Very low	94 Å²	94	92.8 Å²	92.8	66%	0.657	50%	0.499	S	S	*	.	S	Bend	trans	-111.1	-12.5	-175.2	47.3	0	0	0	0	115.8	D411	D411-S414 PolarHBondContact O-OG 3.44Å
415	Q	37.6	Very low	47	Very low	121 Å²	121	94.9 Å²	94.9	57%	0.565	51%	0.513	S	S	*	.	S	Bend	trans	-105.6	-1.3	-175.3	-71.8	175	-36.3	0	0	114.5	S417 V418	Q415-S417 PolarHBondContact O-N 3Å; Q415-V418 PolarHBondContact O-N 3.23Å
416	K	37.2	Very low	46.5	Very low	174 Å²	174	96.5 Å²	96.5	76%	0.757	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-11.6	-170.2	-92.9	-160.8	173.1	-156.4	0	116.7
417	S	33	Very low	46.7	Very low	113 Å²	113	93.7 Å²	93.7	79%	0.79	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	6.1	-171.8	64.7	0	0	0	0	115.7	Q415	Q415-S417 PolarHBondContact O-N 3Å
418	V	36.3	Very low	47.1	Very low	88 Å²	88	92 Å²	92	53%	0.533	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-35.8	-170.6	-160.8	0	0	0	0	114.7	Q415	Q415-V418 PolarHBondContact O-N 3.23Å
419	Y	43	Very low	48.1	Very low	184 Å²	184	91.8 Å²	91.8	72%	0.722	50%	0.499	S	S	*	.			trans	-138.1	105.6	-175.8	-56.2	-70.9	0	0	0	112.5
420	K	49.8	Very low	49.7	Very low	134 Å²	134	90 Å²	90	58%	0.583	48%	0.479	S	S	*	.			trans	-74.9	123.8	156.3	-110.4	-170.5	174.3	-164.9	0	107.6	L422 N428	K420-L422 PolarHBondContact O-N 2.94Å; K420-N428 PolarHBondContact NZ-OD1 3.35Å
421	V	52.4	Low	51.3	Low	62 Å²	62	85.2 Å²	85.2	38%	0.376	45%	0.451	S	S	.	.			trans	-75.6	120.1	171.7	-177.6	0	0	0	0	107.6	L429	V421-L429 HydrophobicContact CB-CD1 4.35Å; V421-L429 HydrophobicContact CG1-CD1 3.95Å
422	L	55.2	Low	52.8	Low	44 Å²	44	81.2 Å²	81.2	23%	0.23	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-109.8	146.4	174.5	-58.6	175.6	0	0	0	109.3	K420 R427	K420-L422 PolarHBondContact O-N 2.94Å; L422-R427 CarbonylContact C-O 3.5Å; L422-R427 VanDerWaalsContact CA-O 3.27Å; L422-R427 WeakPolarHBondContact CA-O 3.49Å
423	D	61.4	Low	54.2	Low	9 Å²	9	79.3 Å²	79.3	5%	0.048	42%	0.419	C	S	.	.			trans	-50.5	154.5	162.9	175.6	-73.1	0	0	0	110.9	T397 C425 G426 R427	T397-D423 WeakPolarHBondContact CB-OD2 3.33Å; T397-D423 WeakPolarHBondContact CG2-OD2 3.45Å; T397-D423 PolarHBondContact OG1-OD2 2.84Å; D423-C425 PolarHBondContact O-N 3.18Å; D423-C425 VanDerWaalsContact O-N 3.1Å; D423-C425 WeakPolarHBondContact OD1-CA 3.25Å; D423-C425 WeakPolarHBondContact OD1-CB 3.35Å; D423-C425 PolarHBondContact OD1-N 3.41Å; D423-G426 WeakPolarHBondContact O-CA 3.3Å; D423-G426 PolarHBondContact O-N 3.11Å; D423-R427 HydrophobicContact CB-CB 3.83Å; D423-R427 WeakPolarHBondContact CB-O 3.43Å; D423-R427 PolarHBondContact N-O 3.14Å; D423-R427 IonicContact OD1-CZ 3.96Å; D423-R427 IonicContact OD1-NE 3.6Å; D423-R427 PolarHBondContact OD1-NE 2.86Å; D423-R427 IonicContact OD1-NH2 3.7Å; D423-R427 IonicContact OD2-CZ 3.68Å; D423-R427 VanDerWaalsContact OD2-CZ 3.32Å; D423-R427 IonicContact OD2-NE 3.97Å; D423-R427 PolarHBondContact OD2-NE 2.65Å; D423-R427 IonicContact OD2-NH2 3.88Å; D423-R427 PolarHBondContact OD2-NH2 3.1Å
424	P	54.7	Low	56.1	Low	79 Å²	79	69.4 Å²	69.4	51%	0.513	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-32.3	173.8	-29.1	37.1	0	0	0	115.1	F349 G426	F349-P424 HydrophobicContact CE2-CG 3.5Å; F349-P424 HydrophobicContact CZ-CG 3.66Å; P424-G426 VanDerWaalsContact C-N 3.28Å; P424-G426 PolarHBondContact O-N 3.16Å
425	C	51	Low	58.3	Low	67 Å²	67	65.6 Å²	65.6	45%	0.453	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	12.1	174.5	-62.9	0	0	0	0	114	D423 R427	D423-C425 PolarHBondContact O-N 3.18Å; D423-C425 VanDerWaalsContact O-N 3.1Å; D423-C425 WeakPolarHBondContact OD1-CA 3.25Å; D423-C425 WeakPolarHBondContact OD1-CB 3.35Å; D423-C425 PolarHBondContact OD1-N 3.41Å; C425-R427 VanDerWaalsContact C-N 3.33Å; C425-R427 HydrophobicContact CB-CG 4.34Å; C425-R427 PolarHBondContact O-N 2.92Å
426	G	56.3	Low	60.4	Low	44 Å²	44	63.5 Å²	63.5	45%	0.454	33%	0.334	S	S	.	.	S	Bend	trans	77.7	7.9	178.7	0	0	0	0	0	115.7	D423 P424	D423-G426 WeakPolarHBondContact O-CA 3.3Å; D423-G426 PolarHBondContact O-N 3.11Å; P424-G426 VanDerWaalsContact C-N 3.28Å; P424-G426 PolarHBondContact O-N 3.16Å
427	R	64.4	Low	62.4	Low	34 Å²	34	56 Å²	56	13%	0.128	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-77.2	150.2	-179.1	-54.2	179.1	-72.9	175.8	-6	112.1	W395 E396 L422 D423 C425	W395-R427 PolarHBondContact O-NH1 3.37Å; W395-R427 PolarHBondContact O-NH2 3.41Å; E396-R427 IonicContact OE2-NH1 3.82Å; L422-R427 CarbonylContact C-O 3.5Å; L422-R427 VanDerWaalsContact CA-O 3.27Å; L422-R427 WeakPolarHBondContact CA-O 3.49Å; D423-R427 HydrophobicContact CB-CB 3.83Å; D423-R427 WeakPolarHBondContact CB-O 3.43Å; D423-R427 PolarHBondContact N-O 3.14Å; D423-R427 IonicContact OD1-CZ 3.96Å; D423-R427 IonicContact OD1-NE 3.6Å; D423-R427 PolarHBondContact OD1-NE 2.86Å; D423-R427 IonicContact OD1-NH2 3.7Å; D423-R427 IonicContact OD2-CZ 3.68Å; D423-R427 VanDerWaalsContact OD2-CZ 3.32Å; D423-R427 IonicContact OD2-NE 3.97Å; D423-R427 PolarHBondContact OD2-NE 2.65Å; D423-R427 IonicContact OD2-NH2 3.88Å; D423-R427 PolarHBondContact OD2-NH2 3.1Å; C425-R427 VanDerWaalsContact C-N 3.33Å; C425-R427 HydrophobicContact CB-CG 4.34Å; C425-R427 PolarHBondContact O-N 2.92Å
428	N	66.4	Low	64.9	Low	57 Å²	57	50.6 Å²	50.6	31%	0.305	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-68.2	138.5	163.9	-62.7	-77.2	0	0	0	109.1	H202 K420	H202-N428 PolarHBondContact CE1-O 2.87Å; K420-N428 PolarHBondContact NZ-OD1 3.35Å
429	L	71.1	Confident	67.3	Low	44 Å²	44	46.5 Å²	46.5	23%	0.23	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-64.5	151	175.1	-66.6	172.7	0	0	0	112.1	Y378 T397 V421	Y378-L429 HydrophobicContact CE1-CD1 4.35Å; T397-L429 WeakPolarHBondContact OG1-CD2 3.35Å; V421-L429 HydrophobicContact CB-CD1 4.35Å; V421-L429 HydrophobicContact CG1-CD1 3.95Å
430	L	78.7	Confident	69.2	Low	7 Å²	7	42.7 Å²	42.7	4%	0.037	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-62.3	159.1	174.6	-65.3	178.5	0	0	0	112.6	W201 W385 E396 V434 R435 I438	W201-L430 HydrophobicContact CB-CD2 3.45Å; W201-L430 VanDerWaalsContact CB-CD2 3.45Å; W201-L430 HydrophobicContact CG-CD2 3.73Å; W385-L430 HydrophobicContact CH2-CD1 4.28Å; E396-L430 HydrophobicContact CB-CD1 4.06Å; E396-L430 HydrophobicContact CG-CD1 3.96Å; L430-V434 HydrophobicContact CD1-CG1 4.26Å; L430-R435 HydrophobicContact CB-CG 3.96Å; L430-R435 PolarHBondContact O-NE 3.2Å; L430-R435 PolarHBondContact O-NH2 3.47Å; L430-I438 HydrophobicContact CD1-CD1 3.79Å
431	P	73.9	Confident	70.9	Confident	24 Å²	24	37.8 Å²	37.8	16%	0.156	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-58	145.2	176	-23.9	34.3	0	0	0	112.9	W201 L433 V434 R435	W201-P431 HydrophobicContact CE3-CG 3.97Å; W201-P431 HydrophobicContact CH2-CG 4.25Å; W201-P431 HydrophobicContact CZ3-CG 3.69Å; P431-L433 VanDerWaalsContact C-N 3.26Å; P431-L433 PolarHBondContact O-N 3.47Å; P431-L433 VanDerWaalsContact O-N 3.13Å; P431-V434 HydrophobicContact CB-CG2 4.28Å; P431-V434 HydrophobicContact CG-CG2 4.42Å; P431-V434 PolarHBondContact O-N 2.9Å; P431-R435 PolarHBondContact O-N 3.4Å; P431-R435 VanDerWaalsContact O-N 3.1Å
432	R	70.2	Confident	72.5	Confident	33 Å²	33	34.9 Å²	34.9	13%	0.125	19%	0.186	C	C	.	.	H	α-helix	trans	-52.8	-38.3	-174.6	-83.7	-179.7	156.8	163.1	-2.6	114.9	D296 L405 H408 H412 R435 R436	D296-R432 WeakPolarHBondContact OD1-CB 3.29Å; D296-R432 WeakPolarHBondContact OD1-CD 3.27Å; D296-R432 WeakPolarHBondContact OD1-CG 3.49Å; D296-R432 IonicContact OD2-NE 2.92Å; L405-R432 HydrophobicContact CD1-CG 4.27Å; H408-R432 PolarHBondContact O-NH2 3.06Å; H412-R432 PolarHBondContact CD2-NH2 3.27Å; H412-R432 PolarHBondContact NE2-NH2 3.32Å; R432-R435 PolarHBondContact O-N 3.21Å; R432-R436 WeakPolarHBondContact O-CB 3.47Å; R432-R436 PolarHBondContact O-N 2.94Å
433	L	71.1	Confident	73.8	Confident	43 Å²	43	35.7 Å²	35.7	23%	0.225	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-39.7	-179.6	-66.6	168.3	0	0	0	112.1	W301 W312 P431 R436 H437	W301-L433 HydrophobicContact CE3-CD1 4.41Å; W301-L433 HydrophobicContact CH2-CD1 3.24Å; W301-L433 HydrophobicContact CZ2-CD1 3.72Å; W301-L433 HydrophobicContact CZ3-CD1 3.64Å; W312-L433 HydrophobicContact CH2-CD1 4.41Å; W312-L433 HydrophobicContact CZ2-CD1 4.44Å; P431-L433 VanDerWaalsContact C-N 3.26Å; P431-L433 PolarHBondContact O-N 3.47Å; P431-L433 VanDerWaalsContact O-N 3.13Å; L433-R436 PolarHBondContact O-N 3.03Å; L433-H437 PolarHBondContact O-N 3.48Å; L433-H437 VanDerWaalsContact O-N 3.12Å
434	V	77.2	Confident	74.8	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-44.1	176.4	-175.2	0	0	0	0	109.8	W201 P339 L430 P431 R436 H437 I438	W201-V434 HydrophobicContact CH2-CG2 4.05Å; W201-V434 HydrophobicContact CZ2-CG2 3.64Å; P339-V434 HydrophobicContact CG-CG1 4.06Å; L430-V434 HydrophobicContact CD1-CG1 4.26Å; P431-V434 HydrophobicContact CB-CG2 4.28Å; P431-V434 HydrophobicContact CG-CG2 4.42Å; P431-V434 PolarHBondContact O-N 2.9Å; V434-R436 PolarHBondContact O-N 3.32Å; V434-H437 WeakPolarHBondContact O-CB 3.25Å; V434-H437 PolarHBondContact O-N 2.92Å; V434-H437 VanDerWaalsContact O-N 3.14Å; V434-I438 HydrophobicContact CG1-CD1 3.98Å; V434-I438 WeakPolarHBondContact O-CG1 3.31Å; V434-I438 PolarHBondContact O-N 3.19Å
435	R	83.6	Confident	76.2	Confident	14 Å²	14	37.9 Å²	37.9	5%	0.053	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-42.3	174.2	-75.3	-171.9	-75.1	120.7	-5.9	112.9	V398 E399 L430 P431 R432 H437 I438 I439	V398-R435 HydrophobicContact CG1-CB 4.13Å; V398-R435 HydrophobicContact CG1-CG 4.3Å; V398-R435 HydrophobicContact CG2-CG 4.41Å; E399-R435 IonicContact OE1-CZ 2.75Å; E399-R435 IonicContact OE1-NH1 2.98Å; E399-R435 PolarHBondContact OE1-NH1 3.47Å; E399-R435 IonicContact OE2-CZ 2.62Å; E399-R435 IonicContact OE2-NH1 3.29Å; E399-R435 PolarHBondContact OE2-NH1 2.91Å; L430-R435 HydrophobicContact CB-CG 3.96Å; L430-R435 PolarHBondContact O-NE 3.2Å; L430-R435 PolarHBondContact O-NH2 3.47Å; P431-R435 PolarHBondContact O-N 3.4Å; P431-R435 VanDerWaalsContact O-N 3.1Å; R432-R435 PolarHBondContact O-N 3.21Å; R435-H437 PolarHBondContact O-N 3.4Å; R435-I438 PolarHBondContact O-N 3.39Å; R435-I439 WeakPolarHBondContact O-CG1 3.44Å; R435-I439 PolarHBondContact O-N 3.08Å
436	R	81.2	Confident	77.7	Confident	76 Å²	76	37.5 Å²	37.5	29%	0.287	20%	0.195	S	C	.	.	H	α-helix	trans	-57.9	-34.7	173.7	-165.3	179.7	-178.8	-160.1	-0.6	112.3	I402 L405 R432 L433 V434 R440	I402-R436 HydrophobicContact CD1-CG 3.96Å; I402-R436 HydrophobicContact CG1-CG 4.3Å; L405-R436 HydrophobicContact CD2-CB 3.69Å; L405-R436 HydrophobicContact CD2-CG 4.09Å; R432-R436 WeakPolarHBondContact O-CB 3.47Å; R432-R436 PolarHBondContact O-N 2.94Å; L433-R436 PolarHBondContact O-N 3.03Å; V434-R436 PolarHBondContact O-N 3.32Å; R436-R440 PolarHBondContact O-N 2.95Å
437	H	80.3	Confident	78.9	Confident	16 Å²	16	39 Å²	39	7%	0.074	20%	0.199	C	C	.	.	H	α-helix	trans	-73.8	-44.8	175.6	-168.3	86	0	0	0	112.3	V309 L433 V434 R435 I439 R440 L441	V309-H437 WeakPolarHBondContact CB-ND1 3.33Å; V309-H437 HydrophobicContact CG1-CB 4.3Å; V309-H437 HydrophobicContact CG2-CB 4.18Å; L433-H437 PolarHBondContact O-N 3.48Å; L433-H437 VanDerWaalsContact O-N 3.12Å; V434-H437 WeakPolarHBondContact O-CB 3.25Å; V434-H437 PolarHBondContact O-N 2.92Å; V434-H437 VanDerWaalsContact O-N 3.14Å; R435-H437 PolarHBondContact O-N 3.4Å; H437-I439 VanDerWaalsContact C-N 3.3Å; H437-I439 PolarHBondContact O-N 3.35Å; H437-R440 WeakPolarHBondContact O-CB 3.33Å; H437-R440 PolarHBondContact O-N 3.23Å; H437-R440 VanDerWaalsContact O-N 3.12Å; H437-L441 PolarHBondContact O-N 2.79Å
438	I	85.6	Confident	79.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-37.3	177.3	-63.7	163	0	0	0	111.5	P339 V381 V383 V398 L430 V434 R435 L441 A442	P339-I438 HydrophobicContact CB-CG1 4.18Å; P339-I438 HydrophobicContact CG-CD1 4.35Å; P339-I438 HydrophobicContact CG-CG1 3.9Å; V381-I438 HydrophobicContact CB-CG2 4.15Å; V381-I438 HydrophobicContact CG1-CG2 3.9Å; V381-I438 HydrophobicContact CG2-CG2 4.46Å; V383-I438 HydrophobicContact CG2-CD1 4.16Å; V383-I438 HydrophobicContact CG2-CG1 4.22Å; V383-I438 HydrophobicContact CG2-CG2 3.88Å; V398-I438 HydrophobicContact CG2-CB 4.39Å; V398-I438 HydrophobicContact CG2-CG2 3.92Å; L430-I438 HydrophobicContact CD1-CD1 3.79Å; V434-I438 HydrophobicContact CG1-CD1 3.98Å; V434-I438 WeakPolarHBondContact O-CG1 3.31Å; V434-I438 PolarHBondContact O-N 3.19Å; R435-I438 PolarHBondContact O-N 3.39Å; I438-L441 PolarHBondContact O-N 3.1Å; I438-A442 WeakPolarHBondContact O-CB 3.38Å; I438-A442 PolarHBondContact O-N 2.91Å
439	I	84.9	Confident	80.3	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-52.9	171.5	-67.9	173	0	0	0	110.4	V398 I402 L405 R435 H437 L441 A442 D443	V398-I439 HydrophobicContact CG1-CD1 3.9Å; V398-I439 HydrophobicContact CG1-CG1 3.44Å; V398-I439 VanDerWaalsContact CG1-CG1 3.44Å; I402-I439 HydrophobicContact CB-CG2 4.04Å; L405-I439 HydrophobicContact CB-CD1 4.13Å; L405-I439 HydrophobicContact CD2-CD1 4.05Å; R435-I439 WeakPolarHBondContact O-CG1 3.44Å; R435-I439 PolarHBondContact O-N 3.08Å; H437-I439 VanDerWaalsContact C-N 3.3Å; H437-I439 PolarHBondContact O-N 3.35Å; I439-L441 VanDerWaalsContact C-N 3.3Å; I439-L441 PolarHBondContact O-N 2.9Å; I439-A442 WeakPolarHBondContact O-CB 3.23Å; I439-A442 PolarHBondContact O-N 3.21Å; I439-A442 VanDerWaalsContact O-N 3.09Å; I439-D443 WeakPolarHBondContact CG2-OD2 3.29Å; I439-D443 PolarHBondContact O-N 3.04Å
440	R	84.4	Confident	80.6	Confident	104 Å²	104	39 Å²	39	39%	0.392	21%	0.206	S	C	.	.	H	α-helix	trans	-55.4	-43.9	177.4	-73.4	174.2	167.3	177.5	-5.8	112	R436 H437 D443 T444	R436-R440 PolarHBondContact O-N 2.95Å; H437-R440 WeakPolarHBondContact O-CB 3.33Å; H437-R440 PolarHBondContact O-N 3.23Å; H437-R440 VanDerWaalsContact O-N 3.12Å; R440-D443 PolarHBondContact O-N 3.11Å; R440-T444 WeakPolarHBondContact O-CG2 3.47Å; R440-T444 PolarHBondContact O-N 2.79Å; R440-T444 PolarHBondContact O-OG1 3.48Å
441	L	84.9	Confident	80.6	Confident	32 Å²	32	42.3 Å²	42.3	17%	0.168	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-41.3	177.2	-66.9	178.9	0	0	0	112.1	P339 V342 H437 I438 I439 D443 T444 Y445	P339-L441 HydrophobicContact CB-CD1 3.82Å; V342-L441 HydrophobicContact CG2-CB 3.77Å; H437-L441 PolarHBondContact O-N 2.79Å; I438-L441 PolarHBondContact O-N 3.1Å; I439-L441 VanDerWaalsContact C-N 3.3Å; I439-L441 PolarHBondContact O-N 2.9Å; L441-D443 VanDerWaalsContact C-N 3.33Å; L441-D443 PolarHBondContact O-N 3.43Å; L441-T444 WeakPolarHBondContact CA-OG1 3.45Å; L441-T444 PolarHBondContact O-N 3.36Å; L441-T444 PolarHBondContact O-OG1 3.05Å; L441-Y445 WeakPolarHBondContact O-CB 3.26Å; L441-Y445 PolarHBondContact O-N 3.17Å
442	A	85.2	Confident	80.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-37.9	175.8	0	0	0	0	0	112.2	V342 I345 I438 I439 Y445 C446	V342-A442 HydrophobicContact CG2-CB 4.37Å; I345-A442 HydrophobicContact CD1-CB 3.83Å; I345-A442 HydrophobicContact CG1-CB 4.37Å; I438-A442 WeakPolarHBondContact O-CB 3.38Å; I438-A442 PolarHBondContact O-N 2.91Å; I439-A442 WeakPolarHBondContact O-CB 3.23Å; I439-A442 PolarHBondContact O-N 3.21Å; I439-A442 VanDerWaalsContact O-N 3.09Å; A442-Y445 WeakPolarHBondContact O-CB 3.48Å; A442-Y445 PolarHBondContact O-N 3.15Å; A442-C446 PolarHBondContact O-N 3.24Å; A442-C446 PolarHBondContact O-SG 3.33Å
443	D	83.9	Confident	80.8	Confident	61 Å²	61	42.3 Å²	42.3	33%	0.326	23%	0.228	S	C	.	.	H	α-helix	trans	-72.2	-36.2	178.9	-55.3	-15.8	0	0	0	111	R379 I439 R440 L441 C446 S447	R379-D443 IonicContact CZ-OD1 3.36Å; R379-D443 IonicContact NH1-OD1 3.25Å; R379-D443 IonicContact NH2-OD1 2.62Å; R379-D443 PolarHBondContact NH2-OD1 2.84Å; I439-D443 WeakPolarHBondContact CG2-OD2 3.29Å; I439-D443 PolarHBondContact O-N 3.04Å; R440-D443 PolarHBondContact O-N 3.11Å; L441-D443 VanDerWaalsContact C-N 3.33Å; L441-D443 PolarHBondContact O-N 3.43Å; D443-C446 PolarHBondContact O-N 2.69Å; D443-S447 PolarHBondContact O-N 2.8Å; D443-S447 PolarHBondContact O-OG 3.38Å
444	T	82.9	Confident	81	Confident	86 Å²	86	44.5 Å²	44.5	53%	0.528	25%	0.245	S	C	.	.	H	α-helix	trans	-68.1	-35.9	169.6	60.2	0	0	0	0	113	R440 L441 S447 R448	R440-T444 WeakPolarHBondContact O-CG2 3.47Å; R440-T444 PolarHBondContact O-N 2.79Å; R440-T444 PolarHBondContact O-OG1 3.48Å; L441-T444 WeakPolarHBondContact CA-OG1 3.45Å; L441-T444 PolarHBondContact O-N 3.36Å; L441-T444 PolarHBondContact O-OG1 3.05Å; T444-S447 PolarHBondContact O-N 2.92Å; T444-R448 WeakPolarHBondContact O-CB 3.43Å; T444-R448 PolarHBondContact O-N 2.85Å
445	Y	83.3	Confident	80.8	Confident	48 Å²	48	45.8 Å²	45.8	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-46.8	172.5	169.5	-81.6	0	0	0	110.8	V342 I345 L441 A442 S447 R448 V449	V342-Y445 HydrophobicContact CG1-CD2 4.34Å; V342-Y445 HydrophobicContact CG1-CG 4.24Å; V342-Y445 WeakPolarHBondContact O-CD2 3.47Å; I345-Y445 HydrophobicContact CD1-CD1 3.6Å; I345-Y445 HydrophobicContact CD1-CE1 4.13Å; I345-Y445 HydrophobicContact CD1-CG 4.44Å; I345-Y445 HydrophobicContact CG1-CD1 4.19Å; I345-Y445 HydrophobicContact CG1-CE1 4.4Å; L441-Y445 WeakPolarHBondContact O-CB 3.26Å; L441-Y445 PolarHBondContact O-N 3.17Å; A442-Y445 WeakPolarHBondContact O-CB 3.48Å; A442-Y445 PolarHBondContact O-N 3.15Å; Y445-S447 VanDerWaalsContact C-N 3.31Å; Y445-S447 PolarHBondContact O-N 3.43Å; Y445-R448 PolarHBondContact O-N 3.31Å; Y445-V449 HydrophobicContact CD1-CG2 4.26Å; Y445-V449 HydrophobicContact CE1-CG2 3.82Å; Y445-V449 HydrophobicContact CE2-CG2 4.43Å; Y445-V449 WeakPolarHBondContact O-CG2 3.35Å; Y445-V449 PolarHBondContact O-N 3.05Å
446	C	82.5	Confident	80	Confident	59 Å²	59	46.3 Å²	46.3	40%	0.399	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-41.3	176.6	-65	0	0	0	0	111.8	I345 A442 D443 V449 A450	I345-C446 VanDerWaalsContact CD1-SG 3.53Å; A442-C446 PolarHBondContact O-N 3.24Å; A442-C446 PolarHBondContact O-SG 3.33Å; D443-C446 PolarHBondContact O-N 2.69Å; C446-V449 PolarHBondContact O-N 3.05Å; C446-A450 PolarHBondContact O-N 2.98Å
447	S	82.1	Confident	79.3	Confident	75 Å²	75	47.6 Å²	47.6	52%	0.524	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-43	177	-55.4	0	0	0	0	112	D443 T444 Y445 A450 T451	D443-S447 PolarHBondContact O-N 2.8Å; D443-S447 PolarHBondContact O-OG 3.38Å; T444-S447 PolarHBondContact O-N 2.92Å; Y445-S447 VanDerWaalsContact C-N 3.31Å; Y445-S447 PolarHBondContact O-N 3.43Å; S447-A450 WeakPolarHBondContact O-CB 3.38Å; S447-A450 PolarHBondContact O-N 3.22Å; S447-T451 PolarHBondContact O-N 2.92Å; S447-T451 PolarHBondContact O-OG1 3.48Å
448	R	79.9	Confident	78.2	Confident	51 Å²	51	48.3 Å²	48.3	19%	0.192	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-41.1	176.4	-171.5	-174.4	80.5	-145.3	10.4	112.6	T444 Y445 A450 T451 M452 Y569	T444-R448 WeakPolarHBondContact O-CB 3.43Å; T444-R448 PolarHBondContact O-N 2.85Å; Y445-R448 PolarHBondContact O-N 3.31Å; R448-A450 VanDerWaalsContact C-N 3.34Å; R448-T451 WeakPolarHBondContact CA-OG1 3.33Å; R448-T451 PolarHBondContact O-N 3.24Å; R448-T451 PolarHBondContact O-OG1 3.05Å; R448-M452 HydrophobicContact CG-CE 4.21Å; R448-M452 HydrophobicContact CG-SD 4.28Å; R448-M452 WeakPolarHBondContact O-CB 3.46Å; R448-M452 WeakPolarHBondContact O-CG 3.35Å; R448-M452 PolarHBondContact O-N 3.15Å; R448-Y569 PolarHBondContact NH2-OH 3.21Å
449	V	79.1	Confident	76.7	Confident	34 Å²	34	52.7 Å²	52.7	21%	0.206	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-44	173.9	163.7	0	0	0	0	110.3	Y445 C446 M452 L453 L590	Y445-V449 HydrophobicContact CD1-CG2 4.26Å; Y445-V449 HydrophobicContact CE1-CG2 3.82Å; Y445-V449 HydrophobicContact CE2-CG2 4.43Å; Y445-V449 WeakPolarHBondContact O-CG2 3.35Å; Y445-V449 PolarHBondContact O-N 3.05Å; C446-V449 PolarHBondContact O-N 3.05Å; V449-M452 PolarHBondContact O-N 2.91Å; V449-L453 HydrophobicContact CG1-CD1 3.94Å; V449-L453 VanDerWaalsContact O-CG 3.27Å; V449-L453 WeakPolarHBondContact O-CG 3.45Å; V449-L453 PolarHBondContact O-N 3.22Å; V449-L453 VanDerWaalsContact O-N 3.08Å; V449-L590 HydrophobicContact CB-CD2 4.24Å; V449-L590 HydrophobicContact CG1-CD2 3.73Å; V449-L590 HydrophobicContact CG2-CD2 3.99Å
450	A	78	Confident	75.1	Confident	51 Å²	51	59 Å²	59	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-44.3	176.2	0	0	0	0	0	112.5	C446 S447 R448 L453 C454	C446-A450 PolarHBondContact O-N 2.98Å; S447-A450 WeakPolarHBondContact O-CB 3.38Å; S447-A450 PolarHBondContact O-N 3.22Å; R448-A450 VanDerWaalsContact C-N 3.34Å; A450-L453 PolarHBondContact O-N 3.04Å; A450-C454 PolarHBondContact O-N 3.16Å; A450-C454 PolarHBondContact O-SG 3.31Å
451	T	78.2	Confident	73	Confident	77 Å²	77	61 Å²	61	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-43.8	176.6	50.6	0	0	0	0	112.3	S447 R448 L453 C454 D455	S447-T451 PolarHBondContact O-N 2.92Å; S447-T451 PolarHBondContact O-OG1 3.48Å; R448-T451 WeakPolarHBondContact CA-OG1 3.33Å; R448-T451 PolarHBondContact O-N 3.24Å; R448-T451 PolarHBondContact O-OG1 3.05Å; T451-L453 VanDerWaalsContact C-N 3.29Å; T451-L453 PolarHBondContact O-N 3.32Å; T451-C454 WeakPolarHBondContact O-CB 3.49Å; T451-C454 PolarHBondContact O-N 3.44Å; T451-C454 VanDerWaalsContact O-N 3.12Å; T451-D455 WeakPolarHBondContact O-CB 3.44Å; T451-D455 PolarHBondContact O-N 2.92Å
452	M	75.9	Confident	70.6	Confident	11 Å²	11	63.9 Å²	63.9	5%	0.054	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-36.6	177.9	-75.7	174.1	164.9	0	0	112.8	R448 V449 A456 Y569 L590 A598 H600	R448-M452 HydrophobicContact CG-CE 4.21Å; R448-M452 HydrophobicContact CG-SD 4.28Å; R448-M452 WeakPolarHBondContact O-CB 3.46Å; R448-M452 WeakPolarHBondContact O-CG 3.35Å; R448-M452 PolarHBondContact O-N 3.15Å; V449-M452 PolarHBondContact O-N 2.91Å; M452-A456 VanDerWaalsContact O-CB 3.25Å; M452-A456 WeakPolarHBondContact O-CB 3.46Å; M452-A456 PolarHBondContact O-N 3.29Å; M452-Y569 HydrophobicContact CE-CD1 3.98Å; M452-Y569 HydrophobicContact CE-CG 4.06Å; M452-L590 HydrophobicContact CB-CD1 4.38Å; M452-A598 VanDerWaalsContact CE-O 3.3Å; M452-A598 WeakPolarHBondContact CE-O 3.35Å; M452-H600 WeakPolarHBondContact CE-CE1 2.99Å
453	L	73.8	Confident	68.1	Low	46 Å²	46	70.1 Å²	70.1	24%	0.241	41%	0.407	C	S	.	.	H	α-helix	trans	-69.5	-40.6	174	-67.7	168.5	0	0	0	111.4	V449 A450 T451 A456 Y457 L590 A593 I596	V449-L453 HydrophobicContact CG1-CD1 3.94Å; V449-L453 VanDerWaalsContact O-CG 3.27Å; V449-L453 WeakPolarHBondContact O-CG 3.45Å; V449-L453 PolarHBondContact O-N 3.22Å; V449-L453 VanDerWaalsContact O-N 3.08Å; A450-L453 PolarHBondContact O-N 3.04Å; T451-L453 VanDerWaalsContact C-N 3.29Å; T451-L453 PolarHBondContact O-N 3.32Å; L453-A456 PolarHBondContact O-N 3.26Å; L453-Y457 HydrophobicContact CB-CD2 4.46Å; L453-Y457 HydrophobicContact CD2-CE2 4.15Å; L453-Y457 WeakPolarHBondContact O-CB 3.42Å; L453-Y457 WeakPolarHBondContact O-CD2 2.99Å; L453-Y457 PolarHBondContact O-N 3.21Å; L453-L590 HydrophobicContact CD2-CD1 4.46Å; L453-L590 HydrophobicContact CG-CD2 4.46Å; L453-A593 HydrophobicContact CD2-CB 3.76Å; L453-I596 HydrophobicContact CD2-CD1 4.25Å
454	C	74.6	Confident	65.8	Low	88 Å²	88	70.2 Å²	70.2	60%	0.595	42%	0.422	S	S	*	.	H	α-helix	trans	-62	-44.6	174.8	-66.9	0	0	0	0	112.2	A450 T451 G458	A450-C454 PolarHBondContact O-N 3.16Å; A450-C454 PolarHBondContact O-SG 3.31Å; T451-C454 WeakPolarHBondContact O-CB 3.49Å; T451-C454 PolarHBondContact O-N 3.44Å; T451-C454 VanDerWaalsContact O-N 3.12Å; C454-G458 WeakPolarHBondContact O-CA 3.34Å; C454-G458 PolarHBondContact O-N 2.83Å
455	D	73.5	Confident	63.5	Low	30 Å²	30	75.8 Å²	75.8	16%	0.16	43%	0.434	C	S	.	.	H	α-helix	trans	-62.8	-47.9	177.7	-75.1	4.9	0	0	0	111	T451 G458 N459 W536 Y542	T451-D455 WeakPolarHBondContact O-CB 3.44Å; T451-D455 PolarHBondContact O-N 2.92Å; D455-G458 PolarHBondContact O-N 3.35Å; D455-N459 PolarHBondContact O-N 3.06Å; D455-W536 PolarHBondContact OD2-NE1 3.19Å; D455-Y542 HydrophobicContact CB-CD1 3.5Å; D455-Y542 VanDerWaalsContact CB-CD1 3.5Å; D455-Y542 HydrophobicContact CB-CD2 4.23Å; D455-Y542 HydrophobicContact CB-CE1 3.74Å; D455-Y542 HydrophobicContact CB-CE2 4.41Å; D455-Y542 HydrophobicContact CB-CG 3.8Å; D455-Y542 WeakPolarHBondContact OD2-CD1 3.12Å; D455-Y542 WeakPolarHBondContact OD2-CE1 3.43Å
456	A	66.6	Low	61.2	Low	25 Å²	25	83 Å²	83	21%	0.207	47%	0.466	C	S	.	.	H	α-helix	trans	-64.9	-43.9	-179.9	0	0	0	0	0	113.3	M452 L453 I596	M452-A456 VanDerWaalsContact O-CB 3.25Å; M452-A456 WeakPolarHBondContact O-CB 3.46Å; M452-A456 PolarHBondContact O-N 3.29Å; L453-A456 PolarHBondContact O-N 3.26Å; A456-I596 HydrophobicContact CB-CD1 3.97Å; A456-I596 HydrophobicContact CB-CG1 4.41Å; A456-I596 HydrophobicContact CB-CG2 3.76Å
457	Y	65	Low	58.9	Low	103 Å²	103	87.1 Å²	87.1	40%	0.404	48%	0.484	S	S	.	.	H	α-helix	trans	-78.3	-24.6	177.2	-71.2	-61.9	0	0	0	113.1	L453 N459 Q460 L461 I596	L453-Y457 HydrophobicContact CB-CD2 4.46Å; L453-Y457 HydrophobicContact CD2-CE2 4.15Å; L453-Y457 WeakPolarHBondContact O-CB 3.42Å; L453-Y457 WeakPolarHBondContact O-CD2 2.99Å; L453-Y457 PolarHBondContact O-N 3.21Å; Y457-N459 VanDerWaalsContact C-N 3.25Å; Y457-N459 PolarHBondContact O-N 3.06Å; Y457-Q460 PolarHBondContact O-N 2.59Å; Y457-L461 PolarHBondContact O-N 2.82Å; Y457-I596 HydrophobicContact CE2-CD1 4.22Å
458	G	59	Low	57	Low	31 Å²	31	89.6 Å²	89.6	32%	0.32	48%	0.482	S	S	.	.	H	α-helix	trans	-60.1	-34.9	173.7	0	0	0	0	0	113	C454 D455 Q460 T462	C454-G458 WeakPolarHBondContact O-CA 3.34Å; C454-G458 PolarHBondContact O-N 2.83Å; D455-G458 PolarHBondContact O-N 3.35Å; G458-Q460 VanDerWaalsContact C-N 3.28Å; G458-Q460 PolarHBondContact O-N 2.55Å; G458-T462 PolarHBondContact O-OG1 3.21Å; G458-T462 VanDerWaalsContact O-OG1 3.11Å
459	N	54	Low	55.2	Low	94 Å²	94	91.7 Å²	91.7	50%	0.503	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.4	171.5	-89	-8.5	0	0	0	114	D455 Y457	D455-N459 PolarHBondContact O-N 3.06Å; Y457-N459 VanDerWaalsContact C-N 3.25Å; Y457-N459 PolarHBondContact O-N 3.06Å
460	Q	50	Low	53.8	Low	134 Å²	134	95.2 Å²	95.2	63%	0.626	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-33.1	179.7	-61.8	-174.5	-2.3	0	0	112.3	Y457 G458 T462	Y457-Q460 PolarHBondContact O-N 2.59Å; G458-Q460 VanDerWaalsContact C-N 3.28Å; G458-Q460 PolarHBondContact O-N 2.55Å; Q460-T462 VanDerWaalsContact C-N 3.27Å; Q460-T462 PolarHBondContact O-N 3.14Å
461	L	41.8	Very low	52.4	Low	144 Å²	144	96.5 Å²	96.5	75%	0.754	54%	0.537	S	S	*	.	S	Bend	trans	-80.7	4.4	-178.4	-73.8	167.4	0	0	0	114.8	Y457 P463	Y457-L461 PolarHBondContact O-N 2.82Å; L461-P463 WeakPolarHBondContact O-CD 3.43Å
462	T	34	Very low	51.4	Low	94 Å²	94	97.4 Å²	97.4	58%	0.577	54%	0.539	S	S	*	.			trans	-121.1	62.5	176.1	52.1	0	0	0	0	114.1	G458 Q460 G464	G458-T462 PolarHBondContact O-OG1 3.21Å; G458-T462 VanDerWaalsContact O-OG1 3.11Å; Q460-T462 VanDerWaalsContact C-N 3.27Å; Q460-T462 PolarHBondContact O-N 3.14Å; T462-G464 PolarHBondContact O-N 3.19Å
463	P	32.1	Very low	50.5	Low	130 Å²	130	100.3 Å²	100.3	84%	0.844	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	67.6	176.6	33	-37.6	0	0	0	112.3	L461	L461-P463 WeakPolarHBondContact O-CD 3.43Å
464	G	35.4	Very low	49.7	Very low	63 Å²	63	105 Å²	105	65%	0.649	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.7	-11.7	-170.6	0	0	0	0	0	118.9	T462 K466	T462-G464 PolarHBondContact O-N 3.19Å; G464-K466 PolarHBondContact O-N 3.41Å
465	R	34.4	Very low	49	Very low	204 Å²	204	103.7 Å²	103.7	77%	0.77	56%	0.56	S	S	*	*			trans	-76.9	54	-175.3	-105.6	-171.3	179	-161.3	1.5	115	N467	R465-N467 PolarHBondContact O-N 3.35Å
466	K	35.7	Very low	48.3	Very low	198 Å²	198	104.8 Å²	104.8	86%	0.861	56%	0.563	S	S	*	*			trans	-73.1	68.1	164.6	-72.9	-173.2	177.2	179.1	0	111.4	G464	G464-K466 PolarHBondContact O-N 3.41Å
467	N	33.6	Very low	48.4	Very low	147 Å²	147	104.8 Å²	104.8	79%	0.786	56%	0.558	S	S	*	*			trans	173.3	113.5	151.1	-92.5	-21.4	0	0	0	109.1	R465 S469	R465-N467 PolarHBondContact O-N 3.35Å; N467-S469 PolarHBondContact O-N 3.45Å
468	R	43.4	Very low	48.3	Very low	126 Å²	126	105.4 Å²	105.4	48%	0.475	57%	0.567	S	S	.	*			trans	-66.9	116.3	154.8	-79.7	-175.5	173.4	176.7	0.4	106.6	T470 N511	R468-T470 PolarHBondContact O-N 3.45Å; R468-N511 PolarHBondContact NH1-OD1 2.98Å
469	S	42.1	Very low	48.5	Very low	96 Å²	96	107.5 Å²	107.5	67%	0.671	59%	0.588	S	S	*	*			trans	-73.4	90.8	175.4	-175.2	0	0	0	0	109.5	N467 A471	N467-S469 PolarHBondContact O-N 3.45Å; S469-A471 PolarHBondContact O-N 2.64Å
470	T	48.1	Very low	49.5	Very low	108 Å²	108	110.6 Å²	110.6	66%	0.663	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-0.8	-177.3	48.6	0	0	0	0	114.3	R468	R468-T470 PolarHBondContact O-N 3.45Å
471	A	49	Very low	51.1	Low	77 Å²	77	106.7 Å²	106.7	64%	0.636	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-31.6	-169.2	0	0	0	0	0	115.4	S469 W473	S469-A471 PolarHBondContact O-N 2.64Å; A471-W473 PolarHBondContact O-N 3.05Å
472	N	56.7	Low	52.9	Low	97 Å²	97	100.7 Å²	100.7	52%	0.519	55%	0.551	S	S	.	*	S	Bend	trans	-100.1	25.4	-161.1	-154.4	24.9	0	0	0	115.3	S475	N472-S475 PolarHBondContact O-OG 3.33Å; N472-S475 PolarHBondContact OD1-OG 3.36Å
473	W	57.9	Low	55	Low	72 Å²	72	102 Å²	102	27%	0.273	56%	0.564	S	S	.	*	S	Bend	trans	-89.8	-36.8	-180	77.4	-103.8	0	0	0	113.4	A471 S475 K476 W505 H506	A471-W473 PolarHBondContact O-N 3.05Å; W473-S475 PolarHBondContact O-N 3.42Å; W473-K476 PolarHBondContact O-N 2.98Å; W473-W505 HydrophobicContact CB-CE3 3.78Å; W473-W505 HydrophobicContact CB-CH2 3.92Å; W473-W505 HydrophobicContact CB-CZ3 3.18Å; W473-W505 HydrophobicContact CG-CZ3 4.29Å; W473-H506 AromaticContact CE2-CD2 3.46Å; W473-H506 VanDerWaalsContact CE2-CD2 3.46Å; W473-H506 HydrophobicContact CE3-CB 4.3Å; W473-H506 HydrophobicContact CH2-CB 4.4Å; W473-H506 AromaticContact CH2-CD2 3.44Å; W473-H506 VanDerWaalsContact CH2-CD2 3.44Å; W473-H506 WeakPolarHBondContact CH2-CD2 3.48Å; W473-H506 AromaticContact CH2-CG 3.9Å; W473-H506 AromaticContact CH2-NE2 3.82Å; W473-H506 AromaticContact CZ2-CD2 3.16Å; W473-H506 WeakPolarHBondContact CZ2-CD2 3.34Å; W473-H506 AromaticContact CZ2-NE2 3.43Å; W473-H506 WeakPolarHBondContact CZ2-NE2 3.44Å; W473-H506 HydrophobicContact CZ3-CB 4.14Å; W473-H506 AromaticContact CZ3-CD2 3.97Å
474	K	56.6	Low	57.3	Low	144 Å²	144	98 Å²	98	63%	0.626	53%	0.532	S	S	*	.	S	Bend	trans	-63.3	-31.5	-175.8	-64.8	-173.5	176.6	-175.7	0	112.5	I478 R502	K474-I478 WeakPolarHBondContact O-CD1 3.36Å; K474-R502 PolarHBondContact O-NH2 2.83Å
475	S	59.6	Low	59.6	Low	61 Å²	61	95.2 Å²	95.2	43%	0.427	50%	0.503	S	S	.	.	S	Bend	trans	-76.8	-33.1	178.7	41.2	0	0	0	0	114	N472 W473	N472-S475 PolarHBondContact O-OG 3.33Å; N472-S475 PolarHBondContact OD1-OG 3.36Å; W473-S475 PolarHBondContact O-N 3.42Å
476	K	59.4	Low	61.7	Low	53 Å²	53	85.6 Å²	85.6	23%	0.23	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	140.8	-176.2	-78.3	-178.6	173.8	-171.1	0	111.7	W473 I478 R502 W505 E538 E539	W473-K476 PolarHBondContact O-N 2.98Å; K476-I478 VanDerWaalsContact C-N 3.28Å; K476-I478 PolarHBondContact O-N 3.15Å; K476-R502 PolarHBondContact O-NE 2.95Å; K476-R502 PolarHBondContact O-NH2 3.27Å; K476-W505 HydrophobicContact CD-CZ2 4.2Å; K476-E538 VanDerWaalsContact CD-OE2 3.3Å; K476-E538 WeakPolarHBondContact CD-OE2 3.44Å; K476-E538 WeakPolarHBondContact CE-OE2 3.28Å; K476-E538 IonicContact NZ-OE2 3.89Å; K476-E538 PolarHBondContact NZ-OE2 3.29Å; K476-E539 IonicContact NZ-OE1 2.77Å
477	W	67.9	Low	63.3	Low	25 Å²	25	79.2 Å²	79.2	10%	0.095	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	31.3	177.7	-58.9	40.2	0	0	0	114.4	G479 P482 L485 L493 I498 A501 R502 A530 E538	W477-G479 PolarHBondContact O-N 2.84Å; W477-P482 HydrophobicContact CD2-CG 3.93Å; W477-P482 VanDerWaalsContact CE2-CD 3.49Å; W477-P482 HydrophobicContact CG-CG 4.45Å; W477-P482 HydrophobicContact CH2-CG 4.14Å; W477-P482 HydrophobicContact CZ2-CG 3.42Å; W477-P482 VanDerWaalsContact CZ2-CG 3.42Å; W477-P482 VanDerWaalsContact NE1-CG 3.33Å; W477-L485 HydrophobicContact CH2-CD1 3.83Å; W477-L485 HydrophobicContact CZ3-CD1 4.2Å; W477-L493 HydrophobicContact CZ3-CD1 4.18Å; W477-I498 HydrophobicContact CB-CG2 4.39Å; W477-I498 HydrophobicContact CE3-CG2 4.3Å; W477-A501 HydrophobicContact CH2-CB 4.42Å; W477-A501 HydrophobicContact CZ3-CB 3.93Å; W477-R502 HydrophobicContact CB-CG 3.78Å; W477-R502 HydrophobicContact CG-CG 4.43Å; W477-R502 VanDerWaalsContact O-CD 3.23Å; W477-R502 WeakPolarHBondContact O-CD 3.27Å; W477-R502 PolarHBondContact O-NE 3.42Å; W477-A530 HydrophobicContact CH2-CB 4.11Å; W477-E538 PolarHBondContact NE1-OE1 3.43Å
478	I	63.2	Low	65	Low	116 Å²	116	77.2 Å²	77.2	60%	0.595	44%	0.438	S	S	*	.	S	Bend	trans	-76.1	116.4	164.3	-58.9	175.5	0	0	0	107.9	K474 K476 E480 R502	K474-I478 WeakPolarHBondContact O-CD1 3.36Å; K476-I478 VanDerWaalsContact C-N 3.28Å; K476-I478 PolarHBondContact O-N 3.15Å; I478-E480 PolarHBondContact O-N 2.97Å; I478-R502 VanDerWaalsContact CG1-NH2 3.32Å
479	G	64.7	Low	66.2	Low	75 Å²	75	75.6 Å²	75.6	77%	0.773	44%	0.436	S	S	*	.	S	Bend	trans	80.4	-33.5	170.7	0	0	0	0	0	116.2	W477	W477-G479 PolarHBondContact O-N 2.84Å
480	E	74.7	Confident	67.8	Low	159 Å²	159	81.4 Å²	81.4	74%	0.743	44%	0.443	S	S	*	.			trans	-124.1	150.8	-174.6	-64.4	-177.2	176.2	0	0	113.2	I478	I478-E480 PolarHBondContact O-N 2.97Å
481	Q	82.4	Confident	69.4	Low	52 Å²	52	81.5 Å²	81.5	24%	0.243	43%	0.431	C	S	.	.			trans	-89.9	149.2	171.8	73	177.2	25.3	0	0	111.1	R491 I498	Q481-R491 PolarHBondContact NE2-O 3.45Å; Q481-I498 HydrophobicContact CB-CD1 4.35Å
482	P	79.7	Confident	71.1	Confident	18 Å²	18	83.2 Å²	83.2	12%	0.117	43%	0.433	C	S	.	.			trans	-58.5	140.3	173.1	-26.7	33.3	0	0	0	114.2	W477 Y484 L485	W477-P482 HydrophobicContact CD2-CG 3.93Å; W477-P482 VanDerWaalsContact CE2-CD 3.49Å; W477-P482 HydrophobicContact CG-CG 4.45Å; W477-P482 HydrophobicContact CH2-CG 4.14Å; W477-P482 HydrophobicContact CZ2-CG 3.42Å; W477-P482 VanDerWaalsContact CZ2-CG 3.42Å; W477-P482 VanDerWaalsContact NE1-CG 3.33Å; P482-Y484 HydrophobicContact CB-CD1 3.78Å; P482-Y484 HydrophobicContact CB-CD2 3.83Å; P482-Y484 HydrophobicContact CB-CE1 3.51Å; P482-Y484 HydrophobicContact CB-CE2 3.57Å; P482-Y484 HydrophobicContact CB-CG 3.95Å; P482-Y484 VanDerWaalsContact CB-CZ 3.4Å; P482-Y484 HydrophobicContact CG-CE1 4.11Å; P482-Y484 HydrophobicContact CG-CE2 3.98Å; P482-Y484 PolarHBondContact O-N 3.48Å; P482-Y484 VanDerWaalsContact O-N 3.16Å; P482-L485 HydrophobicContact CG-CD1 4.34Å; P482-L485 PolarHBondContact O-N 2.9Å
483	S	78.4	Confident	72.5	Confident	122 Å²	122	78.9 Å²	78.9	85%	0.853	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.9	176.4	57.1	0	0	0	0	114.5
484	Y	81.3	Confident	73.9	Confident	45 Å²	45	79.4 Å²	79.4	18%	0.176	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.5	177.9	58.2	-121.6	0	0	0	113.6	P482 P487 Y533 S534 K537 E538	P482-Y484 HydrophobicContact CB-CD1 3.78Å; P482-Y484 HydrophobicContact CB-CD2 3.83Å; P482-Y484 HydrophobicContact CB-CE1 3.51Å; P482-Y484 HydrophobicContact CB-CE2 3.57Å; P482-Y484 HydrophobicContact CB-CG 3.95Å; P482-Y484 VanDerWaalsContact CB-CZ 3.4Å; P482-Y484 HydrophobicContact CG-CE1 4.11Å; P482-Y484 HydrophobicContact CG-CE2 3.98Å; P482-Y484 PolarHBondContact O-N 3.48Å; P482-Y484 VanDerWaalsContact O-N 3.16Å; Y484-P487 WeakPolarHBondContact O-CD 3.44Å; Y484-Y533 AromaticContact CD2-CD1 3.47Å; Y484-Y533 HydrophobicContact CD2-CD1 3.47Å; Y484-Y533 VanDerWaalsContact CD2-CD1 3.47Å; Y484-Y533 AromaticContact CD2-CE1 3.41Å; Y484-Y533 HydrophobicContact CD2-CE1 3.41Å; Y484-Y533 VanDerWaalsContact CD2-CE1 3.41Å; Y484-Y533 AromaticContact CE2-CD1 3.73Å; Y484-Y533 HydrophobicContact CE2-CD1 3.73Å; Y484-Y533 HydrophobicContact CE2-CE1 4.14Å; Y484-Y533 HydrophobicContact CG-CD1 4.48Å; Y484-Y533 HydrophobicContact CG-CE1 4.06Å; Y484-Y533 WeakPolarHBondContact O-CE1 3.28Å; Y484-S534 WeakPolarHBondContact OH-CA 3.37Å; Y484-S534 WeakPolarHBondContact OH-CB 3.18Å; Y484-K537 HydrophobicContact CD1-CB 4.26Å; Y484-K537 HydrophobicContact CD1-CG 4.4Å; Y484-K537 HydrophobicContact CE1-CB 4.03Å; Y484-K537 HydrophobicContact CG-CG 4.41Å; Y484-E538 HydrophobicContact CE1-CG 4.07Å; Y484-E538 PolarHBondContact OH-OE1 3.27Å
485	L	82.1	Confident	75.4	Confident	5 Å²	5	77.6 Å²	77.6	3%	0.026	42%	0.419	C	S	.	.	S	Bend	trans	-79.1	129.3	-178.8	-70.7	170.4	0	0	0	111.1	W477 P482 L493 A530 Y533	W477-L485 HydrophobicContact CH2-CD1 3.83Å; W477-L485 HydrophobicContact CZ3-CD1 4.2Å; P482-L485 HydrophobicContact CG-CD1 4.34Å; P482-L485 PolarHBondContact O-N 2.9Å; L485-L493 HydrophobicContact CD1-CD1 3.92Å; L485-A530 HydrophobicContact CD1-CB 4.43Å; L485-A530 HydrophobicContact CD2-CB 4.24Å; L485-Y533 HydrophobicContact CD2-CD1 3.89Å
486	S	78.7	Confident	76.8	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.007	40%	0.402	C	S	.	.	S	Bend	trans	48.6	52	178.4	-155.2	0	0	0	0	114.4	V488 H489 R490 I563 W564	S486-V488 PolarHBondContact O-N 2.88Å; S486-H489 PolarHBondContact O-N 2.83Å; S486-R490 WeakPolarHBondContact O-CA 3.1Å; S486-R490 PolarHBondContact O-N 3.49Å; S486-I563 WeakPolarHBondContact CA-O 3.41Å; S486-I563 WeakPolarHBondContact CB-O 3.32Å; S486-I563 PolarHBondContact OG-O 3.22Å; S486-W564 PolarHBondContact N-O 2.59Å
487	P	70.9	Confident	78.3	Confident	64 Å²	64	73.6 Å²	73.6	42%	0.416	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-28	-170.6	28.2	-34.5	0	0	0	112.7	Y484 P566	Y484-P487 WeakPolarHBondContact O-CD 3.44Å; P487-P566 HydrophobicContact CG-CG 4.05Å
488	V	68.1	Low	79.3	Confident	105 Å²	105	73.4 Å²	73.4	64%	0.636	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-51	176.6	-179.2	0	0	0	0	111.5	S486 P566	S486-V488 PolarHBondContact O-N 2.88Å; V488-P566 HydrophobicContact CG2-CG 4.43Å
489	H	69.1	Low	80.5	Confident	92 Å²	92	73.1 Å²	73.1	43%	0.426	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.3	-171.2	-53.1	101.5	0	0	0	114	S486 R491 I563	S486-H489 PolarHBondContact O-N 2.83Å; H489-R491 HydrophobicContact CB-CG 4.03Å; H489-R491 PolarHBondContact O-N 2.97Å; H489-R491 VanDerWaalsContact O-N 3.16Å; H489-I563 PolarHBondContact ND1-O 2.75Å
490	R	75.6	Confident	81.7	Confident	218 Å²	218	69.6 Å²	69.6	82%	0.823	35%	0.353	S	S	*	.			trans	49.9	37.1	179.8	-58.9	-175.8	179	-178.3	-0.6	113.9	S486	S486-R490 WeakPolarHBondContact O-CA 3.1Å; S486-R490 PolarHBondContact O-N 3.49Å
491	R	80.4	Confident	82.5	Confident	111 Å²	111	62.1 Å²	62.1	42%	0.419	32%	0.319	S	S	.	.			trans	-74	149.8	177.8	-64.8	-171.2	179.8	-166.6	-0.6	111	Q481 H489 W564	Q481-R491 PolarHBondContact NE2-O 3.45Å; H489-R491 HydrophobicContact CB-CG 4.03Å; H489-R491 PolarHBondContact O-N 2.97Å; H489-R491 VanDerWaalsContact O-N 3.16Å; R491-W564 HydrophobicContact CB-CH2 3.52Å; R491-W564 HydrophobicContact CB-CZ2 4.03Å; R491-W564 HydrophobicContact CB-CZ3 3.8Å
492	V	85.1	Confident	82.8	Confident	112 Å²	112	62.9 Å²	62.9	68%	0.679	32%	0.32	S	S	*	.			trans	-113	133.5	-179.1	-177.6	0	0	0	0	109.2
493	L	86.8	Confident	83.3	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.031	32%	0.324	C	S	.	.			trans	-74.6	139.8	171.5	-66	177.4	0	0	0	110.4	W477 L485 Q497 I498 V526 A530 W564	W477-L493 HydrophobicContact CZ3-CD1 4.18Å; L485-L493 HydrophobicContact CD1-CD1 3.92Å; L493-Q497 HydrophobicContact CB-CB 4.28Å; L493-Q497 HydrophobicContact CD2-CB 4.42Å; L493-I498 HydrophobicContact CB-CD1 4.3Å; L493-I498 HydrophobicContact CB-CG1 3.82Å; L493-I498 HydrophobicContact CD1-CG1 4.19Å; L493-V526 HydrophobicContact CD2-CG1 3.42Å; L493-V526 VanDerWaalsContact CD2-CG1 3.42Å; L493-A530 HydrophobicContact CD1-CB 4.31Å; L493-W564 HydrophobicContact CD2-CE3 4.18Å; L493-W564 HydrophobicContact CD2-CH2 3.64Å; L493-W564 HydrophobicContact CD2-CZ2 4.29Å; L493-W564 HydrophobicContact CD2-CZ3 3.59Å; L493-W564 HydrophobicContact CG-CH2 4.31Å; L493-W564 HydrophobicContact CG-CZ3 3.98Å
494	H	86.8	Confident	83.9	Confident	83 Å²	83	58.7 Å²	58.7	38%	0.384	28%	0.283	S	S	.	.			trans	-66.2	152.8	170.7	-66.8	-92.5	0	0	0	110.7	Y496 Q497 I498	H494-Y496 VanDerWaalsContact C-N 3.27Å; H494-Y496 HydrophobicContact CB-CD1 3.49Å; H494-Y496 VanDerWaalsContact CB-CD1 3.49Å; H494-Y496 HydrophobicContact CB-CE1 3.25Å; H494-Y496 AromaticContact CG-CE1 3.75Å; H494-Y496 PolarHBondContact O-N 3.44Å; H494-Y496 VanDerWaalsContact O-N 3.13Å; H494-Q497 HydrophobicContact CB-CG 4.17Å; H494-Q497 WeakPolarHBondContact O-CA 3.07Å; H494-Q497 WeakPolarHBondContact O-CB 3.07Å; H494-Q497 PolarHBondContact O-N 3.44Å; H494-I498 PolarHBondContact O-N 3.42Å
495	P	87.4	Confident	84.3	Confident	107 Å²	107	57.4 Å²	57.4	70%	0.695	28%	0.278	S	S	*	.	H	α-helix	trans	-54.8	-37.5	-175.6	-28.9	36.1	0	0	0	114.6	Q497 I498 E499	P495-Q497 VanDerWaalsContact C-N 3.34Å; P495-Q497 PolarHBondContact O-N 3.07Å; P495-I498 WeakPolarHBondContact O-CB 3.27Å; P495-I498 PolarHBondContact O-N 3.35Å; P495-E499 PolarHBondContact O-N 3.1Å
496	Y	89.4	Confident	84.5	Confident	18 Å²	18	60 Å²	60	7%	0.071	29%	0.289	C	S	.	.	H	α-helix	trans	-70.8	-26.5	176.1	76.2	-89.9	0	0	0	113.3	H494 E499 G500 L522 R711 V716 I717	H494-Y496 VanDerWaalsContact C-N 3.27Å; H494-Y496 HydrophobicContact CB-CD1 3.49Å; H494-Y496 VanDerWaalsContact CB-CD1 3.49Å; H494-Y496 HydrophobicContact CB-CE1 3.25Å; H494-Y496 AromaticContact CG-CE1 3.75Å; H494-Y496 PolarHBondContact O-N 3.44Å; H494-Y496 VanDerWaalsContact O-N 3.13Å; Y496-E499 PolarHBondContact O-N 3.4Å; Y496-G500 PolarHBondContact O-N 3.16Å; Y496-L522 HydrophobicContact CE2-CB 3.94Å; Y496-L522 HydrophobicContact CE2-CD2 4.25Å; Y496-L522 WeakPolarHBondContact CE2-O 3.33Å; Y496-L522 PolarHBondContact OH-O 3.37Å; Y496-R711 PolarHBondContact O-NH1 3.38Å; Y496-R711 PolarHBondContact O-NH2 3.15Å; Y496-V716 HydrophobicContact CD1-CG1 3.06Å; Y496-V716 HydrophobicContact CD2-CG1 3.61Å; Y496-V716 HydrophobicContact CE1-CG1 3.35Å; Y496-V716 HydrophobicContact CE2-CG1 3.89Å; Y496-V716 HydrophobicContact CG-CG1 3.18Å; Y496-I717 HydrophobicContact CE1-CG1 4.4Å
497	Q	90.8	Very high	85	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-73.2	-37.5	175.4	-62.9	174.4	-26.5	0	0	110.2	L493 H494 P495 G500 A501 L522 Q527	L493-Q497 HydrophobicContact CB-CB 4.28Å; L493-Q497 HydrophobicContact CD2-CB 4.42Å; H494-Q497 HydrophobicContact CB-CG 4.17Å; H494-Q497 WeakPolarHBondContact O-CA 3.07Å; H494-Q497 WeakPolarHBondContact O-CB 3.07Å; H494-Q497 PolarHBondContact O-N 3.44Å; P495-Q497 VanDerWaalsContact C-N 3.34Å; P495-Q497 PolarHBondContact O-N 3.07Å; Q497-G500 PolarHBondContact O-N 2.7Å; Q497-A501 WeakPolarHBondContact O-CB 3.29Å; Q497-A501 PolarHBondContact O-N 2.92Å; Q497-L522 PolarHBondContact NE2-O 3.12Å; Q497-Q527 HydrophobicContact CB-CG 4Å; Q497-Q527 HydrophobicContact CG-CG 4.21Å
498	I	89.3	Confident	85.9	Confident	20 Å²	20	58.1 Å²	58.1	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-48.9	169.2	-67.1	171.6	0	0	0	109.9	W477 Q481 L493 H494 P495 G500 A501 R502	W477-I498 HydrophobicContact CB-CG2 4.39Å; W477-I498 HydrophobicContact CE3-CG2 4.3Å; Q481-I498 HydrophobicContact CB-CD1 4.35Å; L493-I498 HydrophobicContact CB-CD1 4.3Å; L493-I498 HydrophobicContact CB-CG1 3.82Å; L493-I498 HydrophobicContact CD1-CG1 4.19Å; H494-I498 PolarHBondContact O-N 3.42Å; P495-I498 WeakPolarHBondContact O-CB 3.27Å; P495-I498 PolarHBondContact O-N 3.35Å; I498-G500 PolarHBondContact O-N 3.05Å; I498-A501 PolarHBondContact O-N 2.91Å; I498-R502 VanDerWaalsContact O-CG 3.22Å; I498-R502 WeakPolarHBondContact O-CG 3.45Å; I498-R502 PolarHBondContact O-N 3.41Å
499	E	88.9	Confident	86.7	Confident	111 Å²	111	54.1 Å²	54.1	52%	0.519	25%	0.25	S	C	.	.	H	α-helix	trans	-56.9	-47.4	175	-179	-168.7	-128.1	0	0	112.6	P495 Y496 R502 W503 R711	P495-E499 PolarHBondContact O-N 3.1Å; Y496-E499 PolarHBondContact O-N 3.4Å; E499-R502 WeakPolarHBondContact O-CB 3.43Å; E499-R502 PolarHBondContact O-N 3.2Å; E499-W503 PolarHBondContact O-N 3.44Å; E499-R711 IonicContact OE2-CZ 2.72Å; E499-R711 IonicContact OE2-NH1 3.69Å; E499-R711 PolarHBondContact OE2-NH1 2.9Å
500	G	90.3	Very high	87.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-38.8	-178.6	0	0	0	0	0	113	Y496 Q497 I498 W503 L504	Y496-G500 PolarHBondContact O-N 3.16Å; Q497-G500 PolarHBondContact O-N 2.7Å; I498-G500 PolarHBondContact O-N 3.05Å; G500-W503 PolarHBondContact O-N 3.2Å; G500-L504 WeakPolarHBondContact O-CG 3.33Å; G500-L504 PolarHBondContact O-N 3.34Å
501	A	90.2	Very high	87.9	Confident	3 Å²	3	47.5 Å²	47.5	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-43	170.8	0	0	0	0	0	111.5	W477 Q497 I498 L504 W505	W477-A501 HydrophobicContact CH2-CB 4.42Å; W477-A501 HydrophobicContact CZ3-CB 3.93Å; Q497-A501 WeakPolarHBondContact O-CB 3.29Å; Q497-A501 PolarHBondContact O-N 2.92Å; I498-A501 PolarHBondContact O-N 2.91Å; A501-L504 PolarHBondContact O-N 3.12Å; A501-W505 WeakPolarHBondContact O-CB 3.38Å; A501-W505 PolarHBondContact O-N 3.01Å
502	R	88.9	Confident	88.3	Confident	67 Å²	67	44.8 Å²	44.8	25%	0.253	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-35.9	175.7	-67.9	173	87.6	-149	-1.7	113	K474 K476 W477 I478 I498 E499 W505 H506	K474-R502 PolarHBondContact O-NH2 2.83Å; K476-R502 PolarHBondContact O-NE 2.95Å; K476-R502 PolarHBondContact O-NH2 3.27Å; W477-R502 HydrophobicContact CB-CG 3.78Å; W477-R502 HydrophobicContact CG-CG 4.43Å; W477-R502 VanDerWaalsContact O-CD 3.23Å; W477-R502 WeakPolarHBondContact O-CD 3.27Å; W477-R502 PolarHBondContact O-NE 3.42Å; I478-R502 VanDerWaalsContact CG1-NH2 3.32Å; I498-R502 VanDerWaalsContact O-CG 3.22Å; I498-R502 WeakPolarHBondContact O-CG 3.45Å; I498-R502 PolarHBondContact O-N 3.41Å; E499-R502 WeakPolarHBondContact O-CB 3.43Å; E499-R502 PolarHBondContact O-N 3.2Å; R502-W505 PolarHBondContact O-N 3.13Å; R502-H506 WeakPolarHBondContact O-CB 3.45Å; R502-H506 PolarHBondContact O-N 3.26Å
503	W	90.6	Very high	88.6	Confident	52 Å²	52	40.8 Å²	40.8	20%	0.197	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-44.6	174	178.5	87.9	0	0	0	111.6	E499 G500 W505 H506 A507 A514 L709	E499-W503 PolarHBondContact O-N 3.44Å; G500-W503 PolarHBondContact O-N 3.2Å; W503-W505 VanDerWaalsContact C-N 3.33Å; W503-W505 PolarHBondContact O-N 3.18Å; W503-H506 PolarHBondContact O-N 2.93Å; W503-A507 WeakPolarHBondContact O-CB 3.41Å; W503-A507 PolarHBondContact O-N 3.38Å; W503-A514 HydrophobicContact CH2-CB 3.88Å; W503-A514 HydrophobicContact CZ3-CB 3.91Å; W503-L709 HydrophobicContact CB-CD2 4.13Å; W503-L709 HydrophobicContact CD2-CB 3.89Å; W503-L709 HydrophobicContact CD2-CD2 3.8Å; W503-L709 HydrophobicContact CD2-CG 4.4Å; W503-L709 HydrophobicContact CE3-CB 3.79Å; W503-L709 HydrophobicContact CE3-CD2 3.76Å; W503-L709 HydrophobicContact CE3-CG 4.43Å; W503-L709 HydrophobicContact CG-CD2 3.96Å; W503-L709 HydrophobicContact CH2-CB 3.67Å; W503-L709 HydrophobicContact CZ2-CB 3.77Å; W503-L709 HydrophobicContact CZ3-CB 3.67Å; W503-L709 HydrophobicContact CZ3-CD2 4.43Å
504	L	91.7	Very high	88.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-38	173	-70.3	172.3	0	0	0	112.4	G500 A501 A507 Y508 A514 L516 V528 L531 I652	G500-L504 WeakPolarHBondContact O-CG 3.33Å; G500-L504 PolarHBondContact O-N 3.34Å; A501-L504 PolarHBondContact O-N 3.12Å; L504-A507 WeakPolarHBondContact O-CB 3.35Å; L504-A507 PolarHBondContact O-N 2.94Å; L504-Y508 PolarHBondContact O-N 3.03Å; L504-A514 HydrophobicContact CD2-CB 3.98Å; L504-L516 HydrophobicContact CD1-CD2 4.44Å; L504-V528 HydrophobicContact CD1-CG2 4.22Å; L504-L531 HydrophobicContact CB-CD1 3.99Å; L504-L531 HydrophobicContact CB-CD2 3.86Å; L504-L531 HydrophobicContact CB-CG 4.38Å; L504-L531 HydrophobicContact CD1-CD2 4.34Å; L504-I652 HydrophobicContact CD2-CG2 4.03Å
505	W	88.3	Confident	89.2	Confident	19 Å²	19	36.7 Å²	36.7	7%	0.072	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-46	176.4	-160.9	107.5	0	0	0	110.7	W473 K476 A501 R502 W503 A507 Y508 H509 L531 E539	W473-W505 HydrophobicContact CB-CE3 3.78Å; W473-W505 HydrophobicContact CB-CH2 3.92Å; W473-W505 HydrophobicContact CB-CZ3 3.18Å; W473-W505 HydrophobicContact CG-CZ3 4.29Å; K476-W505 HydrophobicContact CD-CZ2 4.2Å; A501-W505 WeakPolarHBondContact O-CB 3.38Å; A501-W505 PolarHBondContact O-N 3.01Å; R502-W505 PolarHBondContact O-N 3.13Å; W503-W505 VanDerWaalsContact C-N 3.33Å; W503-W505 PolarHBondContact O-N 3.18Å; W505-A507 VanDerWaalsContact C-N 3.33Å; W505-A507 PolarHBondContact O-N 3.12Å; W505-Y508 PolarHBondContact O-N 3.47Å; W505-H509 AromaticContact CD2-CD2 3.76Å; W505-H509 AromaticContact CD2-NE2 4Å; W505-H509 AromaticContact CE2-NE2 3.76Å; W505-H509 HydrophobicContact CE3-CB 4.47Å; W505-H509 AromaticContact CE3-CD2 3.31Å; W505-H509 AromaticContact CE3-CG 3.83Å; W505-H509 AromaticContact CE3-NE2 3.83Å; W505-H509 AromaticContact CH2-CD2 3.55Å; W505-H509 AromaticContact CH2-CE1 3.31Å; W505-H509 WeakPolarHBondContact CH2-CE1 3.36Å; W505-H509 AromaticContact CH2-CG 3.87Å; W505-H509 AromaticContact CH2-ND1 3.72Å; W505-H509 AromaticContact CH2-NE2 3.21Å; W505-H509 WeakPolarHBondContact CH2-NE2 3.29Å; W505-H509 AromaticContact CZ2-CD2 3.98Å; W505-H509 AromaticContact CZ2-CE1 3.86Å; W505-H509 AromaticContact CZ2-NE2 3.42Å; W505-H509 WeakPolarHBondContact CZ2-NE2 3.47Å; W505-H509 HydrophobicContact CZ3-CB 4.16Å; W505-H509 AromaticContact CZ3-CD2 3.14Å; W505-H509 WeakPolarHBondContact CZ3-CD2 3.39Å; W505-H509 AromaticContact CZ3-CE1 3.64Å; W505-H509 AromaticContact CZ3-CG 3.33Å; W505-H509 AromaticContact CZ3-ND1 3.62Å; W505-H509 AromaticContact CZ3-NE2 3.39Å; W505-H509 WeakPolarHBondContact CZ3-NE2 3.37Å; W505-H509 PolarHBondContact O-CD2 2.76Å; W505-H509 PolarHBondContact O-N 2.71Å; W505-H509 VanDerWaalsContact O-N 3.08Å; W505-L531 HydrophobicContact CB-CD1 3.9Å; W505-L531 HydrophobicContact CG-CD1 4.38Å; W505-E539 HydrophobicContact CZ2-CG 4.12Å; W505-E539 WeakPolarHBondContact CZ2-OE1 3.36Å
506	H	87.5	Confident	89.4	Confident	58 Å²	58	31.6 Å²	31.6	27%	0.269	15%	0.15	S	C	.	.	H	α-helix	trans	-59	-42	172.3	173.4	-116.4	0	0	0	112.3	W473 R502 W503 H509 N510	W473-H506 AromaticContact CE2-CD2 3.46Å; W473-H506 VanDerWaalsContact CE2-CD2 3.46Å; W473-H506 HydrophobicContact CE3-CB 4.3Å; W473-H506 HydrophobicContact CH2-CB 4.4Å; W473-H506 AromaticContact CH2-CD2 3.44Å; W473-H506 VanDerWaalsContact CH2-CD2 3.44Å; W473-H506 WeakPolarHBondContact CH2-CD2 3.48Å; W473-H506 AromaticContact CH2-CG 3.9Å; W473-H506 AromaticContact CH2-NE2 3.82Å; W473-H506 AromaticContact CZ2-CD2 3.16Å; W473-H506 WeakPolarHBondContact CZ2-CD2 3.34Å; W473-H506 AromaticContact CZ2-NE2 3.43Å; W473-H506 WeakPolarHBondContact CZ2-NE2 3.44Å; W473-H506 HydrophobicContact CZ3-CB 4.14Å; W473-H506 AromaticContact CZ3-CD2 3.97Å; R502-H506 WeakPolarHBondContact O-CB 3.45Å; R502-H506 PolarHBondContact O-N 3.26Å; W503-H506 PolarHBondContact O-N 2.93Å; H506-H509 PolarHBondContact O-N 3.06Å; H506-N510 PolarHBondContact CD2-ND2 3.08Å; H506-N510 VanDerWaalsContact CD2-ND2 3.27Å; H506-N510 PolarHBondContact CE1-ND2 3.26Å; H506-N510 VanDerWaalsContact CE1-ND2 3.28Å; H506-N510 PolarHBondContact NE2-ND2 2.79Å; H506-N510 PolarHBondContact O-N 3.32Å; H506-N510 PolarHBondContact O-ND2 2.94Å; H506-N510 VanDerWaalsContact O-ND2 3.08Å
507	A	89.7	Confident	89.4	Confident	6 Å²	6	30.7 Å²	30.7	5%	0.05	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-44.9	175.9	0	0	0	0	0	112.1	W503 L504 W505 H509 N510 N511 I512 A514 F650	W503-A507 WeakPolarHBondContact O-CB 3.41Å; W503-A507 PolarHBondContact O-N 3.38Å; L504-A507 WeakPolarHBondContact O-CB 3.35Å; L504-A507 PolarHBondContact O-N 2.94Å; W505-A507 VanDerWaalsContact C-N 3.33Å; W505-A507 PolarHBondContact O-N 3.12Å; A507-H509 PolarHBondContact O-N 3.28Å; A507-N510 PolarHBondContact O-N 3.03Å; A507-N511 PolarHBondContact O-N 2.93Å; A507-N511 VanDerWaalsContact O-N 3.09Å; A507-I512 WeakPolarHBondContact CB-O 3.26Å; A507-I512 PolarHBondContact O-N 2.89Å; A507-A514 HydrophobicContact CB-CB 4.2Å; A507-F650 HydrophobicContact CB-CE2 4.3Å; A507-F650 HydrophobicContact CB-CZ 4.06Å
508	Y	88.5	Confident	89.3	Confident	20 Å²	20	30.1 Å²	30.1	8%	0.078	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-47.1	175.4	179.8	-92.5	0	0	0	112.2	L504 W505 N510 N511 L535 D541 V623 F650	L504-Y508 PolarHBondContact O-N 3.03Å; W505-Y508 PolarHBondContact O-N 3.47Å; Y508-N510 VanDerWaalsContact C-N 3.3Å; Y508-N510 PolarHBondContact O-N 3.31Å; Y508-N511 PolarHBondContact O-N 3.49Å; Y508-L535 HydrophobicContact CD1-CD2 3.61Å; Y508-L535 HydrophobicContact CD2-CD1 3.95Å; Y508-L535 HydrophobicContact CD2-CD2 4.46Å; Y508-L535 HydrophobicContact CE1-CD1 4.49Å; Y508-L535 HydrophobicContact CE1-CD2 3.61Å; Y508-L535 HydrophobicContact CE2-CD1 3.86Å; Y508-L535 HydrophobicContact CE2-CD2 4.44Å; Y508-L535 HydrophobicContact CG-CD1 4.3Å; Y508-L535 HydrophobicContact CG-CD2 4.06Å; Y508-D541 PolarHBondContact OH-OD2 3.02Å; Y508-V623 HydrophobicContact CE2-CG2 4.16Å; Y508-F650 VanDerWaalsContact CA-CE2 3.49Å; Y508-F650 HydrophobicContact CD2-CB 3.96Å; Y508-F650 AromaticContact CD2-CD1 3.68Å; Y508-F650 HydrophobicContact CD2-CD1 3.68Å; Y508-F650 HydrophobicContact CD2-CD2 4.27Å; Y508-F650 HydrophobicContact CD2-CE1 4.14Å; Y508-F650 AromaticContact CD2-CG 3.74Å; Y508-F650 HydrophobicContact CD2-CG 3.74Å; Y508-F650 HydrophobicContact CE2-CB 4.25Å
509	H	84.9	Confident	89	Confident	21 Å²	21	30.9 Å²	30.9	10%	0.097	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-30.4	-177.8	-83.8	-101.6	0	0	0	113.8	W505 H506 A507 N511 E539	W505-H509 AromaticContact CD2-CD2 3.76Å; W505-H509 AromaticContact CD2-NE2 4Å; W505-H509 AromaticContact CE2-NE2 3.76Å; W505-H509 HydrophobicContact CE3-CB 4.47Å; W505-H509 AromaticContact CE3-CD2 3.31Å; W505-H509 AromaticContact CE3-CG 3.83Å; W505-H509 AromaticContact CE3-NE2 3.83Å; W505-H509 AromaticContact CH2-CD2 3.55Å; W505-H509 AromaticContact CH2-CE1 3.31Å; W505-H509 WeakPolarHBondContact CH2-CE1 3.36Å; W505-H509 AromaticContact CH2-CG 3.87Å; W505-H509 AromaticContact CH2-ND1 3.72Å; W505-H509 AromaticContact CH2-NE2 3.21Å; W505-H509 WeakPolarHBondContact CH2-NE2 3.29Å; W505-H509 AromaticContact CZ2-CD2 3.98Å; W505-H509 AromaticContact CZ2-CE1 3.86Å; W505-H509 AromaticContact CZ2-NE2 3.42Å; W505-H509 WeakPolarHBondContact CZ2-NE2 3.47Å; W505-H509 HydrophobicContact CZ3-CB 4.16Å; W505-H509 AromaticContact CZ3-CD2 3.14Å; W505-H509 WeakPolarHBondContact CZ3-CD2 3.39Å; W505-H509 AromaticContact CZ3-CE1 3.64Å; W505-H509 AromaticContact CZ3-CG 3.33Å; W505-H509 AromaticContact CZ3-ND1 3.62Å; W505-H509 AromaticContact CZ3-NE2 3.39Å; W505-H509 WeakPolarHBondContact CZ3-NE2 3.37Å; W505-H509 PolarHBondContact O-CD2 2.76Å; W505-H509 PolarHBondContact O-N 2.71Å; W505-H509 VanDerWaalsContact O-N 3.08Å; H506-H509 PolarHBondContact O-N 3.06Å; A507-H509 PolarHBondContact O-N 3.28Å; H509-N511 VanDerWaalsContact C-N 3.34Å; H509-E539 VanDerWaalsContact CE1-CD 3.47Å; H509-E539 IonicContact CE1-OE1 2.74Å; H509-E539 IonicContact CE1-OE2 3.76Å; H509-E539 PolarHBondContact CE1-OE2 2.85Å; H509-E539 IonicContact NE2-OE2 3.12Å
510	N	85.5	Confident	88.7	Confident	72 Å²	72	26.5 Å²	26.5	39%	0.385	13%	0.127	S	C	.	.	H	α-helix	trans	-83.6	-6.9	172.8	-64.6	-37.6	0	0	0	113.5	H506 A507 Y508 I512	H506-N510 PolarHBondContact CD2-ND2 3.08Å; H506-N510 VanDerWaalsContact CD2-ND2 3.27Å; H506-N510 PolarHBondContact CE1-ND2 3.26Å; H506-N510 VanDerWaalsContact CE1-ND2 3.28Å; H506-N510 PolarHBondContact NE2-ND2 2.79Å; H506-N510 PolarHBondContact O-N 3.32Å; H506-N510 PolarHBondContact O-ND2 2.94Å; H506-N510 VanDerWaalsContact O-ND2 3.08Å; A507-N510 PolarHBondContact O-N 3.03Å; Y508-N510 VanDerWaalsContact C-N 3.3Å; Y508-N510 PolarHBondContact O-N 3.31Å; N510-I512 VanDerWaalsContact C-N 3.29Å; N510-I512 HydrophobicContact CB-CD1 3.66Å; N510-I512 HydrophobicContact CB-CG1 3.75Å; N510-I512 PolarHBondContact O-N 3.4Å
511	N	85.7	Confident	88.2	Confident	99 Å²	99	27 Å²	27	53%	0.529	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	35	-169.2	-36.5	-77.8	0	0	0	113.7	R468 A507 Y508 H509	R468-N511 PolarHBondContact NH1-OD1 2.98Å; A507-N511 PolarHBondContact O-N 2.93Å; A507-N511 VanDerWaalsContact O-N 3.09Å; Y508-N511 PolarHBondContact O-N 3.49Å; H509-N511 VanDerWaalsContact C-N 3.34Å
512	I	88.1	Confident	88	Confident	54 Å²	54	26.9 Å²	26.9	28%	0.277	13%	0.131	S	C	.	.			trans	-96.4	104.9	178.2	-61.6	172.2	0	0	0	108.5	A507 N510 F650 R706	A507-I512 WeakPolarHBondContact CB-O 3.26Å; A507-I512 PolarHBondContact O-N 2.89Å; N510-I512 VanDerWaalsContact C-N 3.29Å; N510-I512 HydrophobicContact CB-CD1 3.66Å; N510-I512 HydrophobicContact CB-CG1 3.75Å; N510-I512 PolarHBondContact O-N 3.4Å; I512-F650 VanDerWaalsContact O-CE2 3.29Å; I512-F650 WeakPolarHBondContact O-CE2 3.24Å; I512-R706 WeakPolarHBondContact CG2-O 3.47Å
513	N	92	Very high	87.9	Confident	29 Å²	29	24.2 Å²	24.2	16%	0.155	12%	0.124	C	C	.	.			trans	-59.1	140.3	177.4	-69.7	-26.8	0	0	0	111.5	F650 K651 V673 H707	N513-F650 WeakPolarHBondContact OD1-CA 3.44Å; N513-K651 HydrophobicContact CB-CB 4.12Å; N513-K651 PolarHBondContact OD1-N 3.15Å; N513-V673 HydrophobicContact CB-CB 4.49Å; N513-V673 HydrophobicContact CB-CG1 3.64Å; N513-V673 PolarHBondContact ND2-O 3.42Å; N513-V673 WeakPolarHBondContact O-CG1 3.48Å; N513-H707 PolarHBondContact O-ND1 3.38Å
514	A	92.4	Very high	87.9	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.8	-159.1	0	0	0	0	0	114.1	W503 L504 A507 F650 K651 I652 L653 H707	W503-A514 HydrophobicContact CH2-CB 3.88Å; W503-A514 HydrophobicContact CZ3-CB 3.91Å; L504-A514 HydrophobicContact CD2-CB 3.98Å; A507-A514 HydrophobicContact CB-CB 4.2Å; A514-F650 HydrophobicContact CB-CZ 4.43Å; A514-K651 PolarHBondContact N-O 2.81Å; A514-I652 CarbonylContact O-C 3.19Å; A514-I652 WeakPolarHBondContact O-CA 3.13Å; A514-L653 PolarHBondContact O-N 3.44Å; A514-H707 CarbonylContact C-O 3.51Å
515	I	92.4	Very high	87.9	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	109.7	176.8	-49.6	-179.9	0	0	0	108.3	A517 L653 T655 L670 V673 H707 L708 L709	I515-A517 HydrophobicContact CG2-CB 4.49Å; I515-A517 PolarHBondContact O-N 3Å; I515-L653 CarbonylContact C-O 3.29Å; I515-L653 WeakPolarHBondContact CA-O 3.37Å; I515-L653 HydrophobicContact CG1-CB 4.27Å; I515-L653 HydrophobicContact CG1-CD1 4.39Å; I515-L653 HydrophobicContact CG2-CB 4.27Å; I515-T655 HydrophobicContact CG2-CG2 4.31Å; I515-L670 HydrophobicContact CD1-CD2 4.28Å; I515-V673 HydrophobicContact CD1-CG2 4.07Å; I515-V673 HydrophobicContact CG1-CG2 3.91Å; I515-H707 PolarHBondContact N-O 2.92Å; I515-L708 HydrophobicContact CB-CB 4.4Å; I515-L708 HydrophobicContact CG2-CD1 4.36Å; I515-L708 WeakPolarHBondContact O-CA 3.42Å; I515-L709 PolarHBondContact O-N 3.18Å
516	L	92.8	Very high	88.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	99.6	172.4	-172.4	62.6	0	0	0	109	L504 D518 K524 Q527 L653 L654 T655 L709	L504-L516 HydrophobicContact CD1-CD2 4.44Å; L516-D518 HydrophobicContact CD1-CB 4.49Å; L516-K524 HydrophobicContact CB-CD 4.38Å; L516-K524 HydrophobicContact CD2-CB 3.83Å; L516-K524 HydrophobicContact CD2-CD 4.16Å; L516-K524 HydrophobicContact CD2-CG 3.71Å; L516-K524 HydrophobicContact CG-CD 3.91Å; L516-K524 HydrophobicContact CG-CG 3.91Å; L516-K524 WeakPolarHBondContact O-CD 3.4Å; L516-Q527 HydrophobicContact CD2-CB 4.27Å; L516-L653 PolarHBondContact N-O 3.07Å; L516-L654 HydrophobicContact CB-CD2 3.85Å; L516-L654 HydrophobicContact CD2-CD2 4.31Å; L516-T655 PolarHBondContact O-N 2.98Å; L516-T655 VanDerWaalsContact O-N 3.15Å; L516-L709 HydrophobicContact CD1-CB 4.21Å; L516-L709 HydrophobicContact CD1-CD2 3.89Å; L516-L709 HydrophobicContact CD1-CG 4.2Å
517	A	89.3	Confident	88.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.			trans	-101.6	11.2	-174	0	0	0	0	0	114	I515 T655 P658 L708 L709 R710	I515-A517 HydrophobicContact CG2-CB 4.49Å; I515-A517 PolarHBondContact O-N 3Å; A517-T655 CarbonylContact C-O 3.47Å; A517-T655 WeakPolarHBondContact CA-O 3.38Å; A517-T655 HydrophobicContact CB-CG2 4.28Å; A517-P658 HydrophobicContact CB-CB 4.31Å; A517-P658 HydrophobicContact CB-CG 4.14Å; A517-L708 HydrophobicContact CB-CD1 4.1Å; A517-L708 HydrophobicContact CB-CD2 4.21Å; A517-L708 HydrophobicContact CB-CG 3.95Å; A517-L709 CarbonylContact C-O 3.57Å; A517-L709 WeakPolarHBondContact CA-O 3.43Å; A517-L709 WeakPolarHBondContact CB-O 3.29Å; A517-L709 PolarHBondContact N-O 3.19Å; A517-R710 HydrophobicContact CB-CB 4.44Å; A517-R710 WeakPolarHBondContact O-CD 3.28Å; A517-R710 PolarHBondContact O-NH1 2.91Å
518	D	88.7	Confident	88.6	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.			trans	-39.8	146.4	170.7	-83.7	-5.5	0	0	0	112.9	L516 L522 K524 Q527 L709 R711	L516-D518 HydrophobicContact CD1-CB 4.49Å; D518-L522 HydrophobicContact CB-CB 4.33Å; D518-L522 HydrophobicContact CB-CD1 4.15Å; D518-K524 HydrophobicContact CB-CD 4.06Å; D518-K524 HydrophobicContact CB-CG 3.83Å; D518-K524 PolarHBondContact O-NZ 3.3Å; D518-Q527 PolarHBondContact OD2-NE2 2.99Å; D518-L709 PolarHBondContact N-O 3.43Å; D518-R711 IonicContact OD1-CZ 3.84Å; D518-R711 IonicContact OD1-NE 2.8Å; D518-R711 PolarHBondContact OD1-NE 3.1Å; D518-R711 IonicContact OD1-NH2 3.64Å; D518-R711 PolarHBondContact OD1-NH2 3.26Å; D518-R711 IonicContact OD2-CZ 2.75Å; D518-R711 IonicContact OD2-NE 2.7Å; D518-R711 IonicContact OD2-NH2 3.7Å; D518-R711 PolarHBondContact OD2-NH2 3.1Å
519	E	82.7	Confident	88.9	Confident	36 Å²	36	19.3 Å²	19.3	17%	0.168	11%	0.106	C	C	.	.			trans	-55.9	155.1	177.4	-147.3	-157.9	125.2	0	0	113.7	G521 L522 R711 K713	E519-G521 PolarHBondContact O-N 2.87Å; E519-L522 HydrophobicContact CB-CD1 3.98Å; E519-L522 HydrophobicContact CB-CG 4.3Å; E519-L522 PolarHBondContact O-N 3.17Å; E519-R711 PolarHBondContact N-O 3.39Å; E519-K713 HydrophobicContact CB-CG 4.49Å; E519-K713 VanDerWaalsContact OE1-CD 3.24Å; E519-K713 WeakPolarHBondContact OE1-CD 3.43Å; E519-K713 WeakPolarHBondContact OE1-CE 3.21Å; E519-K713 IonicContact OE1-NZ 2.7Å; E519-K713 PolarHBondContact OE1-NZ 2.87Å; E519-K713 WeakPolarHBondContact OE2-CB 3.4Å; E519-K713 WeakPolarHBondContact OE2-CD 3.43Å; E519-K713 VanDerWaalsContact OE2-CG 3.23Å; E519-K713 WeakPolarHBondContact OE2-CG 3.35Å; E519-K713 PolarHBondContact OE2-N 3.29Å
520	M	83.1	Confident	89.2	Confident	18 Å²	18	18.4 Å²	18.4	9%	0.089	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	114.5	179.7	-56.8	-172.7	79.3	0	0	110.6	K713 Q908 R912	M520-K713 WeakPolarHBondContact O-CE 3.29Å; M520-K713 PolarHBondContact O-NZ 2.91Å; M520-Q908 HydrophobicContact CE-CB 4.12Å; M520-Q908 HydrophobicContact CE-CG 3.72Å; M520-Q908 HydrophobicContact SD-CB 3.98Å; M520-Q908 HydrophobicContact SD-CG 4.27Å; M520-R912 VanDerWaalsContact CE-NH2 3.34Å
521	G	79.1	Confident	89.5	Confident	10 Å²	10	15 Å²	15	10%	0.103	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.8	-23	-178.8	0	0	0	0	0	114.6	E519 G523	E519-G521 PolarHBondContact O-N 2.87Å; G521-G523 PolarHBondContact O-N 2.96Å
522	L	85.7	Confident	89.8	Confident	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.059	C	C	.	.	S	Bend	trans	-67.9	-0.5	-173.8	-69.5	-177.8	0	0	0	115.6	Y496 Q497 D518 E519 K713 V716 I717	Y496-L522 HydrophobicContact CE2-CB 3.94Å; Y496-L522 HydrophobicContact CE2-CD2 4.25Å; Y496-L522 WeakPolarHBondContact CE2-O 3.33Å; Y496-L522 PolarHBondContact OH-O 3.37Å; Q497-L522 PolarHBondContact NE2-O 3.12Å; D518-L522 HydrophobicContact CB-CB 4.33Å; D518-L522 HydrophobicContact CB-CD1 4.15Å; E519-L522 HydrophobicContact CB-CD1 3.98Å; E519-L522 HydrophobicContact CB-CG 4.3Å; E519-L522 PolarHBondContact O-N 3.17Å; L522-K713 HydrophobicContact CD2-CG 3.95Å; L522-K713 HydrophobicContact CG-CG 4.36Å; L522-V716 HydrophobicContact CD2-CB 4.47Å; L522-V716 HydrophobicContact CD2-CG1 4.15Å; L522-I717 HydrophobicContact CD2-CD1 3.73Å; L522-I717 HydrophobicContact CD2-CG1 4.18Å
523	G	86.8	Confident	89.9	Confident	12 Å²	12	7.8 Å²	7.8	12%	0.124	5%	0.046	C	C	.	.			trans	87.7	31	173.4	0	0	0	0	0	115.4	G521 T525 V526 Q527	G521-G523 PolarHBondContact O-N 2.96Å; G523-T525 PolarHBondContact O-N 3.4Å; G523-V526 WeakPolarHBondContact O-CB 3.25Å; G523-V526 PolarHBondContact O-N 3.48Å; G523-Q527 PolarHBondContact O-N 3.1Å; G523-Q527 VanDerWaalsContact O-N 3.17Å
524	K	91.5	Very high	89.7	Confident	19 Å²	19	6.5 Å²	6.5	8%	0.083	4%	0.039	C	C	.	.	H	α-helix	trans	-44.2	-45.7	174	-68.6	-164.9	-75.3	-93.2	0	113.5	L516 D518 V526 Q527 V528 L654 T655	L516-K524 HydrophobicContact CB-CD 4.38Å; L516-K524 HydrophobicContact CD2-CB 3.83Å; L516-K524 HydrophobicContact CD2-CD 4.16Å; L516-K524 HydrophobicContact CD2-CG 3.71Å; L516-K524 HydrophobicContact CG-CD 3.91Å; L516-K524 HydrophobicContact CG-CG 3.91Å; L516-K524 WeakPolarHBondContact O-CD 3.4Å; D518-K524 HydrophobicContact CB-CD 4.06Å; D518-K524 HydrophobicContact CB-CG 3.83Å; D518-K524 PolarHBondContact O-NZ 3.3Å; K524-V526 VanDerWaalsContact C-N 3.33Å; K524-V526 PolarHBondContact O-N 3.17Å; K524-Q527 PolarHBondContact O-N 3.13Å; K524-V528 WeakPolarHBondContact O-CG2 3.31Å; K524-V528 PolarHBondContact O-N 3.36Å; K524-V528 VanDerWaalsContact O-N 3.1Å; K524-L654 HydrophobicContact CD-CB 4.38Å; K524-T655 VanDerWaalsContact CE-O 3.25Å; K524-T655 WeakPolarHBondContact CE-O 3.28Å; K524-T655 VanDerWaalsContact NZ-C 3.28Å; K524-T655 PolarHBondContact NZ-O 3.36Å
525	T	92.2	Very high	89.5	Confident	20 Å²	20	6.4 Å²	6.4	12%	0.123	4%	0.039	C	C	.	.	H	α-helix	trans	-49.6	-49.6	174.1	-52.4	0	0	0	0	112.5	G523 V528 I529 W557 E560	G523-T525 PolarHBondContact O-N 3.4Å; T525-V528 PolarHBondContact O-N 3.4Å; T525-I529 HydrophobicContact CG2-CD1 3.87Å; T525-I529 VanDerWaalsContact O-CG1 3.3Å; T525-I529 WeakPolarHBondContact O-CG1 3.13Å; T525-I529 PolarHBondContact O-N 3.05Å; T525-W557 HydrophobicContact CG2-CD2 3.66Å; T525-W557 HydrophobicContact CG2-CE3 3.71Å; T525-W557 HydrophobicContact CG2-CG 4.26Å; T525-W557 HydrophobicContact CG2-CH2 4.04Å; T525-W557 HydrophobicContact CG2-CZ2 3.97Å; T525-W557 HydrophobicContact CG2-CZ3 3.9Å; T525-E560 HydrophobicContact CG2-CB 4.18Å; T525-E560 HydrophobicContact CG2-CG 4.17Å
526	V	92.2	Very high	89.2	Confident	12 Å²	12	8 Å²	8	7%	0.073	4%	0.044	C	C	.	.	H	α-helix	trans	-68.9	-39.8	-178.1	-176.8	0	0	0	0	111.3	L493 G523 K524 V528 I529 A530 W564	L493-V526 HydrophobicContact CD2-CG1 3.42Å; L493-V526 VanDerWaalsContact CD2-CG1 3.42Å; G523-V526 WeakPolarHBondContact O-CB 3.25Å; G523-V526 PolarHBondContact O-N 3.48Å; K524-V526 VanDerWaalsContact C-N 3.33Å; K524-V526 PolarHBondContact O-N 3.17Å; V526-V528 VanDerWaalsContact C-N 3.27Å; V526-V528 PolarHBondContact O-N 2.92Å; V526-I529 PolarHBondContact O-N 3.17Å; V526-A530 VanDerWaalsContact O-CB 3.28Å; V526-A530 WeakPolarHBondContact O-CB 3.48Å; V526-A530 PolarHBondContact O-N 2.64Å; V526-W564 HydrophobicContact CG1-CD2 3.76Å; V526-W564 VanDerWaalsContact CG1-CE2 3.44Å; V526-W564 HydrophobicContact CG1-CE3 4.28Å; V526-W564 HydrophobicContact CG1-CG 4.15Å; V526-W564 HydrophobicContact CG1-CH2 4.26Å; V526-W564 HydrophobicContact CG1-CZ2 3.74Å; V526-W564 HydrophobicContact CG2-CZ2 4.49Å
527	Q	93.3	Very high	88.7	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.1	-38.5	175.7	-61.6	177.6	46.8	0	0	111.6	Q497 L516 D518 G523 K524 L531 R711	Q497-Q527 HydrophobicContact CB-CG 4Å; Q497-Q527 HydrophobicContact CG-CG 4.21Å; L516-Q527 HydrophobicContact CD2-CB 4.27Å; D518-Q527 PolarHBondContact OD2-NE2 2.99Å; G523-Q527 PolarHBondContact O-N 3.1Å; G523-Q527 VanDerWaalsContact O-N 3.17Å; K524-Q527 PolarHBondContact O-N 3.13Å; Q527-L531 PolarHBondContact O-N 2.96Å; Q527-L531 VanDerWaalsContact O-N 3.1Å; Q527-R711 VanDerWaalsContact OE1-NH2 3.16Å
528	V	94.4	Very high	88.3	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-74.1	-40.9	176.4	175.5	0	0	0	0	112.5	L504 K524 T525 V526 A530 L531 L532 W557 V625 L654	L504-V528 HydrophobicContact CD1-CG2 4.22Å; K524-V528 WeakPolarHBondContact O-CG2 3.31Å; K524-V528 PolarHBondContact O-N 3.36Å; K524-V528 VanDerWaalsContact O-N 3.1Å; T525-V528 PolarHBondContact O-N 3.4Å; V526-V528 VanDerWaalsContact C-N 3.27Å; V526-V528 PolarHBondContact O-N 2.92Å; V528-A530 VanDerWaalsContact C-N 3.31Å; V528-A530 PolarHBondContact O-N 3.32Å; V528-L531 WeakPolarHBondContact O-CB 3.48Å; V528-L531 PolarHBondContact O-N 3.44Å; V528-L532 HydrophobicContact CG1-CD1 3.96Å; V528-L532 HydrophobicContact CG1-CG 4.3Å; V528-L532 WeakPolarHBondContact O-CG 3.21Å; V528-L532 PolarHBondContact O-N 3.17Å; V528-W557 HydrophobicContact CB-CH2 4.2Å; V528-W557 HydrophobicContact CB-CZ3 4.49Å; V528-W557 HydrophobicContact CG1-CH2 4.2Å; V528-W557 HydrophobicContact CG1-CZ3 4.32Å; V528-V625 HydrophobicContact CG1-CG1 4.1Å; V528-V625 HydrophobicContact CG1-CG2 3.83Å; V528-L654 HydrophobicContact CG2-CD1 3.98Å; V528-L654 HydrophobicContact CG2-CD2 3.65Å; V528-L654 HydrophobicContact CG2-CG 4.44Å
529	I	93.7	Very high	87.6	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.5	-44	175.6	-67.2	165.1	0	0	0	110.1	T525 V526 L531 L532 Y533 W557 E560 F561 W564 A565	T525-I529 HydrophobicContact CG2-CD1 3.87Å; T525-I529 VanDerWaalsContact O-CG1 3.3Å; T525-I529 WeakPolarHBondContact O-CG1 3.13Å; T525-I529 PolarHBondContact O-N 3.05Å; V526-I529 PolarHBondContact O-N 3.17Å; I529-L531 VanDerWaalsContact C-N 3.35Å; I529-L531 PolarHBondContact O-N 2.75Å; I529-L532 PolarHBondContact O-N 3.28Å; I529-Y533 VanDerWaalsContact O-CB 3.31Å; I529-Y533 WeakPolarHBondContact O-CB 3.37Å; I529-Y533 PolarHBondContact O-N 3.48Å; I529-W557 HydrophobicContact CD1-CE3 4.34Å; I529-W557 HydrophobicContact CD1-CZ3 4.49Å; I529-W557 HydrophobicContact CG1-CE3 4.35Å; I529-W557 HydrophobicContact CG1-CZ3 4.13Å; I529-E560 HydrophobicContact CD1-CB 3.56Å; I529-F561 HydrophobicContact CB-CD1 4.49Å; I529-F561 HydrophobicContact CB-CE1 4.26Å; I529-F561 HydrophobicContact CD1-CD1 4.4Å; I529-F561 HydrophobicContact CD1-CD2 4.21Å; I529-F561 HydrophobicContact CD1-CE2 4.4Å; I529-F561 HydrophobicContact CD1-CG 4.19Å; I529-F561 HydrophobicContact CG1-CD1 4.01Å; I529-F561 HydrophobicContact CG1-CD2 4.27Å; I529-F561 HydrophobicContact CG1-CE1 3.77Å; I529-F561 HydrophobicContact CG1-CE2 4.04Å; I529-F561 HydrophobicContact CG1-CG 4.24Å; I529-F561 HydrophobicContact CG1-CZ 3.77Å; I529-F561 HydrophobicContact CG2-CD1 3.79Å; I529-F561 HydrophobicContact CG2-CE1 3.89Å; I529-W564 HydrophobicContact CG2-CB 3.92Å; I529-A565 HydrophobicContact CG2-CB 3.95Å
530	A	91.8	Very high	87.2	Confident	2 Å²	2	18.8 Å²	18.8	2%	0.017	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-40.5	176.4	0	0	0	0	0	112.3	W477 L485 L493 V526 V528 S534	W477-A530 HydrophobicContact CH2-CB 4.11Å; L485-A530 HydrophobicContact CD1-CB 4.43Å; L485-A530 HydrophobicContact CD2-CB 4.24Å; L493-A530 HydrophobicContact CD1-CB 4.31Å; V526-A530 VanDerWaalsContact O-CB 3.28Å; V526-A530 WeakPolarHBondContact O-CB 3.48Å; V526-A530 PolarHBondContact O-N 2.64Å; V528-A530 VanDerWaalsContact C-N 3.31Å; V528-A530 PolarHBondContact O-N 3.32Å; A530-S534 WeakPolarHBondContact O-CB 3.35Å; A530-S534 PolarHBondContact O-N 3.35Å; A530-S534 VanDerWaalsContact O-N 3.08Å
531	L	91.5	Very high	87	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-59.6	171.6	178.1	77	0	0	0	111.5	L504 W505 Q527 V528 I529 Y533 S534 L535 F650 I652	L504-L531 HydrophobicContact CB-CD1 3.99Å; L504-L531 HydrophobicContact CB-CD2 3.86Å; L504-L531 HydrophobicContact CB-CG 4.38Å; L504-L531 HydrophobicContact CD1-CD2 4.34Å; W505-L531 HydrophobicContact CB-CD1 3.9Å; W505-L531 HydrophobicContact CG-CD1 4.38Å; Q527-L531 PolarHBondContact O-N 2.96Å; Q527-L531 VanDerWaalsContact O-N 3.1Å; V528-L531 WeakPolarHBondContact O-CB 3.48Å; V528-L531 PolarHBondContact O-N 3.44Å; I529-L531 VanDerWaalsContact C-N 3.35Å; I529-L531 PolarHBondContact O-N 2.75Å; L531-Y533 PolarHBondContact O-N 3.36Å; L531-S534 WeakPolarHBondContact O-CA 3.21Å; L531-S534 WeakPolarHBondContact O-CB 3.41Å; L531-S534 PolarHBondContact O-N 3.12Å; L531-S534 PolarHBondContact O-OG 3.08Å; L531-L535 HydrophobicContact CG-CD1 4.26Å; L531-L535 HydrophobicContact CG-CG 4.49Å; L531-L535 PolarHBondContact O-N 3.09Å; L531-F650 HydrophobicContact CD2-CE1 4.4Å; L531-I652 HydrophobicContact CD2-CD1 3.55Å
532	L	92.5	Very high	87	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.2	-40.9	-174.6	-69	171.2	0	0	0	111.5	V528 I529 L535 W536 F545 I547 F561 F568 V623	V528-L532 HydrophobicContact CG1-CD1 3.96Å; V528-L532 HydrophobicContact CG1-CG 4.3Å; V528-L532 WeakPolarHBondContact O-CG 3.21Å; V528-L532 PolarHBondContact O-N 3.17Å; I529-L532 PolarHBondContact O-N 3.28Å; L532-L535 PolarHBondContact O-N 2.98Å; L532-W536 PolarHBondContact O-N 2.93Å; L532-F545 HydrophobicContact CD2-CB 4.33Å; L532-F545 HydrophobicContact CD2-CD1 3.9Å; L532-F545 HydrophobicContact CD2-CD2 4.33Å; L532-F545 HydrophobicContact CD2-CE1 4.23Å; L532-F545 HydrophobicContact CD2-CG 3.94Å; L532-I547 HydrophobicContact CD1-CD1 3.89Å; L532-F561 HydrophobicContact CD1-CZ 4.29Å; L532-F568 HydrophobicContact CB-CE2 4.17Å; L532-F568 HydrophobicContact CB-CZ 4.47Å; L532-V623 HydrophobicContact CD2-CB 3.98Å; L532-V623 HydrophobicContact CD2-CG1 4.06Å; L532-V623 HydrophobicContact CD2-CG2 4.08Å
533	Y	90.7	Very high	86.6	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-68.2	-34.4	177.4	-164.3	-119.3	0	0	0	112.7	Y484 L485 I529 L531 W536 K537 A565 D567 F568	Y484-Y533 AromaticContact CD2-CD1 3.47Å; Y484-Y533 HydrophobicContact CD2-CD1 3.47Å; Y484-Y533 VanDerWaalsContact CD2-CD1 3.47Å; Y484-Y533 AromaticContact CD2-CE1 3.41Å; Y484-Y533 HydrophobicContact CD2-CE1 3.41Å; Y484-Y533 VanDerWaalsContact CD2-CE1 3.41Å; Y484-Y533 AromaticContact CE2-CD1 3.73Å; Y484-Y533 HydrophobicContact CE2-CD1 3.73Å; Y484-Y533 HydrophobicContact CE2-CE1 4.14Å; Y484-Y533 HydrophobicContact CG-CD1 4.48Å; Y484-Y533 HydrophobicContact CG-CE1 4.06Å; Y484-Y533 WeakPolarHBondContact O-CE1 3.28Å; L485-Y533 HydrophobicContact CD2-CD1 3.89Å; I529-Y533 VanDerWaalsContact O-CB 3.31Å; I529-Y533 WeakPolarHBondContact O-CB 3.37Å; I529-Y533 PolarHBondContact O-N 3.48Å; L531-Y533 PolarHBondContact O-N 3.36Å; Y533-W536 AromaticContact CD2-CE3 3.9Å; Y533-W536 HydrophobicContact CD2-CE3 3.9Å; Y533-W536 HydrophobicContact CD2-CZ3 4.36Å; Y533-W536 AromaticContact CE2-CE3 3.59Å; Y533-W536 HydrophobicContact CE2-CE3 3.59Å; Y533-W536 AromaticContact CE2-CZ3 3.61Å; Y533-W536 HydrophobicContact CE2-CZ3 3.61Å; Y533-W536 PolarHBondContact O-N 2.76Å; Y533-K537 HydrophobicContact CD1-CG 4.47Å; Y533-K537 HydrophobicContact CE1-CG 4.22Å; Y533-K537 HydrophobicContact CE2-CG 4.41Å; Y533-K537 WeakPolarHBondContact O-CB 2.87Å; Y533-K537 WeakPolarHBondContact O-CG 3.41Å; Y533-K537 PolarHBondContact O-N 3.04Å; Y533-K537 WeakPolarHBondContact OH-CE 3.44Å; Y533-A565 HydrophobicContact CD1-CB 4.3Å; Y533-A565 HydrophobicContact CD2-CB 3.59Å; Y533-A565 HydrophobicContact CE2-CB 3.99Å; Y533-A565 HydrophobicContact CG-CB 3.76Å; Y533-D567 HydrophobicContact CE2-CB 4.07Å; Y533-D567 VanDerWaalsContact OH-CG 3.23Å; Y533-D567 PolarHBondContact OH-OD2 2.86Å; Y533-F568 HydrophobicContact CD2-CD1 4.19Å; Y533-F568 AromaticContact CD2-CD2 3.88Å; Y533-F568 HydrophobicContact CD2-CD2 3.88Å; Y533-F568 HydrophobicContact CD2-CE1 4.12Å; Y533-F568 AromaticContact CD2-CE2 3.81Å; Y533-F568 HydrophobicContact CD2-CE2 3.81Å; Y533-F568 HydrophobicContact CD2-CG 4.09Å; Y533-F568 AromaticContact CD2-CZ 3.94Å; Y533-F568 HydrophobicContact CD2-CZ 3.94Å; Y533-F568 HydrophobicContact CG-CE2 4.38Å
534	S	87.6	Confident	86.6	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.007	11%	0.109	C	C	.	.	H	α-helix	trans	-67.2	-35.3	171.3	77.5	0	0	0	0	113.4	Y484 A530 L531 K537 E538	Y484-S534 WeakPolarHBondContact OH-CA 3.37Å; Y484-S534 WeakPolarHBondContact OH-CB 3.18Å; A530-S534 WeakPolarHBondContact O-CB 3.35Å; A530-S534 PolarHBondContact O-N 3.35Å; A530-S534 VanDerWaalsContact O-N 3.08Å; L531-S534 WeakPolarHBondContact O-CA 3.21Å; L531-S534 WeakPolarHBondContact O-CB 3.41Å; L531-S534 PolarHBondContact O-N 3.12Å; L531-S534 PolarHBondContact O-OG 3.08Å; S534-K537 PolarHBondContact O-N 3.43Å; S534-E538 VanDerWaalsContact O-CB 3.3Å; S534-E538 WeakPolarHBondContact O-CB 3.2Å; S534-E538 PolarHBondContact O-N 3.38Å
535	L	87.5	Confident	86.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66	-38.8	176.6	-66	177.4	0	0	0	111.5	Y508 L531 L532 E539 N540 D541 V623	Y508-L535 HydrophobicContact CD1-CD2 3.61Å; Y508-L535 HydrophobicContact CD2-CD1 3.95Å; Y508-L535 HydrophobicContact CD2-CD2 4.46Å; Y508-L535 HydrophobicContact CE1-CD1 4.49Å; Y508-L535 HydrophobicContact CE1-CD2 3.61Å; Y508-L535 HydrophobicContact CE2-CD1 3.86Å; Y508-L535 HydrophobicContact CE2-CD2 4.44Å; Y508-L535 HydrophobicContact CG-CD1 4.3Å; Y508-L535 HydrophobicContact CG-CD2 4.06Å; L531-L535 HydrophobicContact CG-CD1 4.26Å; L531-L535 HydrophobicContact CG-CG 4.49Å; L531-L535 PolarHBondContact O-N 3.09Å; L532-L535 PolarHBondContact O-N 2.98Å; L535-E539 CarbonylContact O-C 3.6Å; L535-E539 PolarHBondContact O-N 3.29Å; L535-N540 PolarHBondContact O-N 2.86Å; L535-N540 VanDerWaalsContact O-N 3.15Å; L535-D541 HydrophobicContact CB-CB 4.34Å; L535-D541 PolarHBondContact O-N 2.84Å; L535-V623 HydrophobicContact CD1-CG2 4.24Å
536	W	86.4	Confident	86.8	Confident	34 Å²	34	20 Å²	20	13%	0.129	10%	0.1	C	C	.	.	H	α-helix	trans	-67.7	-49.6	173.6	-178.2	55.2	0	0	0	112.5	D455 L532 Y533 Y542 D567 F568	D455-W536 PolarHBondContact OD2-NE1 3.19Å; L532-W536 PolarHBondContact O-N 2.93Å; Y533-W536 AromaticContact CD2-CE3 3.9Å; Y533-W536 HydrophobicContact CD2-CE3 3.9Å; Y533-W536 HydrophobicContact CD2-CZ3 4.36Å; Y533-W536 AromaticContact CE2-CE3 3.59Å; Y533-W536 HydrophobicContact CE2-CE3 3.59Å; Y533-W536 AromaticContact CE2-CZ3 3.61Å; Y533-W536 HydrophobicContact CE2-CZ3 3.61Å; Y533-W536 PolarHBondContact O-N 2.76Å; W536-Y542 AromaticContact CD1-CD1 3.44Å; W536-Y542 VanDerWaalsContact CD1-CD1 3.44Å; W536-Y542 AromaticContact CD1-CE1 3.94Å; W536-Y542 AromaticContact NE1-CD1 3.39Å; W536-Y542 AromaticContact NE1-CE1 3.77Å; W536-D567 HydrophobicContact CH2-CB 3.87Å; W536-D567 HydrophobicContact CZ3-CB 3.62Å; W536-F568 HydrophobicContact CB-CE1 3.61Å; W536-F568 HydrophobicContact CB-CZ 3.86Å; W536-F568 HydrophobicContact CD2-CD1 4.14Å; W536-F568 AromaticContact CD2-CE1 3.68Å; W536-F568 HydrophobicContact CD2-CE1 3.68Å; W536-F568 AromaticContact CE3-CD1 3.92Å; W536-F568 HydrophobicContact CE3-CD1 3.92Å; W536-F568 AromaticContact CE3-CE1 3.71Å; W536-F568 HydrophobicContact CE3-CE1 3.71Å; W536-F568 AromaticContact CG-CE1 3.65Å; W536-F568 HydrophobicContact CG-CE1 3.65Å; W536-F568 HydrophobicContact CG-CZ 4.4Å; W536-F568 HydrophobicContact CZ3-CD1 4.37Å
537	K	82.2	Confident	87	Confident	75 Å²	75	19.4 Å²	19.4	33%	0.326	10%	0.096	S	C	.	.	H	α-helix	trans	-77.7	-30.3	-174.3	-69.2	-61.6	-163.3	-168.4	0	115.3	Y484 Y533 S534 D567	Y484-K537 HydrophobicContact CD1-CB 4.26Å; Y484-K537 HydrophobicContact CD1-CG 4.4Å; Y484-K537 HydrophobicContact CE1-CB 4.03Å; Y484-K537 HydrophobicContact CG-CG 4.41Å; Y533-K537 HydrophobicContact CD1-CG 4.47Å; Y533-K537 HydrophobicContact CE1-CG 4.22Å; Y533-K537 HydrophobicContact CE2-CG 4.41Å; Y533-K537 WeakPolarHBondContact O-CB 2.87Å; Y533-K537 WeakPolarHBondContact O-CG 3.41Å; Y533-K537 PolarHBondContact O-N 3.04Å; Y533-K537 WeakPolarHBondContact OH-CE 3.44Å; S534-K537 PolarHBondContact O-N 3.43Å; K537-D567 WeakPolarHBondContact CE-OD2 3.45Å; K537-D567 IonicContact NZ-OD2 2.69Å; K537-D567 PolarHBondContact NZ-OD2 2.79Å
538	E	80.6	Confident	87	Confident	52 Å²	52	19.4 Å²	19.4	24%	0.243	10%	0.096	C	C	.	.	H	α-helix	trans	-112.8	-33.7	-171.5	-58.9	-168.5	-157.4	0	0	114.8	K476 W477 Y484 S534	K476-E538 VanDerWaalsContact CD-OE2 3.3Å; K476-E538 WeakPolarHBondContact CD-OE2 3.44Å; K476-E538 WeakPolarHBondContact CE-OE2 3.28Å; K476-E538 IonicContact NZ-OE2 3.89Å; K476-E538 PolarHBondContact NZ-OE2 3.29Å; W477-E538 PolarHBondContact NE1-OE1 3.43Å; Y484-E538 HydrophobicContact CE1-CG 4.07Å; Y484-E538 PolarHBondContact OH-OE1 3.27Å; S534-E538 VanDerWaalsContact O-CB 3.3Å; S534-E538 WeakPolarHBondContact O-CB 3.2Å; S534-E538 PolarHBondContact O-N 3.38Å
539	E	74.6	Confident	86.9	Confident	62 Å²	62	19.4 Å²	19.4	29%	0.29	10%	0.096	S	C	.	.	S	Bend	trans	-106.5	-4.5	-177.7	-66	-64.2	137.9	0	0	113.3	K476 W505 H509 L535 D541	K476-E539 IonicContact NZ-OE1 2.77Å; W505-E539 HydrophobicContact CZ2-CG 4.12Å; W505-E539 WeakPolarHBondContact CZ2-OE1 3.36Å; H509-E539 VanDerWaalsContact CE1-CD 3.47Å; H509-E539 IonicContact CE1-OE1 2.74Å; H509-E539 IonicContact CE1-OE2 3.76Å; H509-E539 PolarHBondContact CE1-OE2 2.85Å; H509-E539 IonicContact NE2-OE2 3.12Å; L535-E539 CarbonylContact O-C 3.6Å; L535-E539 PolarHBondContact O-N 3.29Å; E539-D541 VanDerWaalsContact C-N 3.31Å; E539-D541 PolarHBondContact O-N 3.12Å
540	N	74.5	Confident	86.5	Confident	73 Å²	73	20.2 Å²	20.2	39%	0.39	10%	0.102	S	C	.	.			trans	58.6	34.6	-177	-59.4	9.9	0	0	0	113.7	L535 Y542	L535-N540 PolarHBondContact O-N 2.86Å; L535-N540 VanDerWaalsContact O-N 3.15Å; N540-Y542 HydrophobicContact CB-CE2 3.91Å; N540-Y542 VanDerWaalsContact O-CD2 3.29Å; N540-Y542 WeakPolarHBondContact O-CD2 3.36Å; N540-Y542 WeakPolarHBondContact O-CE2 3.1Å; N540-Y542 PolarHBondContact O-N 3.42Å
541	D	78.9	Confident	86.1	Confident	17 Å²	17	25.4 Å²	25.4	9%	0.091	13%	0.128	C	C	.	.			trans	-82.7	99	166.8	-168.2	0.5	0	0	0	109	Y508 L535 E539 G543 F545 S622	Y508-D541 PolarHBondContact OH-OD2 3.02Å; L535-D541 HydrophobicContact CB-CB 4.34Å; L535-D541 PolarHBondContact O-N 2.84Å; E539-D541 VanDerWaalsContact C-N 3.31Å; E539-D541 PolarHBondContact O-N 3.12Å; D541-G543 PolarHBondContact O-N 3.33Å; D541-G543 PolarHBondContact OD1-N 2.93Å; D541-F545 HydrophobicContact CB-CZ 4.42Å; D541-F545 WeakPolarHBondContact O-CZ 3.46Å; D541-S622 VanDerWaalsContact CG-OG 3.28Å; D541-S622 PolarHBondContact OD1-OG 2.94Å; D541-S622 WeakPolarHBondContact OD2-CB 3.36Å; D541-S622 PolarHBondContact OD2-OG 2.99Å
542	Y	77.9	Confident	85.4	Confident	52 Å²	52	27.6 Å²	27.6	20%	0.204	14%	0.144	C	C	.	.			trans	-76.5	0.4	180	-56.6	-71.8	0	0	0	113.7	D455 W536 N540	D455-Y542 HydrophobicContact CB-CD1 3.5Å; D455-Y542 VanDerWaalsContact CB-CD1 3.5Å; D455-Y542 HydrophobicContact CB-CD2 4.23Å; D455-Y542 HydrophobicContact CB-CE1 3.74Å; D455-Y542 HydrophobicContact CB-CE2 4.41Å; D455-Y542 HydrophobicContact CB-CG 3.8Å; D455-Y542 WeakPolarHBondContact OD2-CD1 3.12Å; D455-Y542 WeakPolarHBondContact OD2-CE1 3.43Å; W536-Y542 AromaticContact CD1-CD1 3.44Å; W536-Y542 VanDerWaalsContact CD1-CD1 3.44Å; W536-Y542 AromaticContact CD1-CE1 3.94Å; W536-Y542 AromaticContact NE1-CD1 3.39Å; W536-Y542 AromaticContact NE1-CE1 3.77Å; N540-Y542 HydrophobicContact CB-CE2 3.91Å; N540-Y542 VanDerWaalsContact O-CD2 3.29Å; N540-Y542 WeakPolarHBondContact O-CD2 3.36Å; N540-Y542 WeakPolarHBondContact O-CE2 3.1Å; N540-Y542 PolarHBondContact O-N 3.42Å
543	G	76.7	Confident	84.9	Confident	21 Å²	21	28.3 Å²	28.3	22%	0.216	15%	0.148	C	C	.	.			trans	86.7	-150.5	178.7	0	0	0	0	0	113.3	D541	D541-G543 PolarHBondContact O-N 3.33Å; D541-G543 PolarHBondContact OD1-N 2.93Å
544	P	88.6	Confident	84.7	Confident	14 Å²	14	28.5 Å²	28.5	9%	0.091	15%	0.15	C	C	.	.			cis	-73.9	154.9	3.9	32.4	-37.3	0	0	0	113	P597 F599 W621 S622	P544-P597 HydrophobicContact CB-CG 4.44Å; P544-P597 HydrophobicContact CG-CG 4.36Å; P544-F599 HydrophobicContact CB-CE2 4.02Å; P544-W621 HydrophobicContact CB-CE3 3.9Å; P544-W621 HydrophobicContact CB-CZ3 3.73Å; P544-W621 HydrophobicContact CG-CE3 3.91Å; P544-W621 HydrophobicContact CG-CZ3 4.09Å; P544-S622 PolarHBondContact O-N 2.81Å
545	F	93.3	Very high	84.3	Confident	1 Å²	1	33 Å²	33	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.4	176.7	-50.9	-60.6	0	0	0	110.7	L532 D541 F568 H600 V601 L602 V623	L532-F545 HydrophobicContact CD2-CB 4.33Å; L532-F545 HydrophobicContact CD2-CD1 3.9Å; L532-F545 HydrophobicContact CD2-CD2 4.33Å; L532-F545 HydrophobicContact CD2-CE1 4.23Å; L532-F545 HydrophobicContact CD2-CG 3.94Å; D541-F545 HydrophobicContact CB-CZ 4.42Å; D541-F545 WeakPolarHBondContact O-CZ 3.46Å; F545-F568 HydrophobicContact CE2-CZ 4.28Å; F545-H600 WeakPolarHBondContact CD2-O 3.49Å; F545-H600 PolarHBondContact N-O 3.38Å; F545-V601 HydrophobicContact CB-CG2 4.47Å; F545-V601 HydrophobicContact CD2-CG2 4.2Å; F545-V601 WeakPolarHBondContact O-CA 3.38Å; F545-L602 PolarHBondContact O-N 3.31Å; F545-V623 HydrophobicContact CD1-CB 3.76Å; F545-V623 HydrophobicContact CD1-CG2 3.78Å; F545-V623 HydrophobicContact CE1-CB 4.35Å; F545-V623 HydrophobicContact CE1-CG2 3.85Å
546	I	94.4	Very high	84.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.2	177.5	-176.7	163.9	0	0	0	111.7	M548 L602 T604 W621 V623 L624 V625 Y646	I546-M548 HydrophobicContact CD1-CE 3.6Å; I546-M548 HydrophobicContact CD1-CG 4.46Å; I546-M548 HydrophobicContact CG1-CE 4.24Å; I546-M548 HydrophobicContact CG1-CG 4.22Å; I546-L602 WeakPolarHBondContact CA-O 3.41Å; I546-L602 HydrophobicContact CD1-CD2 4.37Å; I546-T604 HydrophobicContact CD1-CG2 4.29Å; I546-T604 HydrophobicContact CG1-CG2 4.44Å; I546-W621 HydrophobicContact CB-CD2 3.72Å; I546-W621 HydrophobicContact CB-CE3 3.47Å; I546-W621 VanDerWaalsContact CB-CE3 3.47Å; I546-W621 HydrophobicContact CB-CG 4.4Å; I546-W621 HydrophobicContact CB-CH2 4.1Å; I546-W621 HydrophobicContact CB-CZ2 4.33Å; I546-W621 HydrophobicContact CB-CZ3 3.65Å; I546-W621 HydrophobicContact CD1-CD2 4.47Å; I546-W621 HydrophobicContact CD1-CH2 4.29Å; I546-W621 HydrophobicContact CD1-CZ2 3.95Å; I546-W621 HydrophobicContact CG2-CB 4.01Å; I546-W621 HydrophobicContact CG2-CD2 3.55Å; I546-W621 HydrophobicContact CG2-CE3 3.7Å; I546-W621 HydrophobicContact CG2-CG 3.69Å; I546-W621 HydrophobicContact CG2-CZ3 4.38Å; I546-V623 PolarHBondContact N-O 3.35Å; I546-L624 HydrophobicContact CG2-CB 4.13Å; I546-L624 HydrophobicContact CG2-CD1 3.82Å; I546-V625 PolarHBondContact O-N 3.37Å; I546-Y646 HydrophobicContact CD1-CD2 4.48Å; I546-Y646 HydrophobicContact CD1-CE2 4Å
547	I	95.5	Very high	84.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.6	-178.5	-51.6	-176.6	0	0	0	108.5	L532 T549 W557 F561 V601 L602 I603 T604 V625	L532-I547 HydrophobicContact CD1-CD1 3.89Å; I547-T549 HydrophobicContact CG2-CG2 3.64Å; I547-W557 HydrophobicContact CD1-CE3 4.17Å; I547-W557 HydrophobicContact CD1-CZ3 4Å; I547-W557 HydrophobicContact CG2-CD2 4.21Å; I547-W557 HydrophobicContact CG2-CE3 4.08Å; I547-W557 HydrophobicContact CG2-CH2 4.19Å; I547-W557 HydrophobicContact CG2-CZ2 4.32Å; I547-W557 HydrophobicContact CG2-CZ3 4.07Å; I547-F561 HydrophobicContact CD1-CE2 3.61Å; I547-F561 HydrophobicContact CD1-CZ 3.52Å; I547-V601 HydrophobicContact CD1-CG1 3.61Å; I547-V601 HydrophobicContact CG1-CG1 4.07Å; I547-L602 PolarHBondContact N-O 2.93Å; I547-I603 WeakPolarHBondContact O-CA 3.46Å; I547-T604 PolarHBondContact O-N 2.71Å; I547-V625 WeakPolarHBondContact CA-O 3.22Å; I547-V625 HydrophobicContact CB-CB 4.38Å; I547-V625 HydrophobicContact CG1-CB 4.11Å; I547-V625 HydrophobicContact CG1-CG2 4.2Å; I547-V625 HydrophobicContact CG2-CB 4.12Å; I547-V625 HydrophobicContact CG2-CG1 4.25Å
548	M	94.2	Very high	84.7	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.7	-177.9	-60.9	-171.7	176	0	0	109.8	I546 T604 H606 A609 L624 V625 V626 D627 F639 T643 Y646	I546-M548 HydrophobicContact CD1-CE 3.6Å; I546-M548 HydrophobicContact CD1-CG 4.46Å; I546-M548 HydrophobicContact CG1-CE 4.24Å; I546-M548 HydrophobicContact CG1-CG 4.22Å; M548-T604 WeakPolarHBondContact CA-O 3.49Å; M548-T604 HydrophobicContact CG-CG2 4.08Å; M548-H606 PolarHBondContact O-NE2 2.74Å; M548-A609 HydrophobicContact CE-CB 3.76Å; M548-A609 HydrophobicContact CG-CB 4.49Å; M548-A609 HydrophobicContact SD-CB 3.87Å; M548-L624 HydrophobicContact CE-CD1 3.97Å; M548-L624 HydrophobicContact CG-CD1 4.05Å; M548-L624 HydrophobicContact SD-CD1 3.93Å; M548-V625 PolarHBondContact N-O 3.45Å; M548-V626 HydrophobicContact CB-CG2 4.5Å; M548-D627 PolarHBondContact O-N 3.34Å; M548-F639 HydrophobicContact CB-CZ 4.31Å; M548-F639 HydrophobicContact SD-CE2 3.76Å; M548-F639 HydrophobicContact SD-CZ 4.05Å; M548-T643 HydrophobicContact CE-CG2 3.8Å; M548-T643 HydrophobicContact SD-CG2 3.59Å; M548-T643 VanDerWaalsContact SD-CG2 3.59Å; M548-Y646 HydrophobicContact CE-CD2 3.88Å; M548-Y646 HydrophobicContact CE-CE2 3.41Å; M548-Y646 VanDerWaalsContact CE-CE2 3.41Å
549	T	91.6	Very high	84.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.7	-173.3	87.2	0	0	0	0	112.3	I547 T553 L554 W557 I603 T604 S605 H606 D627	I547-T549 HydrophobicContact CG2-CG2 3.64Å; T549-T553 WeakPolarHBondContact CB-OG1 3.36Å; T549-T553 PolarHBondContact OG1-OG1 2.9Å; T549-T553 VanDerWaalsContact OG1-OG1 3.08Å; T549-L554 WeakPolarHBondContact OG1-CD2 3.49Å; T549-W557 HydrophobicContact CG2-CD2 4.38Å; T549-W557 HydrophobicContact CG2-CG 4.22Å; T549-I603 HydrophobicContact CG2-CG2 4.28Å; T549-T604 PolarHBondContact N-O 3.5Å; T549-S605 VanDerWaalsContact O-CA 3.31Å; T549-S605 WeakPolarHBondContact O-CA 3.32Å; T549-H606 PolarHBondContact O-N 2.74Å; T549-D627 HydrophobicContact CG2-CB 3.87Å
550	P	86	Confident	85.6	Confident	17 Å²	17	33.9 Å²	33.9	11%	0.11	18%	0.175	C	C	.	.			trans	-52.7	148.5	163.6	-27.4	34.5	0	0	0	113.5	S552 T553 L554 E628	P550-S552 PolarHBondContact O-N 3.31Å; P550-T553 HydrophobicContact CB-CG2 4.5Å; P550-T553 VanDerWaalsContact CD-OG1 3.27Å; P550-T553 WeakPolarHBondContact CD-OG1 3.49Å; P550-T553 PolarHBondContact O-N 2.98Å; P550-T553 PolarHBondContact O-OG1 2.98Å; P550-L554 PolarHBondContact O-N 3.18Å; P550-E628 HydrophobicContact CG-CB 3.85Å; P550-E628 HydrophobicContact CG-CG 3.95Å
551	L	82.7	Confident	86.4	Confident	111 Å²	111	30.4 Å²	30.4	58%	0.581	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.5	179.6	-173.6	70.9	0	0	0	112.5	L554	L551-L554 HydrophobicContact CD1-CD1 3.88Å
552	S	76.5	Confident	86.8	Confident	48 Å²	48	32.6 Å²	32.6	34%	0.336	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.4	178	54.1	0	0	0	0	114.1	P550 E884	P550-S552 PolarHBondContact O-N 3.31Å; S552-E884 WeakPolarHBondContact CB-O 3.46Å; S552-E884 PolarHBondContact OG-O 3.38Å
553	T	82.5	Confident	87.3	Confident	14 Å²	14	31.4 Å²	31.4	9%	0.086	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-13.8	-176.4	48.1	0	0	0	0	114	T549 P550 Q555 N556 W557	T549-T553 WeakPolarHBondContact CB-OG1 3.36Å; T549-T553 PolarHBondContact OG1-OG1 2.9Å; T549-T553 VanDerWaalsContact OG1-OG1 3.08Å; P550-T553 HydrophobicContact CB-CG2 4.5Å; P550-T553 VanDerWaalsContact CD-OG1 3.27Å; P550-T553 WeakPolarHBondContact CD-OG1 3.49Å; P550-T553 PolarHBondContact O-N 2.98Å; P550-T553 PolarHBondContact O-OG1 2.98Å; T553-Q555 VanDerWaalsContact C-N 3.32Å; T553-Q555 PolarHBondContact O-N 3.49Å; T553-N556 WeakPolarHBondContact O-CA 3.34Å; T553-N556 WeakPolarHBondContact O-CB 3.46Å; T553-N556 PolarHBondContact O-N 3.31Å; T553-W557 PolarHBondContact O-N 3.48Å
554	L	85.5	Confident	87.9	Confident	7 Å²	7	31.2 Å²	31.2	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-50	-49.3	-178.6	-66	176.1	0	0	0	112.8	T549 P550 L551 N556 W557 D558 V572 I603	T549-L554 WeakPolarHBondContact OG1-CD2 3.49Å; P550-L554 PolarHBondContact O-N 3.18Å; L551-L554 HydrophobicContact CD1-CD1 3.88Å; L554-N556 VanDerWaalsContact C-N 3.3Å; L554-N556 PolarHBondContact O-N 3.08Å; L554-W557 PolarHBondContact O-N 3.49Å; L554-D558 PolarHBondContact O-N 3.39Å; L554-D558 VanDerWaalsContact O-N 3.1Å; L554-V572 HydrophobicContact CB-CG1 4.34Å; L554-I603 HydrophobicContact CD2-CG2 3.63Å
555	Q	81	Confident	87.9	Confident	94 Å²	94	30.6 Å²	30.6	44%	0.439	16%	0.159	S	C	.	.	H	α-helix	trans	-68.7	-26.7	179.4	-64.8	-173.4	-3.6	0	0	112.9	T553 R559	T553-Q555 VanDerWaalsContact C-N 3.32Å; T553-Q555 PolarHBondContact O-N 3.49Å; Q555-R559 WeakPolarHBondContact O-CB 3.46Å; Q555-R559 WeakPolarHBondContact O-CD 3.34Å; Q555-R559 WeakPolarHBondContact O-CG 3.35Å; Q555-R559 PolarHBondContact O-N 3.02Å; Q555-R559 VanDerWaalsContact O-N 3.16Å
556	N	84.5	Confident	87.5	Confident	38 Å²	38	33 Å²	33	20%	0.203	18%	0.175	C	C	.	.	H	α-helix	trans	-72.1	-42.5	174.2	-169.1	102.3	0	0	0	110.9	T553 L554 R559 E560	T553-N556 WeakPolarHBondContact O-CA 3.34Å; T553-N556 WeakPolarHBondContact O-CB 3.46Å; T553-N556 PolarHBondContact O-N 3.31Å; L554-N556 VanDerWaalsContact C-N 3.3Å; L554-N556 PolarHBondContact O-N 3.08Å; N556-R559 PolarHBondContact O-N 3.06Å; N556-E560 WeakPolarHBondContact O-CG 3.5Å; N556-E560 PolarHBondContact O-N 3.31Å
557	W	90.7	Very high	87	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-45.5	176	-82.3	87.1	0	0	0	111.7	T525 V528 I529 I547 T549 T553 L554 R559 E560 F561 I603 V625 D627 L654	T525-W557 HydrophobicContact CG2-CD2 3.66Å; T525-W557 HydrophobicContact CG2-CE3 3.71Å; T525-W557 HydrophobicContact CG2-CG 4.26Å; T525-W557 HydrophobicContact CG2-CH2 4.04Å; T525-W557 HydrophobicContact CG2-CZ2 3.97Å; T525-W557 HydrophobicContact CG2-CZ3 3.9Å; V528-W557 HydrophobicContact CB-CH2 4.2Å; V528-W557 HydrophobicContact CB-CZ3 4.49Å; V528-W557 HydrophobicContact CG1-CH2 4.2Å; V528-W557 HydrophobicContact CG1-CZ3 4.32Å; I529-W557 HydrophobicContact CD1-CE3 4.34Å; I529-W557 HydrophobicContact CD1-CZ3 4.49Å; I529-W557 HydrophobicContact CG1-CE3 4.35Å; I529-W557 HydrophobicContact CG1-CZ3 4.13Å; I547-W557 HydrophobicContact CD1-CE3 4.17Å; I547-W557 HydrophobicContact CD1-CZ3 4Å; I547-W557 HydrophobicContact CG2-CD2 4.21Å; I547-W557 HydrophobicContact CG2-CE3 4.08Å; I547-W557 HydrophobicContact CG2-CH2 4.19Å; I547-W557 HydrophobicContact CG2-CZ2 4.32Å; I547-W557 HydrophobicContact CG2-CZ3 4.07Å; T549-W557 HydrophobicContact CG2-CD2 4.38Å; T549-W557 HydrophobicContact CG2-CG 4.22Å; T553-W557 PolarHBondContact O-N 3.48Å; L554-W557 PolarHBondContact O-N 3.49Å; W557-R559 VanDerWaalsContact C-N 3.34Å; W557-R559 PolarHBondContact O-N 3.42Å; W557-E560 PolarHBondContact O-N 3.46Å; W557-F561 HydrophobicContact CE3-CD2 4.44Å; W557-F561 AromaticContact CE3-CE2 3.81Å; W557-F561 HydrophobicContact CE3-CE2 3.81Å; W557-F561 HydrophobicContact CZ3-CE2 4.37Å; W557-F561 VanDerWaalsContact O-CD2 3.29Å; W557-F561 WeakPolarHBondContact O-CD2 3.46Å; W557-F561 PolarHBondContact O-N 2.74Å; W557-I603 HydrophobicContact CB-CD1 3.98Å; W557-I603 HydrophobicContact CB-CG2 4.42Å; W557-V625 HydrophobicContact CH2-CG1 4.33Å; W557-D627 HydrophobicContact CZ2-CB 4.09Å; W557-D627 PolarHBondContact NE1-OD2 3.03Å; W557-L654 HydrophobicContact CH2-CD1 3.78Å; W557-L654 HydrophobicContact CZ2-CD1 3.68Å
558	D	88.3	Confident	86.6	Confident	50 Å²	50	37.4 Å²	37.4	27%	0.267	20%	0.197	S	C	.	.	H	α-helix	trans	-57.6	-43.1	175.7	-168.3	42.4	0	0	0	112.5	L554 S562 V572	L554-D558 PolarHBondContact O-N 3.39Å; L554-D558 VanDerWaalsContact O-N 3.1Å; D558-S562 WeakPolarHBondContact O-CB 3.41Å; D558-S562 PolarHBondContact O-N 3.29Å; D558-S562 PolarHBondContact O-OG 2.97Å; D558-V572 HydrophobicContact CB-CG2 4Å
559	R	85.4	Confident	86.2	Confident	112 Å²	112	38.4 Å²	38.4	42%	0.423	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-47	173.7	-74.8	168.5	177	-170	-3.8	112.7	Q555 N556 W557 S562 I563	Q555-R559 WeakPolarHBondContact O-CB 3.46Å; Q555-R559 WeakPolarHBondContact O-CD 3.34Å; Q555-R559 WeakPolarHBondContact O-CG 3.35Å; Q555-R559 PolarHBondContact O-N 3.02Å; Q555-R559 VanDerWaalsContact O-N 3.16Å; N556-R559 PolarHBondContact O-N 3.06Å; W557-R559 VanDerWaalsContact C-N 3.34Å; W557-R559 PolarHBondContact O-N 3.42Å; R559-S562 WeakPolarHBondContact O-CB 3.25Å; R559-S562 PolarHBondContact O-N 2.89Å; R559-I563 WeakPolarHBondContact O-CD1 3.46Å; R559-I563 WeakPolarHBondContact O-CG1 3.17Å; R559-I563 PolarHBondContact O-N 2.97Å; R559-I563 VanDerWaalsContact O-N 3.13Å
560	E	89.3	Confident	86.1	Confident	41 Å²	41	39 Å²	39	19%	0.192	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-40.8	179.9	-70.1	-64.9	155.4	0	0	111.5	T525 I529 N556 W557 S562 I563 W564	T525-E560 HydrophobicContact CG2-CB 4.18Å; T525-E560 HydrophobicContact CG2-CG 4.17Å; I529-E560 HydrophobicContact CD1-CB 3.56Å; N556-E560 WeakPolarHBondContact O-CG 3.5Å; N556-E560 PolarHBondContact O-N 3.31Å; W557-E560 PolarHBondContact O-N 3.46Å; E560-S562 VanDerWaalsContact C-N 3.34Å; E560-S562 PolarHBondContact O-N 3.14Å; E560-I563 PolarHBondContact O-N 3.25Å; E560-I563 VanDerWaalsContact O-N 3.09Å; E560-W564 VanDerWaalsContact O-CD1 3.22Å; E560-W564 PolarHBondContact O-N 3.46Å; E560-W564 VanDerWaalsContact OE2-CD1 3.23Å; E560-W564 PolarHBondContact OE2-NE1 2.85Å
561	F	91.1	Very high	86.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.8	-46.9	172.1	-89	-70	0	0	0	111.7	I529 L532 I547 W557 I563 W564 A565 F568 I570 V601 I603	I529-F561 HydrophobicContact CB-CD1 4.49Å; I529-F561 HydrophobicContact CB-CE1 4.26Å; I529-F561 HydrophobicContact CD1-CD1 4.4Å; I529-F561 HydrophobicContact CD1-CD2 4.21Å; I529-F561 HydrophobicContact CD1-CE2 4.4Å; I529-F561 HydrophobicContact CD1-CG 4.19Å; I529-F561 HydrophobicContact CG1-CD1 4.01Å; I529-F561 HydrophobicContact CG1-CD2 4.27Å; I529-F561 HydrophobicContact CG1-CE1 3.77Å; I529-F561 HydrophobicContact CG1-CE2 4.04Å; I529-F561 HydrophobicContact CG1-CG 4.24Å; I529-F561 HydrophobicContact CG1-CZ 3.77Å; I529-F561 HydrophobicContact CG2-CD1 3.79Å; I529-F561 HydrophobicContact CG2-CE1 3.89Å; L532-F561 HydrophobicContact CD1-CZ 4.29Å; I547-F561 HydrophobicContact CD1-CE2 3.61Å; I547-F561 HydrophobicContact CD1-CZ 3.52Å; W557-F561 HydrophobicContact CE3-CD2 4.44Å; W557-F561 AromaticContact CE3-CE2 3.81Å; W557-F561 HydrophobicContact CE3-CE2 3.81Å; W557-F561 HydrophobicContact CZ3-CE2 4.37Å; W557-F561 VanDerWaalsContact O-CD2 3.29Å; W557-F561 WeakPolarHBondContact O-CD2 3.46Å; W557-F561 PolarHBondContact O-N 2.74Å; F561-I563 PolarHBondContact O-N 3.23Å; F561-I563 VanDerWaalsContact O-N 3.14Å; F561-W564 PolarHBondContact O-N 3.11Å; F561-A565 HydrophobicContact CD1-CB 4.34Å; F561-A565 CarbonylContact O-C 3.58Å; F561-A565 VanDerWaalsContact O-C 3.29Å; F561-A565 WeakPolarHBondContact O-CA 3.49Å; F561-A565 PolarHBondContact O-N 3.26Å; F561-F568 HydrophobicContact CD1-CD2 4.07Å; F561-F568 AromaticContact CE1-CD2 3.89Å; F561-F568 HydrophobicContact CE1-CD2 3.89Å; F561-F568 HydrophobicContact CE1-CE2 4.23Å; F561-I570 HydrophobicContact CB-CD1 3.58Å; F561-I570 HydrophobicContact CB-CG1 4.23Å; F561-I570 HydrophobicContact CD1-CD1 4.26Å; F561-I570 HydrophobicContact CD1-CG1 4.32Å; F561-I570 HydrophobicContact CD2-CG1 4.46Å; F561-I570 HydrophobicContact CG-CD1 3.98Å; F561-I570 HydrophobicContact CG-CG1 4.11Å; F561-V601 HydrophobicContact CE1-CG2 4.17Å; F561-V601 HydrophobicContact CE2-CG1 4.03Å; F561-V601 HydrophobicContact CZ-CG1 3.83Å; F561-V601 HydrophobicContact CZ-CG2 4.2Å; F561-I603 HydrophobicContact CD2-CD1 3.88Å; F561-I603 HydrophobicContact CE2-CD1 3.99Å
562	S	87.6	Confident	86.6	Confident	63 Å²	63	34.2 Å²	34.2	44%	0.441	18%	0.18	S	C	.	.	H	α-helix	trans	-58.6	-25.6	176.4	-57.9	0	0	0	0	113.5	D558 R559 E560	D558-S562 WeakPolarHBondContact O-CB 3.41Å; D558-S562 PolarHBondContact O-N 3.29Å; D558-S562 PolarHBondContact O-OG 2.97Å; R559-S562 WeakPolarHBondContact O-CB 3.25Å; R559-S562 PolarHBondContact O-N 2.89Å; E560-S562 VanDerWaalsContact C-N 3.34Å; E560-S562 PolarHBondContact O-N 3.14Å
563	I	87.8	Confident	87.2	Confident	28 Å²	28	32 Å²	32	14%	0.144	16%	0.164	C	C	.	.	H	α-helix	trans	-87.2	-43.4	179.8	-71.3	164.6	0	0	0	112.2	S486 H489 R559 E560 F561	S486-I563 WeakPolarHBondContact CA-O 3.41Å; S486-I563 WeakPolarHBondContact CB-O 3.32Å; S486-I563 PolarHBondContact OG-O 3.22Å; H489-I563 PolarHBondContact ND1-O 2.75Å; R559-I563 WeakPolarHBondContact O-CD1 3.46Å; R559-I563 WeakPolarHBondContact O-CG1 3.17Å; R559-I563 PolarHBondContact O-N 2.97Å; R559-I563 VanDerWaalsContact O-N 3.13Å; E560-I563 PolarHBondContact O-N 3.25Å; E560-I563 VanDerWaalsContact O-N 3.09Å; F561-I563 PolarHBondContact O-N 3.23Å; F561-I563 VanDerWaalsContact O-N 3.14Å
564	W	89.1	Confident	87.4	Confident	17 Å²	17	33.2 Å²	33.2	6%	0.064	17%	0.173	C	C	.	.	H	α-helix	trans	-99.2	-31.1	-169.7	-67.4	102.2	0	0	0	114.6	S486 R491 L493 V526 I529 E560 F561	S486-W564 PolarHBondContact N-O 2.59Å; R491-W564 HydrophobicContact CB-CH2 3.52Å; R491-W564 HydrophobicContact CB-CZ2 4.03Å; R491-W564 HydrophobicContact CB-CZ3 3.8Å; L493-W564 HydrophobicContact CD2-CE3 4.18Å; L493-W564 HydrophobicContact CD2-CH2 3.64Å; L493-W564 HydrophobicContact CD2-CZ2 4.29Å; L493-W564 HydrophobicContact CD2-CZ3 3.59Å; L493-W564 HydrophobicContact CG-CH2 4.31Å; L493-W564 HydrophobicContact CG-CZ3 3.98Å; V526-W564 HydrophobicContact CG1-CD2 3.76Å; V526-W564 VanDerWaalsContact CG1-CE2 3.44Å; V526-W564 HydrophobicContact CG1-CE3 4.28Å; V526-W564 HydrophobicContact CG1-CG 4.15Å; V526-W564 HydrophobicContact CG1-CH2 4.26Å; V526-W564 HydrophobicContact CG1-CZ2 3.74Å; V526-W564 HydrophobicContact CG2-CZ2 4.49Å; I529-W564 HydrophobicContact CG2-CB 3.92Å; E560-W564 VanDerWaalsContact O-CD1 3.22Å; E560-W564 PolarHBondContact O-N 3.46Å; E560-W564 VanDerWaalsContact OE2-CD1 3.23Å; E560-W564 PolarHBondContact OE2-NE1 2.85Å; F561-W564 PolarHBondContact O-N 3.11Å
565	A	88.9	Confident	87.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.			trans	-138.1	60.9	-173.4	0	0	0	0	0	111.8	I529 Y533 F561 D567 F568	I529-A565 HydrophobicContact CG2-CB 3.95Å; Y533-A565 HydrophobicContact CD1-CB 4.3Å; Y533-A565 HydrophobicContact CD2-CB 3.59Å; Y533-A565 HydrophobicContact CE2-CB 3.99Å; Y533-A565 HydrophobicContact CG-CB 3.76Å; F561-A565 HydrophobicContact CD1-CB 4.34Å; F561-A565 CarbonylContact O-C 3.58Å; F561-A565 VanDerWaalsContact O-C 3.29Å; F561-A565 WeakPolarHBondContact O-CA 3.49Å; F561-A565 PolarHBondContact O-N 3.26Å; A565-D567 PolarHBondContact O-N 2.9Å; A565-F568 HydrophobicContact CB-CD2 3.88Å; A565-F568 HydrophobicContact CB-CG 4.49Å; A565-F568 PolarHBondContact O-N 3.26Å; A565-F568 VanDerWaalsContact O-N 3.08Å
566	P	84.3	Confident	87.2	Confident	53 Å²	53	36.1 Å²	36.1	34%	0.344	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20	-171.2	27.8	-36.7	0	0	0	114.8	P487 V488 F568	P487-P566 HydrophobicContact CG-CG 4.05Å; V488-P566 HydrophobicContact CG2-CG 4.43Å; P566-F568 VanDerWaalsContact C-N 3.28Å; P566-F568 PolarHBondContact O-N 3.31Å
567	D	84.6	Confident	87.2	Confident	81 Å²	81	41.3 Å²	41.3	43%	0.433	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-22.8	174.7	-62.5	5	0	0	0	113	Y533 W536 K537 A565 Y569	Y533-D567 HydrophobicContact CE2-CB 4.07Å; Y533-D567 VanDerWaalsContact OH-CG 3.23Å; Y533-D567 PolarHBondContact OH-OD2 2.86Å; W536-D567 HydrophobicContact CH2-CB 3.87Å; W536-D567 HydrophobicContact CZ3-CB 3.62Å; K537-D567 WeakPolarHBondContact CE-OD2 3.45Å; K537-D567 IonicContact NZ-OD2 2.69Å; K537-D567 PolarHBondContact NZ-OD2 2.79Å; A565-D567 PolarHBondContact O-N 2.9Å; D567-Y569 PolarHBondContact O-N 2.87Å
568	F	86.8	Confident	86.8	Confident	10 Å²	10	47.5 Å²	47.5	4%	0.044	25%	0.251	C	S	.	.	S	Bend	trans	-71.5	128.7	-174.8	-92.6	-24.4	0	0	0	111.2	L532 Y533 W536 F545 F561 A565 P566 I570 H600 V601	L532-F568 HydrophobicContact CB-CE2 4.17Å; L532-F568 HydrophobicContact CB-CZ 4.47Å; Y533-F568 HydrophobicContact CD2-CD1 4.19Å; Y533-F568 AromaticContact CD2-CD2 3.88Å; Y533-F568 HydrophobicContact CD2-CD2 3.88Å; Y533-F568 HydrophobicContact CD2-CE1 4.12Å; Y533-F568 AromaticContact CD2-CE2 3.81Å; Y533-F568 HydrophobicContact CD2-CE2 3.81Å; Y533-F568 HydrophobicContact CD2-CG 4.09Å; Y533-F568 AromaticContact CD2-CZ 3.94Å; Y533-F568 HydrophobicContact CD2-CZ 3.94Å; Y533-F568 HydrophobicContact CG-CE2 4.38Å; W536-F568 HydrophobicContact CB-CE1 3.61Å; W536-F568 HydrophobicContact CB-CZ 3.86Å; W536-F568 HydrophobicContact CD2-CD1 4.14Å; W536-F568 AromaticContact CD2-CE1 3.68Å; W536-F568 HydrophobicContact CD2-CE1 3.68Å; W536-F568 AromaticContact CE3-CD1 3.92Å; W536-F568 HydrophobicContact CE3-CD1 3.92Å; W536-F568 AromaticContact CE3-CE1 3.71Å; W536-F568 HydrophobicContact CE3-CE1 3.71Å; W536-F568 AromaticContact CG-CE1 3.65Å; W536-F568 HydrophobicContact CG-CE1 3.65Å; W536-F568 HydrophobicContact CG-CZ 4.4Å; W536-F568 HydrophobicContact CZ3-CD1 4.37Å; F545-F568 HydrophobicContact CE2-CZ 4.28Å; F561-F568 HydrophobicContact CD1-CD2 4.07Å; F561-F568 AromaticContact CE1-CD2 3.89Å; F561-F568 HydrophobicContact CE1-CD2 3.89Å; F561-F568 HydrophobicContact CE1-CE2 4.23Å; A565-F568 HydrophobicContact CB-CD2 3.88Å; A565-F568 HydrophobicContact CB-CG 4.49Å; A565-F568 PolarHBondContact O-N 3.26Å; A565-F568 VanDerWaalsContact O-N 3.08Å; P566-F568 VanDerWaalsContact C-N 3.28Å; P566-F568 PolarHBondContact O-N 3.31Å; F568-I570 HydrophobicContact CB-CD1 4.05Å; F568-I570 HydrophobicContact CB-CG1 4.26Å; F568-I570 WeakPolarHBondContact O-CD1 3.24Å; F568-I570 PolarHBondContact O-N 2.79Å; F568-H600 HydrophobicContact CD1-CB 4Å; F568-H600 HydrophobicContact CE1-CB 4.23Å; F568-V601 HydrophobicContact CD2-CG2 4.13Å; F568-V601 HydrophobicContact CE2-CG2 4.24Å; F568-V601 HydrophobicContact CG-CG2 4.49Å
569	Y	86.4	Confident	86.5	Confident	21 Å²	21	45.6 Å²	45.6	8%	0.082	24%	0.241	C	C	.	.			trans	-79.8	113	164.4	-158.9	-116.3	0	0	0	111.6	R448 M452 D567 V571 E587 A598 F599 H600 V601	R448-Y569 PolarHBondContact NH2-OH 3.21Å; M452-Y569 HydrophobicContact CE-CD1 3.98Å; M452-Y569 HydrophobicContact CE-CG 4.06Å; D567-Y569 PolarHBondContact O-N 2.87Å; Y569-V571 HydrophobicContact CD1-CG2 4.36Å; Y569-V571 HydrophobicContact CE1-CG2 3.94Å; Y569-E587 WeakPolarHBondContact CE1-OE2 3.3Å; Y569-E587 VanDerWaalsContact OH-CD 3.24Å; Y569-E587 PolarHBondContact OH-OE1 2.87Å; Y569-E587 PolarHBondContact OH-OE2 2.9Å; Y569-A598 WeakPolarHBondContact CD1-O 3.47Å; Y569-F599 HydrophobicContact CD1-CB 4.18Å; Y569-H600 PolarHBondContact N-ND1 2.92Å; Y569-H600 VanDerWaalsContact N-ND1 3.18Å; Y569-H600 PolarHBondContact O-N 2.98Å; Y569-H600 VanDerWaalsContact O-N 3.08Å; Y569-V601 PolarHBondContact O-N 3.46Å
570	I	89.3	Confident	86.6	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.072	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.5	-179.2	-55.3	115.3	0	0	0	110.1	F561 F568 V601 I603	F561-I570 HydrophobicContact CB-CD1 3.58Å; F561-I570 HydrophobicContact CB-CG1 4.23Å; F561-I570 HydrophobicContact CD1-CD1 4.26Å; F561-I570 HydrophobicContact CD1-CG1 4.32Å; F561-I570 HydrophobicContact CD2-CG1 4.46Å; F561-I570 HydrophobicContact CG-CD1 3.98Å; F561-I570 HydrophobicContact CG-CG1 4.11Å; F568-I570 HydrophobicContact CB-CD1 4.05Å; F568-I570 HydrophobicContact CB-CG1 4.26Å; F568-I570 WeakPolarHBondContact O-CD1 3.24Å; F568-I570 PolarHBondContact O-N 2.79Å; I570-V601 WeakPolarHBondContact CA-O 3.33Å; I570-V601 HydrophobicContact CG1-CB 4.12Å; I570-V601 HydrophobicContact CG2-CB 4.45Å; I570-V601 HydrophobicContact CG2-CG1 4.47Å; I570-I603 HydrophobicContact CG2-CD1 3.47Å; I570-I603 VanDerWaalsContact CG2-CD1 3.47Å; I570-I603 HydrophobicContact CG2-CG1 3.77Å
571	V	89.1	Confident	86.4	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120	171.7	176.1	0	0	0	0	109.1	Y569 L583 E587 F599 V601 L602 I603	Y569-V571 HydrophobicContact CD1-CG2 4.36Å; Y569-V571 HydrophobicContact CE1-CG2 3.94Å; V571-L583 HydrophobicContact CG1-CD2 4.33Å; V571-E587 HydrophobicContact CG1-CB 4.41Å; V571-E587 HydrophobicContact CG2-CB 4.27Å; V571-F599 HydrophobicContact CB-CB 4.43Å; V571-F599 HydrophobicContact CG2-CB 3.71Å; V571-F599 HydrophobicContact CG2-CG 4.25Å; V571-V601 PolarHBondContact N-O 3.43Å; V571-L602 HydrophobicContact CB-CD1 4.06Å; V571-L602 HydrophobicContact CG1-CD1 3.98Å; V571-I603 PolarHBondContact O-N 3.31Å
572	V	89.4	Confident	85.9	Confident	27 Å²	27	44.4 Å²	44.4	16%	0.164	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	100.2	176	-176.8	0	0	0	0	109.2	L554 D558 S574 I603	L554-V572 HydrophobicContact CB-CG1 4.34Å; D558-V572 HydrophobicContact CB-CG2 4Å; V572-S574 PolarHBondContact O-N 3.44Å; V572-I603 HydrophobicContact CG2-CD1 4.41Å
573	Y	90.1	Very high	85.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	96.2	-177.8	-166	-112.8	0	0	0	111.3	R580 L583 R584 F588 I603 L608 D612	Y573-R580 HydrophobicContact CE1-CG 4.35Å; Y573-R580 HydrophobicContact CE2-CB 4.13Å; Y573-R580 HydrophobicContact CE2-CG 4Å; Y573-L583 HydrophobicContact CD2-CB 4.3Å; Y573-L583 HydrophobicContact CD2-CD1 3.76Å; Y573-L583 HydrophobicContact CE2-CB 4.25Å; Y573-L583 HydrophobicContact CE2-CD1 4.24Å; Y573-R584 HydrophobicContact CE2-CG 4.38Å; Y573-R584 PolarHBondContact OH-NH1 3.05Å; Y573-F588 AromaticContact CD2-CE2 3.45Å; Y573-F588 HydrophobicContact CD2-CE2 3.45Å; Y573-F588 VanDerWaalsContact CD2-CE2 3.45Å; Y573-F588 AromaticContact CD2-CZ 3.53Å; Y573-F588 HydrophobicContact CD2-CZ 3.53Å; Y573-F588 AromaticContact CE2-CE2 3.55Å; Y573-F588 HydrophobicContact CE2-CE2 3.55Å; Y573-F588 AromaticContact CE2-CZ 3.76Å; Y573-F588 HydrophobicContact CE2-CZ 3.76Å; Y573-F588 HydrophobicContact CG-CE2 4.42Å; Y573-F588 HydrophobicContact CG-CZ 4.09Å; Y573-I603 PolarHBondContact N-O 3.19Å; Y573-L608 HydrophobicContact CD1-CB 4.39Å; Y573-L608 HydrophobicContact CD1-CD1 4.36Å; Y573-L608 WeakPolarHBondContact O-CD1 3.39Å; Y573-D612 HydrophobicContact CE1-CB 4.36Å; Y573-D612 WeakPolarHBondContact CE1-OD2 3.06Å; Y573-D612 VanDerWaalsContact CZ-OD2 3.26Å; Y573-D612 PolarHBondContact OH-OD2 3.36Å
574	S	86.2	Confident	85.7	Confident	40 Å²	40	43.9 Å²	43.9	28%	0.28	23%	0.234	S	C	.	.			trans	-151.9	163.8	-179.1	61.6	0	0	0	0	111.6	V572 V579	V572-S574 PolarHBondContact O-N 3.44Å; S574-V579 WeakPolarHBondContact O-CG1 3.29Å
575	G	80.1	Confident	85.2	Confident	40 Å²	40	45 Å²	45	41%	0.412	24%	0.24	S	C	.	.	S	Bend	trans	100.2	-175.3	176.5	0	0	0	0	0	115.5	R580	G575-R580 WeakPolarHBondContact O-CD 3.32Å; G575-R580 PolarHBondContact O-NE 3.23Å
576	D	81.6	Confident	84.7	Confident	123 Å²	123	46 Å²	46	66%	0.658	24%	0.244	S	C	*	.			trans	-69.9	170.2	-167.8	-52.8	-56.4	0	0	0	114.1	Q578 V579 R580	D576-Q578 PolarHBondContact O-N 3Å; D576-Q578 VanDerWaalsContact O-N 3.09Å; D576-V579 PolarHBondContact O-N 3.35Å; D576-R580 PolarHBondContact O-N 2.94Å
577	K	84.4	Confident	84.5	Confident	147 Å²	147	43.7 Å²	43.7	64%	0.639	23%	0.228	S	C	*	.	H	α-helix	trans	-50.9	-37.2	179.7	-168.8	176.1	180	179.5	0	112	A581	K577-A581 WeakPolarHBondContact O-CB 3.48Å; K577-A581 PolarHBondContact O-N 3.37Å; K577-A581 VanDerWaalsContact O-N 3.1Å
578	Q	82.2	Confident	84.3	Confident	131 Å²	131	39.8 Å²	39.8	61%	0.612	21%	0.208	S	C	*	.	H	α-helix	trans	-73.5	-45.5	177.2	-66.7	173.8	-11.8	0	0	113.1	I391 D576 R580 A581 M582	I391-Q578 HydrophobicContact CD1-CB 4.35Å; D576-Q578 PolarHBondContact O-N 3Å; D576-Q578 VanDerWaalsContact O-N 3.09Å; Q578-R580 VanDerWaalsContact C-N 3.32Å; Q578-R580 PolarHBondContact O-N 3.25Å; Q578-A581 WeakPolarHBondContact O-CB 3.21Å; Q578-A581 PolarHBondContact O-N 3.12Å; Q578-M582 PolarHBondContact O-N 3.29Å
579	V	83.7	Confident	84	Confident	9 Å²	9	44.2 Å²	44.2	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-43.5	175.6	171	0	0	0	0	110.6	I391 S574 D576 A581 M582 L583	I391-V579 HydrophobicContact CB-CG2 4.16Å; I391-V579 HydrophobicContact CG2-CG2 4.39Å; S574-V579 WeakPolarHBondContact O-CG1 3.29Å; D576-V579 PolarHBondContact O-N 3.35Å; V579-A581 VanDerWaalsContact C-N 3.35Å; V579-A581 PolarHBondContact O-N 3.05Å; V579-M582 PolarHBondContact O-N 3.35Å; V579-L583 HydrophobicContact CG1-CD1 4.28Å; V579-L583 WeakPolarHBondContact O-CG 3.37Å; V579-L583 PolarHBondContact O-N 3.44Å
580	R	86.4	Confident	83.3	Confident	32 Å²	32	44 Å²	44	12%	0.121	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-34	175.9	-70.4	-174.4	-68.1	120.7	-4.1	112.8	Y573 G575 D576 Q578 R584 D612	Y573-R580 HydrophobicContact CE1-CG 4.35Å; Y573-R580 HydrophobicContact CE2-CB 4.13Å; Y573-R580 HydrophobicContact CE2-CG 4Å; G575-R580 WeakPolarHBondContact O-CD 3.32Å; G575-R580 PolarHBondContact O-NE 3.23Å; D576-R580 PolarHBondContact O-N 2.94Å; Q578-R580 VanDerWaalsContact C-N 3.32Å; Q578-R580 PolarHBondContact O-N 3.25Å; R580-R584 VanDerWaalsContact O-CG 3.29Å; R580-R584 WeakPolarHBondContact O-CG 3.49Å; R580-R584 PolarHBondContact O-N 2.89Å; R580-D612 IonicContact CZ-OD2 3.57Å; R580-D612 IonicContact NH1-OD1 3.85Å; R580-D612 PolarHBondContact NH1-OD1 3.06Å; R580-D612 IonicContact NH1-OD2 3.95Å; R580-D612 PolarHBondContact NH1-OD2 3Å
581	A	85	Confident	82.1	Confident	46 Å²	46	48.7 Å²	48.7	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-48	172	0	0	0	0	0	111.9	K577 Q578 V579 L583 R584 E585	K577-A581 WeakPolarHBondContact O-CB 3.48Å; K577-A581 PolarHBondContact O-N 3.37Å; K577-A581 VanDerWaalsContact O-N 3.1Å; Q578-A581 WeakPolarHBondContact O-CB 3.21Å; Q578-A581 PolarHBondContact O-N 3.12Å; V579-A581 VanDerWaalsContact C-N 3.35Å; V579-A581 PolarHBondContact O-N 3.05Å; A581-L583 PolarHBondContact O-N 2.86Å; A581-R584 PolarHBondContact O-N 3.24Å; A581-E585 PolarHBondContact O-N 3.04Å
582	M	80.9	Confident	80.9	Confident	51 Å²	51	55.6 Å²	55.6	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-57	-46.4	174.8	-73.1	-66.7	-72.2	0	0	111.9	L382 Q578 V579 R584 E585 Y586	L382-M582 HydrophobicContact CD2-CE 4.37Å; Q578-M582 PolarHBondContact O-N 3.29Å; V579-M582 PolarHBondContact O-N 3.35Å; M582-R584 PolarHBondContact O-N 3.02Å; M582-E585 PolarHBondContact O-N 3.45Å; M582-Y586 HydrophobicContact CE-CD2 3.94Å; M582-Y586 HydrophobicContact CE-CE2 3.77Å; M582-Y586 WeakPolarHBondContact O-CD2 3.3Å; M582-Y586 PolarHBondContact O-N 2.98Å; M582-Y586 VanDerWaalsContact O-N 3.09Å; M582-Y586 HydrophobicContact SD-CD2 4.19Å; M582-Y586 HydrophobicContact SD-CE2 3.84Å
583	L	85	Confident	79.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-48.6	175.7	-72.9	171.7	0	0	0	111.4	Y390 V571 Y573 V579 A581 E585 Y586 E587 F588	Y390-L583 HydrophobicContact CD1-CD2 3.9Å; Y390-L583 HydrophobicContact CD2-CD2 4.01Å; Y390-L583 HydrophobicContact CE1-CD2 3.58Å; Y390-L583 HydrophobicContact CE2-CD2 3.72Å; Y390-L583 HydrophobicContact CG-CD2 4.11Å; Y390-L583 VanDerWaalsContact CZ-CD2 3.49Å; V571-L583 HydrophobicContact CG1-CD2 4.33Å; Y573-L583 HydrophobicContact CD2-CB 4.3Å; Y573-L583 HydrophobicContact CD2-CD1 3.76Å; Y573-L583 HydrophobicContact CE2-CB 4.25Å; Y573-L583 HydrophobicContact CE2-CD1 4.24Å; V579-L583 HydrophobicContact CG1-CD1 4.28Å; V579-L583 WeakPolarHBondContact O-CG 3.37Å; V579-L583 PolarHBondContact O-N 3.44Å; A581-L583 PolarHBondContact O-N 2.86Å; L583-E585 VanDerWaalsContact C-N 3.29Å; L583-E585 PolarHBondContact O-N 3.48Å; L583-Y586 PolarHBondContact O-N 3.08Å; L583-E587 HydrophobicContact CD2-CB 4.29Å; L583-E587 HydrophobicContact CD2-CG 4.1Å; L583-E587 WeakPolarHBondContact O-CA 3.46Å; L583-E587 WeakPolarHBondContact O-CB 3.29Å; L583-E587 PolarHBondContact O-N 3.43Å; L583-F588 HydrophobicContact CB-CD2 4.46Å; L583-F588 HydrophobicContact CB-CE2 4.21Å; L583-F588 WeakPolarHBondContact O-CD2 3.31Å; L583-F588 PolarHBondContact O-N 3.26Å
584	R	85.6	Confident	78.1	Confident	79 Å²	79	59 Å²	59	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-29.8	-179.8	-70	-173.6	-61.9	-123.3	10.7	114	Y573 R580 A581 M582 F588 D612 F615	Y573-R584 HydrophobicContact CE2-CG 4.38Å; Y573-R584 PolarHBondContact OH-NH1 3.05Å; R580-R584 VanDerWaalsContact O-CG 3.29Å; R580-R584 WeakPolarHBondContact O-CG 3.49Å; R580-R584 PolarHBondContact O-N 2.89Å; A581-R584 PolarHBondContact O-N 3.24Å; M582-R584 PolarHBondContact O-N 3.02Å; R584-F588 HydrophobicContact CG-CD2 4.18Å; R584-F588 HydrophobicContact CG-CE2 4.3Å; R584-D612 IonicContact NH1-OD1 3.99Å; R584-D612 PolarHBondContact NH1-OD1 3.46Å; R584-D612 IonicContact NH1-OD2 2.74Å; R584-D612 PolarHBondContact NH1-OD2 3.47Å; R584-F615 HydrophobicContact CB-CZ 4.18Å; R584-F615 HydrophobicContact CG-CD1 4.12Å; R584-F615 HydrophobicContact CG-CE1 3.55Å; R584-F615 HydrophobicContact CG-CE2 4.3Å; R584-F615 HydrophobicContact CG-CZ 3.66Å
585	E	80	Confident	77.2	Confident	40 Å²	40	58.9 Å²	58.9	19%	0.187	32%	0.323	C	S	.	.	H	α-helix	trans	-84.5	-27.4	-179.4	-155	-147.7	143.3	0	0	114.1	L104 A581 M582 L583 R591	L104-E585 HydrophobicContact CD1-CG 4.17Å; A581-E585 PolarHBondContact O-N 3.04Å; M582-E585 PolarHBondContact O-N 3.45Å; L583-E585 VanDerWaalsContact C-N 3.29Å; L583-E585 PolarHBondContact O-N 3.48Å; E585-R591 VanDerWaalsContact CD-NH2 3.29Å; E585-R591 PolarHBondContact O-NE 3.39Å; E585-R591 PolarHBondContact O-NH2 3.12Å; E585-R591 IonicContact OE1-CZ 3.8Å; E585-R591 IonicContact OE1-NH1 3.49Å; E585-R591 IonicContact OE1-NH2 2.86Å; E585-R591 PolarHBondContact OE1-NH2 3.1Å
586	Y	77.5	Confident	76.9	Confident	22 Å²	22	58.3 Å²	58.3	9%	0.086	31%	0.31	C	S	.	.	H	α-helix	trans	-118.4	-29.8	-171.4	-66.5	-76.9	0	0	0	115	A344 L382 W395 M582 L583	A344-Y586 HydrophobicContact CB-CD1 3.79Å; A344-Y586 HydrophobicContact CB-CE1 4.01Å; L382-Y586 HydrophobicContact CD2-CD1 3.99Å; L382-Y586 HydrophobicContact CD2-CD2 4.37Å; L382-Y586 HydrophobicContact CD2-CE1 3.88Å; L382-Y586 HydrophobicContact CD2-CE2 4.33Å; L382-Y586 HydrophobicContact CD2-CG 4.25Å; W395-Y586 HydrophobicContact CZ2-CE1 4.38Å; M582-Y586 HydrophobicContact CE-CD2 3.94Å; M582-Y586 HydrophobicContact CE-CE2 3.77Å; M582-Y586 WeakPolarHBondContact O-CD2 3.3Å; M582-Y586 PolarHBondContact O-N 2.98Å; M582-Y586 VanDerWaalsContact O-N 3.09Å; M582-Y586 HydrophobicContact SD-CD2 4.19Å; M582-Y586 HydrophobicContact SD-CE2 3.84Å; L583-Y586 PolarHBondContact O-N 3.08Å
587	E	80.3	Confident	76.8	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.014	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-14.9	-169.3	-68.3	-96.8	-128	0	0	114.3	R341 L343 Y390 Y569 V571 L583	R341-E587 IonicContact NH1-OE1 2.69Å; L343-E587 HydrophobicContact CD2-CG 4.34Å; Y390-E587 HydrophobicContact CE1-CG 4.12Å; Y390-E587 WeakPolarHBondContact CE1-OE1 3.47Å; Y390-E587 PolarHBondContact OH-OE1 3.45Å; Y569-E587 WeakPolarHBondContact CE1-OE2 3.3Å; Y569-E587 VanDerWaalsContact OH-CD 3.24Å; Y569-E587 PolarHBondContact OH-OE1 2.87Å; Y569-E587 PolarHBondContact OH-OE2 2.9Å; V571-E587 HydrophobicContact CG1-CB 4.41Å; V571-E587 HydrophobicContact CG2-CB 4.27Å; L583-E587 HydrophobicContact CD2-CB 4.29Å; L583-E587 HydrophobicContact CD2-CG 4.1Å; L583-E587 WeakPolarHBondContact O-CA 3.46Å; L583-E587 WeakPolarHBondContact O-CB 3.29Å; L583-E587 PolarHBondContact O-N 3.43Å
588	F	81.1	Confident	76.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-89.9	-38.3	-174.6	-91.5	-95.7	0	0	0	115.7	Y573 L583 R584 P597 A598 F599 L602 F615 L616 F619	Y573-F588 AromaticContact CD2-CE2 3.45Å; Y573-F588 HydrophobicContact CD2-CE2 3.45Å; Y573-F588 VanDerWaalsContact CD2-CE2 3.45Å; Y573-F588 AromaticContact CD2-CZ 3.53Å; Y573-F588 HydrophobicContact CD2-CZ 3.53Å; Y573-F588 AromaticContact CE2-CE2 3.55Å; Y573-F588 HydrophobicContact CE2-CE2 3.55Å; Y573-F588 AromaticContact CE2-CZ 3.76Å; Y573-F588 HydrophobicContact CE2-CZ 3.76Å; Y573-F588 HydrophobicContact CG-CE2 4.42Å; Y573-F588 HydrophobicContact CG-CZ 4.09Å; L583-F588 HydrophobicContact CB-CD2 4.46Å; L583-F588 HydrophobicContact CB-CE2 4.21Å; L583-F588 WeakPolarHBondContact O-CD2 3.31Å; L583-F588 PolarHBondContact O-N 3.26Å; R584-F588 HydrophobicContact CG-CD2 4.18Å; R584-F588 HydrophobicContact CG-CE2 4.3Å; F588-P597 WeakPolarHBondContact O-CA 3.36Å; F588-A598 PolarHBondContact O-N 3.45Å; F588-F599 HydrophobicContact CB-CE1 4.36Å; F588-F599 HydrophobicContact CD1-CD1 4.49Å; F588-F599 AromaticContact CD1-CE1 3.53Å; F588-F599 HydrophobicContact CD1-CE1 3.53Å; F588-F599 AromaticContact CD1-CZ 4Å; F588-F599 HydrophobicContact CD1-CZ 4Å; F588-F599 HydrophobicContact CE1-CE1 4.1Å; F588-F599 HydrophobicContact CE1-CZ 4.2Å; F588-F599 HydrophobicContact CG-CE1 4.1Å; F588-F599 WeakPolarHBondContact O-CE1 3.41Å; F588-L602 HydrophobicContact CE1-CD1 3.81Å; F588-L602 HydrophobicContact CE1-CD2 3.89Å; F588-L602 HydrophobicContact CE2-CD1 4.38Å; F588-L602 HydrophobicContact CZ-CD1 3.56Å; F588-L602 HydrophobicContact CZ-CD2 4.08Å; F588-F615 HydrophobicContact CB-CZ 4Å; F588-F615 AromaticContact CD1-CE1 3.47Å; F588-F615 HydrophobicContact CD1-CE1 3.47Å; F588-F615 VanDerWaalsContact CD1-CE1 3.47Å; F588-F615 AromaticContact CD1-CZ 3.71Å; F588-F615 HydrophobicContact CD1-CZ 3.71Å; F588-F615 HydrophobicContact CD2-CE1 4.19Å; F588-F615 HydrophobicContact CD2-CZ 4.38Å; F588-F615 HydrophobicContact CE1-CD1 4.45Å; F588-F615 AromaticContact CE1-CE1 3.52Å; F588-F615 HydrophobicContact CE1-CE1 3.52Å; F588-F615 HydrophobicContact CE1-CZ 4.25Å; F588-F615 HydrophobicContact CE2-CE1 4.22Å; F588-F615 AromaticContact CG-CE1 3.8Å; F588-F615 HydrophobicContact CG-CE1 3.8Å; F588-F615 AromaticContact CG-CZ 3.76Å; F588-F615 HydrophobicContact CG-CZ 3.76Å; F588-F615 AromaticContact CZ-CE1 3.89Å; F588-F615 HydrophobicContact CZ-CE1 3.89Å; F588-L616 HydrophobicContact CE1-CD2 4.25Å; F588-F619 HydrophobicContact CB-CZ 4.47Å; F588-F619 AromaticContact CD1-CE2 4Å; F588-F619 HydrophobicContact CD1-CE2 4Å; F588-F619 AromaticContact CD1-CZ 3.77Å; F588-F619 HydrophobicContact CD1-CZ 3.77Å; F588-F619 HydrophobicContact CE1-CE2 4.46Å
589	R	80	Confident	76.9	Confident	102 Å²	102	41.7 Å²	41.7	39%	0.385	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-134.9	137.2	-175.2	-71.9	-179	176.3	151.9	5.7	110.8	R591 I596 S618 F619	R589-R591 PolarHBondContact O-N 3.33Å; R589-I596 WeakPolarHBondContact CA-O 3.41Å; R589-S618 PolarHBondContact NH2-OG 3.4Å; R589-F619 HydrophobicContact CG-CE1 4.34Å; R589-F619 HydrophobicContact CG-CZ 4.34Å
590	L	70.5	Confident	77.2	Confident	17 Å²	17	41.9 Å²	41.9	9%	0.089	24%	0.236	C	C	.	.			trans	-66.9	120.7	175.7	-78.2	130.9	0	0	0	109.9	V449 M452 L453 N592 A593 I596 A598	V449-L590 HydrophobicContact CB-CD2 4.24Å; V449-L590 HydrophobicContact CG1-CD2 3.73Å; V449-L590 HydrophobicContact CG2-CD2 3.99Å; M452-L590 HydrophobicContact CB-CD1 4.38Å; L453-L590 HydrophobicContact CD2-CD1 4.46Å; L453-L590 HydrophobicContact CG-CD2 4.46Å; L590-N592 PolarHBondContact O-N 3.02Å; L590-A593 HydrophobicContact CB-CB 3.67Å; L590-A593 PolarHBondContact O-N 2.95Å; L590-I596 HydrophobicContact CD1-CB 4.16Å; L590-I596 HydrophobicContact CD1-CG2 3.72Å; L590-I596 PolarHBondContact N-O 3.43Å; L590-A598 HydrophobicContact CD1-CB 4.28Å; L590-A598 HydrophobicContact CG-CB 3.92Å
591	R	65.7	Low	77.4	Confident	113 Å²	113	40.4 Å²	40.4	43%	0.426	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	136.6	178.1	-66.4	-172.9	-179.9	-151.4	-6.9	110	E585 R589 A593	E585-R591 VanDerWaalsContact CD-NH2 3.29Å; E585-R591 PolarHBondContact O-NE 3.39Å; E585-R591 PolarHBondContact O-NH2 3.12Å; E585-R591 IonicContact OE1-CZ 3.8Å; E585-R591 IonicContact OE1-NH1 3.49Å; E585-R591 IonicContact OE1-NH2 2.86Å; E585-R591 PolarHBondContact OE1-NH2 3.1Å; R589-R591 PolarHBondContact O-N 3.33Å; R591-A593 PolarHBondContact O-N 3.4Å; R591-A593 VanDerWaalsContact O-N 3.16Å
592	N	62.3	Low	77.8	Confident	144 Å²	144	38.2 Å²	38.2	77%	0.77	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	7.4	-176.8	-54.5	-5.1	0	0	0	116.1	L590	L590-N592 PolarHBondContact O-N 3.02Å
593	A	60.6	Low	78.4	Confident	11 Å²	11	35.8 Å²	35.8	9%	0.091	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	53	-174.9	0	0	0	0	0	113.8	L453 L590 R591 G595 I596	L453-A593 HydrophobicContact CD2-CB 3.76Å; L590-A593 HydrophobicContact CB-CB 3.67Å; L590-A593 PolarHBondContact O-N 2.95Å; R591-A593 PolarHBondContact O-N 3.4Å; R591-A593 VanDerWaalsContact O-N 3.16Å; A593-G595 PolarHBondContact O-N 3.05Å; A593-I596 HydrophobicContact CB-CD1 4.49Å; A593-I596 VanDerWaalsContact O-CG1 3.3Å; A593-I596 WeakPolarHBondContact O-CG1 3.47Å; A593-I596 PolarHBondContact O-N 3.31Å; A593-I596 VanDerWaalsContact O-N 3.09Å
594	G	60.8	Low	78.8	Confident	87 Å²	87	35.7 Å²	35.7	90%	0.897	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	9.4	165.9	0	0	0	0	0	117.7
595	G	68.2	Low	79.1	Confident	39 Å²	39	32 Å²	32	40%	0.402	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	5.6	-176.8	0	0	0	0	0	115.6	A593	A593-G595 PolarHBondContact O-N 3.05Å
596	I	73.6	Confident	79.6	Confident	28 Å²	28	31.1 Å²	31.1	14%	0.144	18%	0.182	C	C	.	.			trans	-54.3	132.4	176.9	-63.7	166.8	0	0	0	110.3	L453 A456 Y457 R589 L590 A593	L453-I596 HydrophobicContact CD2-CD1 4.25Å; A456-I596 HydrophobicContact CB-CD1 3.97Å; A456-I596 HydrophobicContact CB-CG1 4.41Å; A456-I596 HydrophobicContact CB-CG2 3.76Å; Y457-I596 HydrophobicContact CE2-CD1 4.22Å; R589-I596 WeakPolarHBondContact CA-O 3.41Å; L590-I596 HydrophobicContact CD1-CB 4.16Å; L590-I596 HydrophobicContact CD1-CG2 3.72Å; L590-I596 PolarHBondContact N-O 3.43Å; A593-I596 HydrophobicContact CB-CD1 4.49Å; A593-I596 VanDerWaalsContact O-CG1 3.3Å; A593-I596 WeakPolarHBondContact O-CG1 3.47Å; A593-I596 PolarHBondContact O-N 3.31Å; A593-I596 VanDerWaalsContact O-N 3.09Å
597	P	79.9	Confident	80.1	Confident	37 Å²	37	36 Å²	36	24%	0.24	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-66.1	137.6	178.1	27.4	-34.4	0	0	0	111.3	P544 F588 F599 F619	P544-P597 HydrophobicContact CB-CG 4.44Å; P544-P597 HydrophobicContact CG-CG 4.36Å; F588-P597 WeakPolarHBondContact O-CA 3.36Å; P597-F599 VanDerWaalsContact C-N 3.29Å; P597-F599 HydrophobicContact CB-CD1 4.44Å; P597-F599 HydrophobicContact CB-CE1 4.04Å; P597-F599 HydrophobicContact CB-CZ 4.2Å; P597-F599 PolarHBondContact O-N 2.89Å; P597-F619 HydrophobicContact CB-CD1 4.31Å; P597-F619 HydrophobicContact CB-CE1 4.16Å
598	A	81.4	Confident	80.6	Confident	10 Å²	10	36.6 Å²	36.6	8%	0.083	21%	0.209	C	C	.	.	S	Bend	trans	-90.7	19.4	-176.8	0	0	0	0	0	114	M452 Y569 F588 L590	M452-A598 VanDerWaalsContact CE-O 3.3Å; M452-A598 WeakPolarHBondContact CE-O 3.35Å; Y569-A598 WeakPolarHBondContact CD1-O 3.47Å; F588-A598 PolarHBondContact O-N 3.45Å; L590-A598 HydrophobicContact CD1-CB 4.28Å; L590-A598 HydrophobicContact CG-CB 3.92Å
599	F	87.1	Confident	81	Confident	5 Å²	5	36.6 Å²	36.6	2%	0.022	21%	0.209	C	C	.	.			trans	-150.9	153.7	-173.9	61.5	-90.4	0	0	0	111.4	P544 Y569 V571 F588 P597 L602 F619 W621	P544-F599 HydrophobicContact CB-CE2 4.02Å; Y569-F599 HydrophobicContact CD1-CB 4.18Å; V571-F599 HydrophobicContact CB-CB 4.43Å; V571-F599 HydrophobicContact CG2-CB 3.71Å; V571-F599 HydrophobicContact CG2-CG 4.25Å; F588-F599 HydrophobicContact CB-CE1 4.36Å; F588-F599 HydrophobicContact CD1-CD1 4.49Å; F588-F599 AromaticContact CD1-CE1 3.53Å; F588-F599 HydrophobicContact CD1-CE1 3.53Å; F588-F599 AromaticContact CD1-CZ 4Å; F588-F599 HydrophobicContact CD1-CZ 4Å; F588-F599 HydrophobicContact CE1-CE1 4.1Å; F588-F599 HydrophobicContact CE1-CZ 4.2Å; F588-F599 HydrophobicContact CG-CE1 4.1Å; F588-F599 WeakPolarHBondContact O-CE1 3.41Å; P597-F599 VanDerWaalsContact C-N 3.29Å; P597-F599 HydrophobicContact CB-CD1 4.44Å; P597-F599 HydrophobicContact CB-CE1 4.04Å; P597-F599 HydrophobicContact CB-CZ 4.2Å; P597-F599 PolarHBondContact O-N 2.89Å; F599-L602 HydrophobicContact CD2-CB 4.15Å; F599-L602 HydrophobicContact CE2-CB 3.74Å; F599-L602 HydrophobicContact CE2-CD1 4.47Å; F599-L602 HydrophobicContact CZ-CB 4.44Å; F599-F619 HydrophobicContact CZ-CE1 4.47Å; F599-W621 AromaticContact CE2-CH2 3.93Å; F599-W621 HydrophobicContact CE2-CH2 3.93Å; F599-W621 AromaticContact CE2-CZ3 3.91Å; F599-W621 HydrophobicContact CE2-CZ3 3.91Å; F599-W621 AromaticContact CZ-CH2 3.99Å; F599-W621 HydrophobicContact CZ-CH2 3.99Å; F599-W621 HydrophobicContact CZ-CZ3 4.37Å
600	H	88.2	Confident	81.4	Confident	13 Å²	13	32.8 Å²	32.8	6%	0.06	20%	0.198	C	C	.	.	S	Bend	trans	-92	-42.3	175.4	-50.9	94.4	0	0	0	111.1	M452 F545 F568 Y569	M452-H600 WeakPolarHBondContact CE-CE1 2.99Å; F545-H600 WeakPolarHBondContact CD2-O 3.49Å; F545-H600 PolarHBondContact N-O 3.38Å; F568-H600 HydrophobicContact CD1-CB 4Å; F568-H600 HydrophobicContact CE1-CB 4.23Å; Y569-H600 PolarHBondContact N-ND1 2.92Å; Y569-H600 VanDerWaalsContact N-ND1 3.18Å; Y569-H600 PolarHBondContact O-N 2.98Å; Y569-H600 VanDerWaalsContact O-N 3.08Å
601	V	92.1	Very high	82.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.5	-176.1	-176.9	0	0	0	0	110.4	F545 I547 F561 F568 Y569 I570 V571 I603	F545-V601 HydrophobicContact CB-CG2 4.47Å; F545-V601 HydrophobicContact CD2-CG2 4.2Å; F545-V601 WeakPolarHBondContact O-CA 3.38Å; I547-V601 HydrophobicContact CD1-CG1 3.61Å; I547-V601 HydrophobicContact CG1-CG1 4.07Å; F561-V601 HydrophobicContact CE1-CG2 4.17Å; F561-V601 HydrophobicContact CE2-CG1 4.03Å; F561-V601 HydrophobicContact CZ-CG1 3.83Å; F561-V601 HydrophobicContact CZ-CG2 4.2Å; F568-V601 HydrophobicContact CD2-CG2 4.13Å; F568-V601 HydrophobicContact CE2-CG2 4.24Å; F568-V601 HydrophobicContact CG-CG2 4.49Å; Y569-V601 PolarHBondContact O-N 3.46Å; I570-V601 WeakPolarHBondContact CA-O 3.33Å; I570-V601 HydrophobicContact CG1-CB 4.12Å; I570-V601 HydrophobicContact CG2-CB 4.45Å; I570-V601 HydrophobicContact CG2-CG1 4.47Å; V571-V601 PolarHBondContact N-O 3.43Å; V601-I603 HydrophobicContact CG1-CG1 4.06Å
602	L	93.6	Very high	83.3	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.6	167.2	-169.2	74	0	0	0	109.8	F545 I546 I547 V571 F588 F599 L616 W621	F545-L602 PolarHBondContact O-N 3.31Å; I546-L602 WeakPolarHBondContact CA-O 3.41Å; I546-L602 HydrophobicContact CD1-CD2 4.37Å; I547-L602 PolarHBondContact N-O 2.93Å; V571-L602 HydrophobicContact CB-CD1 4.06Å; V571-L602 HydrophobicContact CG1-CD1 3.98Å; F588-L602 HydrophobicContact CE1-CD1 3.81Å; F588-L602 HydrophobicContact CE1-CD2 3.89Å; F588-L602 HydrophobicContact CE2-CD1 4.38Å; F588-L602 HydrophobicContact CZ-CD1 3.56Å; F588-L602 HydrophobicContact CZ-CD2 4.08Å; F599-L602 HydrophobicContact CD2-CB 4.15Å; F599-L602 HydrophobicContact CE2-CB 3.74Å; F599-L602 HydrophobicContact CE2-CD1 4.47Å; F599-L602 HydrophobicContact CZ-CB 4.44Å; L602-L616 HydrophobicContact CD2-CD2 3.63Å; L602-W621 HydrophobicContact CB-CH2 3.94Å; L602-W621 HydrophobicContact CB-CZ3 4.11Å; L602-W621 HydrophobicContact CD2-CH2 3.69Å; L602-W621 HydrophobicContact CD2-CZ2 4.22Å; L602-W621 HydrophobicContact CG-CH2 4.45Å
603	I	93.8	Very high	84.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.9	172	-47.3	175.9	0	0	0	108.1	I547 T549 L554 W557 F561 I570 V571 V572 Y573 V601	I547-I603 WeakPolarHBondContact O-CA 3.46Å; T549-I603 HydrophobicContact CG2-CG2 4.28Å; L554-I603 HydrophobicContact CD2-CG2 3.63Å; W557-I603 HydrophobicContact CB-CD1 3.98Å; W557-I603 HydrophobicContact CB-CG2 4.42Å; F561-I603 HydrophobicContact CD2-CD1 3.88Å; F561-I603 HydrophobicContact CE2-CD1 3.99Å; I570-I603 HydrophobicContact CG2-CD1 3.47Å; I570-I603 VanDerWaalsContact CG2-CD1 3.47Å; I570-I603 HydrophobicContact CG2-CG1 3.77Å; V571-I603 PolarHBondContact O-N 3.31Å; V572-I603 HydrophobicContact CG2-CD1 4.41Å; Y573-I603 PolarHBondContact N-O 3.19Å; V601-I603 HydrophobicContact CG1-CG1 4.06Å
604	T	93.3	Very high	85.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.3	-177.3	-163.8	0	0	0	0	112.7	I546 I547 M548 T549 A609	I546-T604 HydrophobicContact CD1-CG2 4.29Å; I546-T604 HydrophobicContact CG1-CG2 4.44Å; I547-T604 PolarHBondContact O-N 2.71Å; M548-T604 WeakPolarHBondContact CA-O 3.49Å; M548-T604 HydrophobicContact CG-CG2 4.08Å; T549-T604 PolarHBondContact N-O 3.5Å; T604-A609 HydrophobicContact CG2-CB 4.3Å
605	S	91.7	Very high	86.9	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	152.8	174.4	76.6	0	0	0	0	112	T549 E607 L608 A609	T549-S605 VanDerWaalsContact O-CA 3.31Å; T549-S605 WeakPolarHBondContact O-CA 3.32Å; S605-E607 PolarHBondContact O-N 3.21Å; S605-L608 PolarHBondContact O-N 3.12Å; S605-L608 WeakPolarHBondContact OG-CB 3.47Å; S605-L608 WeakPolarHBondContact OG-CG 3.42Å; S605-L608 PolarHBondContact OG-N 2.98Å; S605-L608 VanDerWaalsContact OG-N 3.11Å; S605-A609 PolarHBondContact O-N 3.15Å
606	H	89.8	Confident	87.8	Confident	21 Å²	21	28.8 Å²	28.8	10%	0.097	15%	0.152	C	C	.	.	H	α-helix	trans	-53.7	-33.8	173.4	-60.1	169.6	0	0	0	112.5	M548 T549 C610 D627 F639	M548-H606 PolarHBondContact O-NE2 2.74Å; T549-H606 PolarHBondContact O-N 2.74Å; H606-C610 PolarHBondContact O-SG 2.73Å; H606-D627 PolarHBondContact CE1-O 3.05Å; H606-D627 PolarHBondContact NE2-O 3.47Å; H606-F639 HydrophobicContact CB-CD2 4.07Å; H606-F639 HydrophobicContact CB-CE1 4.44Å; H606-F639 HydrophobicContact CB-CE2 3.8Å; H606-F639 HydrophobicContact CB-CZ 4Å; H606-F639 AromaticContact CD2-CZ 3.54Å; H606-F639 AromaticContact CG-CZ 3.72Å
607	E	88.8	Confident	88.4	Confident	123 Å²	123	31.9 Å²	31.9	58%	0.575	16%	0.164	S	C	*	.	H	α-helix	trans	-72.9	-46.4	179	-64.4	162	178.6	0	0	112.1	S605 A609 C610 I611	S605-E607 PolarHBondContact O-N 3.21Å; E607-A609 VanDerWaalsContact C-N 3.32Å; E607-A609 PolarHBondContact O-N 3.12Å; E607-C610 WeakPolarHBondContact O-CB 3.46Å; E607-C610 PolarHBondContact O-N 3Å; E607-I611 WeakPolarHBondContact O-CG1 3.33Å; E607-I611 PolarHBondContact O-N 3.25Å
608	L	89.9	Confident	88.7	Confident	17 Å²	17	33 Å²	33	9%	0.089	17%	0.173	C	C	.	.	H	α-helix	trans	-69	-31.4	-179.9	-73.8	174.3	0	0	0	112.5	Y573 S605 C610 I611 D612	Y573-L608 HydrophobicContact CD1-CB 4.39Å; Y573-L608 HydrophobicContact CD1-CD1 4.36Å; Y573-L608 WeakPolarHBondContact O-CD1 3.39Å; S605-L608 PolarHBondContact O-N 3.12Å; S605-L608 WeakPolarHBondContact OG-CB 3.47Å; S605-L608 WeakPolarHBondContact OG-CG 3.42Å; S605-L608 PolarHBondContact OG-N 2.98Å; S605-L608 VanDerWaalsContact OG-N 3.11Å; L608-C610 PolarHBondContact O-N 3.44Å; L608-I611 HydrophobicContact CD2-CD1 4.46Å; L608-I611 PolarHBondContact O-N 3.4Å; L608-D612 PolarHBondContact O-N 2.91Å
609	A	89.2	Confident	88.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-29.9	168.9	0	0	0	0	0	113	M548 T604 S605 E607 F639 Y646	M548-A609 HydrophobicContact CE-CB 3.76Å; M548-A609 HydrophobicContact CG-CB 4.49Å; M548-A609 HydrophobicContact SD-CB 3.87Å; T604-A609 HydrophobicContact CG2-CB 4.3Å; S605-A609 PolarHBondContact O-N 3.15Å; E607-A609 VanDerWaalsContact C-N 3.32Å; E607-A609 PolarHBondContact O-N 3.12Å; A609-F639 HydrophobicContact CB-CE2 4.47Å; A609-Y646 PolarHBondContact O-OH 3.37Å
610	C	89	Confident	88.8	Confident	22 Å²	22	38.5 Å²	38.5	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-81	-41	174.7	-63.1	0	0	0	0	112.6	H606 E607 L608 Y642	H606-C610 PolarHBondContact O-SG 2.73Å; E607-C610 WeakPolarHBondContact O-CB 3.46Å; E607-C610 PolarHBondContact O-N 3Å; L608-C610 PolarHBondContact O-N 3.44Å; C610-Y642 HydrophobicContact CB-CD2 4.01Å
611	I	88.5	Confident	89	Confident	73 Å²	73	37.9 Å²	37.9	37%	0.374	20%	0.198	S	C	.	.	H	α-helix	trans	-71.9	-53.2	-175.6	-66.4	163.9	0	0	0	111.2	E607 L608 R613	E607-I611 WeakPolarHBondContact O-CG1 3.33Å; E607-I611 PolarHBondContact O-N 3.25Å; L608-I611 HydrophobicContact CD2-CD1 4.46Å; L608-I611 PolarHBondContact O-N 3.4Å; I611-R613 PolarHBondContact O-N 3.36Å
612	D	88.4	Confident	88.9	Confident	19 Å²	19	37.9 Å²	37.9	10%	0.102	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	29.3	-176.9	-68.5	-39	0	0	0	112.6	Y573 R580 R584 L608 S614 F615 L616	Y573-D612 HydrophobicContact CE1-CB 4.36Å; Y573-D612 WeakPolarHBondContact CE1-OD2 3.06Å; Y573-D612 VanDerWaalsContact CZ-OD2 3.26Å; Y573-D612 PolarHBondContact OH-OD2 3.36Å; R580-D612 IonicContact CZ-OD2 3.57Å; R580-D612 IonicContact NH1-OD1 3.85Å; R580-D612 PolarHBondContact NH1-OD1 3.06Å; R580-D612 IonicContact NH1-OD2 3.95Å; R580-D612 PolarHBondContact NH1-OD2 3Å; R584-D612 IonicContact NH1-OD1 3.99Å; R584-D612 PolarHBondContact NH1-OD1 3.46Å; R584-D612 IonicContact NH1-OD2 2.74Å; R584-D612 PolarHBondContact NH1-OD2 3.47Å; L608-D612 PolarHBondContact O-N 2.91Å; D612-S614 PolarHBondContact O-N 2.84Å; D612-S614 VanDerWaalsContact O-N 3.13Å; D612-F615 PolarHBondContact O-N 2.99Å; D612-L616 HydrophobicContact CB-CD1 4.45Å; D612-L616 PolarHBondContact O-N 2.84Å
613	R	86.5	Confident	88.8	Confident	90 Å²	90	37.9 Å²	37.9	34%	0.34	20%	0.198	S	C	.	.	H	α-helix	trans	-51.9	-37.9	-174.9	67	179.3	-175.6	163.9	2.3	113.7	I611 F615 K617 Y642	I611-R613 PolarHBondContact O-N 3.36Å; R613-F615 VanDerWaalsContact C-N 3.35Å; R613-F615 PolarHBondContact O-N 3.29Å; R613-K617 WeakPolarHBondContact O-CB 3.43Å; R613-K617 PolarHBondContact O-N 3.24Å; R613-Y642 PolarHBondContact NH1-OH 3.03Å; R613-Y642 VanDerWaalsContact NH1-OH 3.13Å
614	S	85.5	Confident	88.9	Confident	102 Å²	102	37.9 Å²	37.9	71%	0.713	20%	0.198	S	C	*	.	H	α-helix	trans	-66.1	-36	-178.8	48.8	0	0	0	0	112.6	D612	D612-S614 PolarHBondContact O-N 2.84Å; D612-S614 VanDerWaalsContact O-N 3.13Å
615	F	86	Confident	88.9	Confident	42 Å²	42	37.9 Å²	37.9	18%	0.184	20%	0.198	C	C	.	.	H	α-helix	trans	-80.8	-45.8	178.1	179	-108	0	0	0	111.6	R584 F588 D612 R613 K617 S618 F619	R584-F615 HydrophobicContact CB-CZ 4.18Å; R584-F615 HydrophobicContact CG-CD1 4.12Å; R584-F615 HydrophobicContact CG-CE1 3.55Å; R584-F615 HydrophobicContact CG-CE2 4.3Å; R584-F615 HydrophobicContact CG-CZ 3.66Å; F588-F615 HydrophobicContact CB-CZ 4Å; F588-F615 AromaticContact CD1-CE1 3.47Å; F588-F615 HydrophobicContact CD1-CE1 3.47Å; F588-F615 VanDerWaalsContact CD1-CE1 3.47Å; F588-F615 AromaticContact CD1-CZ 3.71Å; F588-F615 HydrophobicContact CD1-CZ 3.71Å; F588-F615 HydrophobicContact CD2-CE1 4.19Å; F588-F615 HydrophobicContact CD2-CZ 4.38Å; F588-F615 HydrophobicContact CE1-CD1 4.45Å; F588-F615 AromaticContact CE1-CE1 3.52Å; F588-F615 HydrophobicContact CE1-CE1 3.52Å; F588-F615 HydrophobicContact CE1-CZ 4.25Å; F588-F615 HydrophobicContact CE2-CE1 4.22Å; F588-F615 AromaticContact CG-CE1 3.8Å; F588-F615 HydrophobicContact CG-CE1 3.8Å; F588-F615 AromaticContact CG-CZ 3.76Å; F588-F615 HydrophobicContact CG-CZ 3.76Å; F588-F615 AromaticContact CZ-CE1 3.89Å; F588-F615 HydrophobicContact CZ-CE1 3.89Å; D612-F615 PolarHBondContact O-N 2.99Å; R613-F615 VanDerWaalsContact C-N 3.35Å; R613-F615 PolarHBondContact O-N 3.29Å; F615-K617 VanDerWaalsContact C-N 3.31Å; F615-K617 PolarHBondContact O-N 2.96Å; F615-S618 WeakPolarHBondContact O-CB 3.43Å; F615-S618 PolarHBondContact O-N 3.43Å; F615-S618 PolarHBondContact O-OG 3.01Å; F615-F619 HydrophobicContact CD1-CE2 4.49Å; F615-F619 HydrophobicContact CE1-CE2 4.02Å; F615-F619 HydrophobicContact CE2-CE2 4.31Å; F615-F619 AromaticContact CZ-CE2 3.91Å; F615-F619 HydrophobicContact CZ-CE2 3.91Å; F615-F619 HydrophobicContact CZ-CZ 4.12Å
616	L	87.7	Confident	89	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-24.2	-177.3	-65.4	174.4	0	0	0	113.6	F588 L602 D612 S618 W621 Y646	F588-L616 HydrophobicContact CE1-CD2 4.25Å; L602-L616 HydrophobicContact CD2-CD2 3.63Å; D612-L616 HydrophobicContact CB-CD1 4.45Å; D612-L616 PolarHBondContact O-N 2.84Å; L616-S618 PolarHBondContact O-N 3.27Å; L616-W621 HydrophobicContact CD2-CZ2 4.47Å; L616-W621 PolarHBondContact O-NE1 3.12Å; L616-Y646 HydrophobicContact CB-CE2 3.86Å; L616-Y646 WeakPolarHBondContact CB-OH 3.42Å
617	K	86.6	Confident	89.2	Confident	93 Å²	93	37.4 Å²	37.4	40%	0.404	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.3	169.7	-174.1	175.4	179.2	-175.6	0	113.4	R613 F615 F619	R613-K617 WeakPolarHBondContact O-CB 3.43Å; R613-K617 PolarHBondContact O-N 3.24Å; F615-K617 VanDerWaalsContact C-N 3.31Å; F615-K617 PolarHBondContact O-N 2.96Å; K617-F619 PolarHBondContact O-N 2.87Å
618	S	85.2	Confident	89.1	Confident	61 Å²	61	32.6 Å²	32.6	43%	0.427	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	14.4	-179.4	75.9	0	0	0	0	115	R589 F615 L616	R589-S618 PolarHBondContact NH2-OG 3.4Å; F615-S618 WeakPolarHBondContact O-CB 3.43Å; F615-S618 PolarHBondContact O-N 3.43Å; F615-S618 PolarHBondContact O-OG 3.01Å; L616-S618 PolarHBondContact O-N 3.27Å
619	F	85.6	Confident	89	Confident	12 Å²	12	31.9 Å²	31.9	5%	0.053	17%	0.17	C	C	.	.	S	Bend	trans	-126.1	132.9	176.2	-63.9	-89.8	0	0	0	109.6	F588 R589 P597 F599 F615 K617 W621	F588-F619 HydrophobicContact CB-CZ 4.47Å; F588-F619 AromaticContact CD1-CE2 4Å; F588-F619 HydrophobicContact CD1-CE2 4Å; F588-F619 AromaticContact CD1-CZ 3.77Å; F588-F619 HydrophobicContact CD1-CZ 3.77Å; F588-F619 HydrophobicContact CE1-CE2 4.46Å; R589-F619 HydrophobicContact CG-CE1 4.34Å; R589-F619 HydrophobicContact CG-CZ 4.34Å; P597-F619 HydrophobicContact CB-CD1 4.31Å; P597-F619 HydrophobicContact CB-CE1 4.16Å; F599-F619 HydrophobicContact CZ-CE1 4.47Å; F615-F619 HydrophobicContact CD1-CE2 4.49Å; F615-F619 HydrophobicContact CE1-CE2 4.02Å; F615-F619 HydrophobicContact CE2-CE2 4.31Å; F615-F619 AromaticContact CZ-CE2 3.91Å; F615-F619 HydrophobicContact CZ-CE2 3.91Å; F615-F619 HydrophobicContact CZ-CZ 4.12Å; K617-F619 PolarHBondContact O-N 2.87Å; F619-W621 HydrophobicContact CB-CD2 4.36Å; F619-W621 HydrophobicContact CB-CH2 4.37Å; F619-W621 HydrophobicContact CB-CZ2 3.74Å; F619-W621 HydrophobicContact CD2-CZ2 4.2Å; F619-W621 HydrophobicContact CG-CZ2 4.15Å; F619-W621 PolarHBondContact O-N 2.73Å; F619-W621 PolarHBondContact O-NE1 2.91Å
620	D	86.5	Confident	88.6	Confident	118 Å²	118	33.1 Å²	33.1	63%	0.631	18%	0.176	S	C	*	.			trans	-82.1	100.6	174	-73.6	-45.9	0	0	0	110.2
621	W	90.5	Very high	88.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.5	-174	-60.1	100.5	0	0	0	111.4	P544 I546 F599 L602 L616 F619 Y646 H647 T648 K649	P544-W621 HydrophobicContact CB-CE3 3.9Å; P544-W621 HydrophobicContact CB-CZ3 3.73Å; P544-W621 HydrophobicContact CG-CE3 3.91Å; P544-W621 HydrophobicContact CG-CZ3 4.09Å; I546-W621 HydrophobicContact CB-CD2 3.72Å; I546-W621 HydrophobicContact CB-CE3 3.47Å; I546-W621 VanDerWaalsContact CB-CE3 3.47Å; I546-W621 HydrophobicContact CB-CG 4.4Å; I546-W621 HydrophobicContact CB-CH2 4.1Å; I546-W621 HydrophobicContact CB-CZ2 4.33Å; I546-W621 HydrophobicContact CB-CZ3 3.65Å; I546-W621 HydrophobicContact CD1-CD2 4.47Å; I546-W621 HydrophobicContact CD1-CH2 4.29Å; I546-W621 HydrophobicContact CD1-CZ2 3.95Å; I546-W621 HydrophobicContact CG2-CB 4.01Å; I546-W621 HydrophobicContact CG2-CD2 3.55Å; I546-W621 HydrophobicContact CG2-CE3 3.7Å; I546-W621 HydrophobicContact CG2-CG 3.69Å; I546-W621 HydrophobicContact CG2-CZ3 4.38Å; F599-W621 AromaticContact CE2-CH2 3.93Å; F599-W621 HydrophobicContact CE2-CH2 3.93Å; F599-W621 AromaticContact CE2-CZ3 3.91Å; F599-W621 HydrophobicContact CE2-CZ3 3.91Å; F599-W621 AromaticContact CZ-CH2 3.99Å; F599-W621 HydrophobicContact CZ-CH2 3.99Å; F599-W621 HydrophobicContact CZ-CZ3 4.37Å; L602-W621 HydrophobicContact CB-CH2 3.94Å; L602-W621 HydrophobicContact CB-CZ3 4.11Å; L602-W621 HydrophobicContact CD2-CH2 3.69Å; L602-W621 HydrophobicContact CD2-CZ2 4.22Å; L602-W621 HydrophobicContact CG-CH2 4.45Å; L616-W621 HydrophobicContact CD2-CZ2 4.47Å; L616-W621 PolarHBondContact O-NE1 3.12Å; F619-W621 HydrophobicContact CB-CD2 4.36Å; F619-W621 HydrophobicContact CB-CH2 4.37Å; F619-W621 HydrophobicContact CB-CZ2 3.74Å; F619-W621 HydrophobicContact CD2-CZ2 4.2Å; F619-W621 HydrophobicContact CG-CZ2 4.15Å; F619-W621 PolarHBondContact O-N 2.73Å; F619-W621 PolarHBondContact O-NE1 2.91Å; W621-Y646 AromaticContact CD1-CD2 3.99Å; W621-Y646 AromaticContact NE1-CD2 3.88Å; W621-H647 PolarHBondContact N-O 3.25Å; W621-H647 VanDerWaalsContact N-O 3.08Å; W621-T648 HydrophobicContact CB-CG2 3.97Å; W621-T648 WeakPolarHBondContact O-CA 3.49Å; W621-K649 PolarHBondContact O-N 2.55Å
622	S	90.2	Very high	88.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-49.7	176.5	-146.7	0	0	0	0	110.9	D541 P544 K649 F650	D541-S622 VanDerWaalsContact CG-OG 3.28Å; D541-S622 PolarHBondContact OD1-OG 2.94Å; D541-S622 WeakPolarHBondContact OD2-CB 3.36Å; D541-S622 PolarHBondContact OD2-OG 2.99Å; P544-S622 PolarHBondContact O-N 2.81Å; S622-K649 WeakPolarHBondContact O-CB 3.35Å; S622-K649 PolarHBondContact O-N 3.06Å; S622-K649 PolarHBondContact OG-NZ 2.66Å; S622-F650 PolarHBondContact O-N 2.65Å
623	V	92.9	Very high	87.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.2	175.7	-175	0	0	0	0	110.3	Y508 L532 L535 F545 I546 V625 F650 I652	Y508-V623 HydrophobicContact CE2-CG2 4.16Å; L532-V623 HydrophobicContact CD2-CB 3.98Å; L532-V623 HydrophobicContact CD2-CG1 4.06Å; L532-V623 HydrophobicContact CD2-CG2 4.08Å; L535-V623 HydrophobicContact CD1-CG2 4.24Å; F545-V623 HydrophobicContact CD1-CB 3.76Å; F545-V623 HydrophobicContact CD1-CG2 3.78Å; F545-V623 HydrophobicContact CE1-CB 4.35Å; F545-V623 HydrophobicContact CE1-CG2 3.85Å; I546-V623 PolarHBondContact N-O 3.35Å; V623-V625 HydrophobicContact CG1-CG2 4.03Å; V623-F650 WeakPolarHBondContact CA-O 3.23Å; V623-F650 HydrophobicContact CG1-CD1 3.97Å; V623-F650 HydrophobicContact CG2-CB 4.32Å; V623-F650 HydrophobicContact CG2-CD1 4.22Å; V623-I652 HydrophobicContact CG1-CD1 3.98Å; V623-I652 HydrophobicContact CG1-CG1 4.13Å
624	L	94.3	Very high	87.7	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124	165.2	164.6	66.4	0	0	0	109.4	I546 M548 V626 T643 T648 F650 K651 I652 F672	I546-L624 HydrophobicContact CG2-CB 4.13Å; I546-L624 HydrophobicContact CG2-CD1 3.82Å; M548-L624 HydrophobicContact CE-CD1 3.97Å; M548-L624 HydrophobicContact CG-CD1 4.05Å; M548-L624 HydrophobicContact SD-CD1 3.93Å; L624-V626 HydrophobicContact CD1-CG2 4.01Å; L624-V626 HydrophobicContact CD2-CG2 4.43Å; L624-V626 HydrophobicContact CG-CG2 4.17Å; L624-T643 HydrophobicContact CD1-CG2 4.21Å; L624-T643 HydrophobicContact CD2-CG2 3.63Å; L624-T648 HydrophobicContact CB-CG2 3.58Å; L624-T648 HydrophobicContact CD2-CG2 4.09Å; L624-T648 HydrophobicContact CG-CG2 4.44Å; L624-F650 PolarHBondContact N-O 3.22Å; L624-K651 HydrophobicContact CD2-CG 4.39Å; L624-K651 CarbonylContact O-C 3.54Å; L624-K651 WeakPolarHBondContact O-CA 3.49Å; L624-I652 PolarHBondContact O-N 3.23Å; L624-F672 HydrophobicContact CD2-CE1 4.29Å; L624-F672 HydrophobicContact CD2-CZ 4.05Å
625	V	95.3	Very high	87.6	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.2	170.5	-174	0	0	0	0	108.8	V528 I546 I547 M548 W557 V623 I652 L654	V528-V625 HydrophobicContact CG1-CG1 4.1Å; V528-V625 HydrophobicContact CG1-CG2 3.83Å; I546-V625 PolarHBondContact O-N 3.37Å; I547-V625 WeakPolarHBondContact CA-O 3.22Å; I547-V625 HydrophobicContact CB-CB 4.38Å; I547-V625 HydrophobicContact CG1-CB 4.11Å; I547-V625 HydrophobicContact CG1-CG2 4.2Å; I547-V625 HydrophobicContact CG2-CB 4.12Å; I547-V625 HydrophobicContact CG2-CG1 4.25Å; M548-V625 PolarHBondContact N-O 3.45Å; W557-V625 HydrophobicContact CH2-CG1 4.33Å; V623-V625 HydrophobicContact CG1-CG2 4.03Å; V625-I652 CarbonylContact C-O 3.5Å; V625-I652 WeakPolarHBondContact CA-O 3.46Å; V625-I652 HydrophobicContact CG2-CB 4.42Å; V625-I652 HydrophobicContact CG2-CD1 4.25Å; V625-L654 HydrophobicContact CG1-CD1 3.85Å; V625-L654 HydrophobicContact CG1-CG 4.08Å
626	V	93.7	Very high	87.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.2	170.6	-175.9	0	0	0	0	108.9	M548 L624 A629 L632 F639 I652 L653 L654	M548-V626 HydrophobicContact CB-CG2 4.5Å; L624-V626 HydrophobicContact CD1-CG2 4.01Å; L624-V626 HydrophobicContact CD2-CG2 4.43Å; L624-V626 HydrophobicContact CG-CG2 4.17Å; V626-A629 HydrophobicContact CB-CB 4.5Å; V626-A629 HydrophobicContact CG1-CB 4.21Å; V626-L632 HydrophobicContact CG1-CD1 4.14Å; V626-L632 HydrophobicContact CG2-CD1 4.44Å; V626-F639 HydrophobicContact CG1-CE1 3.91Å; V626-F639 HydrophobicContact CG1-CZ 3.91Å; V626-I652 PolarHBondContact N-O 3.33Å; V626-L653 HydrophobicContact CB-CD2 3.8Å; V626-L653 HydrophobicContact CG2-CD2 4.02Å; V626-L654 PolarHBondContact O-N 3.1Å
627	D	92	Very high	87.3	Confident	13 Å²	13	42.7 Å²	42.7	7%	0.07	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	148.1	173.4	-163.2	16.2	0	0	0	111.2	M548 T549 W557 H606 A629 L654	M548-D627 PolarHBondContact O-N 3.34Å; T549-D627 HydrophobicContact CG2-CB 3.87Å; W557-D627 HydrophobicContact CZ2-CB 4.09Å; W557-D627 PolarHBondContact NE1-OD2 3.03Å; H606-D627 PolarHBondContact CE1-O 3.05Å; H606-D627 PolarHBondContact NE2-O 3.47Å; D627-A629 VanDerWaalsContact C-N 3.29Å; D627-A629 PolarHBondContact O-N 3.27Å; D627-L654 HydrophobicContact CB-CD1 4.36Å
628	E	87.1	Confident	87.4	Confident	22 Å²	22	40.6 Å²	40.6	10%	0.103	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	51.9	-165.7	-67.6	-64.3	179.7	0	0	113.1	P550 H630 R631 L654	P550-E628 HydrophobicContact CG-CB 3.85Å; P550-E628 HydrophobicContact CG-CG 3.95Å; E628-H630 PolarHBondContact O-N 2.96Å; E628-H630 IonicContact OE2-CE1 2.83Å; E628-H630 PolarHBondContact OE2-CE1 3.43Å; E628-H630 VanDerWaalsContact OE2-CE1 3.29Å; E628-H630 IonicContact OE2-ND1 2.68Å; E628-H630 PolarHBondContact OE2-ND1 3.32Å; E628-R631 PolarHBondContact O-N 3.41Å; E628-L654 PolarHBondContact N-O 3.04Å
629	A	88.2	Confident	87.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.008	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-59.2	-8.4	-176	0	0	0	0	0	115.1	V626 D627 R631 L632 L653 L654 L669	V626-A629 HydrophobicContact CB-CB 4.5Å; V626-A629 HydrophobicContact CG1-CB 4.21Å; D627-A629 VanDerWaalsContact C-N 3.29Å; D627-A629 PolarHBondContact O-N 3.27Å; A629-R631 PolarHBondContact O-N 2.83Å; A629-L632 WeakPolarHBondContact O-CB 3.22Å; A629-L632 PolarHBondContact O-N 3.13Å; A629-L653 HydrophobicContact CB-CB 3.76Å; A629-L653 HydrophobicContact CB-CD1 4.39Å; A629-L653 HydrophobicContact CB-CD2 4.04Å; A629-L653 HydrophobicContact CB-CG 4.28Å; A629-L654 WeakPolarHBondContact CB-O 3.09Å; A629-L654 PolarHBondContact N-O 2.94Å; A629-L669 WeakPolarHBondContact O-CD2 3.38Å
630	H	81.8	Confident	87.8	Confident	27 Å²	27	38.4 Å²	38.4	13%	0.125	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-55.9	-16.8	169.1	71.9	-108.8	0	0	0	113	E628 L632 K633	E628-H630 PolarHBondContact O-N 2.96Å; E628-H630 IonicContact OE2-CE1 2.83Å; E628-H630 PolarHBondContact OE2-CE1 3.43Å; E628-H630 VanDerWaalsContact OE2-CE1 3.29Å; E628-H630 IonicContact OE2-ND1 2.68Å; E628-H630 PolarHBondContact OE2-ND1 3.32Å; H630-L632 VanDerWaalsContact C-N 3.26Å; H630-L632 PolarHBondContact O-N 3.37Å; H630-K633 VanDerWaalsContact O-CB 3.32Å; H630-K633 WeakPolarHBondContact O-CB 3.33Å; H630-K633 WeakPolarHBondContact O-CG 3.43Å; H630-K633 PolarHBondContact O-N 3.06Å
631	R	83.5	Confident	87.9	Confident	121 Å²	121	36.4 Å²	36.4	46%	0.457	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-65.4	-22.1	170.3	-66	-73.2	178.2	133.1	3.4	113.9	E628 A629 K633 F639 E884	E628-R631 PolarHBondContact O-N 3.41Å; A629-R631 PolarHBondContact O-N 2.83Å; R631-K633 VanDerWaalsContact C-N 3.26Å; R631-K633 PolarHBondContact O-N 3Å; R631-F639 HydrophobicContact CB-CD1 4.37Å; R631-F639 HydrophobicContact CB-CE1 4.49Å; R631-E884 IonicContact NH2-OE1 2.68Å
632	L	85.9	Confident	87.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-83.1	7.6	177.9	-68.3	167.5	0	0	0	113.9	V626 A629 H630 N634 F639 F640 L653 L669 F672	V626-L632 HydrophobicContact CG1-CD1 4.14Å; V626-L632 HydrophobicContact CG2-CD1 4.44Å; A629-L632 WeakPolarHBondContact O-CB 3.22Å; A629-L632 PolarHBondContact O-N 3.13Å; H630-L632 VanDerWaalsContact C-N 3.26Å; H630-L632 PolarHBondContact O-N 3.37Å; L632-N634 PolarHBondContact O-N 3.44Å; L632-F639 HydrophobicContact CD2-CD1 3.52Å; L632-F639 HydrophobicContact CD2-CE1 3.72Å; L632-F639 HydrophobicContact CD2-CG 4.37Å; L632-F639 HydrophobicContact CG-CD1 4.01Å; L632-F639 HydrophobicContact CG-CE1 3.89Å; L632-F640 HydrophobicContact CB-CD2 4.32Å; L632-F640 HydrophobicContact CD2-CB 4.1Å; L632-F640 HydrophobicContact CD2-CD2 4.22Å; L632-F640 WeakPolarHBondContact O-CD2 3.4Å; L632-L653 HydrophobicContact CD1-CD1 4.47Å; L632-L653 HydrophobicContact CD1-CD2 3.76Å; L632-L669 HydrophobicContact CB-CD2 3.74Å; L632-F672 HydrophobicContact CD1-CD1 3.87Å; L632-F672 HydrophobicContact CD1-CD2 4.31Å; L632-F672 HydrophobicContact CD1-CE1 3.93Å; L632-F672 HydrophobicContact CD1-CE2 4.37Å; L632-F672 HydrophobicContact CD1-CG 4.06Å; L632-F672 HydrophobicContact CD1-CZ 4.18Å; L632-F672 HydrophobicContact CD2-CD2 4.18Å; L632-F672 HydrophobicContact CD2-CE2 4.12Å
633	K	81.4	Confident	87.8	Confident	85 Å²	85	37.1 Å²	37.1	37%	0.37	17%	0.165	S	C	.	.			trans	-62.8	-6	-173.2	71.4	-178.3	-148.5	135.8	0	117	H630 R631 E665 H668	H630-K633 VanDerWaalsContact O-CB 3.32Å; H630-K633 WeakPolarHBondContact O-CB 3.33Å; H630-K633 WeakPolarHBondContact O-CG 3.43Å; H630-K633 PolarHBondContact O-N 3.06Å; R631-K633 VanDerWaalsContact C-N 3.26Å; R631-K633 PolarHBondContact O-N 3Å; K633-E665 HydrophobicContact CB-CB 3.94Å; K633-E665 HydrophobicContact CB-CG 4Å; K633-E665 WeakPolarHBondContact CD-OE1 3.48Å; K633-E665 WeakPolarHBondContact CE-OE1 3.08Å; K633-E665 IonicContact NZ-OE1 3.39Å; K633-E665 PolarHBondContact NZ-OE1 2.89Å; K633-H668 PolarHBondContact O-CD2 3.07Å
634	N	81.6	Confident	87.5	Confident	63 Å²	63	39.7 Å²	39.7	34%	0.337	18%	0.183	S	C	.	.			trans	-132.8	123.2	175.7	-178.4	-3.2	0	0	0	110	L632 Q636 S637	L632-N634 PolarHBondContact O-N 3.44Å; N634-Q636 PolarHBondContact ND2-OE1 2.86Å; N634-Q636 PolarHBondContact O-N 2.93Å; N634-Q636 WeakPolarHBondContact OD1-CB 3.43Å; N634-Q636 PolarHBondContact OD1-N 3.37Å; N634-S637 VanDerWaalsContact O-CB 3.32Å; N634-S637 WeakPolarHBondContact O-CB 3.35Å; N634-S637 PolarHBondContact O-N 3.45Å; N634-S637 PolarHBondContact O-OG 3.2Å
635	K	83	Confident	87.1	Confident	96 Å²	96	43.9 Å²	43.9	42%	0.417	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.5	175.3	-177.4	176	-179.6	-178	0	113.2	S637 F640	K635-S637 VanDerWaalsContact C-N 3.26Å; K635-S637 PolarHBondContact O-N 3.17Å; K635-F640 HydrophobicContact CB-CD1 4.48Å; K635-F640 HydrophobicContact CB-CE1 4.32Å; K635-F640 HydrophobicContact CB-CZ 4.46Å; K635-F640 HydrophobicContact CG-CD1 4.26Å; K635-F640 HydrophobicContact CG-CE1 3.9Å; K635-F640 HydrophobicContact CG-CZ 4.35Å
636	Q	83.5	Confident	86.8	Confident	151 Å²	151	44.2 Å²	44.2	71%	0.706	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.7	176.2	-59.7	173.6	-43.6	0	0	113.4	N634 R638	N634-Q636 PolarHBondContact ND2-OE1 2.86Å; N634-Q636 PolarHBondContact O-N 2.93Å; N634-Q636 WeakPolarHBondContact OD1-CB 3.43Å; N634-Q636 PolarHBondContact OD1-N 3.37Å; Q636-R638 PolarHBondContact O-N 2.91Å
637	S	85.2	Confident	86.5	Confident	32 Å²	32	49.6 Å²	49.6	22%	0.224	23%	0.229	C	C	.	.	S	Bend	trans	-69.8	133.1	179.4	69.3	0	0	0	0	111	N634 K635 F639 F640 R641	N634-S637 VanDerWaalsContact O-CB 3.32Å; N634-S637 WeakPolarHBondContact O-CB 3.35Å; N634-S637 PolarHBondContact O-N 3.45Å; N634-S637 PolarHBondContact O-OG 3.2Å; K635-S637 VanDerWaalsContact C-N 3.26Å; K635-S637 PolarHBondContact O-N 3.17Å; S637-F639 PolarHBondContact O-N 3.08Å; S637-F639 VanDerWaalsContact O-N 3.1Å; S637-F640 WeakPolarHBondContact O-CA 3.46Å; S637-F640 VanDerWaalsContact O-CB 3.29Å; S637-F640 WeakPolarHBondContact O-CB 3.32Å; S637-F640 PolarHBondContact O-N 2.91Å; S637-F640 VanDerWaalsContact OG-CB 3.3Å; S637-F640 WeakPolarHBondContact OG-CB 3.25Å; S637-F640 PolarHBondContact OG-N 3.39Å; S637-R641 PolarHBondContact O-N 2.97Å
638	R	87.3	Confident	86.3	Confident	49 Å²	49	50.7 Å²	50.7	19%	0.185	24%	0.236	C	C	.	.	H	α-helix	trans	-45.9	-42.1	174.2	-71.9	-91.8	-164	49.6	75.5	113.5	Q636 R641 Y642 P1356 S1357 D1358	Q636-R638 PolarHBondContact O-N 2.91Å; R638-R641 PolarHBondContact O-N 3.01Å; R638-Y642 HydrophobicContact CB-CD2 4.4Å; R638-Y642 HydrophobicContact CB-CE2 4.26Å; R638-Y642 VanDerWaalsContact CD-OH 3.26Å; R638-Y642 WeakPolarHBondContact CD-OH 3.39Å; R638-Y642 PolarHBondContact NE-OH 3.27Å; R638-Y642 WeakPolarHBondContact O-CB 3.45Å; R638-Y642 VanDerWaalsContact O-CG 3.29Å; R638-Y642 PolarHBondContact O-N 2.94Å; R638-P1356 VanDerWaalsContact NH1-CA 3.3Å; R638-S1357 PolarHBondContact NH2-O 3.16Å; R638-D1358 WeakPolarHBondContact CD-OD1 3.44Å; R638-D1358 IonicContact CZ-OD1 2.76Å; R638-D1358 IonicContact NE-OD1 2.71Å; R638-D1358 PolarHBondContact NE-OD1 3.42Å; R638-D1358 IonicContact NH2-OD1 2.6Å
639	F	89.5	Confident	86.4	Confident	18 Å²	18	56 Å²	56	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-40.3	179.4	-176.4	-120	0	0	0	112	M548 H606 A609 V626 R631 L632 S637 T643	M548-F639 HydrophobicContact CB-CZ 4.31Å; M548-F639 HydrophobicContact SD-CE2 3.76Å; M548-F639 HydrophobicContact SD-CZ 4.05Å; H606-F639 HydrophobicContact CB-CD2 4.07Å; H606-F639 HydrophobicContact CB-CE1 4.44Å; H606-F639 HydrophobicContact CB-CE2 3.8Å; H606-F639 HydrophobicContact CB-CZ 4Å; H606-F639 AromaticContact CD2-CZ 3.54Å; H606-F639 AromaticContact CG-CZ 3.72Å; A609-F639 HydrophobicContact CB-CE2 4.47Å; V626-F639 HydrophobicContact CG1-CE1 3.91Å; V626-F639 HydrophobicContact CG1-CZ 3.91Å; R631-F639 HydrophobicContact CB-CD1 4.37Å; R631-F639 HydrophobicContact CB-CE1 4.49Å; L632-F639 HydrophobicContact CD2-CD1 3.52Å; L632-F639 HydrophobicContact CD2-CE1 3.72Å; L632-F639 HydrophobicContact CD2-CG 4.37Å; L632-F639 HydrophobicContact CG-CD1 4.01Å; L632-F639 HydrophobicContact CG-CE1 3.89Å; S637-F639 PolarHBondContact O-N 3.08Å; S637-F639 VanDerWaalsContact O-N 3.1Å; F639-T643 WeakPolarHBondContact CE2-OG1 3.49Å; F639-T643 VanDerWaalsContact O-CB 3.23Å; F639-T643 WeakPolarHBondContact O-CB 3.46Å; F639-T643 PolarHBondContact O-N 3.25Å; F639-T643 VanDerWaalsContact O-N 3.13Å; F639-T643 PolarHBondContact O-OG1 3.01Å
640	F	90.5	Very high	86.5	Confident	10 Å²	10	56 Å²	56	4%	0.044	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-51.3	170.8	-172	-76	0	0	0	111.3	L632 K635 S637 S644 H668 N671 F672	L632-F640 HydrophobicContact CB-CD2 4.32Å; L632-F640 HydrophobicContact CD2-CB 4.1Å; L632-F640 HydrophobicContact CD2-CD2 4.22Å; L632-F640 WeakPolarHBondContact O-CD2 3.4Å; K635-F640 HydrophobicContact CB-CD1 4.48Å; K635-F640 HydrophobicContact CB-CE1 4.32Å; K635-F640 HydrophobicContact CB-CZ 4.46Å; K635-F640 HydrophobicContact CG-CD1 4.26Å; K635-F640 HydrophobicContact CG-CE1 3.9Å; K635-F640 HydrophobicContact CG-CZ 4.35Å; S637-F640 WeakPolarHBondContact O-CA 3.46Å; S637-F640 VanDerWaalsContact O-CB 3.29Å; S637-F640 WeakPolarHBondContact O-CB 3.32Å; S637-F640 PolarHBondContact O-N 2.91Å; S637-F640 VanDerWaalsContact OG-CB 3.3Å; S637-F640 WeakPolarHBondContact OG-CB 3.25Å; S637-F640 PolarHBondContact OG-N 3.39Å; F640-S644 VanDerWaalsContact O-CB 3.23Å; F640-S644 WeakPolarHBondContact O-CB 3.5Å; F640-S644 PolarHBondContact O-N 3.23Å; F640-S644 PolarHBondContact O-OG 2.95Å; F640-H668 HydrophobicContact CE2-CB 4.38Å; F640-H668 WeakPolarHBondContact CE2-O 3.19Å; F640-N671 HydrophobicContact CZ-CB 4.48Å; F640-F672 HydrophobicContact CD2-CB 4.4Å; F640-F672 HydrophobicContact CD2-CD2 4.18Å; F640-F672 HydrophobicContact CE2-CB 3.7Å; F640-F672 HydrophobicContact CE2-CD2 4.14Å; F640-F672 HydrophobicContact CE2-CG 4.39Å; F640-F672 HydrophobicContact CG-CD2 4.49Å; F640-F672 HydrophobicContact CZ-CB 4.05Å; F640-F672 HydrophobicContact CZ-CD2 4.38Å
641	R	88.3	Confident	87.1	Confident	76 Å²	76	55.7 Å²	55.7	29%	0.287	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-49.7	-175.9	-62.7	-179.5	72.4	160.9	8.4	112.2	S637 R638 S644 Q645 D1358 E1359	S637-R641 PolarHBondContact O-N 2.97Å; R638-R641 PolarHBondContact O-N 3.01Å; R641-S644 PolarHBondContact O-N 3.01Å; R641-Q645 WeakPolarHBondContact O-CG 3.34Å; R641-D1358 IonicContact CZ-OD2 3.63Å; R641-D1358 IonicContact NE-OD2 3.19Å; R641-D1358 IonicContact NH1-OD2 2.64Å; R641-D1358 PolarHBondContact NH1-OD2 3.22Å; R641-E1359 IonicContact CZ-OE1 2.84Å; R641-E1359 IonicContact CZ-OE2 3.83Å; R641-E1359 IonicContact NH1-OE1 2.83Å; R641-E1359 PolarHBondContact NH1-OE1 3Å; R641-E1359 IonicContact NH1-OE2 3.97Å; R641-E1359 PolarHBondContact NH1-OE2 2.93Å; R641-E1359 IonicContact NH2-OE1 3.87Å; R641-E1359 PolarHBondContact NH2-OE1 3.06Å; R641-E1359 IonicContact NH2-OE2 3.42Å; R641-E1359 PolarHBondContact NH2-OE2 3.45Å
642	Y	89.6	Confident	87.7	Confident	15 Å²	15	50 Å²	50	6%	0.059	24%	0.235	C	C	.	.	H	α-helix	trans	-74.9	-42.1	-174.3	-62.7	-13.7	0	0	0	112.2	C610 R613 R638 S644 Q645 Y646	C610-Y642 HydrophobicContact CB-CD2 4.01Å; R613-Y642 PolarHBondContact NH1-OH 3.03Å; R613-Y642 VanDerWaalsContact NH1-OH 3.13Å; R638-Y642 HydrophobicContact CB-CD2 4.4Å; R638-Y642 HydrophobicContact CB-CE2 4.26Å; R638-Y642 VanDerWaalsContact CD-OH 3.26Å; R638-Y642 WeakPolarHBondContact CD-OH 3.39Å; R638-Y642 PolarHBondContact NE-OH 3.27Å; R638-Y642 WeakPolarHBondContact O-CB 3.45Å; R638-Y642 VanDerWaalsContact O-CG 3.29Å; R638-Y642 PolarHBondContact O-N 2.94Å; Y642-S644 PolarHBondContact O-N 3.41Å; Y642-Q645 WeakPolarHBondContact O-CB 3.26Å; Y642-Q645 PolarHBondContact O-N 2.93Å; Y642-Y646 VanDerWaalsContact O-CD1 3.22Å; Y642-Y646 WeakPolarHBondContact O-CD1 3.42Å
643	T	88.5	Confident	88.1	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-24.6	176	-50.2	0	0	0	0	111.8	M548 L624 F639 Q645 Y646 F672	M548-T643 HydrophobicContact CE-CG2 3.8Å; M548-T643 HydrophobicContact SD-CG2 3.59Å; M548-T643 VanDerWaalsContact SD-CG2 3.59Å; L624-T643 HydrophobicContact CD1-CG2 4.21Å; L624-T643 HydrophobicContact CD2-CG2 3.63Å; F639-T643 WeakPolarHBondContact CE2-OG1 3.49Å; F639-T643 VanDerWaalsContact O-CB 3.23Å; F639-T643 WeakPolarHBondContact O-CB 3.46Å; F639-T643 PolarHBondContact O-N 3.25Å; F639-T643 VanDerWaalsContact O-N 3.13Å; F639-T643 PolarHBondContact O-OG1 3.01Å; T643-Q645 PolarHBondContact O-N 2.95Å; T643-Y646 PolarHBondContact O-N 3.33Å; T643-F672 HydrophobicContact CG2-CE2 4.24Å; T643-F672 HydrophobicContact CG2-CZ 3.74Å
644	S	87.3	Confident	88.6	Confident	53 Å²	53	46 Å²	46	37%	0.371	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.5	170.8	-62.6	0	0	0	0	114.1	F640 R641 Y642 F672	F640-S644 VanDerWaalsContact O-CB 3.23Å; F640-S644 WeakPolarHBondContact O-CB 3.5Å; F640-S644 PolarHBondContact O-N 3.23Å; F640-S644 PolarHBondContact O-OG 2.95Å; R641-S644 PolarHBondContact O-N 3.01Å; Y642-S644 PolarHBondContact O-N 3.41Å; S644-F672 WeakPolarHBondContact OG-CD2 3.33Å; S644-F672 WeakPolarHBondContact OG-CE2 3.45Å
645	Q	86.3	Confident	88.9	Confident	89 Å²	89	43 Å²	43	42%	0.416	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.9	177.5	-64.5	175.2	10.5	0	0	113.8	R641 Y642 T643	R641-Q645 WeakPolarHBondContact O-CG 3.34Å; Y642-Q645 WeakPolarHBondContact O-CB 3.26Å; Y642-Q645 PolarHBondContact O-N 2.93Å; T643-Q645 PolarHBondContact O-N 2.95Å
646	Y	88.8	Confident	88.7	Confident	8 Å²	8	38.6 Å²	38.6	3%	0.031	18%	0.184	C	C	.	.	S	Bend	trans	-83.9	126.5	-178.2	-77.3	38	0	0	0	110.5	I546 M548 A609 L616 W621 Y642 T643 T648	I546-Y646 HydrophobicContact CD1-CD2 4.48Å; I546-Y646 HydrophobicContact CD1-CE2 4Å; M548-Y646 HydrophobicContact CE-CD2 3.88Å; M548-Y646 HydrophobicContact CE-CE2 3.41Å; M548-Y646 VanDerWaalsContact CE-CE2 3.41Å; A609-Y646 PolarHBondContact O-OH 3.37Å; L616-Y646 HydrophobicContact CB-CE2 3.86Å; L616-Y646 WeakPolarHBondContact CB-OH 3.42Å; W621-Y646 AromaticContact CD1-CD2 3.99Å; W621-Y646 AromaticContact NE1-CD2 3.88Å; Y642-Y646 VanDerWaalsContact O-CD1 3.22Å; Y642-Y646 WeakPolarHBondContact O-CD1 3.42Å; T643-Y646 PolarHBondContact O-N 3.33Å; Y646-T648 PolarHBondContact O-N 3.34Å; Y646-T648 VanDerWaalsContact O-N 3.12Å; Y646-T648 PolarHBondContact O-OG1 3.04Å
647	H	87	Confident	88.4	Confident	112 Å²	112	32.1 Å²	32.1	52%	0.519	16%	0.155	S	C	.	.			trans	-65.2	113.2	174	-60.6	-50.9	0	0	0	109.7	W621	W621-H647 PolarHBondContact N-O 3.25Å; W621-H647 VanDerWaalsContact N-O 3.08Å
648	T	88.6	Confident	87.8	Confident	37 Å²	37	30.9 Å²	30.9	23%	0.227	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	128.8	-168.3	40.8	0	0	0	0	110	W621 L624 Y646	W621-T648 HydrophobicContact CB-CG2 3.97Å; W621-T648 WeakPolarHBondContact O-CA 3.49Å; L624-T648 HydrophobicContact CB-CG2 3.58Å; L624-T648 HydrophobicContact CD2-CG2 4.09Å; L624-T648 HydrophobicContact CG-CG2 4.44Å; Y646-T648 PolarHBondContact O-N 3.34Å; Y646-T648 VanDerWaalsContact O-N 3.12Å; Y646-T648 PolarHBondContact O-OG1 3.04Å
649	K	87.6	Confident	87.2	Confident	132 Å²	132	28.6 Å²	28.6	57%	0.574	14%	0.138	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	-37.7	179.1	-51.2	174.9	-160.1	148.4	0	112.3	W621 S622	W621-K649 PolarHBondContact O-N 2.55Å; S622-K649 WeakPolarHBondContact O-CB 3.35Å; S622-K649 PolarHBondContact O-N 3.06Å; S622-K649 PolarHBondContact OG-NZ 2.66Å
650	F	91.7	Very high	86	Confident	3 Å²	3	28.2 Å²	28.2	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.7	-179.6	-172.5	-120.7	0	0	0	110.9	A507 Y508 I512 N513 A514 L531 S622 V623 L624 I652	A507-F650 HydrophobicContact CB-CE2 4.3Å; A507-F650 HydrophobicContact CB-CZ 4.06Å; Y508-F650 VanDerWaalsContact CA-CE2 3.49Å; Y508-F650 HydrophobicContact CD2-CB 3.96Å; Y508-F650 AromaticContact CD2-CD1 3.68Å; Y508-F650 HydrophobicContact CD2-CD1 3.68Å; Y508-F650 HydrophobicContact CD2-CD2 4.27Å; Y508-F650 HydrophobicContact CD2-CE1 4.14Å; Y508-F650 AromaticContact CD2-CG 3.74Å; Y508-F650 HydrophobicContact CD2-CG 3.74Å; Y508-F650 HydrophobicContact CE2-CB 4.25Å; I512-F650 VanDerWaalsContact O-CE2 3.29Å; I512-F650 WeakPolarHBondContact O-CE2 3.24Å; N513-F650 WeakPolarHBondContact OD1-CA 3.44Å; A514-F650 HydrophobicContact CB-CZ 4.43Å; L531-F650 HydrophobicContact CD2-CE1 4.4Å; S622-F650 PolarHBondContact O-N 2.65Å; V623-F650 WeakPolarHBondContact CA-O 3.23Å; V623-F650 HydrophobicContact CG1-CD1 3.97Å; V623-F650 HydrophobicContact CG2-CB 4.32Å; V623-F650 HydrophobicContact CG2-CD1 4.22Å; L624-F650 PolarHBondContact N-O 3.22Å; F650-I652 HydrophobicContact CD1-CD1 4.13Å; F650-I652 HydrophobicContact CD1-CG1 3.8Å; F650-I652 HydrophobicContact CE1-CD1 3.68Å; F650-I652 HydrophobicContact CE1-CG1 3.47Å; F650-I652 VanDerWaalsContact CE1-CG1 3.47Å; F650-I652 HydrophobicContact CZ-CG1 4.31Å
651	K	94.1	Very high	84.9	Confident	19 Å²	19	29.7 Å²	29.7	8%	0.083	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.8	177.8	-58.1	-173.3	179.5	-171.9	0	110.9	N513 A514 L624 F672	N513-K651 HydrophobicContact CB-CB 4.12Å; N513-K651 PolarHBondContact OD1-N 3.15Å; A514-K651 PolarHBondContact N-O 2.81Å; L624-K651 HydrophobicContact CD2-CG 4.39Å; L624-K651 CarbonylContact O-C 3.54Å; L624-K651 WeakPolarHBondContact O-CA 3.49Å; K651-F672 HydrophobicContact CD-CD1 4.2Å; K651-F672 HydrophobicContact CD-CE1 3.85Å; K651-F672 HydrophobicContact CD-CZ 4.48Å; K651-F672 PolarHBondContact NZ-O 3.01Å
652	I	94.9	Very high	84.1	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.9	172.1	-44.9	179.4	0	0	0	109	L504 A514 L531 V623 L624 V625 V626 F650 L654	L504-I652 HydrophobicContact CD2-CG2 4.03Å; A514-I652 CarbonylContact O-C 3.19Å; A514-I652 WeakPolarHBondContact O-CA 3.13Å; L531-I652 HydrophobicContact CD2-CD1 3.55Å; V623-I652 HydrophobicContact CG1-CD1 3.98Å; V623-I652 HydrophobicContact CG1-CG1 4.13Å; L624-I652 PolarHBondContact O-N 3.23Å; V625-I652 CarbonylContact C-O 3.5Å; V625-I652 WeakPolarHBondContact CA-O 3.46Å; V625-I652 HydrophobicContact CG2-CB 4.42Å; V625-I652 HydrophobicContact CG2-CD1 4.25Å; V626-I652 PolarHBondContact N-O 3.33Å; F650-I652 HydrophobicContact CD1-CD1 4.13Å; F650-I652 HydrophobicContact CD1-CG1 3.8Å; F650-I652 HydrophobicContact CE1-CD1 3.68Å; F650-I652 HydrophobicContact CE1-CG1 3.47Å; F650-I652 VanDerWaalsContact CE1-CG1 3.47Å; F650-I652 HydrophobicContact CZ-CG1 4.31Å; I652-L654 HydrophobicContact CG2-CD2 3.68Å
653	L	94.3	Very high	83.3	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.9	170.6	-60.6	-170.7	0	0	0	109.9	A514 I515 L516 V626 A629 L632 L669 F672 V673	A514-L653 PolarHBondContact O-N 3.44Å; I515-L653 CarbonylContact C-O 3.29Å; I515-L653 WeakPolarHBondContact CA-O 3.37Å; I515-L653 HydrophobicContact CG1-CB 4.27Å; I515-L653 HydrophobicContact CG1-CD1 4.39Å; I515-L653 HydrophobicContact CG2-CB 4.27Å; L516-L653 PolarHBondContact N-O 3.07Å; V626-L653 HydrophobicContact CB-CD2 3.8Å; V626-L653 HydrophobicContact CG2-CD2 4.02Å; A629-L653 HydrophobicContact CB-CB 3.76Å; A629-L653 HydrophobicContact CB-CD1 4.39Å; A629-L653 HydrophobicContact CB-CD2 4.04Å; A629-L653 HydrophobicContact CB-CG 4.28Å; L632-L653 HydrophobicContact CD1-CD1 4.47Å; L632-L653 HydrophobicContact CD1-CD2 3.76Å; L653-L669 HydrophobicContact CD1-CB 4.43Å; L653-L669 HydrophobicContact CD1-CD2 4.26Å; L653-F672 HydrophobicContact CD1-CD1 4.26Å; L653-F672 HydrophobicContact CD2-CD1 3.9Å; L653-F672 HydrophobicContact CD2-CE1 3.89Å; L653-V673 HydrophobicContact CD1-CG2 3.6Å; L653-V673 HydrophobicContact CG-CG2 4.03Å
654	L	92.9	Very high	82.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131	174.9	-41.9	178.8	0	0	0	109.3	L516 K524 V528 W557 V625 V626 D627 E628 A629 I652	L516-L654 HydrophobicContact CB-CD2 3.85Å; L516-L654 HydrophobicContact CD2-CD2 4.31Å; K524-L654 HydrophobicContact CD-CB 4.38Å; V528-L654 HydrophobicContact CG2-CD1 3.98Å; V528-L654 HydrophobicContact CG2-CD2 3.65Å; V528-L654 HydrophobicContact CG2-CG 4.44Å; W557-L654 HydrophobicContact CH2-CD1 3.78Å; W557-L654 HydrophobicContact CZ2-CD1 3.68Å; V625-L654 HydrophobicContact CG1-CD1 3.85Å; V625-L654 HydrophobicContact CG1-CG 4.08Å; V626-L654 PolarHBondContact O-N 3.1Å; D627-L654 HydrophobicContact CB-CD1 4.36Å; E628-L654 PolarHBondContact N-O 3.04Å; A629-L654 WeakPolarHBondContact CB-O 3.09Å; A629-L654 PolarHBondContact N-O 2.94Å; I652-L654 HydrophobicContact CG2-CD2 3.68Å
655	T	87.7	Confident	82.4	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.			trans	-151.1	149.8	176.7	-176.9	0	0	0	0	110.9	I515 L516 A517 K524 T657 P658	I515-T655 HydrophobicContact CG2-CG2 4.31Å; L516-T655 PolarHBondContact O-N 2.98Å; L516-T655 VanDerWaalsContact O-N 3.15Å; A517-T655 CarbonylContact C-O 3.47Å; A517-T655 WeakPolarHBondContact CA-O 3.38Å; A517-T655 HydrophobicContact CB-CG2 4.28Å; K524-T655 VanDerWaalsContact CE-O 3.25Å; K524-T655 WeakPolarHBondContact CE-O 3.28Å; K524-T655 VanDerWaalsContact NZ-C 3.28Å; K524-T655 PolarHBondContact NZ-O 3.36Å; T655-T657 VanDerWaalsContact C-N 3.34Å; T655-T657 PolarHBondContact OG1-N 2.81Å; T655-T657 PolarHBondContact OG1-O 3.08Å; T655-P658 HydrophobicContact CG2-CB 4.04Å
656	G	79.8	Confident	82	Confident	4 Å²	4	26 Å²	26	4%	0.041	13%	0.129	C	C	.	.	S	Bend	trans	-81.8	-18	163.6	0	0	0	0	0	113.4	R710	G656-R710 PolarHBondContact O-NH1 3.19Å
657	T	77	Confident	81.7	Confident	16 Å²	16	25.9 Å²	25.9	10%	0.098	13%	0.129	C	C	.	.			trans	-147.2	90.1	-162.2	48.4	0	0	0	0	108.9	T655 L659 Q660 Q904	T655-T657 VanDerWaalsContact C-N 3.34Å; T655-T657 PolarHBondContact OG1-N 2.81Å; T655-T657 PolarHBondContact OG1-O 3.08Å; T657-L659 VanDerWaalsContact C-N 3.3Å; T657-L659 PolarHBondContact O-N 3.17Å; T657-Q660 PolarHBondContact OG1-NE2 3.01Å; T657-Q904 HydrophobicContact CG2-CB 4.2Å; T657-Q904 HydrophobicContact CG2-CG 4.44Å; T657-Q904 VanDerWaalsContact CG2-OE1 3.29Å
658	P	71.8	Confident	81.6	Confident	5 Å²	5	22.1 Å²	22.1	3%	0.032	11%	0.112	C	C	.	.	S	Bend	trans	-74.3	-19	-176.2	29.6	-35.4	0	0	0	113.8	A517 T655 L669 L708 V952	A517-P658 HydrophobicContact CB-CB 4.31Å; A517-P658 HydrophobicContact CB-CG 4.14Å; T655-P658 HydrophobicContact CG2-CB 4.04Å; P658-L669 WeakPolarHBondContact O-CD1 3.24Å; P658-L708 HydrophobicContact CB-CD1 3.95Å; P658-L708 HydrophobicContact CG-CD1 4.31Å; P658-V952 HydrophobicContact CG-CG1 4.16Å; P658-V952 HydrophobicContact CG-CG2 3.93Å
659	L	73.9	Confident	81.5	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.102	C	C	.	.			trans	-130.4	134	176.1	-173.1	84.8	0	0	0	107.5	T657 S662 L663 L666 Q904 L947 I951	T657-L659 VanDerWaalsContact C-N 3.3Å; T657-L659 PolarHBondContact O-N 3.17Å; L659-S662 WeakPolarHBondContact CD1-O 3.32Å; L659-L663 HydrophobicContact CD1-CD2 4.35Å; L659-L666 HydrophobicContact CD1-CB 3.74Å; L659-L666 HydrophobicContact CD1-CD2 4.28Å; L659-Q904 PolarHBondContact O-NE2 2.86Å; L659-Q904 PolarHBondContact O-OE1 3.45Å; L659-L947 HydrophobicContact CD2-CD2 3.85Å; L659-I951 HydrophobicContact CD2-CB 4.19Å; L659-I951 HydrophobicContact CD2-CD1 3.6Å; L659-I951 HydrophobicContact CD2-CG1 4.49Å; L659-I951 HydrophobicContact CD2-CG2 4.16Å
660	Q	64.9	Low	81.3	Confident	10 Å²	10	14.6 Å²	14.6	5%	0.047	8%	0.076	C	C	.	.	S	Bend	trans	-117.2	-44.8	-178.9	-72.3	-115.1	-19.5	0	0	113.9	T657 E665 N902 Q904	T657-Q660 PolarHBondContact OG1-NE2 3.01Å; Q660-E665 WeakPolarHBondContact CA-OE2 3.37Å; Q660-E665 WeakPolarHBondContact CB-OE2 3.27Å; Q660-E665 PolarHBondContact N-OE2 3.19Å; Q660-N902 PolarHBondContact OE1-ND2 2.91Å; Q660-Q904 VanDerWaalsContact NE2-OE1 3.13Å
661	N	67	Low	81.1	Confident	42 Å²	42	15.1 Å²	15.1	23%	0.225	8%	0.079	C	C	.	.	S	Bend	trans	-140.6	-37.2	-177.4	-63.5	-95.7	0	0	0	113.7	E665 K944	N661-E665 PolarHBondContact N-OE2 3.48Å; N661-K944 PolarHBondContact OD1-NZ 3.26Å
662	S	71.7	Confident	80.8	Confident	22 Å²	22	14.3 Å²	14.3	15%	0.154	8%	0.075	C	C	.	.			trans	-141.9	155.3	-178.1	74.6	0	0	0	0	113.4	L659 E664 E665	L659-S662 WeakPolarHBondContact CD1-O 3.32Å; S662-E664 WeakPolarHBondContact CB-OE2 3.32Å; S662-E664 PolarHBondContact O-N 2.85Å; S662-E664 PolarHBondContact OG-OE2 3.01Å; S662-E665 PolarHBondContact N-OE2 3.26Å; S662-E665 WeakPolarHBondContact O-CB 3.47Å; S662-E665 PolarHBondContact O-N 2.75Å; S662-E665 VanDerWaalsContact O-N 3.14Å
663	L	74	Confident	80.3	Confident	58 Å²	58	14.2 Å²	14.2	30%	0.304	8%	0.075	S	C	.	.	H	α-helix	trans	-62.1	-22.8	176	-75.9	166.7	0	0	0	113.1	L659 E665 L666 F667 W688 L700 I951	L659-L663 HydrophobicContact CD1-CD2 4.35Å; L663-E665 VanDerWaalsContact C-N 3.3Å; L663-E665 PolarHBondContact O-N 3.03Å; L663-L666 PolarHBondContact O-N 2.83Å; L663-F667 PolarHBondContact O-N 2.88Å; L663-W688 HydrophobicContact CB-CZ3 4.2Å; L663-W688 HydrophobicContact CD1-CE3 4.49Å; L663-W688 HydrophobicContact CD1-CZ3 4.22Å; L663-L700 HydrophobicContact CD2-CD2 3.67Å; L663-I951 HydrophobicContact CD2-CD1 3.89Å; L663-I951 HydrophobicContact CD2-CG2 4.48Å; L663-I951 HydrophobicContact CG-CD1 4.41Å
664	E	77.5	Confident	79.9	Confident	56 Å²	56	16.6 Å²	16.6	26%	0.262	9%	0.086	S	C	.	.	H	α-helix	trans	-60.3	-40.2	173.5	-57.4	155.9	139.8	0	0	111.1	S662 L666 F667 H668 F681	S662-E664 WeakPolarHBondContact CB-OE2 3.32Å; S662-E664 PolarHBondContact O-N 2.85Å; S662-E664 PolarHBondContact OG-OE2 3.01Å; E664-L666 VanDerWaalsContact C-N 3.32Å; E664-L666 PolarHBondContact O-N 3.09Å; E664-F667 PolarHBondContact O-N 3.4Å; E664-H668 PolarHBondContact O-CD2 2.72Å; E664-H668 VanDerWaalsContact O-CG 3.31Å; E664-H668 PolarHBondContact O-N 3.31Å; E664-F681 HydrophobicContact CB-CZ 4.45Å; E664-F681 HydrophobicContact CG-CD1 4.14Å; E664-F681 HydrophobicContact CG-CE1 3.58Å; E664-F681 HydrophobicContact CG-CE2 4.1Å; E664-F681 HydrophobicContact CG-CZ 3.55Å
665	E	78	Confident	79.4	Confident	14 Å²	14	20 Å²	20	7%	0.065	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-42.3	179	-61.2	179	140.5	0	0	111.1	K633 Q660 N661 S662 L663 H668 L669	K633-E665 HydrophobicContact CB-CB 3.94Å; K633-E665 HydrophobicContact CB-CG 4Å; K633-E665 WeakPolarHBondContact CD-OE1 3.48Å; K633-E665 WeakPolarHBondContact CE-OE1 3.08Å; K633-E665 IonicContact NZ-OE1 3.39Å; K633-E665 PolarHBondContact NZ-OE1 2.89Å; Q660-E665 WeakPolarHBondContact CA-OE2 3.37Å; Q660-E665 WeakPolarHBondContact CB-OE2 3.27Å; Q660-E665 PolarHBondContact N-OE2 3.19Å; N661-E665 PolarHBondContact N-OE2 3.48Å; S662-E665 PolarHBondContact N-OE2 3.26Å; S662-E665 WeakPolarHBondContact O-CB 3.47Å; S662-E665 PolarHBondContact O-N 2.75Å; S662-E665 VanDerWaalsContact O-N 3.14Å; L663-E665 VanDerWaalsContact C-N 3.3Å; L663-E665 PolarHBondContact O-N 3.03Å; E665-H668 PolarHBondContact O-N 2.7Å; E665-L669 WeakPolarHBondContact O-CG 3.35Å; E665-L669 PolarHBondContact O-N 2.85Å; E665-L669 VanDerWaalsContact O-N 3.13Å
666	L	79	Confident	79.1	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-69.6	-40.5	176.9	179.8	62.2	0	0	0	111.9	L659 L663 E664 H668 L669 L670 L700 L704 I951	L659-L666 HydrophobicContact CD1-CB 3.74Å; L659-L666 HydrophobicContact CD1-CD2 4.28Å; L663-L666 PolarHBondContact O-N 2.83Å; E664-L666 VanDerWaalsContact C-N 3.32Å; E664-L666 PolarHBondContact O-N 3.09Å; L666-H668 VanDerWaalsContact C-N 3.3Å; L666-H668 PolarHBondContact O-N 2.83Å; L666-L669 PolarHBondContact O-N 3.31Å; L666-L670 WeakPolarHBondContact O-CG 3.41Å; L666-L670 PolarHBondContact O-N 2.95Å; L666-L700 HydrophobicContact CD2-CD1 4.22Å; L666-L700 HydrophobicContact CD2-CD2 4.36Å; L666-L704 HydrophobicContact CD1-CD2 4.08Å; L666-L704 HydrophobicContact CD2-CD1 4.19Å; L666-L704 HydrophobicContact CD2-CD2 4.28Å; L666-L704 HydrophobicContact CG-CD2 4.4Å; L666-I951 HydrophobicContact CD2-CG2 4.37Å
667	F	81.4	Confident	78.9	Confident	7 Å²	7	34.6 Å²	34.6	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-40.2	172.6	174.9	-93.4	0	0	0	111.8	L663 E664 L670 N671 F678 F681 L684	L663-F667 PolarHBondContact O-N 2.88Å; E664-F667 PolarHBondContact O-N 3.4Å; F667-L670 PolarHBondContact O-N 3.44Å; F667-N671 HydrophobicContact CE1-CB 4.43Å; F667-N671 WeakPolarHBondContact O-CB 3.29Å; F667-N671 PolarHBondContact O-N 2.91Å; F667-F678 HydrophobicContact CD2-CB 4.47Å; F667-F678 HydrophobicContact CE2-CB 3.77Å; F667-F678 HydrophobicContact CE2-CD1 4.2Å; F667-F678 HydrophobicContact CE2-CG 4.46Å; F667-F678 HydrophobicContact CZ-CB 4.09Å; F667-F678 VanDerWaalsContact CZ-O 3.29Å; F667-F678 WeakPolarHBondContact CZ-O 3.21Å; F667-F681 HydrophobicContact CB-CD2 3.74Å; F667-F681 HydrophobicContact CB-CE2 4.2Å; F667-F681 HydrophobicContact CD1-CB 3.76Å; F667-F681 AromaticContact CD1-CD2 3.91Å; F667-F681 HydrophobicContact CD1-CD2 3.91Å; F667-F681 HydrophobicContact CD1-CG 4.27Å; F667-F681 HydrophobicContact CD2-CD2 4.16Å; F667-F681 HydrophobicContact CE1-CB 3.77Å; F667-F681 HydrophobicContact CG-CB 4.29Å; F667-F681 AromaticContact CG-CD2 3.65Å; F667-F681 HydrophobicContact CG-CD2 3.65Å; F667-F681 HydrophobicContact CG-CG 4.44Å; F667-F681 HydrophobicContact CZ-CB 4.28Å; F667-L684 HydrophobicContact CD2-CD1 4.06Å; F667-L684 HydrophobicContact CE2-CD1 3.76Å
668	H	85.2	Confident	78.8	Confident	33 Å²	33	34.4 Å²	34.4	15%	0.153	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-40.7	175.4	-69.4	-36.9	0	0	0	112.2	K633 F640 E664 E665 L666 L670 N671 F672	K633-H668 PolarHBondContact O-CD2 3.07Å; F640-H668 HydrophobicContact CE2-CB 4.38Å; F640-H668 WeakPolarHBondContact CE2-O 3.19Å; E664-H668 PolarHBondContact O-CD2 2.72Å; E664-H668 VanDerWaalsContact O-CG 3.31Å; E664-H668 PolarHBondContact O-N 3.31Å; E665-H668 PolarHBondContact O-N 2.7Å; L666-H668 VanDerWaalsContact C-N 3.3Å; L666-H668 PolarHBondContact O-N 2.83Å; H668-L670 VanDerWaalsContact C-N 3.32Å; H668-L670 PolarHBondContact O-N 3.15Å; H668-N671 PolarHBondContact O-N 2.82Å; H668-F672 PolarHBondContact O-N 2.81Å
669	L	86.1	Confident	78.8	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-42.1	171.8	-63.3	179.3	0	0	0	112.1	A629 L632 L653 P658 E665 L666 F672 V673	A629-L669 WeakPolarHBondContact O-CD2 3.38Å; L632-L669 HydrophobicContact CB-CD2 3.74Å; L653-L669 HydrophobicContact CD1-CB 4.43Å; L653-L669 HydrophobicContact CD1-CD2 4.26Å; P658-L669 WeakPolarHBondContact O-CD1 3.24Å; E665-L669 WeakPolarHBondContact O-CG 3.35Å; E665-L669 PolarHBondContact O-N 2.85Å; E665-L669 VanDerWaalsContact O-N 3.13Å; L666-L669 PolarHBondContact O-N 3.31Å; L669-F672 PolarHBondContact O-N 2.76Å; L669-V673 WeakPolarHBondContact O-CG2 3.27Å; L669-V673 PolarHBondContact O-N 3.13Å; L669-V673 VanDerWaalsContact O-N 3.1Å
670	L	84.4	Confident	78.6	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-38.7	176.8	-69.7	172.5	0	0	0	112.9	I515 L666 F667 H668 V673 E674 F678 L704	I515-L670 HydrophobicContact CD1-CD2 4.28Å; L666-L670 WeakPolarHBondContact O-CG 3.41Å; L666-L670 PolarHBondContact O-N 2.95Å; F667-L670 PolarHBondContact O-N 3.44Å; H668-L670 VanDerWaalsContact C-N 3.32Å; H668-L670 PolarHBondContact O-N 3.15Å; L670-V673 PolarHBondContact O-N 3.33Å; L670-E674 PolarHBondContact O-N 2.86Å; L670-F678 HydrophobicContact CB-CD1 4.42Å; L670-F678 HydrophobicContact CB-CD2 3.82Å; L670-F678 HydrophobicContact CB-CE2 4.02Å; L670-F678 HydrophobicContact CB-CG 4.03Å; L670-F678 HydrophobicContact CB-CZ 4.41Å; L670-F678 HydrophobicContact CD1-CE1 4.34Å; L670-F678 HydrophobicContact CD1-CZ 4.32Å; L670-F678 HydrophobicContact CD2-CE2 4.41Å; L670-L704 HydrophobicContact CD1-CD2 4.03Å; L670-L704 HydrophobicContact CD2-CD2 4.16Å; L670-L704 HydrophobicContact CG-CD2 4.47Å
671	N	87	Confident	79.1	Confident	13 Å²	13	43.9 Å²	43.9	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-42	172.3	-177.8	-51.5	0	0	0	111.3	F640 F667 H668 V673 E674 P675 F678 T679	F640-N671 HydrophobicContact CZ-CB 4.48Å; F667-N671 HydrophobicContact CE1-CB 4.43Å; F667-N671 WeakPolarHBondContact O-CB 3.29Å; F667-N671 PolarHBondContact O-N 2.91Å; H668-N671 PolarHBondContact O-N 2.82Å; N671-V673 VanDerWaalsContact C-N 3.32Å; N671-V673 PolarHBondContact O-N 3.4Å; N671-E674 CarbonylContact O-C 3.36Å; N671-P675 WeakPolarHBondContact O-CA 3.39Å; N671-P675 VanDerWaalsContact O-CB 3.31Å; N671-P675 WeakPolarHBondContact O-CB 3.31Å; N671-P675 WeakPolarHBondContact O-CD 3.47Å; N671-F678 HydrophobicContact CB-CB 4.31Å; N671-F678 WeakPolarHBondContact CB-O 3.45Å; N671-F678 VanDerWaalsContact CG-O 3.24Å; N671-F678 PolarHBondContact ND2-O 2.82Å; N671-T679 PolarHBondContact ND2-O 3.16Å
672	F	87.5	Confident	79.4	Confident	2 Å²	2	51 Å²	51	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-37.6	175.2	-172.6	-93.4	0	0	0	113.1	L624 L632 F640 T643 S644 K651 L653 H668 L669	L624-F672 HydrophobicContact CD2-CE1 4.29Å; L624-F672 HydrophobicContact CD2-CZ 4.05Å; L632-F672 HydrophobicContact CD1-CD1 3.87Å; L632-F672 HydrophobicContact CD1-CD2 4.31Å; L632-F672 HydrophobicContact CD1-CE1 3.93Å; L632-F672 HydrophobicContact CD1-CE2 4.37Å; L632-F672 HydrophobicContact CD1-CG 4.06Å; L632-F672 HydrophobicContact CD1-CZ 4.18Å; L632-F672 HydrophobicContact CD2-CD2 4.18Å; L632-F672 HydrophobicContact CD2-CE2 4.12Å; F640-F672 HydrophobicContact CD2-CB 4.4Å; F640-F672 HydrophobicContact CD2-CD2 4.18Å; F640-F672 HydrophobicContact CE2-CB 3.7Å; F640-F672 HydrophobicContact CE2-CD2 4.14Å; F640-F672 HydrophobicContact CE2-CG 4.39Å; F640-F672 HydrophobicContact CG-CD2 4.49Å; F640-F672 HydrophobicContact CZ-CB 4.05Å; F640-F672 HydrophobicContact CZ-CD2 4.38Å; T643-F672 HydrophobicContact CG2-CE2 4.24Å; T643-F672 HydrophobicContact CG2-CZ 3.74Å; S644-F672 WeakPolarHBondContact OG-CD2 3.33Å; S644-F672 WeakPolarHBondContact OG-CE2 3.45Å; K651-F672 HydrophobicContact CD-CD1 4.2Å; K651-F672 HydrophobicContact CD-CE1 3.85Å; K651-F672 HydrophobicContact CD-CZ 4.48Å; K651-F672 PolarHBondContact NZ-O 3.01Å; L653-F672 HydrophobicContact CD1-CD1 4.26Å; L653-F672 HydrophobicContact CD2-CD1 3.9Å; L653-F672 HydrophobicContact CD2-CE1 3.89Å; H668-F672 PolarHBondContact O-N 2.81Å; L669-F672 PolarHBondContact O-N 2.76Å
673	V	86.2	Confident	79.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.3	-48.1	179.2	164	0	0	0	0	111.4	N513 I515 L653 L669 L670 N671	N513-V673 HydrophobicContact CB-CB 4.49Å; N513-V673 HydrophobicContact CB-CG1 3.64Å; N513-V673 PolarHBondContact ND2-O 3.42Å; N513-V673 WeakPolarHBondContact O-CG1 3.48Å; I515-V673 HydrophobicContact CD1-CG2 4.07Å; I515-V673 HydrophobicContact CG1-CG2 3.91Å; L653-V673 HydrophobicContact CD1-CG2 3.6Å; L653-V673 HydrophobicContact CG-CG2 4.03Å; L669-V673 WeakPolarHBondContact O-CG2 3.27Å; L669-V673 PolarHBondContact O-N 3.13Å; L669-V673 VanDerWaalsContact O-N 3.1Å; L670-V673 PolarHBondContact O-N 3.33Å; N671-V673 VanDerWaalsContact C-N 3.32Å; N671-V673 PolarHBondContact O-N 3.4Å
674	E	84.7	Confident	79.3	Confident	51 Å²	51	50.5 Å²	50.5	24%	0.238	25%	0.246	C	C	.	.			trans	-144.2	81.2	179.8	-163.5	169.7	170.1	0	0	112.5	L670 N671 K676 K677 F678 H707	L670-E674 PolarHBondContact O-N 2.86Å; N671-E674 CarbonylContact O-C 3.36Å; E674-K676 PolarHBondContact O-N 3.12Å; E674-K677 HydrophobicContact CG-CB 4.43Å; E674-K677 HydrophobicContact CG-CD 4.31Å; E674-K677 HydrophobicContact CG-CG 4.2Å; E674-K677 PolarHBondContact O-N 3.37Å; E674-K677 VanDerWaalsContact O-N 3.09Å; E674-K677 WeakPolarHBondContact OE1-CD 3.5Å; E674-K677 WeakPolarHBondContact OE1-CE 3.38Å; E674-K677 IonicContact OE1-NZ 3.34Å; E674-K677 PolarHBondContact OE1-NZ 3.11Å; E674-K677 IonicContact OE2-NZ 3.85Å; E674-K677 PolarHBondContact OE2-NZ 2.8Å; E674-F678 PolarHBondContact O-N 3.46Å; E674-H707 IonicContact OE2-CE1 2.76Å; E674-H707 PolarHBondContact OE2-CE1 3.01Å; E674-H707 VanDerWaalsContact OE2-CE1 3.23Å; E674-H707 IonicContact OE2-NE2 3.78Å
675	P	82.5	Confident	79.1	Confident	70 Å²	70	50 Å²	50	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.5	-172.5	25.2	-34.2	0	0	0	113.8	N671	N671-P675 WeakPolarHBondContact O-CA 3.39Å; N671-P675 VanDerWaalsContact O-CB 3.31Å; N671-P675 WeakPolarHBondContact O-CB 3.31Å; N671-P675 WeakPolarHBondContact O-CD 3.47Å
676	K	80.9	Confident	78.9	Confident	192 Å²	192	54.8 Å²	54.8	84%	0.835	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-23.5	176	-64.8	-171.5	177.7	-173.7	0	114	E674	E674-K676 PolarHBondContact O-N 3.12Å
677	K	77.3	Confident	78.6	Confident	120 Å²	120	59.8 Å²	59.8	52%	0.522	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-31.8	178	-73.4	-176.7	-175.8	137.8	0	112.8	E674	E674-K677 HydrophobicContact CG-CB 4.43Å; E674-K677 HydrophobicContact CG-CD 4.31Å; E674-K677 HydrophobicContact CG-CG 4.2Å; E674-K677 PolarHBondContact O-N 3.37Å; E674-K677 VanDerWaalsContact O-N 3.09Å; E674-K677 WeakPolarHBondContact OE1-CD 3.5Å; E674-K677 WeakPolarHBondContact OE1-CE 3.38Å; E674-K677 IonicContact OE1-NZ 3.34Å; E674-K677 PolarHBondContact OE1-NZ 3.11Å; E674-K677 IonicContact OE2-NZ 3.85Å; E674-K677 PolarHBondContact OE2-NZ 2.8Å
678	F	74.5	Confident	78.2	Confident	11 Å²	11	60.5 Å²	60.5	5%	0.048	30%	0.297	C	S	.	.			trans	-118.4	60	-169.7	-59.3	-72.1	0	0	0	110.7	F667 L670 N671 E674 L684	F667-F678 HydrophobicContact CD2-CB 4.47Å; F667-F678 HydrophobicContact CE2-CB 3.77Å; F667-F678 HydrophobicContact CE2-CD1 4.2Å; F667-F678 HydrophobicContact CE2-CG 4.46Å; F667-F678 HydrophobicContact CZ-CB 4.09Å; F667-F678 VanDerWaalsContact CZ-O 3.29Å; F667-F678 WeakPolarHBondContact CZ-O 3.21Å; L670-F678 HydrophobicContact CB-CD1 4.42Å; L670-F678 HydrophobicContact CB-CD2 3.82Å; L670-F678 HydrophobicContact CB-CE2 4.02Å; L670-F678 HydrophobicContact CB-CG 4.03Å; L670-F678 HydrophobicContact CB-CZ 4.41Å; L670-F678 HydrophobicContact CD1-CE1 4.34Å; L670-F678 HydrophobicContact CD1-CZ 4.32Å; L670-F678 HydrophobicContact CD2-CE2 4.41Å; N671-F678 HydrophobicContact CB-CB 4.31Å; N671-F678 WeakPolarHBondContact CB-O 3.45Å; N671-F678 VanDerWaalsContact CG-O 3.24Å; N671-F678 PolarHBondContact ND2-O 2.82Å; E674-F678 PolarHBondContact O-N 3.46Å; F678-L684 HydrophobicContact CD1-CD1 4.08Å
679	T	71.5	Confident	77.5	Confident	75 Å²	75	61.9 Å²	61.9	46%	0.46	31%	0.314	S	S	.	.			trans	-67.4	-54.6	-177.9	59.4	0	0	0	0	111.6	N671	N671-T679 PolarHBondContact ND2-O 3.16Å
680	D	70.4	Confident	76.7	Confident	96 Å²	96	70.2 Å²	70.2	51%	0.513	35%	0.353	S	S	.	.			trans	-128.6	128.7	-165.3	-63.1	-70.1	0	0	0	113.3	R682	D680-R682 VanDerWaalsContact C-N 3.34Å
681	F	73.3	Confident	76.2	Confident	45 Å²	45	72.6 Å²	72.6	20%	0.197	37%	0.365	C	S	.	.	H	α-helix	trans	-71.2	-29.4	178.2	-178	-108.4	0	0	0	112.3	E664 F667 L684 S685 W688	E664-F681 HydrophobicContact CB-CZ 4.45Å; E664-F681 HydrophobicContact CG-CD1 4.14Å; E664-F681 HydrophobicContact CG-CE1 3.58Å; E664-F681 HydrophobicContact CG-CE2 4.1Å; E664-F681 HydrophobicContact CG-CZ 3.55Å; F667-F681 HydrophobicContact CB-CD2 3.74Å; F667-F681 HydrophobicContact CB-CE2 4.2Å; F667-F681 HydrophobicContact CD1-CB 3.76Å; F667-F681 AromaticContact CD1-CD2 3.91Å; F667-F681 HydrophobicContact CD1-CD2 3.91Å; F667-F681 HydrophobicContact CD1-CG 4.27Å; F667-F681 HydrophobicContact CD2-CD2 4.16Å; F667-F681 HydrophobicContact CE1-CB 3.77Å; F667-F681 HydrophobicContact CG-CB 4.29Å; F667-F681 AromaticContact CG-CD2 3.65Å; F667-F681 HydrophobicContact CG-CD2 3.65Å; F667-F681 HydrophobicContact CG-CG 4.44Å; F667-F681 HydrophobicContact CZ-CB 4.28Å; F681-L684 PolarHBondContact O-N 2.89Å; F681-S685 WeakPolarHBondContact O-CB 3.41Å; F681-S685 PolarHBondContact O-N 3.21Å; F681-W688 HydrophobicContact CE2-CZ3 4.26Å
682	R	74.7	Confident	75.7	Confident	191 Å²	191	75.6 Å²	75.6	72%	0.721	39%	0.385	S	S	*	.	H	α-helix	trans	-61.6	-55.6	-175.1	-74.6	-173.8	177.7	167.5	-0.7	112.4	D680 L684 S685 E686	D680-R682 VanDerWaalsContact C-N 3.34Å; R682-L684 VanDerWaalsContact C-N 3.26Å; R682-L684 PolarHBondContact O-N 3.29Å; R682-S685 CarbonylContact O-C 3.6Å; R682-S685 WeakPolarHBondContact O-CA 3.48Å; R682-S685 WeakPolarHBondContact O-CB 3.46Å; R682-S685 PolarHBondContact O-N 3.16Å; R682-E686 WeakPolarHBondContact O-CB 3.42Å; R682-E686 WeakPolarHBondContact O-CG 3.19Å; R682-E686 PolarHBondContact O-N 3.15Å
683	A	72.3	Confident	75	Confident	48 Å²	48	83.6 Å²	83.6	40%	0.397	42%	0.419	S	S	.	.	H	α-helix	trans	-57.3	-37.6	178.1	0	0	0	0	0	113	Q687	A683-Q687 WeakPolarHBondContact O-CB 3.29Å; A683-Q687 VanDerWaalsContact O-CG 3.26Å; A683-Q687 WeakPolarHBondContact O-CG 3.46Å; A683-Q687 PolarHBondContact O-N 2.83Å
684	L	71.6	Confident	74.6	Confident	22 Å²	22	86.9 Å²	86.9	12%	0.115	44%	0.44	C	S	.	.	H	α-helix	trans	-72.3	-36.2	174.9	-106.7	164	0	0	0	112.6	F667 F678 F681 R682 W688	F667-L684 HydrophobicContact CD2-CD1 4.06Å; F667-L684 HydrophobicContact CE2-CD1 3.76Å; F678-L684 HydrophobicContact CD1-CD1 4.08Å; F681-L684 PolarHBondContact O-N 2.89Å; R682-L684 VanDerWaalsContact C-N 3.26Å; R682-L684 PolarHBondContact O-N 3.29Å; L684-W688 HydrophobicContact CD2-CD2 4.49Å; L684-W688 HydrophobicContact CD2-CZ2 3.88Å; L684-W688 VanDerWaalsContact O-CB 3.25Å; L684-W688 WeakPolarHBondContact O-CB 3.32Å; L684-W688 PolarHBondContact O-N 3.13Å
685	S	72.4	Confident	74.3	Confident	45 Å²	45	87 Å²	87	32%	0.315	44%	0.442	S	S	.	.	H	α-helix	trans	-70	-32.3	175.1	-171.8	0	0	0	0	112.3	F681 R682 A689	F681-S685 WeakPolarHBondContact O-CB 3.41Å; F681-S685 PolarHBondContact O-N 3.21Å; R682-S685 CarbonylContact O-C 3.6Å; R682-S685 WeakPolarHBondContact O-CA 3.48Å; R682-S685 WeakPolarHBondContact O-CB 3.46Å; R682-S685 PolarHBondContact O-N 3.16Å; S685-A689 VanDerWaalsContact O-CB 3.31Å; S685-A689 WeakPolarHBondContact O-CB 3.27Å; S685-A689 PolarHBondContact O-N 3.19Å
686	E	75	Confident	74	Confident	115 Å²	115	87.8 Å²	87.8	54%	0.537	44%	0.436	S	S	.	.	H	α-helix	trans	-69.9	-52.3	173.1	-73.7	149.9	-157.8	0	0	110.5	R682 W688 A689 E690	R682-E686 WeakPolarHBondContact O-CB 3.42Å; R682-E686 WeakPolarHBondContact O-CG 3.19Å; R682-E686 PolarHBondContact O-N 3.15Å; E686-W688 VanDerWaalsContact C-N 3.26Å; E686-W688 PolarHBondContact O-N 3.04Å; E686-A689 WeakPolarHBondContact O-CB 3.3Å; E686-A689 PolarHBondContact O-N 3.48Å; E686-E690 PolarHBondContact O-N 2.8Å
687	Q	72.6	Confident	73.8	Confident	109 Å²	109	81.2 Å²	81.2	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-54.5	-42.6	171.3	-73.4	171.6	7.9	0	0	112	A683 M691	A683-Q687 WeakPolarHBondContact O-CB 3.29Å; A683-Q687 VanDerWaalsContact O-CG 3.26Å; A683-Q687 WeakPolarHBondContact O-CG 3.46Å; A683-Q687 PolarHBondContact O-N 2.83Å; Q687-M691 WeakPolarHBondContact O-CG 3.27Å
688	W	71.8	Confident	73.9	Confident	21 Å²	21	81.3 Å²	81.3	8%	0.08	41%	0.41	C	S	.	.	H	α-helix	trans	-69.5	-31.4	175.6	-70.3	-6.4	0	0	0	112.5	L663 F681 L684 E686 E690 M691 R696 H699 L700	L663-W688 HydrophobicContact CB-CZ3 4.2Å; L663-W688 HydrophobicContact CD1-CE3 4.49Å; L663-W688 HydrophobicContact CD1-CZ3 4.22Å; F681-W688 HydrophobicContact CE2-CZ3 4.26Å; L684-W688 HydrophobicContact CD2-CD2 4.49Å; L684-W688 HydrophobicContact CD2-CZ2 3.88Å; L684-W688 VanDerWaalsContact O-CB 3.25Å; L684-W688 WeakPolarHBondContact O-CB 3.32Å; L684-W688 PolarHBondContact O-N 3.13Å; E686-W688 VanDerWaalsContact C-N 3.26Å; E686-W688 PolarHBondContact O-N 3.04Å; W688-E690 VanDerWaalsContact C-N 3.28Å; W688-E690 PolarHBondContact O-N 3.22Å; W688-M691 PolarHBondContact O-N 3.17Å; W688-R696 HydrophobicContact CB-CG 4.26Å; W688-R696 VanDerWaalsContact O-CD 3.29Å; W688-R696 WeakPolarHBondContact O-CD 3.41Å; W688-R696 WeakPolarHBondContact O-CG 3.31Å; W688-R696 PolarHBondContact O-NE 3.22Å; W688-R696 PolarHBondContact O-NH1 3.35Å; W688-R696 VanDerWaalsContact O-NH1 3.17Å; W688-R696 PolarHBondContact O-NH2 3.03Å; W688-R696 VanDerWaalsContact O-NH2 3.13Å; W688-H699 AromaticContact NE1-ND1 3.85Å; W688-L700 HydrophobicContact CH2-CD1 4.02Å; W688-L700 HydrophobicContact CZ2-CD1 3.99Å
689	A	70.5	Confident	74.1	Confident	63 Å²	63	84 Å²	84	52%	0.521	42%	0.422	S	S	.	.	H	α-helix	trans	-60.5	-36.9	-179	0	0	0	0	0	112.4	S685 E686 R696	S685-A689 VanDerWaalsContact O-CB 3.31Å; S685-A689 WeakPolarHBondContact O-CB 3.27Å; S685-A689 PolarHBondContact O-N 3.19Å; E686-A689 WeakPolarHBondContact O-CB 3.3Å; E686-A689 PolarHBondContact O-N 3.48Å; A689-R696 PolarHBondContact O-NH2 3.25Å
690	E	70.6	Confident	74.4	Confident	179 Å²	179	81 Å²	81	84%	0.836	40%	0.403	S	S	*	.	H	α-helix	trans	-75.3	-32.4	179.1	-60.1	-175.2	155.5	0	0	113.6	E686 W688	E686-E690 PolarHBondContact O-N 2.8Å; W688-E690 VanDerWaalsContact C-N 3.28Å; W688-E690 PolarHBondContact O-N 3.22Å
691	M	73.5	Confident	74.7	Confident	57 Å²	57	77.6 Å²	77.6	28%	0.281	38%	0.384	S	S	.	.	S	Bend	trans	-73.9	149.9	-176.5	-65.4	179.1	82.2	0	0	112.9	Q687 W688 D695 R696 H699	Q687-M691 WeakPolarHBondContact O-CG 3.27Å; W688-M691 PolarHBondContact O-N 3.17Å; M691-D695 HydrophobicContact CE-CB 3.96Å; M691-D695 WeakPolarHBondContact CE-O 3.49Å; M691-R696 HydrophobicContact CB-CG 3.74Å; M691-R696 PolarHBondContact O-NE 2.92Å; M691-R696 PolarHBondContact O-NH2 3.12Å; M691-H699 HydrophobicContact CE-CB 4.11Å
692	P	76.5	Confident	75.1	Confident	75 Å²	75	80.3 Å²	80.3	49%	0.487	40%	0.401	S	S	.	.			trans	-68.9	151.2	168.6	29.9	-34.5	0	0	0	111.2	T694 D695 R696	P692-T694 VanDerWaalsContact C-N 3.26Å; P692-T694 PolarHBondContact O-N 2.96Å; P692-T694 VanDerWaalsContact O-N 3.13Å; P692-D695 HydrophobicContact CG-CB 3.96Å; P692-D695 WeakPolarHBondContact CG-OD2 3.42Å; P692-D695 PolarHBondContact O-N 2.68Å; P692-R696 PolarHBondContact O-N 3.42Å
693	K	71.7	Confident	75.4	Confident	170 Å²	170	73.6 Å²	73.6	74%	0.739	38%	0.379	S	S	*	.	H	α-helix	trans	-53	-39.3	-172.9	-68.7	-177.5	-177.6	173.7	0	113.8	D695 I697	K693-D695 VanDerWaalsContact C-N 3.28Å; K693-D695 PolarHBondContact O-N 3.3Å; K693-I697 WeakPolarHBondContact O-CD1 3.44Å; K693-I697 VanDerWaalsContact O-CG1 3.3Å; K693-I697 WeakPolarHBondContact O-CG1 3.31Å; K693-I697 PolarHBondContact O-N 2.99Å; K693-I697 VanDerWaalsContact O-N 3.16Å
694	T	77.4	Confident	75.7	Confident	70 Å²	70	71.6 Å²	71.6	43%	0.429	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-36.6	177.8	50.8	0	0	0	0	112.6	P692 I697 K698	P692-T694 VanDerWaalsContact C-N 3.26Å; P692-T694 PolarHBondContact O-N 2.96Å; P692-T694 VanDerWaalsContact O-N 3.13Å; T694-I697 PolarHBondContact O-N 3.22Å; T694-K698 WeakPolarHBondContact O-CG 3.31Å; T694-K698 PolarHBondContact O-N 2.83Å
695	D	80.2	Confident	76.1	Confident	52 Å²	52	74.3 Å²	74.3	28%	0.278	38%	0.376	S	S	.	.	H	α-helix	trans	-93.1	-26.8	-171.4	-57.3	-12.4	0	0	0	110.9	M691 P692 K693 I697 K698 H699	M691-D695 HydrophobicContact CE-CB 3.96Å; M691-D695 WeakPolarHBondContact CE-O 3.49Å; P692-D695 HydrophobicContact CG-CB 3.96Å; P692-D695 WeakPolarHBondContact CG-OD2 3.42Å; P692-D695 PolarHBondContact O-N 2.68Å; K693-D695 VanDerWaalsContact C-N 3.28Å; K693-D695 PolarHBondContact O-N 3.3Å; D695-I697 VanDerWaalsContact C-N 3.27Å; D695-I697 PolarHBondContact O-N 2.85Å; D695-K698 PolarHBondContact O-N 3.25Å; D695-K698 WeakPolarHBondContact OD1-CD 3.3Å; D695-K698 WeakPolarHBondContact OD1-CE 3.47Å; D695-K698 IonicContact OD1-NZ 2.94Å; D695-K698 PolarHBondContact OD1-NZ 3.41Å; D695-H699 VanDerWaalsContact O-CB 3.28Å; D695-H699 WeakPolarHBondContact O-CB 3.42Å; D695-H699 PolarHBondContact O-N 2.87Å
696	R	75.5	Confident	76.6	Confident	87 Å²	87	81 Å²	81	33%	0.328	40%	0.395	S	S	.	.	H	α-helix	trans	-51.8	-49.3	158.4	-61.7	176.5	-152.9	-139.3	-11.5	110.3	W688 A689 M691 P692 L700	W688-R696 HydrophobicContact CB-CG 4.26Å; W688-R696 VanDerWaalsContact O-CD 3.29Å; W688-R696 WeakPolarHBondContact O-CD 3.41Å; W688-R696 WeakPolarHBondContact O-CG 3.31Å; W688-R696 PolarHBondContact O-NE 3.22Å; W688-R696 PolarHBondContact O-NH1 3.35Å; W688-R696 VanDerWaalsContact O-NH1 3.17Å; W688-R696 PolarHBondContact O-NH2 3.03Å; W688-R696 VanDerWaalsContact O-NH2 3.13Å; A689-R696 PolarHBondContact O-NH2 3.25Å; M691-R696 HydrophobicContact CB-CG 3.74Å; M691-R696 PolarHBondContact O-NE 2.92Å; M691-R696 PolarHBondContact O-NH2 3.12Å; P692-R696 PolarHBondContact O-N 3.42Å; R696-L700 WeakPolarHBondContact O-CB 3.44Å; R696-L700 PolarHBondContact O-N 2.65Å
697	I	75.7	Confident	77.1	Confident	55 Å²	55	75.8 Å²	75.8	28%	0.282	37%	0.37	S	S	.	.	H	α-helix	trans	-66.8	-45.9	-178	-70.8	167.4	0	0	0	111.3	K693 T694 D695 L700 H701	K693-I697 WeakPolarHBondContact O-CD1 3.44Å; K693-I697 VanDerWaalsContact O-CG1 3.3Å; K693-I697 WeakPolarHBondContact O-CG1 3.31Å; K693-I697 PolarHBondContact O-N 2.99Å; K693-I697 VanDerWaalsContact O-N 3.16Å; T694-I697 PolarHBondContact O-N 3.22Å; D695-I697 VanDerWaalsContact C-N 3.27Å; D695-I697 PolarHBondContact O-N 2.85Å; I697-L700 PolarHBondContact O-N 3.13Å; I697-H701 WeakPolarHBondContact CG2-NE2 3.23Å; I697-H701 PolarHBondContact O-CD2 2.71Å; I697-H701 PolarHBondContact O-N 3.44Å
698	K	80	Confident	77.8	Confident	121 Å²	121	71.3 Å²	71.3	53%	0.526	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-51.3	174	-69.1	166.7	-165.9	162.2	0	112.3	T694 D695 L700 H701 D702	T694-K698 WeakPolarHBondContact O-CG 3.31Å; T694-K698 PolarHBondContact O-N 2.83Å; D695-K698 PolarHBondContact O-N 3.25Å; D695-K698 WeakPolarHBondContact OD1-CD 3.3Å; D695-K698 WeakPolarHBondContact OD1-CE 3.47Å; D695-K698 IonicContact OD1-NZ 2.94Å; D695-K698 PolarHBondContact OD1-NZ 3.41Å; K698-L700 VanDerWaalsContact C-N 3.32Å; K698-L700 PolarHBondContact O-N 3.39Å; K698-H701 WeakPolarHBondContact O-CB 3.24Å; K698-H701 PolarHBondContact O-N 2.87Å; K698-H701 VanDerWaalsContact O-N 3.14Å; K698-D702 PolarHBondContact O-N 3.26Å
699	H	79.6	Confident	78.6	Confident	69 Å²	69	71.7 Å²	71.7	32%	0.319	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-37.9	-179.5	-179.2	-127.5	0	0	0	112	W688 M691 D695 D702 L703	W688-H699 AromaticContact NE1-ND1 3.85Å; M691-H699 HydrophobicContact CE-CB 4.11Å; D695-H699 VanDerWaalsContact O-CB 3.28Å; D695-H699 WeakPolarHBondContact O-CB 3.42Å; D695-H699 PolarHBondContact O-N 2.87Å; H699-D702 PolarHBondContact O-N 3.42Å; H699-L703 WeakPolarHBondContact O-CG 3.34Å; H699-L703 PolarHBondContact O-N 3.19Å; H699-L703 VanDerWaalsContact O-N 3.1Å
700	L	76.5	Confident	79.4	Confident	10 Å²	10	71 Å²	71	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-46.2	171.3	178.1	59.8	0	0	0	111.5	L663 L666 W688 R696 I697 K698 D702 L703 L704 I951	L663-L700 HydrophobicContact CD2-CD2 3.67Å; L666-L700 HydrophobicContact CD2-CD1 4.22Å; L666-L700 HydrophobicContact CD2-CD2 4.36Å; W688-L700 HydrophobicContact CH2-CD1 4.02Å; W688-L700 HydrophobicContact CZ2-CD1 3.99Å; R696-L700 WeakPolarHBondContact O-CB 3.44Å; R696-L700 PolarHBondContact O-N 2.65Å; I697-L700 PolarHBondContact O-N 3.13Å; K698-L700 VanDerWaalsContact C-N 3.32Å; K698-L700 PolarHBondContact O-N 3.39Å; L700-D702 VanDerWaalsContact C-N 3.35Å; L700-D702 PolarHBondContact O-N 3.09Å; L700-L703 PolarHBondContact O-N 3.01Å; L700-L704 HydrophobicContact CD1-CD1 4.03Å; L700-L704 HydrophobicContact CD1-CG 4.1Å; L700-L704 HydrophobicContact CG-CD1 3.87Å; L700-L704 HydrophobicContact CG-CG 4.38Å; L700-L704 WeakPolarHBondContact O-CB 3.44Å; L700-L704 WeakPolarHBondContact O-CG 3.47Å; L700-L704 PolarHBondContact O-N 2.73Å; L700-I951 HydrophobicContact CD2-CG2 3.89Å
701	H	77.3	Confident	80.1	Confident	26 Å²	26	63.4 Å²	63.4	12%	0.12	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-43.4	174	-71.5	-59.9	0	0	0	111.8	I697 K698 L703 L704 N705 I951 H954	I697-H701 WeakPolarHBondContact CG2-NE2 3.23Å; I697-H701 PolarHBondContact O-CD2 2.71Å; I697-H701 PolarHBondContact O-N 3.44Å; K698-H701 WeakPolarHBondContact O-CB 3.24Å; K698-H701 PolarHBondContact O-N 2.87Å; K698-H701 VanDerWaalsContact O-N 3.14Å; H701-L703 VanDerWaalsContact C-N 3.31Å; H701-L703 PolarHBondContact O-N 3.28Å; H701-L704 CarbonylContact O-C 3.52Å; H701-L704 PolarHBondContact O-N 2.99Å; H701-L704 VanDerWaalsContact O-N 3.12Å; H701-N705 VanDerWaalsContact O-CB 3.28Å; H701-N705 WeakPolarHBondContact O-CB 3.46Å; H701-N705 PolarHBondContact O-N 3.11Å; H701-N705 PolarHBondContact O-ND2 3.36Å; H701-N705 PolarHBondContact O-OD1 2.76Å; H701-I951 PolarHBondContact CE1-O 3.22Å; H701-H954 AromaticContact CE1-ND1 3.88Å; H701-H954 AromaticContact CG-CE1 3.98Å; H701-H954 AromaticContact CG-ND1 3.86Å; H701-H954 AromaticContact ND1-CE1 3.36Å; H701-H954 PolarHBondContact ND1-CE1 3.1Å; H701-H954 AromaticContact ND1-ND1 3.4Å; H701-H954 PolarHBondContact ND1-ND1 3.01Å
702	D	81.7	Confident	80.6	Confident	102 Å²	102	62.5 Å²	62.5	55%	0.545	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-32	180	-76.3	-31.4	0	0	0	113.8	K698 H699 L700 N705	K698-D702 PolarHBondContact O-N 3.26Å; H699-D702 PolarHBondContact O-N 3.42Å; L700-D702 VanDerWaalsContact C-N 3.35Å; L700-D702 PolarHBondContact O-N 3.09Å; D702-N705 PolarHBondContact OD1-ND2 3.13Å
703	L	80.1	Confident	80.8	Confident	50 Å²	50	59.5 Å²	59.5	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-70.5	-44	169.5	-68.7	169.7	0	0	0	111.7	H699 L700 H701	H699-L703 WeakPolarHBondContact O-CG 3.34Å; H699-L703 PolarHBondContact O-N 3.19Å; H699-L703 VanDerWaalsContact O-N 3.1Å; L700-L703 PolarHBondContact O-N 3.01Å; H701-L703 VanDerWaalsContact C-N 3.31Å; H701-L703 PolarHBondContact O-N 3.28Å
704	L	79.9	Confident	81.1	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-68.1	-37.5	-180	-69.4	172.4	0	0	0	113	L666 L670 L700 H701 R706 H707 L708	L666-L704 HydrophobicContact CD1-CD2 4.08Å; L666-L704 HydrophobicContact CD2-CD1 4.19Å; L666-L704 HydrophobicContact CD2-CD2 4.28Å; L666-L704 HydrophobicContact CG-CD2 4.4Å; L670-L704 HydrophobicContact CD1-CD2 4.03Å; L670-L704 HydrophobicContact CD2-CD2 4.16Å; L670-L704 HydrophobicContact CG-CD2 4.47Å; L700-L704 HydrophobicContact CD1-CD1 4.03Å; L700-L704 HydrophobicContact CD1-CG 4.1Å; L700-L704 HydrophobicContact CG-CD1 3.87Å; L700-L704 HydrophobicContact CG-CG 4.38Å; L700-L704 WeakPolarHBondContact O-CB 3.44Å; L700-L704 WeakPolarHBondContact O-CG 3.47Å; L700-L704 PolarHBondContact O-N 2.73Å; H701-L704 CarbonylContact O-C 3.52Å; H701-L704 PolarHBondContact O-N 2.99Å; H701-L704 VanDerWaalsContact O-N 3.12Å; L704-R706 PolarHBondContact O-N 3.49Å; L704-H707 PolarHBondContact O-N 3.48Å; L704-L708 HydrophobicContact CB-CB 4.36Å; L704-L708 HydrophobicContact CD2-CD1 4.25Å; L704-L708 PolarHBondContact O-N 3.24Å
705	N	80.2	Confident	81.2	Confident	79 Å²	79	57.6 Å²	57.6	42%	0.422	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-21.8	-174.1	-81.4	-23.9	0	0	0	114.2	H701 D702 H954	H701-N705 VanDerWaalsContact O-CB 3.28Å; H701-N705 WeakPolarHBondContact O-CB 3.46Å; H701-N705 PolarHBondContact O-N 3.11Å; H701-N705 PolarHBondContact O-ND2 3.36Å; H701-N705 PolarHBondContact O-OD1 2.76Å; D702-N705 PolarHBondContact OD1-ND2 3.13Å; N705-H954 PolarHBondContact OD1-CE1 2.87Å
706	R	82.3	Confident	81.1	Confident	185 Å²	185	56.8 Å²	56.8	70%	0.698	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-24.2	177.8	-58.5	-173.1	-174.7	-153	2.1	113.9	I512 L704	I512-R706 WeakPolarHBondContact CG2-O 3.47Å; L704-R706 PolarHBondContact O-N 3.49Å
707	H	85.2	Confident	81.1	Confident	5 Å²	5	53.9 Å²	53.9	2%	0.023	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-21.8	-169.8	-66.8	-80.2	0	0	0	113.5	N513 A514 I515 E674 L704	N513-H707 PolarHBondContact O-ND1 3.38Å; A514-H707 CarbonylContact C-O 3.51Å; I515-H707 PolarHBondContact N-O 2.92Å; E674-H707 IonicContact OE2-CE1 2.76Å; E674-H707 PolarHBondContact OE2-CE1 3.01Å; E674-H707 VanDerWaalsContact OE2-CE1 3.23Å; E674-H707 IonicContact OE2-NE2 3.78Å; L704-H707 PolarHBondContact O-N 3.48Å
708	L	87.7	Confident	81	Confident	15 Å²	15	60.1 Å²	60.1	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127	-170.7	-177.4	146.8	0	0	0	111.3	I515 A517 P658 L704 R710	I515-L708 HydrophobicContact CB-CB 4.4Å; I515-L708 HydrophobicContact CG2-CD1 4.36Å; I515-L708 WeakPolarHBondContact O-CA 3.42Å; A517-L708 HydrophobicContact CB-CD1 4.1Å; A517-L708 HydrophobicContact CB-CD2 4.21Å; A517-L708 HydrophobicContact CB-CG 3.95Å; P658-L708 HydrophobicContact CB-CD1 3.95Å; P658-L708 HydrophobicContact CG-CD1 4.31Å; L704-L708 HydrophobicContact CB-CB 4.36Å; L704-L708 HydrophobicContact CD2-CD1 4.25Å; L704-L708 PolarHBondContact O-N 3.24Å; L708-R710 HydrophobicContact CD2-CB 3.77Å
709	L	88.5	Confident	80.8	Confident	30 Å²	30	61.8 Å²	61.8	16%	0.157	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.9	169.3	177.8	60.7	0	0	0	109.4	W503 I515 L516 A517 D518 R711	W503-L709 HydrophobicContact CB-CD2 4.13Å; W503-L709 HydrophobicContact CD2-CB 3.89Å; W503-L709 HydrophobicContact CD2-CD2 3.8Å; W503-L709 HydrophobicContact CD2-CG 4.4Å; W503-L709 HydrophobicContact CE3-CB 3.79Å; W503-L709 HydrophobicContact CE3-CD2 3.76Å; W503-L709 HydrophobicContact CE3-CG 4.43Å; W503-L709 HydrophobicContact CG-CD2 3.96Å; W503-L709 HydrophobicContact CH2-CB 3.67Å; W503-L709 HydrophobicContact CZ2-CB 3.77Å; W503-L709 HydrophobicContact CZ3-CB 3.67Å; W503-L709 HydrophobicContact CZ3-CD2 4.43Å; I515-L709 PolarHBondContact O-N 3.18Å; L516-L709 HydrophobicContact CD1-CB 4.21Å; L516-L709 HydrophobicContact CD1-CD2 3.89Å; L516-L709 HydrophobicContact CD1-CG 4.2Å; A517-L709 CarbonylContact C-O 3.57Å; A517-L709 WeakPolarHBondContact CA-O 3.43Å; A517-L709 WeakPolarHBondContact CB-O 3.29Å; A517-L709 PolarHBondContact N-O 3.19Å; D518-L709 PolarHBondContact N-O 3.43Å; L709-R711 HydrophobicContact CD1-CG 4.48Å
710	R	86.4	Confident	80.8	Confident	47 Å²	47	59.7 Å²	59.7	18%	0.177	30%	0.299	C	S	.	.			trans	-128.5	127.9	-179	174.3	64	169.9	-161.6	-8.2	110	A517 G656 L708 V952 D953	A517-R710 HydrophobicContact CB-CB 4.44Å; A517-R710 WeakPolarHBondContact O-CD 3.28Å; A517-R710 PolarHBondContact O-NH1 2.91Å; G656-R710 PolarHBondContact O-NH1 3.19Å; L708-R710 HydrophobicContact CD2-CB 3.77Å; R710-V952 HydrophobicContact CG-CG1 3.72Å; R710-D953 IonicContact NE-OD1 2.63Å; R710-D953 IonicContact NH2-OD1 2.69Å
711	R	86.7	Confident	80.9	Confident	20 Å²	20	60.7 Å²	60.7	8%	0.075	31%	0.306	C	S	.	.			trans	-141.2	142.3	173	-62.3	170.9	-68.3	-169.7	6.9	109.5	Y496 E499 D518 E519 Q527 L709 V716	Y496-R711 PolarHBondContact O-NH1 3.38Å; Y496-R711 PolarHBondContact O-NH2 3.15Å; E499-R711 IonicContact OE2-CZ 2.72Å; E499-R711 IonicContact OE2-NH1 3.69Å; E499-R711 PolarHBondContact OE2-NH1 2.9Å; D518-R711 IonicContact OD1-CZ 3.84Å; D518-R711 IonicContact OD1-NE 2.8Å; D518-R711 PolarHBondContact OD1-NE 3.1Å; D518-R711 IonicContact OD1-NH2 3.64Å; D518-R711 PolarHBondContact OD1-NH2 3.26Å; D518-R711 IonicContact OD2-CZ 2.75Å; D518-R711 IonicContact OD2-NE 2.7Å; D518-R711 IonicContact OD2-NH2 3.7Å; D518-R711 PolarHBondContact OD2-NH2 3.1Å; E519-R711 PolarHBondContact N-O 3.39Å; Q527-R711 VanDerWaalsContact OE1-NH2 3.16Å; L709-R711 HydrophobicContact CD1-CG 4.48Å; R711-V716 HydrophobicContact CB-CG2 3.88Å
712	L	83.5	Confident	81.1	Confident	39 Å²	39	64.9 Å²	64.9	20%	0.204	32%	0.324	C	S	.	.			trans	-97.4	162.9	178.2	-53.1	176.9	0	0	0	110.6	C714 D715 V716	L712-C714 VanDerWaalsContact C-N 3.29Å; L712-C714 VanDerWaalsContact CB-SG 3.55Å; L712-C714 PolarHBondContact O-N 3.5Å; L712-D715 WeakPolarHBondContact CB-OD2 3.26Å; L712-D715 PolarHBondContact N-OD2 3.42Å; L712-D715 PolarHBondContact O-N 3.48Å; L712-V716 VanDerWaalsContact O-CG2 3.28Å; L712-V716 WeakPolarHBondContact O-CG2 3.3Å
713	K	81.7	Confident	81.3	Confident	11 Å²	11	64.6 Å²	64.6	5%	0.048	32%	0.318	C	S	.	.	S	Bend	trans	-60.3	-38.1	176	-77	165.2	-173.1	151.2	0	113	E519 M520 L522 D715 V716 I717 L720 H914	E519-K713 HydrophobicContact CB-CG 4.49Å; E519-K713 VanDerWaalsContact OE1-CD 3.24Å; E519-K713 WeakPolarHBondContact OE1-CD 3.43Å; E519-K713 WeakPolarHBondContact OE1-CE 3.21Å; E519-K713 IonicContact OE1-NZ 2.7Å; E519-K713 PolarHBondContact OE1-NZ 2.87Å; E519-K713 WeakPolarHBondContact OE2-CB 3.4Å; E519-K713 WeakPolarHBondContact OE2-CD 3.43Å; E519-K713 VanDerWaalsContact OE2-CG 3.23Å; E519-K713 WeakPolarHBondContact OE2-CG 3.35Å; E519-K713 PolarHBondContact OE2-N 3.29Å; M520-K713 WeakPolarHBondContact O-CE 3.29Å; M520-K713 PolarHBondContact O-NZ 2.91Å; L522-K713 HydrophobicContact CD2-CG 3.95Å; L522-K713 HydrophobicContact CG-CG 4.36Å; K713-D715 VanDerWaalsContact C-N 3.31Å; K713-D715 PolarHBondContact O-N 3.22Å; K713-V716 PolarHBondContact O-N 2.67Å; K713-I717 PolarHBondContact O-N 3.39Å; K713-L720 HydrophobicContact CB-CD2 4.34Å; K713-L720 HydrophobicContact CD-CD2 3.74Å; K713-L720 HydrophobicContact CG-CD2 4.24Å; K713-H914 PolarHBondContact NZ-O 3.32Å
714	C	78.2	Confident	81.6	Confident	93 Å²	93	63.2 Å²	63.2	63%	0.628	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-33.9	-179.6	48.8	0	0	0	0	113.6	L712 V716	L712-C714 VanDerWaalsContact C-N 3.29Å; L712-C714 VanDerWaalsContact CB-SG 3.55Å; L712-C714 PolarHBondContact O-N 3.5Å; C714-V716 PolarHBondContact O-N 2.91Å
715	D	78.9	Confident	81.8	Confident	108 Å²	108	66.6 Å²	66.6	58%	0.578	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-14	-179.6	-31.1	-36	0	0	0	111.8	L712 K713	L712-D715 WeakPolarHBondContact CB-OD2 3.26Å; L712-D715 PolarHBondContact N-OD2 3.42Å; L712-D715 PolarHBondContact O-N 3.48Å; K713-D715 VanDerWaalsContact C-N 3.31Å; K713-D715 PolarHBondContact O-N 3.22Å
716	V	77.2	Confident	82.1	Confident	35 Å²	35	63 Å²	63	21%	0.212	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-37.1	-157.9	177	0	0	0	0	113.7	Y496 L522 R711 L712 K713 C714	Y496-V716 HydrophobicContact CD1-CG1 3.06Å; Y496-V716 HydrophobicContact CD2-CG1 3.61Å; Y496-V716 HydrophobicContact CE1-CG1 3.35Å; Y496-V716 HydrophobicContact CE2-CG1 3.89Å; Y496-V716 HydrophobicContact CG-CG1 3.18Å; L522-V716 HydrophobicContact CD2-CB 4.47Å; L522-V716 HydrophobicContact CD2-CG1 4.15Å; R711-V716 HydrophobicContact CB-CG2 3.88Å; L712-V716 VanDerWaalsContact O-CG2 3.28Å; L712-V716 WeakPolarHBondContact O-CG2 3.3Å; K713-V716 PolarHBondContact O-N 2.67Å; C714-V716 PolarHBondContact O-N 2.91Å
717	I	76.2	Confident	82.3	Confident	25 Å²	25	56.5 Å²	56.5	13%	0.128	29%	0.288	C	S	.	.			trans	-131.3	100	-174.6	-47.2	-176.1	0	0	0	109.1	Y496 L522 K713 L720 I916	Y496-I717 HydrophobicContact CE1-CG1 4.4Å; L522-I717 HydrophobicContact CD2-CD1 3.73Å; L522-I717 HydrophobicContact CD2-CG1 4.18Å; K713-I717 PolarHBondContact O-N 3.39Å; I717-L720 HydrophobicContact CB-CB 4.36Å; I717-L720 HydrophobicContact CG2-CB 3.9Å; I717-I916 HydrophobicContact CD1-CD1 3.58Å; I717-I916 HydrophobicContact CD1-CG1 3.7Å
718	Q	73.2	Confident	82.4	Confident	186 Å²	186	56.2 Å²	56.2	87%	0.869	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-26.3	179	-63.1	179.4	1	0	0	112.2	L720	Q718-L720 VanDerWaalsContact C-N 3.35Å; Q718-L720 PolarHBondContact O-N 3.45Å
719	D	76.1	Confident	82.3	Confident	156 Å²	156	56.2 Å²	56.2	83%	0.834	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.1	-175.6	-46.6	-56	0	0	0	114.5
720	L	78.6	Confident	82.1	Confident	26 Å²	26	54.9 Å²	54.9	14%	0.136	28%	0.281	C	S	.	.	S	Bend	trans	-77	128.8	-176.1	-171.4	71.3	0	0	0	110.1	K713 I717 Q718 K722 H914	K713-L720 HydrophobicContact CB-CD2 4.34Å; K713-L720 HydrophobicContact CD-CD2 3.74Å; K713-L720 HydrophobicContact CG-CD2 4.24Å; I717-L720 HydrophobicContact CB-CB 4.36Å; I717-L720 HydrophobicContact CG2-CB 3.9Å; Q718-L720 VanDerWaalsContact C-N 3.35Å; Q718-L720 PolarHBondContact O-N 3.45Å; L720-K722 PolarHBondContact O-N 2.86Å; L720-H914 VanDerWaalsContact CD2-CE1 3.46Å; L720-H914 WeakPolarHBondContact CD2-CE1 3.29Å
721	P	80.5	Confident	81.9	Confident	30 Å²	30	53.8 Å²	53.8	20%	0.195	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-52.9	138.7	176	-27.1	34.9	0	0	0	112	H914 K920	P721-H914 PolarHBondContact O-NE2 2.87Å; P721-K920 WeakPolarHBondContact CB-O 3.31Å
722	K	81.5	Confident	81.6	Confident	115 Å²	115	53.3 Å²	53.3	50%	0.5	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-62	162.2	176.6	-59.2	-169.9	-170.4	-173.6	0	110.8	L720 H921 V922 D1088	L720-K722 PolarHBondContact O-N 2.86Å; K722-H921 PolarHBondContact O-CD2 3.35Å; K722-H921 PolarHBondContact O-NE2 3.08Å; K722-V922 PolarHBondContact O-N 2.92Å; K722-V922 VanDerWaalsContact O-N 3.14Å; K722-D1088 IonicContact NZ-OD1 2.72Å; K722-D1088 PolarHBondContact NZ-OD1 2.7Å; K722-D1088 IonicContact NZ-OD2 3.17Å; K722-D1088 PolarHBondContact NZ-OD2 3.43Å
723	K	85.4	Confident	81.7	Confident	95 Å²	95	52 Å²	52	41%	0.413	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139	171.2	66.8	-176.5	-179.8	-175.7	0	108.6	V922 I924	K723-V922 VanDerWaalsContact CA-O 3.27Å; K723-V922 WeakPolarHBondContact CA-O 3.31Å; K723-V922 HydrophobicContact CB-CB 4.3Å; K723-I924 HydrophobicContact CB-CD1 4.29Å
724	T	85.6	Confident	81.6	Confident	22 Å²	22	52.7 Å²	52.7	14%	0.135	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.2	173	52.6	0	0	0	0	109.8	H921 V922 I924 M1085	T724-H921 PolarHBondContact OG1-CE1 2.88Å; T724-V922 PolarHBondContact N-O 3.19Å; T724-I924 WeakPolarHBondContact O-CB 3.43Å; T724-I924 PolarHBondContact O-N 3.42Å; T724-M1085 HydrophobicContact CG2-CE 4.09Å; T724-M1085 VanDerWaalsContact OG1-CE 3.24Å; T724-M1085 WeakPolarHBondContact OG1-CE 3.44Å
725	E	85.4	Confident	81.7	Confident	77 Å²	77	48.6 Å²	48.6	36%	0.36	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.7	175	-172.9	170.8	169.2	0	0	109.8	I924 R926	E725-I924 HydrophobicContact CB-CB 4.4Å; E725-I924 HydrophobicContact CG-CB 4.42Å; E725-I924 HydrophobicContact CG-CG2 4.19Å; E725-R926 IonicContact OE1-CZ 2.73Å; E725-R926 IonicContact OE1-NE 2.71Å; E725-R926 PolarHBondContact OE1-NE 2.98Å; E725-R926 IonicContact OE1-NH2 2.72Å; E725-R926 PolarHBondContact OE1-NH2 3.3Å
726	I	86.3	Confident	82	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124	173.7	-53	164	0	0	0	107.9	V728 V923 I924 Y925 R926 L1079 M1085 F1096 L1100	I726-V728 HydrophobicContact CB-CG2 4.46Å; I726-V728 HydrophobicContact CG2-CG2 3.85Å; I726-V923 HydrophobicContact CD1-CG1 4.04Å; I726-I924 PolarHBondContact N-O 2.92Å; I726-Y925 HydrophobicContact CB-CD1 4.38Å; I726-Y925 HydrophobicContact CD1-CD1 3.78Å; I726-Y925 HydrophobicContact CD1-CE1 3.47Å; I726-Y925 VanDerWaalsContact CD1-CE1 3.47Å; I726-R926 PolarHBondContact O-N 2.91Å; I726-L1079 HydrophobicContact CD1-CD2 4.31Å; I726-L1079 HydrophobicContact CG2-CD2 3.91Å; I726-M1085 HydrophobicContact CD1-CE 3.47Å; I726-M1085 VanDerWaalsContact CD1-CE 3.47Å; I726-M1085 HydrophobicContact CD1-SD 3.84Å; I726-M1085 HydrophobicContact CG1-CE 3.5Å; I726-M1085 VanDerWaalsContact CG1-CE 3.5Å; I726-F1096 HydrophobicContact CD1-CE1 4.43Å; I726-F1096 HydrophobicContact CG1-CE1 4.31Å; I726-F1096 HydrophobicContact CG2-CE1 4.07Å; I726-L1100 HydrophobicContact CG2-CD1 3.53Å
727	V	86.4	Confident	82.3	Confident	48 Å²	48	44.5 Å²	44.5	29%	0.291	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.9	161.6	176.3	0	0	0	0	107.6	P729 I928	V727-P729 VanDerWaalsContact O-CD 3.25Å; V727-P729 WeakPolarHBondContact O-CD 3.44Å; V727-I928 HydrophobicContact CG1-CB 4.48Å; V727-I928 HydrophobicContact CG1-CD1 3.69Å; V727-I928 HydrophobicContact CG1-CG1 4.11Å
728	V	86.7	Confident	82.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	100.6	175.6	178.5	0	0	0	0	107.8	I726 V730 V807 Y925 R926 F927 I928 L1079	I726-V728 HydrophobicContact CB-CG2 4.46Å; I726-V728 HydrophobicContact CG2-CG2 3.85Å; V728-V730 HydrophobicContact CG1-CG2 4.37Å; V728-V807 HydrophobicContact CG1-CG1 4.26Å; V728-Y925 HydrophobicContact CG2-CD1 4.02Å; V728-R926 PolarHBondContact N-O 3.24Å; V728-F927 HydrophobicContact CB-CD1 3.88Å; V728-F927 HydrophobicContact CB-CE1 4.2Å; V728-F927 HydrophobicContact CG1-CD1 3.92Å; V728-F927 HydrophobicContact CG1-CE1 3.99Å; V728-I928 PolarHBondContact O-N 2.99Å; V728-I928 VanDerWaalsContact O-N 3.17Å; V728-L1079 HydrophobicContact CG1-CD1 4.24Å; V728-L1079 HydrophobicContact CG2-CD1 4.3Å; V728-L1079 HydrophobicContact CG2-CD2 4.09Å
729	P	85	Confident	82.6	Confident	15 Å²	15	35.1 Å²	35.1	10%	0.097	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.5	176.7	29.1	-32.4	0	0	0	110.8	V727 I928 R930 L1100	V727-P729 VanDerWaalsContact O-CD 3.25Å; V727-P729 WeakPolarHBondContact O-CD 3.44Å; P729-I928 WeakPolarHBondContact CA-O 3.39Å; P729-R930 HydrophobicContact CB-CG 3.8Å; P729-L1100 WeakPolarHBondContact CG-O 3.41Å
730	V	85.1	Confident	83	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.8	-178.7	-168.9	0	0	0	0	109.6	V728 S803 V807 F927 I928 T929 R930	V728-V730 HydrophobicContact CG1-CG2 4.37Å; V730-S803 WeakPolarHBondContact CG1-OG 3.41Å; V730-V807 HydrophobicContact CG1-CG2 4.25Å; V730-V807 HydrophobicContact CG2-CG2 4.47Å; V730-F927 HydrophobicContact CG2-CD1 4.25Å; V730-I928 PolarHBondContact N-O 3.47Å; V730-T929 CarbonylContact O-C 3.59Å; V730-T929 VanDerWaalsContact O-CA 3.23Å; V730-T929 WeakPolarHBondContact O-CA 3.38Å; V730-R930 PolarHBondContact O-N 2.94Å
731	D	82.6	Confident	83.1	Confident	23 Å²	23	29.3 Å²	29.3	12%	0.123	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-86.4	155.1	175.8	-72.7	-56.6	0	0	0	111.7	S803 R930 H931	D731-S803 WeakPolarHBondContact O-CB 3.38Å; D731-S803 PolarHBondContact O-OG 3.48Å; D731-R930 WeakPolarHBondContact OD1-CB 3.39Å; D731-R930 WeakPolarHBondContact OD1-CD 3.46Å; D731-R930 IonicContact OD2-NH1 3.12Å; D731-R930 PolarHBondContact OD2-NH1 3Å; D731-H931 IonicContact OD1-ND1 3.75Å
732	M	80.5	Confident	82.9	Confident	10 Å²	10	29.4 Å²	29.4	5%	0.049	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-76.2	139.9	-177.4	-72.1	-177.3	-88.5	0	0	112.9	Q736 R737 Y740 T929 L1039	M732-Q736 HydrophobicContact CB-CB 4Å; M732-Q736 HydrophobicContact CG-CB 4.31Å; M732-R737 HydrophobicContact CB-CB 4.46Å; M732-Y740 HydrophobicContact SD-CD2 4.05Å; M732-Y740 HydrophobicContact SD-CG 4.07Å; M732-T929 HydrophobicContact CG-CG2 3.35Å; M732-T929 HydrophobicContact SD-CG2 4.19Å; M732-L1039 HydrophobicContact CE-CD1 4.4Å; M732-L1039 HydrophobicContact CE-CD2 4.03Å
733	T	84.1	Confident	82.8	Confident	11 Å²	11	24.3 Å²	24.3	7%	0.067	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-64.6	162.3	167	69.1	0	0	0	0	111.5	L735 Q736 R737 V801 I1069	T733-L735 VanDerWaalsContact C-N 3.31Å; T733-L735 PolarHBondContact O-N 3.27Å; T733-Q736 VanDerWaalsContact N-OE1 3.08Å; T733-Q736 PolarHBondContact O-N 2.94Å; T733-Q736 VanDerWaalsContact O-N 3.12Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.42Å; T733-Q736 PolarHBondContact OG1-N 3.09Å; T733-Q736 PolarHBondContact OG1-OE1 2.82Å; T733-R737 WeakPolarHBondContact O-CB 3.47Å; T733-R737 PolarHBondContact O-N 3.47Å; T733-V801 WeakPolarHBondContact CG2-O 3.47Å; T733-V801 PolarHBondContact OG1-O 3.37Å; T733-I1069 HydrophobicContact CG2-CD1 4.32Å
734	L	79.5	Confident	82.4	Confident	26 Å²	26	21.5 Å²	21.5	14%	0.136	11%	0.105	C	C	.	.	H	α-helix	trans	-56.7	-42.1	178.3	-66.5	176.4	0	0	0	112.6	R737 R738 Q1067 F1108	L734-R737 PolarHBondContact O-N 2.94Å; L734-R738 WeakPolarHBondContact O-CB 3.44Å; L734-R738 WeakPolarHBondContact O-CG 3.22Å; L734-R738 PolarHBondContact O-N 3.34Å; L734-Q1067 HydrophobicContact CD1-CB 4.36Å; L734-F1108 HydrophobicContact CD2-CE1 4.11Å
735	L	80.3	Confident	81.8	Confident	8 Å²	8	23.8 Å²	23.8	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-67.2	-39.8	176.4	-173.8	63	0	0	0	111.9	T733 L739 P770 V801 L1051	T733-L735 VanDerWaalsContact C-N 3.31Å; T733-L735 PolarHBondContact O-N 3.27Å; L735-L739 HydrophobicContact CD1-CD1 4.19Å; L735-L739 HydrophobicContact CD1-CG 4.33Å; L735-L739 HydrophobicContact CG-CD1 3.98Å; L735-L739 WeakPolarHBondContact O-CB 3.33Å; L735-L739 VanDerWaalsContact O-CG 3.31Å; L735-L739 WeakPolarHBondContact O-CG 3.23Å; L735-L739 PolarHBondContact O-N 3.2Å; L735-P770 HydrophobicContact CD2-CB 4.27Å; L735-P770 HydrophobicContact CD2-CG 4.1Å; L735-P770 HydrophobicContact CG-CB 4.41Å; L735-V801 HydrophobicContact CD2-CG1 3.88Å; L735-L1051 HydrophobicContact CD1-CD2 4.25Å; L735-L1051 HydrophobicContact CD1-CG 4.48Å
736	Q	86	Confident	81	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-46.9	173.1	-71.6	177	-59.6	0	0	111.2	M732 T733 R738 L739 Y740 V766 C767 P770 S803	M732-Q736 HydrophobicContact CB-CB 4Å; M732-Q736 HydrophobicContact CG-CB 4.31Å; T733-Q736 VanDerWaalsContact N-OE1 3.08Å; T733-Q736 PolarHBondContact O-N 2.94Å; T733-Q736 VanDerWaalsContact O-N 3.12Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.42Å; T733-Q736 PolarHBondContact OG1-N 3.09Å; T733-Q736 PolarHBondContact OG1-OE1 2.82Å; Q736-R738 PolarHBondContact O-N 3.49Å; Q736-L739 PolarHBondContact O-N 3.16Å; Q736-Y740 WeakPolarHBondContact O-CB 3.37Å; Q736-Y740 PolarHBondContact O-N 3.39Å; Q736-V766 HydrophobicContact CB-CG1 4.09Å; Q736-V766 HydrophobicContact CG-CG1 4.35Å; Q736-V766 WeakPolarHBondContact CG-O 3.44Å; Q736-V766 PolarHBondContact NE2-O 2.96Å; Q736-V766 WeakPolarHBondContact O-CG1 3.31Å; Q736-C767 PolarHBondContact NE2-O 2.82Å; Q736-C767 VanDerWaalsContact NE2-O 3.15Å; Q736-P770 HydrophobicContact CG-CG 4.26Å; Q736-S803 PolarHBondContact OE1-OG 2.95Å
737	R	83.1	Confident	79.7	Confident	56 Å²	56	24.8 Å²	24.8	21%	0.211	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-47.2	178.9	-169.1	-173.6	-66.7	175.3	0.8	111.6	M732 T733 L734 Y740 K741 L1039	M732-R737 HydrophobicContact CB-CB 4.46Å; T733-R737 WeakPolarHBondContact O-CB 3.47Å; T733-R737 PolarHBondContact O-N 3.47Å; L734-R737 PolarHBondContact O-N 2.94Å; R737-Y740 PolarHBondContact O-N 2.92Å; R737-K741 WeakPolarHBondContact O-CB 3.14Å; R737-K741 PolarHBondContact O-N 2.91Å; R737-L1039 HydrophobicContact CG-CD2 3.65Å
738	R	75.8	Confident	78.3	Confident	12 Å²	12	26.7 Å²	26.7	5%	0.045	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-51.6	176.7	-71.8	175.6	-177.8	168.5	-3.2	111.6	L734 Q736 Y740 K741 Y742 Y1046 D1050	L734-R738 WeakPolarHBondContact O-CB 3.44Å; L734-R738 WeakPolarHBondContact O-CG 3.22Å; L734-R738 PolarHBondContact O-N 3.34Å; Q736-R738 PolarHBondContact O-N 3.49Å; R738-Y740 VanDerWaalsContact C-N 3.32Å; R738-Y740 PolarHBondContact O-N 2.89Å; R738-K741 PolarHBondContact O-N 3.25Å; R738-Y742 HydrophobicContact CB-CE2 4.23Å; R738-Y742 WeakPolarHBondContact O-CD2 3.2Å; R738-Y742 VanDerWaalsContact O-CG 3.26Å; R738-Y742 PolarHBondContact O-N 2.68Å; R738-Y1046 HydrophobicContact CG-CD2 3.92Å; R738-Y1046 HydrophobicContact CG-CE2 4.1Å; R738-D1050 PolarHBondContact NH1-O 3.07Å
739	L	79.8	Confident	76.7	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-36.8	178	-71	170.7	0	0	0	112.9	L735 Q736 Y742 I743 V766 P770 I775	L735-L739 HydrophobicContact CD1-CD1 4.19Å; L735-L739 HydrophobicContact CD1-CG 4.33Å; L735-L739 HydrophobicContact CG-CD1 3.98Å; L735-L739 WeakPolarHBondContact O-CB 3.33Å; L735-L739 VanDerWaalsContact O-CG 3.31Å; L735-L739 WeakPolarHBondContact O-CG 3.23Å; L735-L739 PolarHBondContact O-N 3.2Å; Q736-L739 PolarHBondContact O-N 3.16Å; L739-Y742 HydrophobicContact CD2-CD2 4.47Å; L739-Y742 PolarHBondContact O-N 2.92Å; L739-I743 WeakPolarHBondContact O-CD1 3.39Å; L739-I743 VanDerWaalsContact O-CG1 3.27Å; L739-I743 WeakPolarHBondContact O-CG1 3.46Å; L739-I743 PolarHBondContact O-N 2.87Å; L739-I743 VanDerWaalsContact O-N 3.08Å; L739-V766 HydrophobicContact CB-CG1 3.98Å; L739-V766 HydrophobicContact CB-CG2 4.08Å; L739-P770 HydrophobicContact CD1-CB 3.46Å; L739-P770 VanDerWaalsContact CD1-CB 3.46Å; L739-I775 HydrophobicContact CD2-CB 4.3Å; L739-I775 HydrophobicContact CD2-CD1 3.64Å; L739-I775 HydrophobicContact CD2-CG2 4.14Å
740	Y	84.1	Confident	75.2	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-43	176	-158.6	-82.4	0	0	0	111.2	M732 Q736 R737 R738 I743 L744 L763 V766 C767 I933 L1039	M732-Y740 HydrophobicContact SD-CD2 4.05Å; M732-Y740 HydrophobicContact SD-CG 4.07Å; Q736-Y740 WeakPolarHBondContact O-CB 3.37Å; Q736-Y740 PolarHBondContact O-N 3.39Å; R737-Y740 PolarHBondContact O-N 2.92Å; R738-Y740 VanDerWaalsContact C-N 3.32Å; R738-Y740 PolarHBondContact O-N 2.89Å; Y740-I743 PolarHBondContact O-N 2.91Å; Y740-L744 HydrophobicContact CD1-CD1 3.79Å; Y740-L744 HydrophobicContact CD1-CG 4.16Å; Y740-L744 HydrophobicContact CE1-CD1 3.74Å; Y740-L744 HydrophobicContact CE1-CG 4.19Å; Y740-L744 WeakPolarHBondContact O-CG 3.27Å; Y740-L744 PolarHBondContact O-N 3.44Å; Y740-L763 HydrophobicContact CD1-CD2 3.92Å; Y740-L763 HydrophobicContact CD2-CB 4.31Å; Y740-L763 HydrophobicContact CD2-CD2 3.72Å; Y740-L763 HydrophobicContact CE1-CD2 3.88Å; Y740-L763 HydrophobicContact CE2-CB 3.64Å; Y740-L763 HydrophobicContact CE2-CD2 3.63Å; Y740-L763 HydrophobicContact CE2-CG 4.13Å; Y740-L763 HydrophobicContact CG-CD2 3.86Å; Y740-V766 HydrophobicContact CD2-CG1 4.4Å; Y740-C767 VanDerWaalsContact CE2-SG 3.52Å; Y740-I933 WeakPolarHBondContact OH-CB 3.36Å; Y740-I933 PolarHBondContact OH-N 3.4Å; Y740-L1039 HydrophobicContact CD1-CD1 3.33Å; Y740-L1039 HydrophobicContact CE1-CD1 3.67Å; Y740-L1039 HydrophobicContact CG-CD1 4.39Å
741	K	81	Confident	73.7	Confident	56 Å²	56	37.4 Å²	37.4	24%	0.243	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-46.5	173.1	-167.1	167.9	-174.1	169	0	110.8	R737 R738 I743 L744 T745 F1040	R737-K741 WeakPolarHBondContact O-CB 3.14Å; R737-K741 PolarHBondContact O-N 2.91Å; R738-K741 PolarHBondContact O-N 3.25Å; K741-I743 PolarHBondContact O-N 3.49Å; K741-L744 PolarHBondContact O-N 3.11Å; K741-L744 VanDerWaalsContact O-N 3.15Å; K741-T745 HydrophobicContact CG-CG2 4.5Å; K741-T745 WeakPolarHBondContact O-CG2 3.4Å; K741-T745 PolarHBondContact O-N 3.01Å; K741-T745 PolarHBondContact O-OG1 3.5Å; K741-F1040 HydrophobicContact CD-CE2 4.4Å; K741-F1040 HydrophobicContact CD-CZ 4.24Å; K741-F1040 VanDerWaalsContact CE-CE1 3.45Å; K741-F1040 HydrophobicContact CG-CE1 4.48Å; K741-F1040 HydrophobicContact CG-CE2 3.93Å; K741-F1040 HydrophobicContact CG-CZ 3.76Å
742	Y	77.4	Confident	72.3	Confident	33 Å²	33	46.4 Å²	46.4	13%	0.129	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-37.6	177.6	-63.8	-40.2	0	0	0	114.2	R738 L739 T745 S746 N747 E750 L1051	R738-Y742 HydrophobicContact CB-CE2 4.23Å; R738-Y742 WeakPolarHBondContact O-CD2 3.2Å; R738-Y742 VanDerWaalsContact O-CG 3.26Å; R738-Y742 PolarHBondContact O-N 2.68Å; L739-Y742 HydrophobicContact CD2-CD2 4.47Å; L739-Y742 PolarHBondContact O-N 2.92Å; Y742-T745 WeakPolarHBondContact CA-OG1 3.4Å; Y742-T745 PolarHBondContact O-OG1 3.46Å; Y742-S746 PolarHBondContact O-N 3.12Å; Y742-N747 PolarHBondContact O-N 3.3Å; Y742-E750 WeakPolarHBondContact CD1-OE2 3.45Å; Y742-E750 WeakPolarHBondContact CE1-OE2 3.2Å; Y742-E750 PolarHBondContact OH-OE1 3.06Å; Y742-E750 VanDerWaalsContact OH-OE1 3.05Å; Y742-L1051 HydrophobicContact CE2-CD1 4.24Å; Y742-L1051 HydrophobicContact CE2-CD2 4.35Å
743	I	78.5	Confident	70.6	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-69.3	-34	174.9	-66	162.7	0	0	0	111	L739 Y740 K741 L751 L756 H762 L763 V766 M773	L739-I743 WeakPolarHBondContact O-CD1 3.39Å; L739-I743 VanDerWaalsContact O-CG1 3.27Å; L739-I743 WeakPolarHBondContact O-CG1 3.46Å; L739-I743 PolarHBondContact O-N 2.87Å; L739-I743 VanDerWaalsContact O-N 3.08Å; Y740-I743 PolarHBondContact O-N 2.91Å; K741-I743 PolarHBondContact O-N 3.49Å; I743-L751 HydrophobicContact CG1-CD1 4.03Å; I743-L751 HydrophobicContact CG1-CD2 4.04Å; I743-L756 HydrophobicContact CG2-CD1 4.28Å; I743-H762 HydrophobicContact CD1-CB 4.08Å; I743-H762 HydrophobicContact CG2-CB 4.45Å; I743-L763 HydrophobicContact CB-CD2 3.76Å; I743-L763 HydrophobicContact CD1-CD2 4.48Å; I743-L763 HydrophobicContact CG2-CD2 3.44Å; I743-L763 VanDerWaalsContact CG2-CD2 3.44Å; I743-L763 HydrophobicContact CG2-CG 3.81Å; I743-V766 HydrophobicContact CD1-CG2 3.62Å; I743-M773 HydrophobicContact CD1-CE 4.45Å
744	L	77.4	Confident	68.9	Low	36 Å²	36	48.7 Å²	48.7	19%	0.188	24%	0.241	C	C	.	.	H	α-helix	trans	-75.8	-35.4	175.3	-72	179.7	0	0	0	113.5	Y740 K741 S746 L763 L1032 V1036 L1039	Y740-L744 HydrophobicContact CD1-CD1 3.79Å; Y740-L744 HydrophobicContact CD1-CG 4.16Å; Y740-L744 HydrophobicContact CE1-CD1 3.74Å; Y740-L744 HydrophobicContact CE1-CG 4.19Å; Y740-L744 WeakPolarHBondContact O-CG 3.27Å; Y740-L744 PolarHBondContact O-N 3.44Å; K741-L744 PolarHBondContact O-N 3.11Å; K741-L744 VanDerWaalsContact O-N 3.15Å; L744-S746 PolarHBondContact O-N 3.44Å; L744-L763 HydrophobicContact CD2-CD1 4.02Å; L744-L763 HydrophobicContact CD2-CD2 4.29Å; L744-L763 HydrophobicContact CG-CD2 4.26Å; L744-L1032 HydrophobicContact CD2-CD2 4.1Å; L744-V1036 HydrophobicContact CD1-CG2 4.12Å; L744-L1039 HydrophobicContact CD1-CD1 3.86Å
745	T	73.3	Confident	67.5	Low	70 Å²	70	49 Å²	49	43%	0.429	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.2	175.4	58	0	0	0	0	113.3	K741 Y742 N747 F1040	K741-T745 HydrophobicContact CG-CG2 4.5Å; K741-T745 WeakPolarHBondContact O-CG2 3.4Å; K741-T745 PolarHBondContact O-N 3.01Å; K741-T745 PolarHBondContact O-OG1 3.5Å; Y742-T745 WeakPolarHBondContact CA-OG1 3.4Å; Y742-T745 PolarHBondContact O-OG1 3.46Å; T745-N747 PolarHBondContact O-N 3.44Å; T745-F1040 HydrophobicContact CG2-CE1 4.3Å; T745-F1040 HydrophobicContact CG2-CZ 3.7Å
746	S	67.5	Low	66.3	Low	53 Å²	53	49.4 Å²	49.4	37%	0.371	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	41.6	-170.4	-74.9	0	0	0	0	112.7	Y742 L744 Y748	Y742-S746 PolarHBondContact O-N 3.12Å; L744-S746 PolarHBondContact O-N 3.44Å; S746-Y748 VanDerWaalsContact C-N 3.27Å; S746-Y748 WeakPolarHBondContact O-CD2 3.24Å; S746-Y748 WeakPolarHBondContact O-CE2 3.42Å; S746-Y748 PolarHBondContact O-N 3.09Å; S746-Y748 PolarHBondContact OG-OH 3.44Å
747	N	59.2	Low	64.7	Low	49 Å²	49	55 Å²	55	26%	0.262	27%	0.273	S	S	.	.			trans	-80.9	76.8	178.2	-163	13.6	0	0	0	111.3	Y742 T745 E749 E750 L751	Y742-N747 PolarHBondContact O-N 3.3Å; T745-N747 PolarHBondContact O-N 3.44Å; N747-E749 PolarHBondContact O-N 3.14Å; N747-E750 PolarHBondContact ND2-OE2 2.94Å; N747-E750 PolarHBondContact O-N 3.01Å; N747-L751 WeakPolarHBondContact O-CG 3.4Å; N747-L751 PolarHBondContact O-N 3.21Å
748	Y	57.4	Low	64.1	Low	88 Å²	88	57.3 Å²	57.3	35%	0.345	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-30.9	-173	-55.2	-69	0	0	0	113.7	S746 L751 R752 L756 P1778	S746-Y748 VanDerWaalsContact C-N 3.27Å; S746-Y748 WeakPolarHBondContact O-CD2 3.24Å; S746-Y748 WeakPolarHBondContact O-CE2 3.42Å; S746-Y748 PolarHBondContact O-N 3.09Å; S746-Y748 PolarHBondContact OG-OH 3.44Å; Y748-L751 PolarHBondContact O-N 2.9Å; Y748-R752 PolarHBondContact O-N 2.97Å; Y748-L756 HydrophobicContact CD1-CD1 4.33Å; Y748-L756 HydrophobicContact CE1-CD1 3.97Å; Y748-L756 HydrophobicContact CE1-CG 4.37Å; Y748-P1778 HydrophobicContact CD1-CB 3.6Å; Y748-P1778 HydrophobicContact CD1-CG 3.62Å; Y748-P1778 HydrophobicContact CD2-CB 4.21Å; Y748-P1778 HydrophobicContact CD2-CG 3.41Å; Y748-P1778 VanDerWaalsContact CD2-CG 3.41Å; Y748-P1778 HydrophobicContact CE1-CB 3.97Å; Y748-P1778 HydrophobicContact CE1-CG 3.71Å; Y748-P1778 HydrophobicContact CE2-CG 3.49Å; Y748-P1778 VanDerWaalsContact CE2-CG 3.49Å; Y748-P1778 HydrophobicContact CG-CB 3.73Å; Y748-P1778 HydrophobicContact CG-CG 3.47Å; Y748-P1778 VanDerWaalsContact CG-CG 3.47Å
749	E	52.9	Low	64	Low	172 Å²	172	58.3 Å²	58.3	80%	0.804	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-46.2	-178.3	-62.6	-179.2	-170.8	0	0	112.5	N747	N747-E749 PolarHBondContact O-N 3.14Å
750	E	53.6	Low	63.9	Low	68 Å²	68	59.3 Å²	59.3	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-76.9	-29.9	177.1	-69.8	-177.4	116.9	0	0	112.2	Y742 N747	Y742-E750 WeakPolarHBondContact CD1-OE2 3.45Å; Y742-E750 WeakPolarHBondContact CE1-OE2 3.2Å; Y742-E750 PolarHBondContact OH-OE1 3.06Å; Y742-E750 VanDerWaalsContact OH-OE1 3.05Å; N747-E750 PolarHBondContact ND2-OE2 2.94Å; N747-E750 PolarHBondContact O-N 3.01Å
751	L	54.3	Low	63.9	Low	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-74.7	-23.6	-175.3	-71.8	176.5	0	0	0	114.2	I743 N747 Y748 C753 L756 I775	I743-L751 HydrophobicContact CG1-CD1 4.03Å; I743-L751 HydrophobicContact CG1-CD2 4.04Å; N747-L751 WeakPolarHBondContact O-CG 3.4Å; N747-L751 PolarHBondContact O-N 3.21Å; Y748-L751 PolarHBondContact O-N 2.9Å; L751-C753 PolarHBondContact O-N 3.18Å; L751-C753 PolarHBondContact O-SG 3.29Å; L751-L756 HydrophobicContact CD1-CD1 3.91Å; L751-I775 HydrophobicContact CB-CD1 4.15Å; L751-I775 HydrophobicContact CD2-CD1 3.45Å; L751-I775 VanDerWaalsContact CD2-CD1 3.45Å; L751-I775 HydrophobicContact CG-CD1 4.4Å; L751-I775 WeakPolarHBondContact O-CD1 3.46Å; L751-I775 WeakPolarHBondContact O-CG1 3.26Å
752	R	52.6	Low	64	Low	213 Å²	213	60.1 Å²	60.1	80%	0.804	31%	0.31	S	S	*	.			trans	47.1	19	178.1	-62.7	-172.8	174.2	-172.1	-0.9	116	Y748	Y748-R752 PolarHBondContact O-N 2.97Å
753	C	44.5	Very low	64.4	Low	12 Å²	12	58.6 Å²	58.6	8%	0.081	30%	0.304	C	S	.	.			trans	-112.5	125.3	-177.5	-69.6	0	0	0	0	107.5	L751 M773	L751-C753 PolarHBondContact O-N 3.18Å; L751-C753 PolarHBondContact O-SG 3.29Å; C753-M773 HydrophobicContact CB-CE 4.35Å
754	G	49.1	Very low	64.9	Low	56 Å²	56	58.4 Å²	58.4	58%	0.577	30%	0.303	S	S	*	.	S	Bend	trans	-58.4	139.9	177.1	0	0	0	0	0	112.3	P1778	G754-P1778 WeakPolarHBondContact CA-O 3.44Å
755	N	50.8	Low	65.5	Low	33 Å²	33	58.7 Å²	58.7	18%	0.176	30%	0.303	C	S	.	.			trans	20.3	103.3	170.3	-122.5	-21.6	0	0	0	117.7	M757 P1778 T1806	N755-M757 PolarHBondContact O-N 2.88Å; N755-P1778 PolarHBondContact N-O 3.06Å; N755-T1806 HydrophobicContact CB-CG2 3.97Å
756	L	53.9	Low	66.2	Low	17 Å²	17	55.4 Å²	55.4	9%	0.089	28%	0.283	C	S	.	.			trans	-72.1	44.4	-179.3	-66	172.5	0	0	0	114.2	I743 Y748 L751 N758 S759 H762	I743-L756 HydrophobicContact CG2-CD1 4.28Å; Y748-L756 HydrophobicContact CD1-CD1 4.33Å; Y748-L756 HydrophobicContact CE1-CD1 3.97Å; Y748-L756 HydrophobicContact CE1-CG 4.37Å; L751-L756 HydrophobicContact CD1-CD1 3.91Å; L756-N758 CarbonylContact O-C 3.48Å; L756-N758 PolarHBondContact O-N 2.89Å; L756-S759 PolarHBondContact O-N 2.59Å; L756-H762 HydrophobicContact CD2-CB 4.1Å
757	M	52.9	Low	67.2	Low	118 Å²	118	52.9 Å²	52.9	58%	0.581	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-18.2	-177.5	-83.1	-65.9	-150.8	0	0	115.3	N755 T1806	N755-M757 PolarHBondContact O-N 2.88Å; M757-T1806 HydrophobicContact CE-CG2 4.02Å; M757-T1806 HydrophobicContact CG-CG2 3.87Å
758	N	69.5	Low	68.8	Low	104 Å²	104	50.5 Å²	50.5	56%	0.556	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	61.6	168.8	-67.9	-91.1	0	0	0	109.8	L756 I760 V761 H762	L756-N758 CarbonylContact O-C 3.48Å; L756-N758 PolarHBondContact O-N 2.89Å; N758-I760 PolarHBondContact O-N 3.3Å; N758-I760 VanDerWaalsContact O-N 3.11Å; N758-V761 HydrophobicContact CB-CB 3.96Å; N758-V761 HydrophobicContact CB-CG2 3.86Å; N758-V761 WeakPolarHBondContact O-CA 3.33Å; N758-V761 WeakPolarHBondContact O-CB 3.44Å; N758-V761 PolarHBondContact O-N 2.83Å; N758-H762 PolarHBondContact O-CD2 3.08Å; N758-H762 VanDerWaalsContact O-CD2 3.26Å; N758-H762 PolarHBondContact O-N 2.97Å
759	S	73.4	Confident	70.4	Confident	33 Å²	33	46.3 Å²	46.3	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-42.4	-46.3	177.8	57.5	0	0	0	0	112.5	L756 V761 H762 L763	L756-S759 PolarHBondContact O-N 2.59Å; S759-V761 VanDerWaalsContact C-N 3.29Å; S759-V761 PolarHBondContact O-N 3.39Å; S759-H762 CarbonylContact O-C 3.59Å; S759-H762 WeakPolarHBondContact O-CA 3.43Å; S759-H762 WeakPolarHBondContact O-CB 3.45Å; S759-H762 PolarHBondContact O-N 3.27Å; S759-L763 WeakPolarHBondContact O-CG 3.25Å; S759-L763 PolarHBondContact O-N 3.25Å
760	I	79.7	Confident	72.1	Confident	22 Å²	22	38.1 Å²	38.1	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-42.5	-49.7	169	-68.6	-178	0	0	0	113.3	N758 L763 Q764 W901 I933 L1023 M1028	N758-I760 PolarHBondContact O-N 3.3Å; N758-I760 VanDerWaalsContact O-N 3.11Å; I760-L763 PolarHBondContact O-N 3.43Å; I760-Q764 WeakPolarHBondContact O-CG 3.43Å; I760-Q764 PolarHBondContact O-N 2.9Å; I760-W901 HydrophobicContact CG2-CZ2 3.67Å; I760-I933 HydrophobicContact CB-CD1 4Å; I760-I933 HydrophobicContact CG1-CD1 3.77Å; I760-I933 HydrophobicContact CG2-CD1 3.79Å; I760-L1023 HydrophobicContact CD1-CD1 3.98Å; I760-M1028 HydrophobicContact CD1-CG 4.22Å
761	V	82.3	Confident	73.7	Confident	42 Å²	42	35.4 Å²	35.4	26%	0.255	19%	0.185	S	C	.	.	H	α-helix	trans	-73	-31.5	-178.2	178.2	0	0	0	0	111.3	N758 S759 K765 F828	N758-V761 HydrophobicContact CB-CB 3.96Å; N758-V761 HydrophobicContact CB-CG2 3.86Å; N758-V761 WeakPolarHBondContact O-CA 3.33Å; N758-V761 WeakPolarHBondContact O-CB 3.44Å; N758-V761 PolarHBondContact O-N 2.83Å; S759-V761 VanDerWaalsContact C-N 3.29Å; S759-V761 PolarHBondContact O-N 3.39Å; V761-K765 WeakPolarHBondContact O-CG 3.31Å; V761-K765 PolarHBondContact O-N 3.42Å; V761-F828 HydrophobicContact CG1-CE1 3.85Å; V761-F828 HydrophobicContact CG1-CZ 4.03Å
762	H	83.6	Confident	75.3	Confident	35 Å²	35	35.6 Å²	35.6	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-70.9	-40.4	172.8	-65.6	-87.1	0	0	0	111.9	I743 L756 N758 S759 Q764 K765 V766 M773	I743-H762 HydrophobicContact CD1-CB 4.08Å; I743-H762 HydrophobicContact CG2-CB 4.45Å; L756-H762 HydrophobicContact CD2-CB 4.1Å; N758-H762 PolarHBondContact O-CD2 3.08Å; N758-H762 VanDerWaalsContact O-CD2 3.26Å; N758-H762 PolarHBondContact O-N 2.97Å; S759-H762 CarbonylContact O-C 3.59Å; S759-H762 WeakPolarHBondContact O-CA 3.43Å; S759-H762 WeakPolarHBondContact O-CB 3.45Å; S759-H762 PolarHBondContact O-N 3.27Å; H762-Q764 PolarHBondContact O-N 3.49Å; H762-K765 WeakPolarHBondContact O-CB 3.11Å; H762-K765 PolarHBondContact O-N 2.93Å; H762-V766 PolarHBondContact O-N 3.43Å; H762-M773 HydrophobicContact CB-CE 4.31Å; H762-M773 HydrophobicContact CB-SD 4.08Å; H762-M773 WeakPolarHBondContact ND1-CE 3.39Å; H762-M773 PolarHBondContact ND1-SD 2.96Å
763	L	86.9	Confident	76.6	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-45.7	171	-65.5	175.1	0	0	0	111.1	Y740 I743 L744 S759 I760 K765 V766 C767 I933 L1032	Y740-L763 HydrophobicContact CD1-CD2 3.92Å; Y740-L763 HydrophobicContact CD2-CB 4.31Å; Y740-L763 HydrophobicContact CD2-CD2 3.72Å; Y740-L763 HydrophobicContact CE1-CD2 3.88Å; Y740-L763 HydrophobicContact CE2-CB 3.64Å; Y740-L763 HydrophobicContact CE2-CD2 3.63Å; Y740-L763 HydrophobicContact CE2-CG 4.13Å; Y740-L763 HydrophobicContact CG-CD2 3.86Å; I743-L763 HydrophobicContact CB-CD2 3.76Å; I743-L763 HydrophobicContact CD1-CD2 4.48Å; I743-L763 HydrophobicContact CG2-CD2 3.44Å; I743-L763 VanDerWaalsContact CG2-CD2 3.44Å; I743-L763 HydrophobicContact CG2-CG 3.81Å; L744-L763 HydrophobicContact CD2-CD1 4.02Å; L744-L763 HydrophobicContact CD2-CD2 4.29Å; L744-L763 HydrophobicContact CG-CD2 4.26Å; S759-L763 WeakPolarHBondContact O-CG 3.25Å; S759-L763 PolarHBondContact O-N 3.25Å; I760-L763 PolarHBondContact O-N 3.43Å; L763-K765 PolarHBondContact O-N 2.93Å; L763-V766 PolarHBondContact O-N 3.39Å; L763-C767 PolarHBondContact O-N 3.5Å; L763-C767 PolarHBondContact O-SG 3.47Å; L763-I933 HydrophobicContact CB-CG2 3.91Å; L763-I933 HydrophobicContact CD1-CD1 4.32Å; L763-L1032 HydrophobicContact CD1-CD2 3.98Å
764	Q	88.6	Confident	78.1	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-39.7	173.1	-72.2	-171	-75.9	0	0	113	I760 H762 C767 N768 R827 F828 I933 I937	I760-Q764 WeakPolarHBondContact O-CG 3.43Å; I760-Q764 PolarHBondContact O-N 2.9Å; H762-Q764 PolarHBondContact O-N 3.49Å; Q764-C767 PolarHBondContact O-N 3.13Å; Q764-N768 PolarHBondContact O-N 3.41Å; Q764-N768 VanDerWaalsContact O-N 3.16Å; Q764-R827 VanDerWaalsContact CD-NH2 3.26Å; Q764-F828 HydrophobicContact CB-CE2 4.21Å; Q764-F828 HydrophobicContact CB-CZ 4.11Å; Q764-I933 HydrophobicContact CG-CG2 4.08Å; Q764-I937 HydrophobicContact CG-CD1 3.98Å
765	K	88.8	Confident	79.2	Confident	43 Å²	43	28.8 Å²	28.8	19%	0.187	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-46.4	174.8	-80.8	178.7	170	-158.1	0	111.4	V761 H762 L763 N768 H769 L772 M773 F828	V761-K765 WeakPolarHBondContact O-CG 3.31Å; V761-K765 PolarHBondContact O-N 3.42Å; H762-K765 WeakPolarHBondContact O-CB 3.11Å; H762-K765 PolarHBondContact O-N 2.93Å; L763-K765 PolarHBondContact O-N 2.93Å; K765-N768 PolarHBondContact O-N 3.1Å; K765-H769 CarbonylContact O-C 3.59Å; K765-H769 PolarHBondContact O-N 3.41Å; K765-H769 VanDerWaalsContact O-O 3.06Å; K765-L772 HydrophobicContact CB-CB 3.99Å; K765-L772 HydrophobicContact CD-CB 4.31Å; K765-L772 HydrophobicContact CG-CB 4.1Å; K765-L772 PolarHBondContact NZ-O 3.38Å; K765-M773 HydrophobicContact CB-SD 4.38Å; K765-M773 HydrophobicContact CD-SD 4.02Å; K765-F828 HydrophobicContact CG-CD1 4.39Å; K765-F828 HydrophobicContact CG-CE1 3.71Å; K765-F828 HydrophobicContact CG-CZ 3.83Å
766	V	88.2	Confident	80.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-41.3	179.2	173.1	0	0	0	0	111.6	Q736 L739 Y740 I743 H762 L763 N768 M773	Q736-V766 HydrophobicContact CB-CG1 4.09Å; Q736-V766 HydrophobicContact CG-CG1 4.35Å; Q736-V766 WeakPolarHBondContact CG-O 3.44Å; Q736-V766 PolarHBondContact NE2-O 2.96Å; Q736-V766 WeakPolarHBondContact O-CG1 3.31Å; L739-V766 HydrophobicContact CB-CG1 3.98Å; L739-V766 HydrophobicContact CB-CG2 4.08Å; Y740-V766 HydrophobicContact CD2-CG1 4.4Å; I743-V766 HydrophobicContact CD1-CG2 3.62Å; H762-V766 PolarHBondContact O-N 3.43Å; L763-V766 PolarHBondContact O-N 3.39Å; V766-N768 PolarHBondContact O-N 3.14Å; V766-M773 HydrophobicContact CG2-CG 3.79Å
767	C	90	Very high	81.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-33.7	174.6	-64.7	0	0	0	0	113	Q736 Y740 L763 Q764 K804 T929 E934	Q736-C767 PolarHBondContact NE2-O 2.82Å; Q736-C767 VanDerWaalsContact NE2-O 3.15Å; Y740-C767 VanDerWaalsContact CE2-SG 3.52Å; L763-C767 PolarHBondContact O-N 3.5Å; L763-C767 PolarHBondContact O-SG 3.47Å; Q764-C767 PolarHBondContact O-N 3.13Å; C767-K804 WeakPolarHBondContact O-CE 3.41Å; C767-T929 HydrophobicContact CB-CG2 4.47Å; C767-E934 HydrophobicContact CB-CG 4.08Å
768	N	91.7	Very high	82.3	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-78.3	-61.2	176.7	-77.8	-24.2	0	0	0	112.6	Q764 K765 V766 L772 S802 K804 F828 M831 Y897 D898 E934	Q764-N768 PolarHBondContact O-N 3.41Å; Q764-N768 VanDerWaalsContact O-N 3.16Å; K765-N768 PolarHBondContact O-N 3.1Å; V766-N768 PolarHBondContact O-N 3.14Å; N768-L772 HydrophobicContact CB-CD1 3.9Å; N768-S802 PolarHBondContact O-OG 3.33Å; N768-K804 PolarHBondContact OD1-NZ 2.99Å; N768-F828 WeakPolarHBondContact ND2-CD2 3.5Å; N768-F828 WeakPolarHBondContact ND2-CE2 3.22Å; N768-M831 HydrophobicContact CB-SD 4.22Å; N768-Y897 HydrophobicContact CB-CD1 4.49Å; N768-Y897 HydrophobicContact CB-CE1 3.91Å; N768-Y897 PolarHBondContact O-OH 3.46Å; N768-D898 WeakPolarHBondContact ND2-CB 3.41Å; N768-E934 PolarHBondContact OD1-OE1 3.11Å
769	H	91.4	Very high	82.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.			trans	-160.9	127.5	177.8	-161.3	-82.1	0	0	0	110.8	K765 Y771 L772 L798 S802 L805 M831 L834	K765-H769 CarbonylContact O-C 3.59Å; K765-H769 PolarHBondContact O-N 3.41Å; K765-H769 VanDerWaalsContact O-O 3.06Å; H769-Y771 VanDerWaalsContact C-N 3.26Å; H769-Y771 AromaticContact CE1-CD1 3.93Å; H769-Y771 AromaticContact CE1-CD2 3.41Å; H769-Y771 VanDerWaalsContact CE1-CD2 3.41Å; H769-Y771 WeakPolarHBondContact CE1-CD2 3.47Å; H769-Y771 AromaticContact CE1-CE2 3.88Å; H769-Y771 AromaticContact CE1-CG 3.42Å; H769-Y771 VanDerWaalsContact CE1-CG 3.42Å; H769-Y771 WeakPolarHBondContact ND1-CB 3.33Å; H769-Y771 AromaticContact ND1-CD2 3.93Å; H769-Y771 AromaticContact ND1-CG 3.59Å; H769-Y771 PolarHBondContact ND1-N 3.35Å; H769-Y771 VanDerWaalsContact ND1-N 3.19Å; H769-Y771 PolarHBondContact O-N 3.37Å; H769-L772 HydrophobicContact CB-CD1 4.12Å; H769-L772 HydrophobicContact CB-CG 4.1Å; H769-L772 VanDerWaalsContact O-CB 3.27Å; H769-L772 WeakPolarHBondContact O-CB 3.44Å; H769-L772 WeakPolarHBondContact O-CG 3.45Å; H769-L772 PolarHBondContact O-N 3.35Å; H769-L798 PolarHBondContact NE2-O 3.28Å; H769-S802 WeakPolarHBondContact CD2-CB 3.32Å; H769-L805 WeakPolarHBondContact CD2-CD1 3.39Å; H769-M831 HydrophobicContact CB-CE 4.16Å; H769-M831 HydrophobicContact CB-SD 3.76Å; H769-L834 HydrophobicContact CB-CD1 3.96Å
770	P	87.9	Confident	82.2	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-65.5	-26.5	-175.4	26.9	-34.9	0	0	0	113.3	L735 Q736 L739 L772 M773 V801	L735-P770 HydrophobicContact CD2-CB 4.27Å; L735-P770 HydrophobicContact CD2-CG 4.1Å; L735-P770 HydrophobicContact CG-CB 4.41Å; Q736-P770 HydrophobicContact CG-CG 4.26Å; L739-P770 HydrophobicContact CD1-CB 3.46Å; L739-P770 VanDerWaalsContact CD1-CB 3.46Å; P770-L772 PolarHBondContact O-N 3.18Å; P770-L772 VanDerWaalsContact O-N 3.12Å; P770-M773 WeakPolarHBondContact O-CB 3.36Å; P770-M773 PolarHBondContact O-N 3.37Å; P770-V801 HydrophobicContact CG-CG1 3.24Å
771	Y	88.1	Confident	81.7	Confident	10 Å²	10	22.6 Å²	22.6	4%	0.039	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-66.8	-5.1	172	-52.6	-10.7	0	0	0	114.1	H769 M773 G776 A780 Y793 L798 V801	H769-Y771 VanDerWaalsContact C-N 3.26Å; H769-Y771 AromaticContact CE1-CD1 3.93Å; H769-Y771 AromaticContact CE1-CD2 3.41Å; H769-Y771 VanDerWaalsContact CE1-CD2 3.41Å; H769-Y771 WeakPolarHBondContact CE1-CD2 3.47Å; H769-Y771 AromaticContact CE1-CE2 3.88Å; H769-Y771 AromaticContact CE1-CG 3.42Å; H769-Y771 VanDerWaalsContact CE1-CG 3.42Å; H769-Y771 WeakPolarHBondContact ND1-CB 3.33Å; H769-Y771 AromaticContact ND1-CD2 3.93Å; H769-Y771 AromaticContact ND1-CG 3.59Å; H769-Y771 PolarHBondContact ND1-N 3.35Å; H769-Y771 VanDerWaalsContact ND1-N 3.19Å; H769-Y771 PolarHBondContact O-N 3.37Å; Y771-M773 PolarHBondContact O-N 3.42Å; Y771-G776 VanDerWaalsContact CD1-O 3.23Å; Y771-G776 WeakPolarHBondContact CD1-O 3.38Å; Y771-A780 HydrophobicContact CD1-CB 4Å; Y771-A780 HydrophobicContact CD2-CB 3.88Å; Y771-A780 HydrophobicContact CE1-CB 3.64Å; Y771-A780 HydrophobicContact CE2-CB 3.53Å; Y771-A780 HydrophobicContact CG-CB 4.13Å; Y771-A780 VanDerWaalsContact CZ-CB 3.41Å; Y771-Y793 HydrophobicContact CD2-CD1 4.21Å; Y771-Y793 HydrophobicContact CD2-CE1 4.23Å; Y771-Y793 HydrophobicContact CE2-CD1 4.23Å; Y771-Y793 HydrophobicContact CE2-CG 4.48Å; Y771-L798 HydrophobicContact CD2-CD1 3.81Å; Y771-L798 HydrophobicContact CE2-CD1 3.83Å; Y771-V801 HydrophobicContact CD1-CG1 4.38Å; Y771-V801 HydrophobicContact CE1-CG1 3.78Å
772	L	86.6	Confident	81	Confident	6 Å²	6	26.1 Å²	26.1	3%	0.031	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-75.3	-9.5	167.2	-63.9	171.9	0	0	0	112.9	K765 N768 H769 P770 M830 M831 L834	K765-L772 HydrophobicContact CB-CB 3.99Å; K765-L772 HydrophobicContact CD-CB 4.31Å; K765-L772 HydrophobicContact CG-CB 4.1Å; K765-L772 PolarHBondContact NZ-O 3.38Å; N768-L772 HydrophobicContact CB-CD1 3.9Å; H769-L772 HydrophobicContact CB-CD1 4.12Å; H769-L772 HydrophobicContact CB-CG 4.1Å; H769-L772 VanDerWaalsContact O-CB 3.27Å; H769-L772 WeakPolarHBondContact O-CB 3.44Å; H769-L772 WeakPolarHBondContact O-CG 3.45Å; H769-L772 PolarHBondContact O-N 3.35Å; P770-L772 PolarHBondContact O-N 3.18Å; P770-L772 VanDerWaalsContact O-N 3.12Å; L772-M830 HydrophobicContact CD2-CB 3.55Å; L772-M831 HydrophobicContact CD1-CB 4.39Å; L772-M831 HydrophobicContact CD1-SD 3.89Å; L772-L834 HydrophobicContact CD2-CD1 3.78Å; L772-L834 HydrophobicContact CG-CD1 4.01Å
773	M	81.9	Confident	80	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.025	14%	0.141	C	C	.	.	S	Bend	trans	-99.7	143.8	166.8	-65.4	-62.4	-67	0	0	109.7	I743 C753 H762 K765 V766 P770 Y771 I775 G776 D777	I743-M773 HydrophobicContact CD1-CE 4.45Å; C753-M773 HydrophobicContact CB-CE 4.35Å; H762-M773 HydrophobicContact CB-CE 4.31Å; H762-M773 HydrophobicContact CB-SD 4.08Å; H762-M773 WeakPolarHBondContact ND1-CE 3.39Å; H762-M773 PolarHBondContact ND1-SD 2.96Å; K765-M773 HydrophobicContact CB-SD 4.38Å; K765-M773 HydrophobicContact CD-SD 4.02Å; V766-M773 HydrophobicContact CG2-CG 3.79Å; P770-M773 WeakPolarHBondContact O-CB 3.36Å; P770-M773 PolarHBondContact O-N 3.37Å; Y771-M773 PolarHBondContact O-N 3.42Å; M773-I775 PolarHBondContact O-N 2.82Å; M773-G776 PolarHBondContact O-N 3.47Å; M773-D777 PolarHBondContact O-N 2.98Å; M773-D777 VanDerWaalsContact O-N 3.16Å
774	Q	76	Confident	78.4	Confident	117 Å²	117	34.5 Å²	34.5	55%	0.547	18%	0.177	S	C	.	.	H	α-helix	trans	-59.9	-33.3	-176.8	-67.5	168.3	-22.4	0	0	112.3	D777 S778	Q774-D777 PolarHBondContact O-N 2.91Å; Q774-S778 WeakPolarHBondContact O-CB 3.39Å; Q774-S778 PolarHBondContact O-N 2.81Å; Q774-S778 PolarHBondContact O-OG 2.83Å
775	I	71.9	Confident	76.6	Confident	16 Å²	16	40.3 Å²	40.3	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-56	-51.8	172.2	-45.8	146.2	0	0	0	110.3	L739 L751 M773 D777 S778 I779	L739-I775 HydrophobicContact CD2-CB 4.3Å; L739-I775 HydrophobicContact CD2-CD1 3.64Å; L739-I775 HydrophobicContact CD2-CG2 4.14Å; L751-I775 HydrophobicContact CB-CD1 4.15Å; L751-I775 HydrophobicContact CD2-CD1 3.45Å; L751-I775 VanDerWaalsContact CD2-CD1 3.45Å; L751-I775 HydrophobicContact CG-CD1 4.4Å; L751-I775 WeakPolarHBondContact O-CD1 3.46Å; L751-I775 WeakPolarHBondContact O-CG1 3.26Å; M773-I775 PolarHBondContact O-N 2.82Å; I775-D777 PolarHBondContact O-N 2.74Å; I775-S778 PolarHBondContact O-N 2.91Å; I775-S778 VanDerWaalsContact O-N 3.11Å; I775-S778 PolarHBondContact O-OG 3.08Å; I775-I779 HydrophobicContact CG2-CD1 3.8Å; I775-I779 WeakPolarHBondContact O-CG1 3.41Å; I775-I779 PolarHBondContact O-N 3.12Å
776	G	72.5	Confident	74.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-43.3	-177.4	0	0	0	0	0	111.8	Y771 M773 S778 I779 A780	Y771-G776 VanDerWaalsContact CD1-O 3.23Å; Y771-G776 WeakPolarHBondContact CD1-O 3.38Å; M773-G776 PolarHBondContact O-N 3.47Å; G776-S778 VanDerWaalsContact C-N 3.29Å; G776-S778 PolarHBondContact O-N 3.01Å; G776-I779 PolarHBondContact O-N 3.38Å; G776-A780 WeakPolarHBondContact O-CB 3.48Å; G776-A780 PolarHBondContact O-N 3.07Å
777	D	76.6	Confident	72.6	Confident	49 Å²	49	50 Å²	50	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-35.5	173.9	-175.5	62.8	0	0	0	112.5	M773 Q774 I775 R782 Y793	M773-D777 PolarHBondContact O-N 2.98Å; M773-D777 VanDerWaalsContact O-N 3.16Å; Q774-D777 PolarHBondContact O-N 2.91Å; I775-D777 PolarHBondContact O-N 2.74Å; D777-R782 PolarHBondContact O-NH2 2.83Å; D777-R782 IonicContact OD1-NH2 3.31Å; D777-R782 PolarHBondContact OD1-NH2 2.83Å; D777-R782 IonicContact OD2-CZ 2.86Å; D777-R782 IonicContact OD2-NH2 2.65Å; D777-R782 PolarHBondContact OD2-NH2 3.03Å; D777-Y793 VanDerWaalsContact OD1-CE1 3.27Å; D777-Y793 WeakPolarHBondContact OD1-CE1 3.44Å; D777-Y793 PolarHBondContact OD1-OH 2.79Å
778	S	71.8	Confident	70.5	Confident	81 Å²	81	58.6 Å²	58.6	57%	0.566	30%	0.302	S	S	*	.	H	α-helix	trans	-73.7	-25.2	177.1	76.7	0	0	0	0	114.4	Q774 I775 G776	Q774-S778 WeakPolarHBondContact O-CB 3.39Å; Q774-S778 PolarHBondContact O-N 2.81Å; Q774-S778 PolarHBondContact O-OG 2.83Å; I775-S778 PolarHBondContact O-N 2.91Å; I775-S778 VanDerWaalsContact O-N 3.11Å; I775-S778 PolarHBondContact O-OG 3.08Å; G776-S778 VanDerWaalsContact C-N 3.29Å; G776-S778 PolarHBondContact O-N 3.01Å
779	I	70.9	Confident	68.5	Low	28 Å²	28	64 Å²	64	14%	0.144	34%	0.335	C	S	.	.	H	α-helix	trans	-91.5	-23	177.9	-69.3	177.1	0	0	0	111.5	I775 G776 L1051 A1055	I775-I779 HydrophobicContact CG2-CD1 3.8Å; I775-I779 WeakPolarHBondContact O-CG1 3.41Å; I775-I779 PolarHBondContact O-N 3.12Å; G776-I779 PolarHBondContact O-N 3.38Å; I779-L1051 HydrophobicContact CD1-CD2 4.11Å; I779-A1055 HydrophobicContact CG2-CB 3.33Å
780	A	70.2	Confident	66.6	Low	6 Å²	6	68.5 Å²	68.5	5%	0.05	36%	0.359	C	S	.	.	S	Bend	trans	-56.6	127.3	-176.8	0	0	0	0	0	113.1	Y771 G776 R782 Y793	Y771-A780 HydrophobicContact CD1-CB 4Å; Y771-A780 HydrophobicContact CD2-CB 3.88Å; Y771-A780 HydrophobicContact CE1-CB 3.64Å; Y771-A780 HydrophobicContact CE2-CB 3.53Å; Y771-A780 HydrophobicContact CG-CB 4.13Å; Y771-A780 VanDerWaalsContact CZ-CB 3.41Å; G776-A780 WeakPolarHBondContact O-CB 3.48Å; G776-A780 PolarHBondContact O-N 3.07Å; A780-R782 WeakPolarHBondContact O-CG 3.29Å; A780-R782 PolarHBondContact O-N 2.89Å; A780-Y793 HydrophobicContact CB-CD1 3.77Å; A780-Y793 HydrophobicContact CB-CE1 3.89Å
781	P	69.1	Low	65.2	Low	31 Å²	31	69 Å²	69	20%	0.201	36%	0.364	C	S	.	.			trans	-59.2	126	170.8	-25.3	35.6	0	0	0	111.8	E794 A797 A1055	P781-E794 HydrophobicContact CB-CB 3.98Å; P781-E794 PolarHBondContact O-N 2.86Å; P781-A797 HydrophobicContact CB-CB 4.4Å; P781-A797 HydrophobicContact CG-CB 3.9Å; P781-A1055 VanDerWaalsContact CG-O 3.26Å; P781-A1055 WeakPolarHBondContact CG-O 3.46Å
782	R	68.5	Low	64.2	Low	117 Å²	117	71.8 Å²	71.8	44%	0.442	38%	0.384	S	S	.	.			trans	-111	137.2	-178.9	-56	-172	-174.5	-150.2	-6.5	110.7	D777 A780 P792	D777-R782 PolarHBondContact O-NH2 2.83Å; D777-R782 IonicContact OD1-NH2 3.31Å; D777-R782 PolarHBondContact OD1-NH2 2.83Å; D777-R782 IonicContact OD2-CZ 2.86Å; D777-R782 IonicContact OD2-NH2 2.65Å; D777-R782 PolarHBondContact OD2-NH2 3.03Å; A780-R782 WeakPolarHBondContact O-CG 3.29Å; A780-R782 PolarHBondContact O-N 2.89Å; R782-P792 WeakPolarHBondContact CA-O 3.25Å; R782-P792 WeakPolarHBondContact CB-O 3.41Å
783	L	62.2	Low	63.5	Low	68 Å²	68	73.1 Å²	73.1	36%	0.356	39%	0.388	S	S	.	.			trans	-71.2	147.9	173.5	-64.6	176.3	0	0	0	110.5	L785 N790 E794	L783-L785 PolarHBondContact O-N 3.34Å; L783-N790 HydrophobicContact CD1-CB 3.76Å; L783-E794 HydrophobicContact CD2-CB 4.25Å; L783-E794 HydrophobicContact CD2-CG 4.12Å
784	N	53	Low	63.2	Low	144 Å²	144	74.2 Å²	74.2	77%	0.77	39%	0.393	S	S	*	.			trans	-63.2	133.8	-177.4	-79.1	-61.8	0	0	0	111.7	N786	N784-N786 PolarHBondContact O-N 3.44Å
785	L	51.7	Low	63.3	Low	125 Å²	125	71.3 Å²	71.3	65%	0.654	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	10.2	-172.5	-77.9	153.7	0	0	0	117.1	L783 F1798	L783-L785 PolarHBondContact O-N 3.34Å; L785-F1798 HydrophobicContact CD1-CE2 3.82Å; L785-F1798 HydrophobicContact CD1-CZ 4.41Å
786	N	45.7	Very low	63.8	Low	136 Å²	136	75.7 Å²	75.7	73%	0.727	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-15.3	-174.2	-68.9	-46.4	0	0	0	114.4	N784	N784-N786 PolarHBondContact O-N 3.44Å
787	D	47.2	Very low	64.1	Low	110 Å²	110	75.7 Å²	75.7	59%	0.588	40%	0.403	S	S	*	.			trans	-103.5	101.2	174.1	-87.2	-44.3	0	0	0	111	T789	D787-T789 PolarHBondContact O-N 3.15Å
788	E	46.7	Very low	64.5	Low	180 Å²	180	73.4 Å²	73.4	84%	0.841	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	12.2	177.7	-58.7	-175	145.2	0	0	114.3
789	T	48.9	Very low	65.1	Low	114 Å²	114	71 Å²	71	70%	0.699	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-12.4	-172	52.1	0	0	0	0	114.4	D787	D787-T789 PolarHBondContact O-N 3.15Å
790	N	51.1	Low	65.7	Low	94 Å²	94	74.6 Å²	74.6	50%	0.503	39%	0.389	S	S	.	.	S	Bend	trans	-113.2	154.8	-175.5	-64.9	-50	0	0	0	111.8	L783	L783-N790 HydrophobicContact CD1-CB 3.76Å
791	G	58.6	Low	66.3	Low	10 Å²	10	74.9 Å²	74.9	10%	0.103	39%	0.39	C	S	.	.			trans	-67.5	165.7	178.2	0	0	0	0	0	113.7	Y793	G791-Y793 PolarHBondContact O-N 3.45Å
792	P	66.8	Low	67.2	Low	70 Å²	70	73.4 Å²	73.4	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-70.6	-15.3	-176.5	29.6	-35.2	0	0	0	114	R782	R782-P792 WeakPolarHBondContact CA-O 3.25Å; R782-P792 WeakPolarHBondContact CB-O 3.41Å
793	Y	73.1	Confident	68	Low	34 Å²	34	67.9 Å²	67.9	13%	0.133	36%	0.359	C	S	.	.	S	Bend	trans	-114.2	147	-178.9	-53.2	-64.6	0	0	0	111.3	Y771 D777 A780 G791 L798 L834	Y771-Y793 HydrophobicContact CD2-CD1 4.21Å; Y771-Y793 HydrophobicContact CD2-CE1 4.23Å; Y771-Y793 HydrophobicContact CE2-CD1 4.23Å; Y771-Y793 HydrophobicContact CE2-CG 4.48Å; D777-Y793 VanDerWaalsContact OD1-CE1 3.27Å; D777-Y793 WeakPolarHBondContact OD1-CE1 3.44Å; D777-Y793 PolarHBondContact OD1-OH 2.79Å; A780-Y793 HydrophobicContact CB-CD1 3.77Å; A780-Y793 HydrophobicContact CB-CE1 3.89Å; G791-Y793 PolarHBondContact O-N 3.45Å; Y793-L798 HydrophobicContact CD2-CD1 4.21Å; Y793-L798 HydrophobicContact CD2-CD2 4.44Å; Y793-L798 HydrophobicContact CG-CD1 4.43Å; Y793-L834 HydrophobicContact CD2-CD2 4.29Å; Y793-L834 HydrophobicContact CE2-CD2 3.64Å
794	E	75.9	Confident	69.3	Low	27 Å²	27	64.6 Å²	64.6	13%	0.126	34%	0.343	C	S	.	.			trans	-69	129.4	174.8	-169	-106.2	103.6	0	0	111.3	P781 L783 K796 A797 L798	P781-E794 HydrophobicContact CB-CB 3.98Å; P781-E794 PolarHBondContact O-N 2.86Å; L783-E794 HydrophobicContact CD2-CB 4.25Å; L783-E794 HydrophobicContact CD2-CG 4.12Å; E794-K796 PolarHBondContact O-N 2.89Å; E794-K796 WeakPolarHBondContact OE1-CA 3.27Å; E794-K796 WeakPolarHBondContact OE1-CB 3.41Å; E794-K796 PolarHBondContact OE1-N 2.66Å; E794-A797 HydrophobicContact CB-CB 4.45Å; E794-A797 PolarHBondContact O-N 2.82Å; E794-A797 PolarHBondContact OE1-N 2.93Å; E794-A797 WeakPolarHBondContact OE2-CB 3Å; E794-L798 WeakPolarHBondContact O-CB 3.44Å; E794-L798 PolarHBondContact O-N 2.97Å; E794-L798 VanDerWaalsContact O-N 3.08Å
795	P	77.9	Confident	71.2	Confident	56 Å²	56	57.8 Å²	57.8	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-32.6	-167	-27.4	35.2	0	0	0	116.9	N841	P795-N841 HydrophobicContact CB-CB 4.22Å; P795-N841 HydrophobicContact CG-CB 4.42Å
796	K	80.7	Confident	72.9	Confident	109 Å²	109	52.9 Å²	52.9	47%	0.474	28%	0.281	S	S	.	.	H	α-helix	trans	-74.2	-51.3	179	-56.6	166.1	178.1	168.2	0	109.4	E794 L798 V799 Q800 D1058	E794-K796 PolarHBondContact O-N 2.89Å; E794-K796 WeakPolarHBondContact OE1-CA 3.27Å; E794-K796 WeakPolarHBondContact OE1-CB 3.41Å; E794-K796 PolarHBondContact OE1-N 2.66Å; K796-L798 VanDerWaalsContact C-N 3.29Å; K796-L798 PolarHBondContact O-N 3.02Å; K796-V799 PolarHBondContact O-N 2.96Å; K796-Q800 WeakPolarHBondContact O-CG 3.46Å; K796-Q800 PolarHBondContact O-N 3.03Å; K796-D1058 IonicContact NZ-OD1 3.63Å; K796-D1058 PolarHBondContact NZ-OD1 3.39Å; K796-D1058 IonicContact NZ-OD2 3.62Å
797	A	80.1	Confident	74.9	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-44.9	-179	0	0	0	0	0	111.4	P781 E794 V799 Q800 V801	P781-A797 HydrophobicContact CB-CB 4.4Å; P781-A797 HydrophobicContact CG-CB 3.9Å; E794-A797 HydrophobicContact CB-CB 4.45Å; E794-A797 PolarHBondContact O-N 2.82Å; E794-A797 PolarHBondContact OE1-N 2.93Å; E794-A797 WeakPolarHBondContact OE2-CB 3Å; A797-V799 VanDerWaalsContact C-N 3.25Å; A797-V799 PolarHBondContact O-N 2.87Å; A797-Q800 PolarHBondContact O-N 3.18Å; A797-V801 WeakPolarHBondContact O-CB 3.42Å; A797-V801 WeakPolarHBondContact O-CG2 3.48Å; A797-V801 PolarHBondContact O-N 3.44Å; A797-V801 VanDerWaalsContact O-N 3.15Å
798	L	84.8	Confident	77	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-57.8	-33.2	177.7	-178.1	62.8	0	0	0	113.6	H769 Y771 Y793 E794 K796 L805 L834 Q837 V838	H769-L798 PolarHBondContact NE2-O 3.28Å; Y771-L798 HydrophobicContact CD2-CD1 3.81Å; Y771-L798 HydrophobicContact CE2-CD1 3.83Å; Y793-L798 HydrophobicContact CD2-CD1 4.21Å; Y793-L798 HydrophobicContact CD2-CD2 4.44Å; Y793-L798 HydrophobicContact CG-CD1 4.43Å; E794-L798 WeakPolarHBondContact O-CB 3.44Å; E794-L798 PolarHBondContact O-N 2.97Å; E794-L798 VanDerWaalsContact O-N 3.08Å; K796-L798 VanDerWaalsContact C-N 3.29Å; K796-L798 PolarHBondContact O-N 3.02Å; L798-L805 VanDerWaalsContact O-CD1 3.3Å; L798-L805 WeakPolarHBondContact O-CD1 3.4Å; L798-L834 HydrophobicContact CD1-CD2 4.37Å; L798-Q837 HydrophobicContact CD2-CB 4.1Å; L798-V838 HydrophobicContact CD2-CG2 3.7Å; L798-V838 HydrophobicContact CG-CG2 3.97Å
799	V	85.1	Confident	79	Confident	30 Å²	30	34.5 Å²	34.5	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-87.3	-45.6	179.2	177	0	0	0	0	111.6	K796 A797 V801 V806 M809 V838	K796-V799 PolarHBondContact O-N 2.96Å; A797-V799 VanDerWaalsContact C-N 3.25Å; A797-V799 PolarHBondContact O-N 2.87Å; V799-V801 VanDerWaalsContact C-N 3.29Å; V799-V801 PolarHBondContact O-N 2.94Å; V799-V806 HydrophobicContact CG1-CG2 4.33Å; V799-V806 VanDerWaalsContact O-CG2 3.31Å; V799-V806 WeakPolarHBondContact O-CG2 3.21Å; V799-M809 HydrophobicContact CG1-CB 4.26Å; V799-M809 HydrophobicContact CG1-CG 3.9Å; V799-M809 HydrophobicContact CG2-CG 4.23Å; V799-V838 HydrophobicContact CG2-CG1 4.32Å
800	Q	82.9	Confident	80.8	Confident	103 Å²	103	31.7 Å²	31.7	48%	0.481	17%	0.167	S	C	.	.	H	α-helix	trans	-66.8	-28.3	-174.2	-71.2	177.4	-23.4	0	0	113.5	K796 A797 S802	K796-Q800 WeakPolarHBondContact O-CG 3.46Å; K796-Q800 PolarHBondContact O-N 3.03Å; A797-Q800 PolarHBondContact O-N 3.18Å; Q800-S802 PolarHBondContact O-N 3.22Å
801	V	83.2	Confident	82.5	Confident	13 Å²	13	27.5 Å²	27.5	8%	0.079	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-20	-173.6	161.4	0	0	0	0	114	T733 L735 P770 Y771 A797 V799	T733-V801 WeakPolarHBondContact CG2-O 3.47Å; T733-V801 PolarHBondContact OG1-O 3.37Å; L735-V801 HydrophobicContact CD2-CG1 3.88Å; P770-V801 HydrophobicContact CG-CG1 3.24Å; Y771-V801 HydrophobicContact CD1-CG1 4.38Å; Y771-V801 HydrophobicContact CE1-CG1 3.78Å; A797-V801 WeakPolarHBondContact O-CB 3.42Å; A797-V801 WeakPolarHBondContact O-CG2 3.48Å; A797-V801 PolarHBondContact O-N 3.44Å; A797-V801 VanDerWaalsContact O-N 3.15Å; V799-V801 VanDerWaalsContact C-N 3.29Å; V799-V801 PolarHBondContact O-N 2.94Å
802	S	86.8	Confident	84.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.			trans	-120.5	122.3	171.6	174.1	0	0	0	0	111.6	N768 H769 Q800 K804 L805 V806	N768-S802 PolarHBondContact O-OG 3.33Å; H769-S802 WeakPolarHBondContact CD2-CB 3.32Å; Q800-S802 PolarHBondContact O-N 3.22Å; S802-K804 VanDerWaalsContact C-N 3.28Å; S802-K804 PolarHBondContact O-N 3.28Å; S802-L805 WeakPolarHBondContact O-CB 3.47Å; S802-L805 PolarHBondContact O-N 3.04Å; S802-V806 PolarHBondContact O-N 2.72Å; S802-V806 VanDerWaalsContact O-N 3.15Å
803	S	85	Confident	85.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-34.1	-179.3	53.5	0	0	0	0	112.8	V730 D731 Q736 L805 V806 V807 Y1071	V730-S803 WeakPolarHBondContact CG1-OG 3.41Å; D731-S803 WeakPolarHBondContact O-CB 3.38Å; D731-S803 PolarHBondContact O-OG 3.48Å; Q736-S803 PolarHBondContact OE1-OG 2.95Å; S803-L805 VanDerWaalsContact C-N 3.29Å; S803-L805 PolarHBondContact O-N 3.08Å; S803-V806 PolarHBondContact O-N 3.32Å; S803-V807 WeakPolarHBondContact O-CG2 3.41Å; S803-V807 PolarHBondContact O-N 3.43Å; S803-V807 VanDerWaalsContact O-N 3.09Å; S803-Y1071 WeakPolarHBondContact CA-OH 3.45Å; S803-Y1071 WeakPolarHBondContact CB-OH 3.47Å
804	K	91.3	Very high	85.7	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-35.2	171.4	-70.9	-167.2	-174.5	-174.1	0	112.5	C767 N768 S802 L808 Y897 F927 T929 E934	C767-K804 WeakPolarHBondContact O-CE 3.41Å; N768-K804 PolarHBondContact OD1-NZ 2.99Å; S802-K804 VanDerWaalsContact C-N 3.28Å; S802-K804 PolarHBondContact O-N 3.28Å; K804-L808 WeakPolarHBondContact O-CB 3.49Å; K804-L808 PolarHBondContact O-N 2.98Å; K804-Y897 HydrophobicContact CB-CE1 4.34Å; K804-Y897 HydrophobicContact CB-CE2 3.85Å; K804-Y897 VanDerWaalsContact CB-OH 3.31Å; K804-Y897 WeakPolarHBondContact CB-OH 3.35Å; K804-Y897 HydrophobicContact CD-CD1 4.31Å; K804-Y897 HydrophobicContact CD-CE1 3.88Å; K804-Y897 HydrophobicContact CD-CE2 4.45Å; K804-Y897 PolarHBondContact NZ-O 3.33Å; K804-F927 HydrophobicContact CD-CB 4.14Å; K804-F927 HydrophobicContact CG-CB 4.42Å; K804-T929 VanDerWaalsContact CE-OG1 3.24Å; K804-T929 WeakPolarHBondContact CE-OG1 3.46Å; K804-E934 VanDerWaalsContact CE-OE2 3.25Å; K804-E934 WeakPolarHBondContact CE-OE2 2.91Å; K804-E934 IonicContact NZ-OE1 2.71Å; K804-E934 PolarHBondContact NZ-OE1 2.94Å; K804-E934 IonicContact NZ-OE2 3.98Å; K804-E934 PolarHBondContact NZ-OE2 3.23Å
805	L	91.1	Very high	86.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-73.6	-37.3	176.1	-75.5	-172.6	0	0	0	112.6	H769 L798 S802 S803 L808 M809 M831 L835 V838 Y897	H769-L805 WeakPolarHBondContact CD2-CD1 3.39Å; L798-L805 VanDerWaalsContact O-CD1 3.3Å; L798-L805 WeakPolarHBondContact O-CD1 3.4Å; S802-L805 WeakPolarHBondContact O-CB 3.47Å; S802-L805 PolarHBondContact O-N 3.04Å; S803-L805 VanDerWaalsContact C-N 3.29Å; S803-L805 PolarHBondContact O-N 3.08Å; L805-L808 HydrophobicContact CD2-CD2 4.22Å; L805-L808 PolarHBondContact O-N 2.81Å; L805-M809 WeakPolarHBondContact O-CB 3.15Å; L805-M809 WeakPolarHBondContact O-CG 3.42Å; L805-M809 PolarHBondContact O-N 3.37Å; L805-M831 HydrophobicContact CD1-CE 4.44Å; L805-M831 HydrophobicContact CD2-CE 3.85Å; L805-M831 HydrophobicContact CG-CE 4.27Å; L805-L835 HydrophobicContact CD2-CD2 3.69Å; L805-V838 HydrophobicContact CD1-CG2 4.1Å; L805-Y897 HydrophobicContact CD2-CE2 4.11Å
806	V	88	Confident	86.9	Confident	22 Å²	22	31.8 Å²	31.8	13%	0.133	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-54.6	174.5	-175.1	0	0	0	0	110.3	V799 S802 S803 L808 M809 E810 Y1071	V799-V806 HydrophobicContact CG1-CG2 4.33Å; V799-V806 VanDerWaalsContact O-CG2 3.31Å; V799-V806 WeakPolarHBondContact O-CG2 3.21Å; S802-V806 PolarHBondContact O-N 2.72Å; S802-V806 VanDerWaalsContact O-N 3.15Å; S803-V806 PolarHBondContact O-N 3.32Å; V806-L808 VanDerWaalsContact C-N 3.31Å; V806-L808 PolarHBondContact O-N 2.96Å; V806-M809 PolarHBondContact O-N 2.91Å; V806-M809 VanDerWaalsContact O-N 3.12Å; V806-E810 PolarHBondContact O-N 2.83Å; V806-E810 VanDerWaalsContact O-N 3.07Å; V806-Y1071 HydrophobicContact CB-CE1 4.16Å; V806-Y1071 HydrophobicContact CB-CE2 4.14Å; V806-Y1071 HydrophobicContact CG1-CD1 4.39Å; V806-Y1071 HydrophobicContact CG1-CD2 3.94Å; V806-Y1071 HydrophobicContact CG1-CE1 4.1Å; V806-Y1071 HydrophobicContact CG1-CE2 3.63Å; V806-Y1071 HydrophobicContact CG1-CG 4.32Å; V806-Y1071 HydrophobicContact CG2-CE2 4.39Å
807	V	87.3	Confident	87.2	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-41.8	178.8	178	0	0	0	0	111.4	V728 V730 S803 L811 F927 Y1071	V728-V807 HydrophobicContact CG1-CG1 4.26Å; V730-V807 HydrophobicContact CG1-CG2 4.25Å; V730-V807 HydrophobicContact CG2-CG2 4.47Å; S803-V807 WeakPolarHBondContact O-CG2 3.41Å; S803-V807 PolarHBondContact O-N 3.43Å; S803-V807 VanDerWaalsContact O-N 3.09Å; V807-L811 WeakPolarHBondContact O-CB 3.19Å; V807-L811 PolarHBondContact O-N 3.34Å; V807-F927 HydrophobicContact CG1-CE1 3.8Å; V807-F927 HydrophobicContact CG1-CZ 4.27Å; V807-Y1071 HydrophobicContact CG2-CD1 3.89Å; V807-Y1071 HydrophobicContact CG2-CE1 3.68Å
808	L	91.9	Very high	87.4	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-42.5	176	178	60.4	0	0	0	112.5	K804 L805 V806 L811 L812 I824 L835 V895 Y897 F927	K804-L808 WeakPolarHBondContact O-CB 3.49Å; K804-L808 PolarHBondContact O-N 2.98Å; L805-L808 HydrophobicContact CD2-CD2 4.22Å; L805-L808 PolarHBondContact O-N 2.81Å; V806-L808 VanDerWaalsContact C-N 3.31Å; V806-L808 PolarHBondContact O-N 2.96Å; L808-L811 HydrophobicContact CD1-CD2 4.46Å; L808-L811 PolarHBondContact O-N 3.19Å; L808-L812 HydrophobicContact CD1-CD1 3.78Å; L808-L812 HydrophobicContact CD1-CD2 4.49Å; L808-L812 HydrophobicContact CD1-CG 3.86Å; L808-L812 HydrophobicContact CD2-CD1 4.44Å; L808-L812 HydrophobicContact CG-CD1 3.76Å; L808-L812 HydrophobicContact CG-CG 4.27Å; L808-L812 WeakPolarHBondContact O-CB 3.2Å; L808-L812 VanDerWaalsContact O-CG 3.24Å; L808-L812 WeakPolarHBondContact O-CG 3.19Å; L808-L812 PolarHBondContact O-N 3.12Å; L808-I824 HydrophobicContact CD1-CD1 4.3Å; L808-I824 HydrophobicContact CD2-CD1 4.43Å; L808-L835 HydrophobicContact CD2-CD2 3.59Å; L808-V895 HydrophobicContact CD1-CG1 4.26Å; L808-V895 HydrophobicContact CD1-CG2 4.35Å; L808-Y897 HydrophobicContact CD2-CD2 4.06Å; L808-Y897 HydrophobicContact CD2-CE2 3.92Å; L808-F927 HydrophobicContact CB-CE2 3.96Å; L808-F927 HydrophobicContact CB-CZ 4.11Å; L808-F927 HydrophobicContact CD1-CE2 4.14Å; L808-F927 HydrophobicContact CD1-CZ 4.33Å
809	M	89.8	Confident	87.6	Confident	38 Å²	38	41.6 Å²	41.6	19%	0.187	21%	0.209	C	C	.	.	H	α-helix	trans	-68.7	-37.9	-178.4	-79.6	-58.2	-61.6	0	0	112.5	V799 L805 V806 R813 V838 A842 Y844	V799-M809 HydrophobicContact CG1-CB 4.26Å; V799-M809 HydrophobicContact CG1-CG 3.9Å; V799-M809 HydrophobicContact CG2-CG 4.23Å; L805-M809 WeakPolarHBondContact O-CB 3.15Å; L805-M809 WeakPolarHBondContact O-CG 3.42Å; L805-M809 PolarHBondContact O-N 3.37Å; V806-M809 PolarHBondContact O-N 2.91Å; V806-M809 VanDerWaalsContact O-N 3.12Å; M809-R813 WeakPolarHBondContact O-CB 3.3Å; M809-R813 PolarHBondContact O-N 3.23Å; M809-V838 HydrophobicContact CE-CG1 4.49Å; M809-V838 HydrophobicContact CG-CG1 4.12Å; M809-V838 HydrophobicContact SD-CG1 3.43Å; M809-V838 WeakPolarHBondContact SD-CG1 3.31Å; M809-A842 HydrophobicContact CE-CB 3.72Å; M809-Y844 HydrophobicContact CE-CE2 4.24Å
810	E	84.9	Confident	87.8	Confident	55 Å²	55	41.3 Å²	41.3	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-70.8	-39.4	175.4	-63.7	-161.6	101.4	0	0	112.2	V806 R813 G814 I1076	V806-E810 PolarHBondContact O-N 2.83Å; V806-E810 VanDerWaalsContact O-N 3.07Å; E810-R813 PolarHBondContact O-N 2.61Å; E810-R813 IonicContact OE1-NH2 2.71Å; E810-G814 PolarHBondContact O-N 2.87Å; E810-I1076 HydrophobicContact CB-CD1 4.02Å; E810-I1076 HydrophobicContact CB-CG2 4.41Å; E810-I1076 WeakPolarHBondContact OE2-CD1 3.37Å
811	L	87.9	Confident	88.3	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-43.8	173.7	177.9	142	0	0	0	112.1	V807 L808 R813 G814 L815 V895 Y925	V807-L811 WeakPolarHBondContact O-CB 3.19Å; V807-L811 PolarHBondContact O-N 3.34Å; L808-L811 HydrophobicContact CD1-CD2 4.46Å; L808-L811 PolarHBondContact O-N 3.19Å; L811-R813 VanDerWaalsContact C-N 3.34Å; L811-R813 PolarHBondContact O-N 2.93Å; L811-G814 PolarHBondContact O-N 2.91Å; L811-L815 HydrophobicContact CD2-CD1 3.51Å; L811-L815 HydrophobicContact CD2-CG 4.48Å; L811-L815 HydrophobicContact CG-CD1 4.13Å; L811-L815 VanDerWaalsContact O-CG 3.32Å; L811-L815 WeakPolarHBondContact O-CG 3.26Å; L811-L815 PolarHBondContact O-N 3.47Å; L811-V895 HydrophobicContact CD2-CG2 4.21Å; L811-Y925 HydrophobicContact CD1-CD1 3.89Å; L811-Y925 HydrophobicContact CD1-CD2 4.04Å; L811-Y925 HydrophobicContact CD1-CE1 3.88Å; L811-Y925 HydrophobicContact CD1-CE2 4.03Å; L811-Y925 HydrophobicContact CD1-CG 3.96Å; L811-Y925 HydrophobicContact CD2-CD2 4.42Å; L811-Y925 HydrophobicContact CD2-CE2 4.47Å
812	L	91.4	Very high	88.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-37.2	175	-74.4	169.8	0	0	0	112.2	L808 G814 L815 F816 V822 I824 M839 Y844 F873 I874	L808-L812 HydrophobicContact CD1-CD1 3.78Å; L808-L812 HydrophobicContact CD1-CD2 4.49Å; L808-L812 HydrophobicContact CD1-CG 3.86Å; L808-L812 HydrophobicContact CD2-CD1 4.44Å; L808-L812 HydrophobicContact CG-CD1 3.76Å; L808-L812 HydrophobicContact CG-CG 4.27Å; L808-L812 WeakPolarHBondContact O-CB 3.2Å; L808-L812 VanDerWaalsContact O-CG 3.24Å; L808-L812 WeakPolarHBondContact O-CG 3.19Å; L808-L812 PolarHBondContact O-N 3.12Å; L812-G814 VanDerWaalsContact C-N 3.32Å; L812-G814 PolarHBondContact O-N 3.19Å; L812-L815 PolarHBondContact O-N 3.16Å; L812-F816 VanDerWaalsContact O-CB 3.31Å; L812-F816 WeakPolarHBondContact O-CB 3.33Å; L812-F816 PolarHBondContact O-N 3.41Å; L812-V822 HydrophobicContact CD2-CB 4.28Å; L812-V822 HydrophobicContact CD2-CG1 4.07Å; L812-V822 HydrophobicContact CD2-CG2 4.13Å; L812-I824 HydrophobicContact CD1-CD1 4.24Å; L812-I824 HydrophobicContact CD2-CD1 4.39Å; L812-M839 HydrophobicContact CD1-CE 3.78Å; L812-M839 HydrophobicContact CD1-SD 4.2Å; L812-Y844 HydrophobicContact CB-CE2 4.37Å; L812-F873 HydrophobicContact CD2-CE1 4.14Å; L812-F873 HydrophobicContact CD2-CZ 4.29Å; L812-I874 HydrophobicContact CD1-CD1 4.08Å; L812-I874 HydrophobicContact CD2-CD1 3.96Å; L812-I874 HydrophobicContact CD2-CG1 4.31Å
813	R	87.6	Confident	89.1	Confident	156 Å²	156	37.9 Å²	37.9	59%	0.589	19%	0.187	S	C	*	.	H	α-helix	trans	-61.3	-40	175.2	-177.9	178.3	63.1	141.4	-6.9	111.8	M809 E810 L811	M809-R813 WeakPolarHBondContact O-CB 3.3Å; M809-R813 PolarHBondContact O-N 3.23Å; E810-R813 PolarHBondContact O-N 2.61Å; E810-R813 IonicContact OE1-NH2 2.71Å; L811-R813 VanDerWaalsContact C-N 3.34Å; L811-R813 PolarHBondContact O-N 2.93Å
814	G	85.5	Confident	89.6	Confident	14 Å²	14	37.9 Å²	37.9	14%	0.144	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-55.9	172.4	0	0	0	0	0	111.9	E810 L811 L812 F816 V817 D818	E810-G814 PolarHBondContact O-N 2.87Å; L811-G814 PolarHBondContact O-N 2.91Å; L812-G814 VanDerWaalsContact C-N 3.32Å; L812-G814 PolarHBondContact O-N 3.19Å; G814-F816 PolarHBondContact O-N 2.89Å; G814-F816 VanDerWaalsContact O-N 3.08Å; G814-V817 WeakPolarHBondContact O-CB 3.47Å; G814-V817 PolarHBondContact O-N 3.46Å; G814-D818 PolarHBondContact O-N 3.43Å
815	L	89.8	Confident	89.7	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-24.7	-177.9	-67.3	173.1	0	0	0	114.6	L811 L812 H820 V822 F873 T893 L1080 R1082	L811-L815 HydrophobicContact CD2-CD1 3.51Å; L811-L815 HydrophobicContact CD2-CG 4.48Å; L811-L815 HydrophobicContact CG-CD1 4.13Å; L811-L815 VanDerWaalsContact O-CG 3.32Å; L811-L815 WeakPolarHBondContact O-CG 3.26Å; L811-L815 PolarHBondContact O-N 3.47Å; L812-L815 PolarHBondContact O-N 3.16Å; L815-H820 HydrophobicContact CB-CB 4.29Å; L815-H820 HydrophobicContact CD2-CB 4.08Å; L815-H820 PolarHBondContact O-N 3.26Å; L815-H820 VanDerWaalsContact O-N 3.16Å; L815-V822 HydrophobicContact CB-CG2 4.3Å; L815-V822 HydrophobicContact CD1-CG2 3.88Å; L815-F873 HydrophobicContact CB-CE2 4.46Å; L815-F873 HydrophobicContact CB-CZ 4.15Å; L815-T893 HydrophobicContact CD1-CG2 3.71Å; L815-T893 HydrophobicContact CD2-CG2 4.14Å; L815-L1080 HydrophobicContact CD2-CD2 4.35Å; L815-L1080 HydrophobicContact CG-CD2 4.27Å; L815-R1082 VanDerWaalsContact CD2-NH2 3.28Å
816	F	89	Confident	89.8	Confident	116 Å²	116	37.9 Å²	37.9	51%	0.509	19%	0.187	S	C	.	.	H	α-helix	trans	-75.8	-30	174.9	-174.3	-105.4	0	0	0	113.1	L812 G814 Y844 F873	L812-F816 VanDerWaalsContact O-CB 3.31Å; L812-F816 WeakPolarHBondContact O-CB 3.33Å; L812-F816 PolarHBondContact O-N 3.41Å; G814-F816 PolarHBondContact O-N 2.89Å; G814-F816 VanDerWaalsContact O-N 3.08Å; F816-Y844 HydrophobicContact CB-CE1 4.09Å; F816-Y844 HydrophobicContact CD1-CE1 4.04Å; F816-Y844 HydrophobicContact CD2-CD1 4.05Å; F816-Y844 AromaticContact CD2-CE1 3.83Å; F816-Y844 HydrophobicContact CD2-CE1 3.83Å; F816-Y844 HydrophobicContact CE1-CE1 4.45Å; F816-Y844 HydrophobicContact CE2-CD1 4.21Å; F816-Y844 HydrophobicContact CE2-CE1 4.26Å; F816-Y844 HydrophobicContact CG-CD1 4.39Å; F816-Y844 AromaticContact CG-CE1 3.7Å; F816-Y844 HydrophobicContact CG-CE1 3.7Å; F816-F873 HydrophobicContact CB-CE1 3.82Å; F816-F873 HydrophobicContact CB-CE2 4.16Å; F816-F873 HydrophobicContact CB-CZ 3.61Å; F816-F873 HydrophobicContact CD2-CB 4.49Å; F816-F873 AromaticContact CD2-CD1 3.67Å; F816-F873 HydrophobicContact CD2-CD1 3.67Å; F816-F873 HydrophobicContact CD2-CD2 4.04Å; F816-F873 AromaticContact CD2-CE1 3.82Å; F816-F873 HydrophobicContact CD2-CE1 3.82Å; F816-F873 HydrophobicContact CD2-CE2 4.16Å; F816-F873 AromaticContact CD2-CG 3.83Å; F816-F873 HydrophobicContact CD2-CG 3.83Å; F816-F873 HydrophobicContact CD2-CZ 4.07Å; F816-F873 HydrophobicContact CE2-CD1 4.41Å; F816-F873 HydrophobicContact CE2-CG 4.41Å; F816-F873 HydrophobicContact CG-CE1 4.26Å; F816-F873 HydrophobicContact CG-CZ 4.36Å
817	V	88.4	Confident	89.9	Confident	117 Å²	117	39.1 Å²	39.1	71%	0.709	19%	0.189	S	C	*	.	H	α-helix	trans	-72.6	-33.7	174.7	173.4	0	0	0	0	110.9	G814	G814-V817 WeakPolarHBondContact O-CB 3.47Å; G814-V817 PolarHBondContact O-N 3.46Å
818	D	84.7	Confident	90	Very high	86 Å²	86	40.3 Å²	40.3	46%	0.46	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	6.6	-175.7	-61	-34.3	0	0	0	114.6	G814 H820	G814-D818 PolarHBondContact O-N 3.43Å; D818-H820 VanDerWaalsContact CB-CD2 3.4Å; D818-H820 WeakPolarHBondContact CB-CD2 3.17Å; D818-H820 WeakPolarHBondContact CB-NE2 3.25Å; D818-H820 PolarHBondContact O-N 3.32Å
819	D	87.5	Confident	89.9	Confident	115 Å²	115	42.9 Å²	42.9	62%	0.615	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	52.3	-177.1	-169.5	47.2	0	0	0	114.3	K920	D819-K920 PolarHBondContact O-NZ 2.87Å
820	H	90.6	Very high	89.9	Confident	23 Å²	23	45.6 Å²	45.6	11%	0.106	22%	0.223	C	C	.	.			trans	-90.5	160.2	169.4	-66.9	-58.7	0	0	0	111.6	L815 D818 F873 D892 R1082	L815-H820 HydrophobicContact CB-CB 4.29Å; L815-H820 HydrophobicContact CD2-CB 4.08Å; L815-H820 PolarHBondContact O-N 3.26Å; L815-H820 VanDerWaalsContact O-N 3.16Å; D818-H820 VanDerWaalsContact CB-CD2 3.4Å; D818-H820 WeakPolarHBondContact CB-CD2 3.17Å; D818-H820 WeakPolarHBondContact CB-NE2 3.25Å; D818-H820 PolarHBondContact O-N 3.32Å; H820-F873 WeakPolarHBondContact O-CD2 3.26Å; H820-F873 WeakPolarHBondContact O-CE2 3.39Å; H820-D892 IonicContact CE1-OD2 3.43Å; H820-D892 PolarHBondContact CE1-OD2 2.7Å; H820-D892 IonicContact CG-OD1 3.15Å; H820-D892 IonicContact CG-OD2 2.72Å; H820-D892 IonicContact ND1-OD1 2.65Å; H820-D892 IonicContact ND1-OD2 3.73Å; H820-D892 PolarHBondContact ND1-OD2 3.49Å; H820-R1082 PolarHBondContact CD2-NH2 3.28Å; H820-R1082 VanDerWaalsContact CD2-NH2 3.27Å; H820-R1082 PolarHBondContact CE1-NH1 3.31Å; H820-R1082 VanDerWaalsContact CE1-NH1 3.26Å; H820-R1082 PolarHBondContact CE1-NH2 3.38Å; H820-R1082 PolarHBondContact ND1-NH1 3.02Å; H820-R1082 PolarHBondContact ND1-NH2 3.19Å; H820-R1082 VanDerWaalsContact NE2-CZ 3.28Å; H820-R1082 PolarHBondContact NE2-NE 3.24Å; H820-R1082 PolarHBondContact NE2-NH2 2.8Å
821	R	91.5	Very high	90.3	Very high	45 Å²	45	43 Å²	43	17%	0.17	21%	0.211	C	C	.	.			trans	-117.9	123.1	174.8	-76.1	-170.1	-168.2	177	11.8	109.6	F865 A867 P868 A891 D892 T893	R821-F865 HydrophobicContact CB-CZ 4.17Å; R821-F865 PolarHBondContact NH1-O 2.98Å; R821-A867 PolarHBondContact NH1-O 2.84Å; R821-P868 PolarHBondContact NH2-O 3.1Å; R821-A891 HydrophobicContact CB-CB 4.29Å; R821-A891 WeakPolarHBondContact O-CB 3.5Å; R821-D892 PolarHBondContact N-OD1 3.4Å; R821-D892 PolarHBondContact O-N 3.26Å; R821-T893 PolarHBondContact O-N 2.95Å
822	V	93.9	Very high	90.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.3	-163	-167.7	0	0	0	0	111.9	L812 L815 I824 F873 I874 F875 T893 V895	L812-V822 HydrophobicContact CD2-CB 4.28Å; L812-V822 HydrophobicContact CD2-CG1 4.07Å; L812-V822 HydrophobicContact CD2-CG2 4.13Å; L815-V822 HydrophobicContact CB-CG2 4.3Å; L815-V822 HydrophobicContact CD1-CG2 3.88Å; V822-I824 HydrophobicContact CG1-CG1 4.07Å; V822-F873 HydrophobicContact CG2-CE2 3.87Å; V822-F873 HydrophobicContact CG2-CZ 3.97Å; V822-F873 PolarHBondContact N-O 3.42Å; V822-I874 CarbonylContact O-C 3.59Å; V822-I874 WeakPolarHBondContact O-CA 3.4Å; V822-F875 PolarHBondContact O-N 3.33Å; V822-T893 WeakPolarHBondContact CA-O 3.19Å; V822-V895 HydrophobicContact CG1-CG2 4.05Å
823	L	94.6	Very high	90.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128	164.7	-51.4	-171.9	0	0	0	109.1	F825 F865 F875 L877 L888 A891 T893 V894 V895 A913	L823-F825 HydrophobicContact CB-CD2 4.3Å; L823-F825 HydrophobicContact CB-CE2 3.77Å; L823-F825 HydrophobicContact CB-CZ 4.44Å; L823-F825 HydrophobicContact CD1-CE2 3.94Å; L823-F825 HydrophobicContact CD1-CZ 4.07Å; L823-F865 HydrophobicContact CD2-CE1 4.08Å; L823-F865 HydrophobicContact CD2-CZ 4.05Å; L823-F875 HydrophobicContact CD2-CB 3.57Å; L823-F875 HydrophobicContact CD2-CD2 4.48Å; L823-F875 HydrophobicContact CD2-CG 4.29Å; L823-L877 HydrophobicContact CB-CD1 4.25Å; L823-L877 HydrophobicContact CD1-CD1 4.22Å; L823-L877 HydrophobicContact CD2-CD1 4.25Å; L823-L877 HydrophobicContact CG-CD1 4.47Å; L823-L888 HydrophobicContact CD1-CB 4.12Å; L823-L888 HydrophobicContact CD1-CD1 3.9Å; L823-L888 HydrophobicContact CD2-CB 4.42Å; L823-L888 HydrophobicContact CD2-CD1 3.93Å; L823-A891 HydrophobicContact CD1-CB 4.1Å; L823-A891 HydrophobicContact CD2-CB 3.46Å; L823-A891 VanDerWaalsContact CD2-CB 3.46Å; L823-A891 HydrophobicContact CG-CB 3.51Å; L823-T893 PolarHBondContact N-O 3.08Å; L823-V894 HydrophobicContact CB-CG1 4.38Å; L823-V894 HydrophobicContact CB-CG2 4.36Å; L823-V894 HydrophobicContact CD1-CG2 4.33Å; L823-V894 HydrophobicContact CG-CG2 4.49Å; L823-V894 CarbonylContact O-C 3.58Å; L823-V894 WeakPolarHBondContact O-CA 3.33Å; L823-V895 PolarHBondContact O-N 3.4Å; L823-A913 HydrophobicContact CD1-CB 3.95Å
824	I	94.9	Very high	90.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.6	172.9	-53.4	177	0	0	0	108	L808 L812 V822 L835 M839 I874 F875 L876 L877 V895	L808-I824 HydrophobicContact CD1-CD1 4.3Å; L808-I824 HydrophobicContact CD2-CD1 4.43Å; L812-I824 HydrophobicContact CD1-CD1 4.24Å; L812-I824 HydrophobicContact CD2-CD1 4.39Å; V822-I824 HydrophobicContact CG1-CG1 4.07Å; I824-L835 HydrophobicContact CG2-CD1 4.03Å; I824-M839 HydrophobicContact CD1-CE 3.8Å; I824-I874 HydrophobicContact CD1-CG2 3.75Å; I824-I874 HydrophobicContact CG1-CG2 4.16Å; I824-F875 PolarHBondContact N-O 3.44Å; I824-L876 HydrophobicContact CB-CD2 4.09Å; I824-L876 HydrophobicContact CD1-CD2 4.11Å; I824-L877 PolarHBondContact O-N 3.4Å; I824-V895 HydrophobicContact CG1-CB 4.39Å
825	F	93.4	Very high	91	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.1	176	-67.2	-86.8	0	0	0	111.1	L823 L877 T879 V894 V895 L896 Y897 A909	L823-F825 HydrophobicContact CB-CD2 4.3Å; L823-F825 HydrophobicContact CB-CE2 3.77Å; L823-F825 HydrophobicContact CB-CZ 4.44Å; L823-F825 HydrophobicContact CD1-CE2 3.94Å; L823-F825 HydrophobicContact CD1-CZ 4.07Å; F825-L877 VanDerWaalsContact CA-O 3.31Å; F825-L877 WeakPolarHBondContact CA-O 3.47Å; F825-L877 HydrophobicContact CD1-CB 3.49Å; F825-L877 VanDerWaalsContact CD1-CB 3.49Å; F825-L877 HydrophobicContact CD1-CD1 4.12Å; F825-L877 HydrophobicContact CD1-CG 4.44Å; F825-L877 HydrophobicContact CE1-CB 3.57Å; F825-L877 HydrophobicContact CE1-CD1 3.41Å; F825-L877 VanDerWaalsContact CE1-CD1 3.41Å; F825-L877 HydrophobicContact CE1-CG 4.08Å; F825-L877 HydrophobicContact CE2-CD1 4.12Å; F825-L877 HydrophobicContact CG-CB 4.25Å; F825-L877 HydrophobicContact CZ-CB 4.38Å; F825-L877 HydrophobicContact CZ-CD1 3.41Å; F825-L877 VanDerWaalsContact CZ-CD1 3.41Å; F825-T879 HydrophobicContact CB-CG2 3.98Å; F825-V894 HydrophobicContact CD2-CG1 3.54Å; F825-V894 HydrophobicContact CE2-CG1 3.55Å; F825-V895 PolarHBondContact N-O 3.01Å; F825-L896 HydrophobicContact CB-CD2 3.93Å; F825-L896 HydrophobicContact CD2-CD2 3.99Å; F825-L896 HydrophobicContact CG-CD2 4.24Å; F825-Y897 WeakPolarHBondContact O-CB 3.37Å; F825-Y897 PolarHBondContact O-N 2.93Å; F825-A909 HydrophobicContact CD1-CB 3.93Å; F825-A909 HydrophobicContact CE1-CB 3.64Å; F825-A909 HydrophobicContact CE2-CB 4.37Å; F825-A909 HydrophobicContact CG-CB 4.41Å; F825-A909 HydrophobicContact CZ-CB 3.87Å
826	S	93.2	Very high	91.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151	164.6	-179.7	0	0	0	0	111.3	F828 L877 S878 T879 D898	S826-F828 PolarHBondContact OG-N 3.42Å; S826-L877 PolarHBondContact N-O 2.94Å; S826-L877 VanDerWaalsContact N-O 3.1Å; S826-S878 CarbonylContact O-C 3.46Å; S826-S878 VanDerWaalsContact O-CA 3.25Å; S826-S878 WeakPolarHBondContact O-CA 3.17Å; S826-T879 PolarHBondContact O-N 2.96Å; S826-D898 WeakPolarHBondContact CA-OD1 3.36Å; S826-D898 WeakPolarHBondContact CB-OD1 3.42Å; S826-D898 PolarHBondContact OG-OD1 3.29Å
827	R	89.9	Confident	91	Very high	47 Å²	47	36.3 Å²	36.3	18%	0.177	19%	0.187	C	C	.	.	S	Bend	trans	-78.6	-28.8	175.1	-168	-175.5	59.2	136.3	-0.6	112.2	Q764 D898 D900	Q764-R827 VanDerWaalsContact CD-NH2 3.26Å; R827-D898 VanDerWaalsContact CB-OD2 3.25Å; R827-D898 WeakPolarHBondContact CB-OD2 3.44Å; R827-D898 PolarHBondContact N-OD1 2.91Å; R827-D898 IonicContact NE-OD2 3.26Å; R827-D900 WeakPolarHBondContact CD-OD2 3.21Å
828	F	89.4	Confident	91	Very high	27 Å²	27	30.9 Å²	30.9	12%	0.118	15%	0.154	C	C	.	.			trans	-92.5	116.6	-177.8	-67.5	-85.2	0	0	0	111.3	V761 Q764 K765 N768 S826 M830 M831 L832 D898	V761-F828 HydrophobicContact CG1-CE1 3.85Å; V761-F828 HydrophobicContact CG1-CZ 4.03Å; Q764-F828 HydrophobicContact CB-CE2 4.21Å; Q764-F828 HydrophobicContact CB-CZ 4.11Å; K765-F828 HydrophobicContact CG-CD1 4.39Å; K765-F828 HydrophobicContact CG-CE1 3.71Å; K765-F828 HydrophobicContact CG-CZ 3.83Å; N768-F828 WeakPolarHBondContact ND2-CD2 3.5Å; N768-F828 WeakPolarHBondContact ND2-CE2 3.22Å; S826-F828 PolarHBondContact OG-N 3.42Å; F828-M830 PolarHBondContact O-N 2.74Å; F828-M831 HydrophobicContact CB-CB 4.01Å; F828-M831 WeakPolarHBondContact O-CB 3.43Å; F828-M831 PolarHBondContact O-N 3.01Å; F828-L832 PolarHBondContact O-N 3.49Å; F828-D898 VanDerWaalsContact CD2-OD2 3.29Å; F828-D898 WeakPolarHBondContact CD2-OD2 3.34Å
829	T	90.3	Very high	91.3	Very high	56 Å²	56	26.8 Å²	26.8	34%	0.344	13%	0.132	S	C	.	.	H	α-helix	trans	-61.9	-31.6	175.9	55	0	0	0	0	112.9	M831 L832 D833 D850	T829-M831 VanDerWaalsContact C-N 3.26Å; T829-M831 PolarHBondContact O-N 3.27Å; T829-L832 WeakPolarHBondContact O-CA 3.31Å; T829-L832 WeakPolarHBondContact O-CB 3.41Å; T829-L832 PolarHBondContact O-N 2.79Å; T829-L832 VanDerWaalsContact O-N 3.09Å; T829-D833 PolarHBondContact O-N 2.98Å; T829-D850 HydrophobicContact CG2-CB 4.45Å
830	M	89.2	Confident	91.3	Very high	94 Å²	94	24.9 Å²	24.9	46%	0.463	12%	0.121	S	C	.	.	H	α-helix	trans	-65.2	-27	173.4	-65.7	176.9	72.1	0	0	113	L772 F828 D833 L834	L772-M830 HydrophobicContact CD2-CB 3.55Å; F828-M830 PolarHBondContact O-N 2.74Å; M830-D833 WeakPolarHBondContact CA-OD2 3.26Å; M830-D833 WeakPolarHBondContact O-CB 3.34Å; M830-D833 PolarHBondContact O-N 2.98Å; M830-L834 PolarHBondContact O-N 3.39Å; M830-L834 VanDerWaalsContact O-N 3.13Å
831	M	93.1	Very high	91	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73	-32.9	172.6	-168.5	66.3	-141.4	0	0	110.8	N768 H769 L772 L805 F828 T829 D833 L834 L835 Y897	N768-M831 HydrophobicContact CB-SD 4.22Å; H769-M831 HydrophobicContact CB-CE 4.16Å; H769-M831 HydrophobicContact CB-SD 3.76Å; L772-M831 HydrophobicContact CD1-CB 4.39Å; L772-M831 HydrophobicContact CD1-SD 3.89Å; L805-M831 HydrophobicContact CD1-CE 4.44Å; L805-M831 HydrophobicContact CD2-CE 3.85Å; L805-M831 HydrophobicContact CG-CE 4.27Å; F828-M831 HydrophobicContact CB-CB 4.01Å; F828-M831 WeakPolarHBondContact O-CB 3.43Å; F828-M831 PolarHBondContact O-N 3.01Å; T829-M831 VanDerWaalsContact C-N 3.26Å; T829-M831 PolarHBondContact O-N 3.27Å; M831-D833 VanDerWaalsContact C-N 3.34Å; M831-L834 HydrophobicContact CE-CB 4.41Å; M831-L834 PolarHBondContact O-N 2.99Å; M831-L834 HydrophobicContact SD-CD1 4.43Å; M831-L835 HydrophobicContact CE-CD2 4.24Å; M831-L835 HydrophobicContact CE-CG 3.95Å; M831-L835 HydrophobicContact CG-CD1 4.26Å; M831-L835 WeakPolarHBondContact O-CB 3.4Å; M831-L835 VanDerWaalsContact O-CG 3.28Å; M831-L835 WeakPolarHBondContact O-CG 3.35Å; M831-L835 PolarHBondContact O-N 3.43Å; M831-Y897 HydrophobicContact CE-CE1 3.71Å; M831-Y897 HydrophobicContact CE-CE2 4.37Å; M831-Y897 WeakPolarHBondContact CE-OH 3.38Å; M831-Y897 HydrophobicContact CG-CD1 4Å; M831-Y897 HydrophobicContact CG-CE1 3.86Å; M831-Y897 HydrophobicContact SD-CE1 3.78Å
832	L	92.8	Very high	90.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-37.1	170.8	-52.3	178.7	0	0	0	111.3	F828 T829 L835 E836 D850 L876	F828-L832 PolarHBondContact O-N 3.49Å; T829-L832 WeakPolarHBondContact O-CA 3.31Å; T829-L832 WeakPolarHBondContact O-CB 3.41Å; T829-L832 PolarHBondContact O-N 2.79Å; T829-L832 VanDerWaalsContact O-N 3.09Å; L832-L835 HydrophobicContact CD2-CD1 4.35Å; L832-L835 PolarHBondContact O-N 3.45Å; L832-E836 VanDerWaalsContact O-CB 3.24Å; L832-E836 WeakPolarHBondContact O-CB 3.44Å; L832-E836 PolarHBondContact O-N 2.69Å; L832-D850 HydrophobicContact CD1-CB 4.48Å; L832-L876 HydrophobicContact CD2-CB 4.43Å
833	D	91.3	Very high	90.3	Very high	53 Å²	53	36.5 Å²	36.5	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-61.3	-40.3	173.4	-60.5	-39.6	0	0	0	111.7	T829 M830 M831 Q837 R848	T829-D833 PolarHBondContact O-N 2.98Å; M830-D833 WeakPolarHBondContact CA-OD2 3.26Å; M830-D833 WeakPolarHBondContact O-CB 3.34Å; M830-D833 PolarHBondContact O-N 2.98Å; M831-D833 VanDerWaalsContact C-N 3.34Å; D833-Q837 PolarHBondContact O-N 2.74Å; D833-R848 IonicContact OD1-CZ 3.23Å; D833-R848 IonicContact OD1-NH1 3.94Å; D833-R848 PolarHBondContact OD1-NH1 3.15Å; D833-R848 IonicContact OD1-NH2 3.73Å; D833-R848 PolarHBondContact OD1-NH2 3.41Å
834	L	91.1	Very high	90.1	Very high	11 Å²	11	38 Å²	38	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-72	-44.7	174.5	-67.2	178.3	0	0	0	112.9	H769 L772 Y793 L798 M830 M831 E836 Q837 V838	H769-L834 HydrophobicContact CB-CD1 3.96Å; L772-L834 HydrophobicContact CD2-CD1 3.78Å; L772-L834 HydrophobicContact CG-CD1 4.01Å; Y793-L834 HydrophobicContact CD2-CD2 4.29Å; Y793-L834 HydrophobicContact CE2-CD2 3.64Å; L798-L834 HydrophobicContact CD1-CD2 4.37Å; M830-L834 PolarHBondContact O-N 3.39Å; M830-L834 VanDerWaalsContact O-N 3.13Å; M831-L834 HydrophobicContact CE-CB 4.41Å; M831-L834 PolarHBondContact O-N 2.99Å; M831-L834 HydrophobicContact SD-CD1 4.43Å; L834-E836 PolarHBondContact O-N 3.28Å; L834-Q837 WeakPolarHBondContact O-CB 3.18Å; L834-Q837 PolarHBondContact O-N 2.98Å; L834-Q837 VanDerWaalsContact O-N 3.14Å; L834-V838 PolarHBondContact O-N 2.73Å; L834-V838 VanDerWaalsContact O-N 3.08Å
835	L	92.5	Very high	89.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-37.5	176.1	-75.9	166.8	0	0	0	111.4	L805 L808 I824 M831 L832 Q837 V838 M839 L876	L805-L835 HydrophobicContact CD2-CD2 3.69Å; L808-L835 HydrophobicContact CD2-CD2 3.59Å; I824-L835 HydrophobicContact CG2-CD1 4.03Å; M831-L835 HydrophobicContact CE-CD2 4.24Å; M831-L835 HydrophobicContact CE-CG 3.95Å; M831-L835 HydrophobicContact CG-CD1 4.26Å; M831-L835 WeakPolarHBondContact O-CB 3.4Å; M831-L835 VanDerWaalsContact O-CG 3.28Å; M831-L835 WeakPolarHBondContact O-CG 3.35Å; M831-L835 PolarHBondContact O-N 3.43Å; L832-L835 HydrophobicContact CD2-CD1 4.35Å; L832-L835 PolarHBondContact O-N 3.45Å; L835-Q837 PolarHBondContact O-N 2.66Å; L835-V838 WeakPolarHBondContact O-CB 3.35Å; L835-V838 PolarHBondContact O-N 2.7Å; L835-V838 VanDerWaalsContact O-N 3.16Å; L835-M839 HydrophobicContact CD2-CE 4.1Å; L835-M839 VanDerWaalsContact O-CG 3.31Å; L835-M839 WeakPolarHBondContact O-CG 3.46Å; L835-M839 PolarHBondContact O-N 2.77Å; L835-L876 HydrophobicContact CB-CD1 4.36Å; L835-L876 HydrophobicContact CB-CD2 4.26Å
836	E	91.3	Very high	89.9	Confident	42 Å²	42	45.3 Å²	45.3	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-42.9	175.2	176.7	152.8	-162.5	0	0	112.1	L832 L834 V838 M839 I840 Y846 R848 L876	L832-E836 VanDerWaalsContact O-CB 3.24Å; L832-E836 WeakPolarHBondContact O-CB 3.44Å; L832-E836 PolarHBondContact O-N 2.69Å; L834-E836 PolarHBondContact O-N 3.28Å; E836-V838 PolarHBondContact O-N 3.26Å; E836-M839 PolarHBondContact O-N 3.06Å; E836-I840 HydrophobicContact CG-CD1 4.12Å; E836-I840 WeakPolarHBondContact O-CD1 3.11Å; E836-I840 VanDerWaalsContact O-CG1 3.25Å; E836-I840 WeakPolarHBondContact O-CG1 3.45Å; E836-I840 PolarHBondContact O-N 3.49Å; E836-Y846 HydrophobicContact CB-CE2 4.45Å; E836-Y846 HydrophobicContact CG-CE2 3.73Å; E836-Y846 WeakPolarHBondContact CG-OH 3.29Å; E836-Y846 VanDerWaalsContact OE1-CE2 3.3Å; E836-Y846 WeakPolarHBondContact OE1-CE2 3.5Å; E836-Y846 PolarHBondContact OE1-OH 3.18Å; E836-R848 WeakPolarHBondContact OE2-CD 3.19Å; E836-R848 IonicContact OE2-CZ 2.69Å; E836-R848 IonicContact OE2-NE 3.71Å; E836-R848 IonicContact OE2-NH1 3.62Å; E836-R848 PolarHBondContact OE2-NH1 3.18Å; E836-L876 HydrophobicContact CB-CD1 4.22Å
837	Q	87	Confident	89.8	Confident	47 Å²	47	45.9 Å²	45.9	22%	0.22	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-41	172.2	-60.8	-56.6	-55.3	0	0	112.1	L798 D833 L834 L835 I840 N841	L798-Q837 HydrophobicContact CD2-CB 4.1Å; D833-Q837 PolarHBondContact O-N 2.74Å; L834-Q837 WeakPolarHBondContact O-CB 3.18Å; L834-Q837 PolarHBondContact O-N 2.98Å; L834-Q837 VanDerWaalsContact O-N 3.14Å; L835-Q837 PolarHBondContact O-N 2.66Å; Q837-I840 PolarHBondContact O-N 3.47Å; Q837-N841 WeakPolarHBondContact O-CB 3.28Å; Q837-N841 PolarHBondContact O-N 2.95Å; Q837-N841 PolarHBondContact O-ND2 2.93Å
838	V	88.8	Confident	89.8	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-43.8	176.3	176.3	0	0	0	0	111.3	L798 V799 L805 M809 L834 L835 E836 N841 A842	L798-V838 HydrophobicContact CD2-CG2 3.7Å; L798-V838 HydrophobicContact CG-CG2 3.97Å; V799-V838 HydrophobicContact CG2-CG1 4.32Å; L805-V838 HydrophobicContact CD1-CG2 4.1Å; M809-V838 HydrophobicContact CE-CG1 4.49Å; M809-V838 HydrophobicContact CG-CG1 4.12Å; M809-V838 HydrophobicContact SD-CG1 3.43Å; M809-V838 WeakPolarHBondContact SD-CG1 3.31Å; L834-V838 PolarHBondContact O-N 2.73Å; L834-V838 VanDerWaalsContact O-N 3.08Å; L835-V838 WeakPolarHBondContact O-CB 3.35Å; L835-V838 PolarHBondContact O-N 2.7Å; L835-V838 VanDerWaalsContact O-N 3.16Å; E836-V838 PolarHBondContact O-N 3.26Å; V838-N841 PolarHBondContact O-N 3.33Å; V838-A842 VanDerWaalsContact O-CB 3.23Å; V838-A842 WeakPolarHBondContact O-CB 3.27Å; V838-A842 PolarHBondContact O-N 3.04Å
839	M	90.6	Very high	89.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-37.7	179.2	-59	-40.9	158.2	0	0	112.6	L812 I824 L835 E836 A842 R843 Y844 Y846 I874	L812-M839 HydrophobicContact CD1-CE 3.78Å; L812-M839 HydrophobicContact CD1-SD 4.2Å; I824-M839 HydrophobicContact CD1-CE 3.8Å; L835-M839 HydrophobicContact CD2-CE 4.1Å; L835-M839 VanDerWaalsContact O-CG 3.31Å; L835-M839 WeakPolarHBondContact O-CG 3.46Å; L835-M839 PolarHBondContact O-N 2.77Å; E836-M839 PolarHBondContact O-N 3.06Å; M839-A842 CarbonylContact O-C 3.36Å; M839-A842 PolarHBondContact O-N 3.03Å; M839-R843 PolarHBondContact O-N 2.99Å; M839-Y844 PolarHBondContact O-N 3.22Å; M839-Y844 HydrophobicContact SD-CD2 4.12Å; M839-Y846 HydrophobicContact CB-CD1 3.72Å; M839-Y846 HydrophobicContact CB-CE1 4.44Å; M839-Y846 HydrophobicContact CB-CG 4.12Å; M839-Y846 HydrophobicContact CG-CG 4.5Å; M839-I874 HydrophobicContact CE-CD1 4.05Å; M839-I874 HydrophobicContact CG-CD1 4.21Å; M839-I874 HydrophobicContact SD-CD1 3.43Å; M839-I874 WeakPolarHBondContact SD-CD1 3.3Å
840	I	87.8	Confident	89.5	Confident	75 Å²	75	42.2 Å²	42.2	39%	0.385	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-50.5	173.4	-68.8	164.4	0	0	0	110.1	E836 Q837 A842 R843 Y846	E836-I840 HydrophobicContact CG-CD1 4.12Å; E836-I840 WeakPolarHBondContact O-CD1 3.11Å; E836-I840 VanDerWaalsContact O-CG1 3.25Å; E836-I840 WeakPolarHBondContact O-CG1 3.45Å; E836-I840 PolarHBondContact O-N 3.49Å; Q837-I840 PolarHBondContact O-N 3.47Å; I840-A842 VanDerWaalsContact C-N 3.32Å; I840-A842 PolarHBondContact O-N 3.3Å; I840-R843 PolarHBondContact O-N 3.35Å; I840-Y846 HydrophobicContact CD1-CE1 4.49Å; I840-Y846 HydrophobicContact CG1-CE1 3.81Å
841	N	83.9	Confident	89	Confident	48 Å²	48	40.4 Å²	40.4	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-38.6	179.1	-71	-14	0	0	0	112.1	P795 Q837 V838 R843	P795-N841 HydrophobicContact CB-CB 4.22Å; P795-N841 HydrophobicContact CG-CB 4.42Å; Q837-N841 WeakPolarHBondContact O-CB 3.28Å; Q837-N841 PolarHBondContact O-N 2.95Å; Q837-N841 PolarHBondContact O-ND2 2.93Å; V838-N841 PolarHBondContact O-N 3.33Å; N841-R843 PolarHBondContact O-N 3.5Å
842	A	85.1	Confident	88.4	Confident	34 Å²	34	49.2 Å²	49.2	28%	0.281	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.8	175	0	0	0	0	0	114.3	M809 V838 M839 I840 Y844	M809-A842 HydrophobicContact CE-CB 3.72Å; V838-A842 VanDerWaalsContact O-CB 3.23Å; V838-A842 WeakPolarHBondContact O-CB 3.27Å; V838-A842 PolarHBondContact O-N 3.04Å; M839-A842 CarbonylContact O-C 3.36Å; M839-A842 PolarHBondContact O-N 3.03Å; I840-A842 VanDerWaalsContact C-N 3.32Å; I840-A842 PolarHBondContact O-N 3.3Å; A842-Y844 HydrophobicContact CB-CD2 3.59Å; A842-Y844 HydrophobicContact CB-CE2 3.79Å; A842-Y844 HydrophobicContact CB-CG 4.36Å; A842-Y844 PolarHBondContact O-N 3.22Å
843	R	86	Confident	87.7	Confident	230 Å²	230	50.4 Å²	50.4	87%	0.868	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	21.1	-176.2	-52.6	179.3	178	176.2	-0.4	114.9	M839 I840 N841	M839-R843 PolarHBondContact O-N 2.99Å; I840-R843 PolarHBondContact O-N 3.35Å; N841-R843 PolarHBondContact O-N 3.5Å
844	Y	90.1	Very high	86.8	Confident	31 Å²	31	58 Å²	58	12%	0.122	27%	0.265	C	S	.	.			trans	-78	133.2	174.7	-67.3	-49.7	0	0	0	111.2	M809 L812 F816 M839 A842 Y846 F873 I874	M809-Y844 HydrophobicContact CE-CE2 4.24Å; L812-Y844 HydrophobicContact CB-CE2 4.37Å; F816-Y844 HydrophobicContact CB-CE1 4.09Å; F816-Y844 HydrophobicContact CD1-CE1 4.04Å; F816-Y844 HydrophobicContact CD2-CD1 4.05Å; F816-Y844 AromaticContact CD2-CE1 3.83Å; F816-Y844 HydrophobicContact CD2-CE1 3.83Å; F816-Y844 HydrophobicContact CE1-CE1 4.45Å; F816-Y844 HydrophobicContact CE2-CD1 4.21Å; F816-Y844 HydrophobicContact CE2-CE1 4.26Å; F816-Y844 HydrophobicContact CG-CD1 4.39Å; F816-Y844 AromaticContact CG-CE1 3.7Å; F816-Y844 HydrophobicContact CG-CE1 3.7Å; M839-Y844 PolarHBondContact O-N 3.22Å; M839-Y844 HydrophobicContact SD-CD2 4.12Å; A842-Y844 HydrophobicContact CB-CD2 3.59Å; A842-Y844 HydrophobicContact CB-CE2 3.79Å; A842-Y844 HydrophobicContact CB-CG 4.36Å; A842-Y844 PolarHBondContact O-N 3.22Å; Y844-Y846 PolarHBondContact O-N 2.92Å; Y844-F873 AromaticContact CD1-CD1 3.9Å; Y844-F873 HydrophobicContact CD1-CD1 3.9Å; Y844-F873 HydrophobicContact CD1-CE1 4.18Å; Y844-F873 HydrophobicContact CE1-CD1 4.36Å; Y844-F873 HydrophobicContact CE1-CE1 4.21Å; Y844-F873 HydrophobicContact CG-CD1 4.17Å; Y844-F873 HydrophobicContact CG-CE1 4.47Å; Y844-I874 HydrophobicContact CD2-CD1 4.14Å; Y844-I874 HydrophobicContact CG-CD1 4.26Å
845	K	91.2	Very high	85.7	Confident	99 Å²	99	59.6 Å²	59.6	43%	0.43	28%	0.283	S	S	.	.			trans	-75.2	113.3	172.1	-72.8	179.1	179.7	179.4	0	109.8	E871 Y872 F873 I874	K845-E871 VanDerWaalsContact CB-O 3.28Å; K845-E871 WeakPolarHBondContact CB-O 3.37Å; K845-E871 HydrophobicContact CD-CB 3.81Å; K845-E871 WeakPolarHBondContact CD-O 3.42Å; K845-E871 IonicContact NZ-OE1 3.1Å; K845-E871 PolarHBondContact NZ-OE1 3.05Å; K845-E871 IonicContact NZ-OE2 3.19Å; K845-E871 PolarHBondContact NZ-OE2 3.22Å; K845-Y872 HydrophobicContact CB-CD1 4.13Å; K845-F873 PolarHBondContact O-N 3.07Å; K845-I874 PolarHBondContact O-N 2.96Å
846	Y	92.5	Very high	84.6	Confident	55 Å²	55	63.9 Å²	63.9	22%	0.216	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	164.8	-178.9	70.8	-80.9	0	0	0	112.2	E836 M839 I840 Y844 Y872 I874 L876	E836-Y846 HydrophobicContact CB-CE2 4.45Å; E836-Y846 HydrophobicContact CG-CE2 3.73Å; E836-Y846 WeakPolarHBondContact CG-OH 3.29Å; E836-Y846 VanDerWaalsContact OE1-CE2 3.3Å; E836-Y846 WeakPolarHBondContact OE1-CE2 3.5Å; E836-Y846 PolarHBondContact OE1-OH 3.18Å; M839-Y846 HydrophobicContact CB-CD1 3.72Å; M839-Y846 HydrophobicContact CB-CE1 4.44Å; M839-Y846 HydrophobicContact CB-CG 4.12Å; M839-Y846 HydrophobicContact CG-CG 4.5Å; I840-Y846 HydrophobicContact CD1-CE1 4.49Å; I840-Y846 HydrophobicContact CG1-CE1 3.81Å; Y844-Y846 PolarHBondContact O-N 2.92Å; Y846-Y872 WeakPolarHBondContact O-CD1 3.47Å; Y846-Y872 WeakPolarHBondContact O-CE1 3.4Å; Y846-I874 CarbonylContact C-O 3.57Å; Y846-I874 VanDerWaalsContact CA-O 3.25Å; Y846-I874 WeakPolarHBondContact CA-O 3.34Å; Y846-L876 HydrophobicContact CD2-CD1 3.9Å; Y846-L876 HydrophobicContact CD2-CG 4.43Å; Y846-L876 HydrophobicContact CE2-CD1 4.5Å
847	V	92.2	Very high	83.8	Confident	12 Å²	12	66.3 Å²	66.3	7%	0.073	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.8	171.4	170	0	0	0	0	108.4	T861 Y872 I874 F875 L876	V847-T861 HydrophobicContact CG1-CG2 3.16Å; V847-Y872 HydrophobicContact CG2-CD1 3.46Å; V847-Y872 VanDerWaalsContact CG2-CD1 3.46Å; V847-Y872 HydrophobicContact CG2-CD2 3.89Å; V847-Y872 HydrophobicContact CG2-CE1 3.82Å; V847-Y872 HydrophobicContact CG2-CE2 4.22Å; V847-Y872 HydrophobicContact CG2-CG 3.48Å; V847-Y872 VanDerWaalsContact CG2-CG 3.48Å; V847-I874 PolarHBondContact N-O 3.21Å; V847-F875 HydrophobicContact CB-CD1 4.31Å; V847-F875 HydrophobicContact CB-CD2 4.42Å; V847-F875 HydrophobicContact CB-CE1 4.45Å; V847-F875 HydrophobicContact CB-CG 4.3Å; V847-F875 HydrophobicContact CG1-CD1 3.95Å; V847-F875 HydrophobicContact CG1-CD2 4.18Å; V847-F875 HydrophobicContact CG1-CE1 3.6Å; V847-F875 HydrophobicContact CG1-CE2 3.84Å; V847-F875 HydrophobicContact CG1-CG 4.22Å; V847-F875 HydrophobicContact CG1-CZ 3.53Å; V847-F875 CarbonylContact O-C 3.48Å; V847-L876 PolarHBondContact O-N 3.5Å
848	R	90.4	Very high	83.5	Confident	44 Å²	44	66.4 Å²	66.4	17%	0.166	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.9	-179.6	177.5	176.5	169.3	157.1	1.2	112.4	D833 E836 D850 L876	D833-R848 IonicContact OD1-CZ 3.23Å; D833-R848 IonicContact OD1-NH1 3.94Å; D833-R848 PolarHBondContact OD1-NH1 3.15Å; D833-R848 IonicContact OD1-NH2 3.73Å; D833-R848 PolarHBondContact OD1-NH2 3.41Å; E836-R848 WeakPolarHBondContact OE2-CD 3.19Å; E836-R848 IonicContact OE2-CZ 2.69Å; E836-R848 IonicContact OE2-NE 3.71Å; E836-R848 IonicContact OE2-NH1 3.62Å; E836-R848 PolarHBondContact OE2-NH1 3.18Å; R848-D850 IonicContact CZ-OD2 2.68Å; R848-D850 VanDerWaalsContact CZ-OD2 3.31Å; R848-D850 IonicContact NE-OD2 2.93Å; R848-D850 PolarHBondContact NE-OD2 3.4Å; R848-D850 IonicContact NH2-OD2 3.98Å; R848-D850 PolarHBondContact NH2-OD2 2.96Å; R848-L876 WeakPolarHBondContact CA-O 3.34Å; R848-L876 HydrophobicContact CB-CB 4.35Å; R848-L876 HydrophobicContact CG-CB 4.48Å
849	I	87.9	Confident	82.9	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.3	163.4	-69.1	179	0	0	0	111	V853 R858 T861 I862 F875 L876 L877 S878	I849-V853 HydrophobicContact CG2-CG2 4.34Å; I849-R858 HydrophobicContact CD1-CB 3.98Å; I849-R858 HydrophobicContact CD1-CG 4.25Å; I849-R858 HydrophobicContact CG2-CG 4.21Å; I849-T861 HydrophobicContact CD1-CG2 4.24Å; I849-T861 HydrophobicContact CG1-CG2 4.15Å; I849-I862 HydrophobicContact CD1-CD1 4.1Å; I849-I862 HydrophobicContact CD1-CG1 3.82Å; I849-F875 HydrophobicContact CB-CE1 4Å; I849-F875 HydrophobicContact CD1-CE1 3.95Å; I849-F875 HydrophobicContact CD1-CZ 3.65Å; I849-F875 HydrophobicContact CG1-CE1 3.77Å; I849-F875 HydrophobicContact CG1-CZ 3.96Å; I849-L876 PolarHBondContact N-O 3.21Å; I849-L877 HydrophobicContact CB-CD2 4.11Å; I849-S878 PolarHBondContact O-N 3.02Å
850	D	85.2	Confident	82.4	Confident	7 Å²	7	71.5 Å²	71.5	4%	0.037	35%	0.352	C	S	.	.			trans	-131.2	-169.2	168.7	66.5	32.2	0	0	0	110.6	T829 L832 R848 R852 V853 R858	T829-D850 HydrophobicContact CG2-CB 4.45Å; L832-D850 HydrophobicContact CD1-CB 4.48Å; R848-D850 IonicContact CZ-OD2 2.68Å; R848-D850 VanDerWaalsContact CZ-OD2 3.31Å; R848-D850 IonicContact NE-OD2 2.93Å; R848-D850 PolarHBondContact NE-OD2 3.4Å; R848-D850 IonicContact NH2-OD2 3.98Å; R848-D850 PolarHBondContact NH2-OD2 2.96Å; D850-R852 VanDerWaalsContact C-N 3.28Å; D850-R852 PolarHBondContact O-N 3.05Å; D850-R852 VanDerWaalsContact OD1-CB 3.27Å; D850-R852 WeakPolarHBondContact OD1-CB 3.45Å; D850-R852 PolarHBondContact OD1-N 3.47Å; D850-V853 WeakPolarHBondContact O-CG2 3.23Å; D850-R858 PolarHBondContact O-NH2 2.88Å
851	G	78.6	Confident	82.3	Confident	56 Å²	56	68.9 Å²	68.9	58%	0.577	34%	0.34	S	S	*	.	S	Bend	trans	-64.8	-22.8	180	0	0	0	0	0	115.3	R858	G851-R858 PolarHBondContact O-NH2 3.15Å
852	R	80.5	Confident	82.4	Confident	185 Å²	185	67 Å²	67	70%	0.698	33%	0.329	S	S	*	.	S	Bend	trans	-77.7	-34.9	-171.9	-60.2	174	172.1	156.8	-1.4	112.9	D850	D850-R852 VanDerWaalsContact C-N 3.28Å; D850-R852 PolarHBondContact O-N 3.05Å; D850-R852 VanDerWaalsContact OD1-CB 3.27Å; D850-R852 WeakPolarHBondContact OD1-CB 3.45Å; D850-R852 PolarHBondContact OD1-N 3.47Å
853	V	78.6	Confident	82.4	Confident	26 Å²	26	69 Å²	69	16%	0.158	34%	0.335	C	S	.	.	S	Bend	trans	-73.2	128.2	-177	159.6	0	0	0	0	111.3	I849 D850 L857 R858	I849-V853 HydrophobicContact CG2-CG2 4.34Å; D850-V853 WeakPolarHBondContact O-CG2 3.23Å; V853-L857 HydrophobicContact CG1-CB 3.99Å; V853-L857 HydrophobicContact CG1-CD2 3.92Å; V853-L857 HydrophobicContact CG1-CG 3.82Å; V853-R858 HydrophobicContact CG1-CG 3.86Å; V853-R858 HydrophobicContact CG2-CG 4.45Å; V853-R858 PolarHBondContact O-NE 2.88Å; V853-R858 PolarHBondContact O-NH2 2.83Å
854	R	71.7	Confident	82.4	Confident	213 Å²	213	64.2 Å²	64.2	80%	0.804	32%	0.317	S	S	*	.			trans	-69.8	151.3	-174.6	-65.4	-178.1	179	172.3	1.3	112.8	L857 R858	R854-L857 WeakPolarHBondContact O-CB 3.14Å; R854-L857 PolarHBondContact O-N 2.91Å; R854-R858 PolarHBondContact O-N 3.49Å
855	G	68.3	Low	82.4	Confident	43 Å²	43	62.8 Å²	62.8	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-46.9	-55.4	-173.2	0	0	0	0	0	116.4	L857 R858 Q859	G855-L857 VanDerWaalsContact C-N 3.28Å; G855-L857 PolarHBondContact O-N 3.21Å; G855-R858 WeakPolarHBondContact O-CB 3.24Å; G855-R858 PolarHBondContact O-N 2.69Å; G855-R858 VanDerWaalsContact O-N 3.12Å; G855-Q859 PolarHBondContact O-N 3.48Å
856	P	69.5	Low	82.3	Confident	91 Å²	91	60.7 Å²	60.7	59%	0.591	31%	0.305	S	S	*	.	H	α-helix	trans	-59.9	-36.8	178.9	-25.7	35.4	0	0	0	113.3	Q859 V860	P856-Q859 PolarHBondContact O-N 3.31Å; P856-V860 PolarHBondContact O-N 3.38Å; P856-V860 VanDerWaalsContact O-N 3.16Å
857	L	74.9	Confident	82	Confident	93 Å²	93	59.6 Å²	59.6	49%	0.487	31%	0.308	S	S	.	.	H	α-helix	trans	-70.3	-34.9	177.2	-177.2	59	0	0	0	111.5	V853 R854 G855 Q859 T861	V853-L857 HydrophobicContact CG1-CB 3.99Å; V853-L857 HydrophobicContact CG1-CD2 3.92Å; V853-L857 HydrophobicContact CG1-CG 3.82Å; R854-L857 WeakPolarHBondContact O-CB 3.14Å; R854-L857 PolarHBondContact O-N 2.91Å; G855-L857 VanDerWaalsContact C-N 3.28Å; G855-L857 PolarHBondContact O-N 3.21Å; L857-Q859 VanDerWaalsContact C-N 3.32Å; L857-Q859 PolarHBondContact O-N 2.95Å; L857-T861 WeakPolarHBondContact O-CB 3.24Å; L857-T861 PolarHBondContact O-N 3Å; L857-T861 PolarHBondContact O-OG1 2.96Å
858	R	79.4	Confident	81.5	Confident	49 Å²	49	64 Å²	64	19%	0.185	34%	0.336	C	S	.	.	H	α-helix	trans	-56.4	-46.6	170.5	-63.9	-174.8	-168.9	-179.4	5.3	110.9	I849 D850 G851 V853 R854 G855 T861 I862	I849-R858 HydrophobicContact CD1-CB 3.98Å; I849-R858 HydrophobicContact CD1-CG 4.25Å; I849-R858 HydrophobicContact CG2-CG 4.21Å; D850-R858 PolarHBondContact O-NH2 2.88Å; G851-R858 PolarHBondContact O-NH2 3.15Å; V853-R858 HydrophobicContact CG1-CG 3.86Å; V853-R858 HydrophobicContact CG2-CG 4.45Å; V853-R858 PolarHBondContact O-NE 2.88Å; V853-R858 PolarHBondContact O-NH2 2.83Å; R854-R858 PolarHBondContact O-N 3.49Å; G855-R858 WeakPolarHBondContact O-CB 3.24Å; G855-R858 PolarHBondContact O-N 2.69Å; G855-R858 VanDerWaalsContact O-N 3.12Å; R858-T861 WeakPolarHBondContact O-CB 3.34Å; R858-T861 PolarHBondContact O-N 2.76Å; R858-I862 WeakPolarHBondContact O-CD1 3.36Å; R858-I862 VanDerWaalsContact O-CG1 3.27Å; R858-I862 WeakPolarHBondContact O-CG1 3.14Å; R858-I862 PolarHBondContact O-N 3.26Å
859	Q	77	Confident	81.2	Confident	41 Å²	41	69.2 Å²	69.2	19%	0.192	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-49.3	-178.4	-175.8	57.8	39.4	0	0	112.2	G855 P856 L857 T861 I862 D863	G855-Q859 PolarHBondContact O-N 3.48Å; P856-Q859 PolarHBondContact O-N 3.31Å; L857-Q859 VanDerWaalsContact C-N 3.32Å; L857-Q859 PolarHBondContact O-N 2.95Å; Q859-T861 PolarHBondContact O-N 2.96Å; Q859-I862 PolarHBondContact O-N 3.09Å; Q859-I862 VanDerWaalsContact O-N 3.16Å; Q859-D863 WeakPolarHBondContact CG-OD2 3.32Å; Q859-D863 PolarHBondContact NE2-OD1 3.11Å; Q859-D863 PolarHBondContact NE2-OD2 3.43Å; Q859-D863 VanDerWaalsContact O-CG 3.26Å; Q859-D863 PolarHBondContact O-N 3.28Å
860	V	80.4	Confident	81.1	Confident	69 Å²	69	70 Å²	70	42%	0.418	37%	0.373	S	S	.	.	H	α-helix	trans	-57.1	-35	174.9	173.2	0	0	0	0	111.7	P856 R864	P856-V860 PolarHBondContact O-N 3.38Å; P856-V860 VanDerWaalsContact O-N 3.16Å; V860-R864 VanDerWaalsContact O-CG 3.27Å; V860-R864 WeakPolarHBondContact O-CG 3.41Å; V860-R864 PolarHBondContact O-N 3.49Å; V860-R864 VanDerWaalsContact O-N 3.13Å
861	T	86	Confident	81.1	Confident	20 Å²	20	76.1 Å²	76.1	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-72.1	-40.5	179.2	-61.5	0	0	0	0	112.3	V847 I849 L857 R858 Q859 F865 F875	V847-T861 HydrophobicContact CG1-CG2 3.16Å; I849-T861 HydrophobicContact CD1-CG2 4.24Å; I849-T861 HydrophobicContact CG1-CG2 4.15Å; L857-T861 WeakPolarHBondContact O-CB 3.24Å; L857-T861 PolarHBondContact O-N 3Å; L857-T861 PolarHBondContact O-OG1 2.96Å; R858-T861 WeakPolarHBondContact O-CB 3.34Å; R858-T861 PolarHBondContact O-N 2.76Å; Q859-T861 PolarHBondContact O-N 2.96Å; T861-F865 PolarHBondContact O-N 2.95Å; T861-F875 HydrophobicContact CG2-CZ 4.33Å
862	I	85.2	Confident	81.7	Confident	8 Å²	8	77 Å²	77	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-64.5	-45.4	172.9	-70.3	159.9	0	0	0	110.7	I849 R858 Q859 R864 F865 N866 F875 I886 L888	I849-I862 HydrophobicContact CD1-CD1 4.1Å; I849-I862 HydrophobicContact CD1-CG1 3.82Å; R858-I862 WeakPolarHBondContact O-CD1 3.36Å; R858-I862 VanDerWaalsContact O-CG1 3.27Å; R858-I862 WeakPolarHBondContact O-CG1 3.14Å; R858-I862 PolarHBondContact O-N 3.26Å; Q859-I862 PolarHBondContact O-N 3.09Å; Q859-I862 VanDerWaalsContact O-N 3.16Å; I862-R864 VanDerWaalsContact C-N 3.3Å; I862-R864 PolarHBondContact O-N 2.93Å; I862-F865 PolarHBondContact O-N 3.42Å; I862-N866 VanDerWaalsContact CG2-ND2 3.3Å; I862-N866 WeakPolarHBondContact CG2-ND2 3.47Å; I862-N866 PolarHBondContact O-N 3.14Å; I862-F875 HydrophobicContact CG1-CZ 4.35Å; I862-I886 HydrophobicContact CD1-CB 4Å; I862-I886 HydrophobicContact CD1-CG2 3.58Å; I862-L888 HydrophobicContact CG1-CD2 4.42Å; I862-L888 HydrophobicContact CG2-CD2 4.18Å
863	D	84.7	Confident	82.2	Confident	75 Å²	75	68.9 Å²	68.9	40%	0.401	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-32.2	-177.7	-65.7	-28.2	0	0	0	111.9	Q859 F865 A867	Q859-D863 WeakPolarHBondContact CG-OD2 3.32Å; Q859-D863 PolarHBondContact NE2-OD1 3.11Å; Q859-D863 PolarHBondContact NE2-OD2 3.43Å; Q859-D863 VanDerWaalsContact O-CG 3.26Å; Q859-D863 PolarHBondContact O-N 3.28Å; D863-F865 VanDerWaalsContact C-N 3.35Å; D863-F865 PolarHBondContact O-N 3.1Å; D863-A867 PolarHBondContact O-N 2.91Å; D863-A867 VanDerWaalsContact O-N 3.16Å
864	R	87.2	Confident	83	Confident	131 Å²	131	67.7 Å²	67.7	49%	0.494	35%	0.35	S	S	.	.	H	α-helix	trans	-64	-33.7	170.5	-76.5	171.1	-174.8	-179.2	3.2	113.7	V860 I862 S870 Y872	V860-R864 VanDerWaalsContact O-CG 3.27Å; V860-R864 WeakPolarHBondContact O-CG 3.41Å; V860-R864 PolarHBondContact O-N 3.49Å; V860-R864 VanDerWaalsContact O-N 3.13Å; I862-R864 VanDerWaalsContact C-N 3.3Å; I862-R864 PolarHBondContact O-N 2.93Å; R864-S870 WeakPolarHBondContact O-CB 3.46Å; R864-S870 PolarHBondContact O-OG 2.8Å; R864-Y872 HydrophobicContact CB-CE2 4.21Å
865	F	89.6	Confident	84	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-85.8	-32.5	179.9	-178.7	-92.5	0	0	0	113.1	R821 L823 T861 I862 D863 A867 F875 L888 S890 A891	R821-F865 HydrophobicContact CB-CZ 4.17Å; R821-F865 PolarHBondContact NH1-O 2.98Å; L823-F865 HydrophobicContact CD2-CE1 4.08Å; L823-F865 HydrophobicContact CD2-CZ 4.05Å; T861-F865 PolarHBondContact O-N 2.95Å; I862-F865 PolarHBondContact O-N 3.42Å; D863-F865 VanDerWaalsContact C-N 3.35Å; D863-F865 PolarHBondContact O-N 3.1Å; F865-A867 VanDerWaalsContact C-N 3.26Å; F865-A867 PolarHBondContact O-N 3.38Å; F865-F875 HydrophobicContact CB-CD2 3.9Å; F865-F875 HydrophobicContact CB-CE2 3.82Å; F865-F875 AromaticContact CD1-CD2 3.63Å; F865-F875 HydrophobicContact CD1-CD2 3.63Å; F865-F875 HydrophobicContact CD1-CE2 4.14Å; F865-F875 HydrophobicContact CD2-CB 4.39Å; F865-F875 AromaticContact CD2-CD2 3.71Å; F865-F875 HydrophobicContact CD2-CD2 3.71Å; F865-F875 HydrophobicContact CD2-CE2 4.47Å; F865-F875 HydrophobicContact CD2-CG 4.46Å; F865-F875 HydrophobicContact CE1-CD2 4.02Å; F865-F875 HydrophobicContact CE2-CB 4.03Å; F865-F875 HydrophobicContact CE2-CD2 4.09Å; F865-F875 AromaticContact CG-CD2 3.46Å; F865-F875 HydrophobicContact CG-CD2 3.46Å; F865-F875 VanDerWaalsContact CG-CD2 3.46Å; F865-F875 AromaticContact CG-CE2 3.9Å; F865-F875 HydrophobicContact CG-CE2 3.9Å; F865-F875 HydrophobicContact CZ-CB 4.17Å; F865-F875 HydrophobicContact CZ-CD2 4.23Å; F865-L888 HydrophobicContact CD1-CD2 4.09Å; F865-S890 WeakPolarHBondContact CD1-OG 3.43Å; F865-S890 WeakPolarHBondContact CE1-OG 3.25Å; F865-S890 PolarHBondContact O-OG 3.27Å; F865-A891 HydrophobicContact CE1-CB 3.93Å; F865-A891 HydrophobicContact CZ-CB 4.03Å
866	N	88	Confident	85.3	Confident	55 Å²	55	55.5 Å²	55.5	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-77.7	-8	174.1	-73.9	-24.9	0	0	0	113.2	I862 N887 S890	I862-N866 VanDerWaalsContact CG2-ND2 3.3Å; I862-N866 WeakPolarHBondContact CG2-ND2 3.47Å; I862-N866 PolarHBondContact O-N 3.14Å; N866-N887 PolarHBondContact ND2-O 2.66Å; N866-S890 PolarHBondContact OD1-OG 2.86Å
867	A	86.6	Confident	86.3	Confident	33 Å²	33	51.1 Å²	51.1	27%	0.273	26%	0.263	S	S	.	.	S	Bend	trans	-58.8	144.7	172.6	0	0	0	0	0	111.5	R821 D863 F865 S870	R821-A867 PolarHBondContact NH1-O 2.84Å; D863-A867 PolarHBondContact O-N 2.91Å; D863-A867 VanDerWaalsContact O-N 3.16Å; F865-A867 VanDerWaalsContact C-N 3.26Å; F865-A867 PolarHBondContact O-N 3.38Å; A867-S870 WeakPolarHBondContact O-CB 3.21Å; A867-S870 PolarHBondContact O-N 3.2Å
868	P	83	Confident	87.1	Confident	104 Å²	104	47.1 Å²	47.1	68%	0.675	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-55.6	179	23.3	-31.7	0	0	0	110.3	R821 S870	R821-P868 PolarHBondContact NH2-O 3.1Å; P868-S870 PolarHBondContact O-N 3.35Å
869	D	84	Confident	87.4	Confident	153 Å²	153	44.9 Å²	44.9	82%	0.818	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	36.8	-178.9	-45.2	-50.5	0	0	0	112.6	E871	D869-E871 PolarHBondContact O-N 3.38Å
870	S	84.7	Confident	87.5	Confident	18 Å²	18	49.1 Å²	49.1	13%	0.126	25%	0.249	C	C	.	.			trans	-68.1	125.1	-178.8	-165.9	0	0	0	0	111.6	R864 A867 P868 Y872	R864-S870 WeakPolarHBondContact O-CB 3.46Å; R864-S870 PolarHBondContact O-OG 2.8Å; A867-S870 WeakPolarHBondContact O-CB 3.21Å; A867-S870 PolarHBondContact O-N 3.2Å; P868-S870 PolarHBondContact O-N 3.35Å; S870-Y872 PolarHBondContact O-N 3.19Å
871	E	86.2	Confident	87.3	Confident	136 Å²	136	46.3 Å²	46.3	64%	0.636	23%	0.233	S	C	*	.			trans	-74.1	1	175.3	-54	-169.6	128.8	0	0	113.7	K845 D869	K845-E871 VanDerWaalsContact CB-O 3.28Å; K845-E871 WeakPolarHBondContact CB-O 3.37Å; K845-E871 HydrophobicContact CD-CB 3.81Å; K845-E871 WeakPolarHBondContact CD-O 3.42Å; K845-E871 IonicContact NZ-OE1 3.1Å; K845-E871 PolarHBondContact NZ-OE1 3.05Å; K845-E871 IonicContact NZ-OE2 3.19Å; K845-E871 PolarHBondContact NZ-OE2 3.22Å; D869-E871 PolarHBondContact O-N 3.38Å
872	Y	90.1	Very high	86.6	Confident	73 Å²	73	45.4 Å²	45.4	29%	0.286	23%	0.227	S	C	.	.			trans	-99.6	115.3	-171.7	-64.1	-73.1	0	0	0	112.1	K845 Y846 V847 R864 S870	K845-Y872 HydrophobicContact CB-CD1 4.13Å; Y846-Y872 WeakPolarHBondContact O-CD1 3.47Å; Y846-Y872 WeakPolarHBondContact O-CE1 3.4Å; V847-Y872 HydrophobicContact CG2-CD1 3.46Å; V847-Y872 VanDerWaalsContact CG2-CD1 3.46Å; V847-Y872 HydrophobicContact CG2-CD2 3.89Å; V847-Y872 HydrophobicContact CG2-CE1 3.82Å; V847-Y872 HydrophobicContact CG2-CE2 4.22Å; V847-Y872 HydrophobicContact CG2-CG 3.48Å; V847-Y872 VanDerWaalsContact CG2-CG 3.48Å; R864-Y872 HydrophobicContact CB-CE2 4.21Å; S870-Y872 PolarHBondContact O-N 3.19Å
873	F	92.2	Very high	85.7	Confident	16 Å²	16	45.2 Å²	45.2	7%	0.07	23%	0.227	C	C	.	.			trans	-82.9	-37.9	-178.2	171.7	-129.1	0	0	0	112.5	L812 L815 F816 H820 V822 Y844 K845	L812-F873 HydrophobicContact CD2-CE1 4.14Å; L812-F873 HydrophobicContact CD2-CZ 4.29Å; L815-F873 HydrophobicContact CB-CE2 4.46Å; L815-F873 HydrophobicContact CB-CZ 4.15Å; F816-F873 HydrophobicContact CB-CE1 3.82Å; F816-F873 HydrophobicContact CB-CE2 4.16Å; F816-F873 HydrophobicContact CB-CZ 3.61Å; F816-F873 HydrophobicContact CD2-CB 4.49Å; F816-F873 AromaticContact CD2-CD1 3.67Å; F816-F873 HydrophobicContact CD2-CD1 3.67Å; F816-F873 HydrophobicContact CD2-CD2 4.04Å; F816-F873 AromaticContact CD2-CE1 3.82Å; F816-F873 HydrophobicContact CD2-CE1 3.82Å; F816-F873 HydrophobicContact CD2-CE2 4.16Å; F816-F873 AromaticContact CD2-CG 3.83Å; F816-F873 HydrophobicContact CD2-CG 3.83Å; F816-F873 HydrophobicContact CD2-CZ 4.07Å; F816-F873 HydrophobicContact CE2-CD1 4.41Å; F816-F873 HydrophobicContact CE2-CG 4.41Å; F816-F873 HydrophobicContact CG-CE1 4.26Å; F816-F873 HydrophobicContact CG-CZ 4.36Å; H820-F873 WeakPolarHBondContact O-CD2 3.26Å; H820-F873 WeakPolarHBondContact O-CE2 3.39Å; V822-F873 HydrophobicContact CG2-CE2 3.87Å; V822-F873 HydrophobicContact CG2-CZ 3.97Å; V822-F873 PolarHBondContact N-O 3.42Å; Y844-F873 AromaticContact CD1-CD1 3.9Å; Y844-F873 HydrophobicContact CD1-CD1 3.9Å; Y844-F873 HydrophobicContact CD1-CE1 4.18Å; Y844-F873 HydrophobicContact CE1-CD1 4.36Å; Y844-F873 HydrophobicContact CE1-CE1 4.21Å; Y844-F873 HydrophobicContact CG-CD1 4.17Å; Y844-F873 HydrophobicContact CG-CE1 4.47Å; K845-F873 PolarHBondContact O-N 3.07Å
874	I	94	Very high	84.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.5	-171	-61.8	173.1	0	0	0	111.4	L812 V822 I824 M839 Y844 K845 Y846 V847 L876	L812-I874 HydrophobicContact CD1-CD1 4.08Å; L812-I874 HydrophobicContact CD2-CD1 3.96Å; L812-I874 HydrophobicContact CD2-CG1 4.31Å; V822-I874 CarbonylContact O-C 3.59Å; V822-I874 WeakPolarHBondContact O-CA 3.4Å; I824-I874 HydrophobicContact CD1-CG2 3.75Å; I824-I874 HydrophobicContact CG1-CG2 4.16Å; M839-I874 HydrophobicContact CE-CD1 4.05Å; M839-I874 HydrophobicContact CG-CD1 4.21Å; M839-I874 HydrophobicContact SD-CD1 3.43Å; M839-I874 WeakPolarHBondContact SD-CD1 3.3Å; Y844-I874 HydrophobicContact CD2-CD1 4.14Å; Y844-I874 HydrophobicContact CG-CD1 4.26Å; K845-I874 PolarHBondContact O-N 2.96Å; Y846-I874 CarbonylContact C-O 3.57Å; Y846-I874 VanDerWaalsContact CA-O 3.25Å; Y846-I874 WeakPolarHBondContact CA-O 3.34Å; V847-I874 PolarHBondContact N-O 3.21Å; I874-L876 HydrophobicContact CG2-CD2 3.77Å; I874-L876 HydrophobicContact CG2-CG 4.28Å
875	F	94	Very high	83.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.1	167.6	-148.1	-45.6	0	0	0	110.3	V822 L823 I824 V847 I849 T861 I862 F865 L877 L888	V822-F875 PolarHBondContact O-N 3.33Å; L823-F875 HydrophobicContact CD2-CB 3.57Å; L823-F875 HydrophobicContact CD2-CD2 4.48Å; L823-F875 HydrophobicContact CD2-CG 4.29Å; I824-F875 PolarHBondContact N-O 3.44Å; V847-F875 HydrophobicContact CB-CD1 4.31Å; V847-F875 HydrophobicContact CB-CD2 4.42Å; V847-F875 HydrophobicContact CB-CE1 4.45Å; V847-F875 HydrophobicContact CB-CG 4.3Å; V847-F875 HydrophobicContact CG1-CD1 3.95Å; V847-F875 HydrophobicContact CG1-CD2 4.18Å; V847-F875 HydrophobicContact CG1-CE1 3.6Å; V847-F875 HydrophobicContact CG1-CE2 3.84Å; V847-F875 HydrophobicContact CG1-CG 4.22Å; V847-F875 HydrophobicContact CG1-CZ 3.53Å; V847-F875 CarbonylContact O-C 3.48Å; I849-F875 HydrophobicContact CB-CE1 4Å; I849-F875 HydrophobicContact CD1-CE1 3.95Å; I849-F875 HydrophobicContact CD1-CZ 3.65Å; I849-F875 HydrophobicContact CG1-CE1 3.77Å; I849-F875 HydrophobicContact CG1-CZ 3.96Å; T861-F875 HydrophobicContact CG2-CZ 4.33Å; I862-F875 HydrophobicContact CG1-CZ 4.35Å; F865-F875 HydrophobicContact CB-CD2 3.9Å; F865-F875 HydrophobicContact CB-CE2 3.82Å; F865-F875 AromaticContact CD1-CD2 3.63Å; F865-F875 HydrophobicContact CD1-CD2 3.63Å; F865-F875 HydrophobicContact CD1-CE2 4.14Å; F865-F875 HydrophobicContact CD2-CB 4.39Å; F865-F875 AromaticContact CD2-CD2 3.71Å; F865-F875 HydrophobicContact CD2-CD2 3.71Å; F865-F875 HydrophobicContact CD2-CE2 4.47Å; F865-F875 HydrophobicContact CD2-CG 4.46Å; F865-F875 HydrophobicContact CE1-CD2 4.02Å; F865-F875 HydrophobicContact CE2-CB 4.03Å; F865-F875 HydrophobicContact CE2-CD2 4.09Å; F865-F875 AromaticContact CG-CD2 3.46Å; F865-F875 HydrophobicContact CG-CD2 3.46Å; F865-F875 VanDerWaalsContact CG-CD2 3.46Å; F865-F875 AromaticContact CG-CE2 3.9Å; F865-F875 HydrophobicContact CG-CE2 3.9Å; F865-F875 HydrophobicContact CZ-CB 4.17Å; F865-F875 HydrophobicContact CZ-CD2 4.23Å; F875-L877 HydrophobicContact CD1-CD1 4.26Å; F875-L877 HydrophobicContact CD1-CD2 3.58Å; F875-L877 HydrophobicContact CD1-CG 3.66Å; F875-L877 HydrophobicContact CE1-CD2 3.48Å; F875-L877 VanDerWaalsContact CE1-CD2 3.48Å; F875-L877 HydrophobicContact CE1-CG 4.12Å; F875-L877 HydrophobicContact CG-CD1 4.5Å; F875-L877 HydrophobicContact CG-CD2 4.48Å; F875-L877 HydrophobicContact CG-CG 4.34Å; F875-L877 HydrophobicContact CZ-CD2 4.34Å; F875-L888 HydrophobicContact CD2-CD1 4.32Å; F875-L888 HydrophobicContact CD2-CD2 3.89Å; F875-L888 HydrophobicContact CE2-CD1 4.44Å; F875-L888 HydrophobicContact CE2-CD2 3.58Å; F875-L888 HydrophobicContact CZ-CD2 4.39Å
876	L	94.2	Very high	83.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.8	172.5	-56.9	-177.3	0	0	0	109.9	I824 L832 L835 E836 Y846 V847 R848 I849 I874	I824-L876 HydrophobicContact CB-CD2 4.09Å; I824-L876 HydrophobicContact CD1-CD2 4.11Å; L832-L876 HydrophobicContact CD2-CB 4.43Å; L835-L876 HydrophobicContact CB-CD1 4.36Å; L835-L876 HydrophobicContact CB-CD2 4.26Å; E836-L876 HydrophobicContact CB-CD1 4.22Å; Y846-L876 HydrophobicContact CD2-CD1 3.9Å; Y846-L876 HydrophobicContact CD2-CG 4.43Å; Y846-L876 HydrophobicContact CE2-CD1 4.5Å; V847-L876 PolarHBondContact O-N 3.5Å; R848-L876 WeakPolarHBondContact CA-O 3.34Å; R848-L876 HydrophobicContact CB-CB 4.35Å; R848-L876 HydrophobicContact CG-CB 4.48Å; I849-L876 PolarHBondContact N-O 3.21Å; I874-L876 HydrophobicContact CG2-CD2 3.77Å; I874-L876 HydrophobicContact CG2-CG 4.28Å
877	L	92	Very high	82.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134	-174.6	-69.2	165.9	0	0	0	110.6	L823 I824 F825 S826 I849 F875 I886 L888	L823-L877 HydrophobicContact CB-CD1 4.25Å; L823-L877 HydrophobicContact CD1-CD1 4.22Å; L823-L877 HydrophobicContact CD2-CD1 4.25Å; L823-L877 HydrophobicContact CG-CD1 4.47Å; I824-L877 PolarHBondContact O-N 3.4Å; F825-L877 VanDerWaalsContact CA-O 3.31Å; F825-L877 WeakPolarHBondContact CA-O 3.47Å; F825-L877 HydrophobicContact CD1-CB 3.49Å; F825-L877 VanDerWaalsContact CD1-CB 3.49Å; F825-L877 HydrophobicContact CD1-CD1 4.12Å; F825-L877 HydrophobicContact CD1-CG 4.44Å; F825-L877 HydrophobicContact CE1-CB 3.57Å; F825-L877 HydrophobicContact CE1-CD1 3.41Å; F825-L877 VanDerWaalsContact CE1-CD1 3.41Å; F825-L877 HydrophobicContact CE1-CG 4.08Å; F825-L877 HydrophobicContact CE2-CD1 4.12Å; F825-L877 HydrophobicContact CG-CB 4.25Å; F825-L877 HydrophobicContact CZ-CB 4.38Å; F825-L877 HydrophobicContact CZ-CD1 3.41Å; F825-L877 VanDerWaalsContact CZ-CD1 3.41Å; S826-L877 PolarHBondContact N-O 2.94Å; S826-L877 VanDerWaalsContact N-O 3.1Å; I849-L877 HydrophobicContact CB-CD2 4.11Å; F875-L877 HydrophobicContact CD1-CD1 4.26Å; F875-L877 HydrophobicContact CD1-CD2 3.58Å; F875-L877 HydrophobicContact CD1-CG 3.66Å; F875-L877 HydrophobicContact CE1-CD2 3.48Å; F875-L877 VanDerWaalsContact CE1-CD2 3.48Å; F875-L877 HydrophobicContact CE1-CG 4.12Å; F875-L877 HydrophobicContact CG-CD1 4.5Å; F875-L877 HydrophobicContact CG-CD2 4.48Å; F875-L877 HydrophobicContact CG-CG 4.34Å; F875-L877 HydrophobicContact CZ-CD2 4.34Å; L877-I886 HydrophobicContact CD2-CD1 4.17Å; L877-L888 HydrophobicContact CD1-CD1 3.57Å; L877-L888 HydrophobicContact CD2-CD1 4.44Å
878	S	90.3	Very high	82.8	Confident	9 Å²	9	38.7 Å²	38.7	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136	160.6	68.7	0	0	0	0	109.4	S826 I849 R880 A881 G882	S826-S878 CarbonylContact O-C 3.46Å; S826-S878 VanDerWaalsContact O-CA 3.25Å; S826-S878 WeakPolarHBondContact O-CA 3.17Å; I849-S878 PolarHBondContact O-N 3.02Å; S878-R880 PolarHBondContact O-N 3.18Å; S878-R880 VanDerWaalsContact O-N 3.11Å; S878-A881 PolarHBondContact O-N 2.89Å; S878-A881 VanDerWaalsContact OG-CB 3.22Å; S878-A881 WeakPolarHBondContact OG-CB 3.47Å; S878-A881 PolarHBondContact OG-N 3.12Å; S878-G882 WeakPolarHBondContact O-CA 3.22Å; S878-G882 PolarHBondContact O-N 3.22Å
879	T	85.4	Confident	82.8	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-51.1	-39.7	178.5	51	0	0	0	0	111.8	F825 S826 G883	F825-T879 HydrophobicContact CB-CG2 3.98Å; S826-T879 PolarHBondContact O-N 2.96Å; T879-G883 PolarHBondContact O-N 3.26Å
880	R	79.8	Confident	83	Confident	130 Å²	130	29.7 Å²	29.7	49%	0.491	15%	0.152	S	C	.	.	H	α-helix	trans	-69.2	-58.5	-177.9	-53.7	-166.6	163.9	-151.4	-12.1	112.6	S878 G882 G883 D900 W905	S878-R880 PolarHBondContact O-N 3.18Å; S878-R880 VanDerWaalsContact O-N 3.11Å; R880-G882 VanDerWaalsContact C-N 3.32Å; R880-G882 PolarHBondContact O-N 3.47Å; R880-G883 PolarHBondContact O-N 3.07Å; R880-D900 IonicContact CZ-OD2 2.79Å; R880-D900 IonicContact NE-OD2 3.2Å; R880-D900 IonicContact NH2-OD2 2.82Å; R880-D900 PolarHBondContact NH2-OD2 3.13Å; R880-W905 HydrophobicContact CB-CZ3 4.48Å; R880-W905 HydrophobicContact CG-CE3 4.03Å; R880-W905 HydrophobicContact CG-CZ3 3.78Å
881	A	76	Confident	83.3	Confident	10 Å²	10	28.8 Å²	28.8	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-72.1	-26.3	-179.5	0	0	0	0	0	112.8	S878 E884	S878-A881 PolarHBondContact O-N 2.89Å; S878-A881 VanDerWaalsContact OG-CB 3.22Å; S878-A881 WeakPolarHBondContact OG-CB 3.47Å; S878-A881 PolarHBondContact OG-N 3.12Å; A881-E884 PolarHBondContact O-N 3.26Å
882	G	71.5	Confident	83.5	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.7	-31.7	173.4	0	0	0	0	0	113.1	S878 R880 E884 I886 R912	S878-G882 WeakPolarHBondContact O-CA 3.22Å; S878-G882 PolarHBondContact O-N 3.22Å; R880-G882 VanDerWaalsContact C-N 3.32Å; R880-G882 PolarHBondContact O-N 3.47Å; G882-E884 VanDerWaalsContact C-N 3.25Å; G882-E884 PolarHBondContact O-N 3.45Å; G882-I886 WeakPolarHBondContact O-CG1 3.39Å; G882-R912 WeakPolarHBondContact O-CG 3.18Å
883	G	65.6	Low	83.6	Confident	5 Å²	5	18.9 Å²	18.9	5%	0.052	10%	0.103	C	C	.	.	H	α-helix	trans	-67.1	-22.6	172.7	0	0	0	0	0	114.2	T879 R880 G885 Q908 R912	T879-G883 PolarHBondContact O-N 3.26Å; R880-G883 PolarHBondContact O-N 3.07Å; G883-G885 PolarHBondContact O-N 3.11Å; G883-Q908 VanDerWaalsContact O-CG 3.27Å; G883-Q908 WeakPolarHBondContact O-CG 3.21Å; G883-Q908 PolarHBondContact O-NE2 3.45Å; G883-R912 PolarHBondContact O-NE 2.88Å; G883-R912 PolarHBondContact O-NH2 3.39Å
884	E	66.4	Low	83.7	Confident	68 Å²	68	18.2 Å²	18.2	32%	0.318	10%	0.1	S	C	.	.	S	Bend	trans	-81.8	79.3	-174.1	-72.3	-170.3	152.9	0	0	113.7	S552 R631 A881 G882 I886	S552-E884 WeakPolarHBondContact CB-O 3.46Å; S552-E884 PolarHBondContact OG-O 3.38Å; R631-E884 IonicContact NH2-OE1 2.68Å; A881-E884 PolarHBondContact O-N 3.26Å; G882-E884 VanDerWaalsContact C-N 3.25Å; G882-E884 PolarHBondContact O-N 3.45Å; E884-I886 VanDerWaalsContact C-N 3.31Å; E884-I886 PolarHBondContact O-N 3.47Å; E884-I886 VanDerWaalsContact O-N 3.11Å
885	G	64.4	Low	83.7	Confident	17 Å²	17	18.2 Å²	18.2	18%	0.175	10%	0.1	C	C	.	.	S	Bend	trans	84.3	-20.7	156.3	0	0	0	0	0	117.4	G883 R912	G883-G885 PolarHBondContact O-N 3.11Å; G885-R912 VanDerWaalsContact CA-NH1 3.31Å; G885-R912 PolarHBondContact O-NH1 3.27Å
886	I	77.1	Confident	83.6	Confident	21 Å²	21	18.2 Å²	18.2	11%	0.108	10%	0.1	C	C	.	.			trans	-62.6	166.5	-173.8	67.5	177.5	0	0	0	114.6	I862 L877 G882 E884 L888 R912	I862-I886 HydrophobicContact CD1-CB 4Å; I862-I886 HydrophobicContact CD1-CG2 3.58Å; L877-I886 HydrophobicContact CD2-CD1 4.17Å; G882-I886 WeakPolarHBondContact O-CG1 3.39Å; E884-I886 VanDerWaalsContact C-N 3.31Å; E884-I886 PolarHBondContact O-N 3.47Å; E884-I886 VanDerWaalsContact O-N 3.11Å; I886-L888 HydrophobicContact CD1-CD1 3.69Å; I886-L888 HydrophobicContact CD1-CG 4.15Å; I886-L888 HydrophobicContact CG1-CD1 4.46Å; I886-R912 HydrophobicContact CG1-CB 4.4Å; I886-R912 HydrophobicContact CG1-CG 4.14Å; I886-R912 WeakPolarHBondContact O-CD 3.3Å; I886-R912 PolarHBondContact O-NH1 2.9Å
887	N	82.3	Confident	83.6	Confident	51 Å²	51	18.2 Å²	18.2	27%	0.273	10%	0.1	S	C	.	.			trans	-129.6	122.9	175.6	-67.1	-40.7	0	0	0	109.8	N866 R915	N866-N887 PolarHBondContact ND2-O 2.66Å; N887-R915 WeakPolarHBondContact OD1-CD 3.47Å; N887-R915 VanDerWaalsContact OD1-CZ 3.26Å; N887-R915 PolarHBondContact OD1-NE 3.05Å; N887-R915 PolarHBondContact OD1-NH1 3.36Å
888	L	84.8	Confident	83.6	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.			trans	-133.3	48.9	-176.6	-65.1	175.1	0	0	0	110.8	L823 I862 F865 F875 L877 I886 S890 A891 R912	L823-L888 HydrophobicContact CD1-CB 4.12Å; L823-L888 HydrophobicContact CD1-CD1 3.9Å; L823-L888 HydrophobicContact CD2-CB 4.42Å; L823-L888 HydrophobicContact CD2-CD1 3.93Å; I862-L888 HydrophobicContact CG1-CD2 4.42Å; I862-L888 HydrophobicContact CG2-CD2 4.18Å; F865-L888 HydrophobicContact CD1-CD2 4.09Å; F875-L888 HydrophobicContact CD2-CD1 4.32Å; F875-L888 HydrophobicContact CD2-CD2 3.89Å; F875-L888 HydrophobicContact CE2-CD1 4.44Å; F875-L888 HydrophobicContact CE2-CD2 3.58Å; F875-L888 HydrophobicContact CZ-CD2 4.39Å; L877-L888 HydrophobicContact CD1-CD1 3.57Å; L877-L888 HydrophobicContact CD2-CD1 4.44Å; I886-L888 HydrophobicContact CD1-CD1 3.69Å; I886-L888 HydrophobicContact CD1-CG 4.15Å; I886-L888 HydrophobicContact CG1-CD1 4.46Å; L888-S890 PolarHBondContact O-N 3.34Å; L888-S890 VanDerWaalsContact O-N 3.14Å; L888-A891 PolarHBondContact O-N 2.86Å; L888-R912 CarbonylContact C-O 3.58Å; L888-R912 PolarHBondContact N-O 3.05Å
889	A	83.2	Confident	83.4	Confident	30 Å²	30	18.3 Å²	18.3	25%	0.248	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.5	-173.7	0	0	0	0	0	114.5	A891 Q918	A889-A891 VanDerWaalsContact C-N 3.34Å; A889-Q918 PolarHBondContact O-NE2 3.34Å
890	S	88.1	Confident	83.4	Confident	37 Å²	37	18.7 Å²	18.7	26%	0.259	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.9	173.1	60.9	0	0	0	0	113.9	F865 N866 L888	F865-S890 WeakPolarHBondContact CD1-OG 3.43Å; F865-S890 WeakPolarHBondContact CE1-OG 3.25Å; F865-S890 PolarHBondContact O-OG 3.27Å; N866-S890 PolarHBondContact OD1-OG 2.86Å; L888-S890 PolarHBondContact O-N 3.34Å; L888-S890 VanDerWaalsContact O-N 3.14Å
891	A	90.9	Very high	83.4	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.088	C	C	.	.			trans	-96.8	124.3	-179.8	0	0	0	0	0	112.1	R821 L823 F865 L888 A889 Q918	R821-A891 HydrophobicContact CB-CB 4.29Å; R821-A891 WeakPolarHBondContact O-CB 3.5Å; L823-A891 HydrophobicContact CD1-CB 4.1Å; L823-A891 HydrophobicContact CD2-CB 3.46Å; L823-A891 VanDerWaalsContact CD2-CB 3.46Å; L823-A891 HydrophobicContact CG-CB 3.51Å; F865-A891 HydrophobicContact CE1-CB 3.93Å; F865-A891 HydrophobicContact CZ-CB 4.03Å; L888-A891 PolarHBondContact O-N 2.86Å; A889-A891 VanDerWaalsContact C-N 3.34Å; A891-Q918 PolarHBondContact O-NE2 2.99Å
892	D	91.4	Very high	83.5	Confident	1 Å²	1	15 Å²	15	1%	0.005	9%	0.087	C	C	.	.			trans	-100.7	-11.2	-178.4	75.8	-38.6	0	0	0	113.2	H820 R821 K920 V922 V923 R1082	H820-D892 IonicContact CE1-OD2 3.43Å; H820-D892 PolarHBondContact CE1-OD2 2.7Å; H820-D892 IonicContact CG-OD1 3.15Å; H820-D892 IonicContact CG-OD2 2.72Å; H820-D892 IonicContact ND1-OD1 2.65Å; H820-D892 IonicContact ND1-OD2 3.73Å; H820-D892 PolarHBondContact ND1-OD2 3.49Å; R821-D892 PolarHBondContact N-OD1 3.4Å; R821-D892 PolarHBondContact O-N 3.26Å; D892-K920 HydrophobicContact CB-CB 3.54Å; D892-K920 HydrophobicContact CB-CD 3.89Å; D892-K920 HydrophobicContact CB-CG 4.3Å; D892-K920 WeakPolarHBondContact OD2-CD 3.12Å; D892-V922 VanDerWaalsContact O-CA 3.29Å; D892-V922 WeakPolarHBondContact O-CA 3.44Å; D892-V923 PolarHBondContact O-N 3.3Å; D892-V923 VanDerWaalsContact O-N 3.08Å; D892-R1082 IonicContact OD2-CZ 3.13Å; D892-R1082 IonicContact OD2-NH1 2.66Å; D892-R1082 PolarHBondContact OD2-NH1 2.84Å; D892-R1082 IonicContact OD2-NH2 3.88Å
893	T	92.1	Very high	84.1	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.9	-173.8	-45.9	0	0	0	0	110	L815 R821 V822 L823 V923 Y925 R1082	L815-T893 HydrophobicContact CD1-CG2 3.71Å; L815-T893 HydrophobicContact CD2-CG2 4.14Å; R821-T893 PolarHBondContact O-N 2.95Å; V822-T893 WeakPolarHBondContact CA-O 3.19Å; L823-T893 PolarHBondContact N-O 3.08Å; T893-V923 WeakPolarHBondContact CA-O 3.49Å; T893-Y925 HydrophobicContact CG2-CD2 4.07Å; T893-Y925 HydrophobicContact CG2-CE2 3.65Å; T893-R1082 PolarHBondContact OG1-NH2 3.25Å
894	V	93.4	Very high	84.8	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.006	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.2	-178.3	-173.8	0	0	0	0	110.6	L823 F825 L896 L910 A913 V922 V923 I924 Y925	L823-V894 HydrophobicContact CB-CG1 4.38Å; L823-V894 HydrophobicContact CB-CG2 4.36Å; L823-V894 HydrophobicContact CD1-CG2 4.33Å; L823-V894 HydrophobicContact CG-CG2 4.49Å; L823-V894 CarbonylContact O-C 3.58Å; L823-V894 WeakPolarHBondContact O-CA 3.33Å; F825-V894 HydrophobicContact CD2-CG1 3.54Å; F825-V894 HydrophobicContact CE2-CG1 3.55Å; V894-L896 HydrophobicContact CG1-CD2 4.27Å; V894-L910 HydrophobicContact CB-CD2 4.2Å; V894-L910 HydrophobicContact CG1-CD2 3.78Å; V894-A913 HydrophobicContact CG2-CB 3.91Å; V894-V922 HydrophobicContact CG2-CG1 4.49Å; V894-V923 PolarHBondContact N-O 2.92Å; V894-I924 HydrophobicContact CB-CG1 4.49Å; V894-I924 CarbonylContact O-C 3.58Å; V894-I924 WeakPolarHBondContact O-CA 3.46Å; V894-Y925 PolarHBondContact O-N 3.44Å
895	V	93.9	Very high	85.6	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120	172.4	-177.1	0	0	0	0	108.8	L808 L811 V822 L823 I824 F825 Y925 F927	L808-V895 HydrophobicContact CD1-CG1 4.26Å; L808-V895 HydrophobicContact CD1-CG2 4.35Å; L811-V895 HydrophobicContact CD2-CG2 4.21Å; V822-V895 HydrophobicContact CG1-CG2 4.05Å; L823-V895 PolarHBondContact O-N 3.4Å; I824-V895 HydrophobicContact CG1-CB 4.39Å; F825-V895 PolarHBondContact N-O 3.01Å; V895-Y925 CarbonylContact C-O 3.57Å; V895-Y925 WeakPolarHBondContact CA-O 3.45Å; V895-Y925 HydrophobicContact CG2-CD2 4.34Å; V895-F927 HydrophobicContact CG1-CD2 3.97Å; V895-F927 HydrophobicContact CG1-CE2 3.52Å; V895-F927 HydrophobicContact CG1-CZ 4.07Å
896	L	93.4	Very high	86.7	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	101.7	166.8	-57.4	-177.9	0	0	0	107.5	F825 V894 D906 L910 I924 Y925 R926 F927	F825-L896 HydrophobicContact CB-CD2 3.93Å; F825-L896 HydrophobicContact CD2-CD2 3.99Å; F825-L896 HydrophobicContact CG-CD2 4.24Å; V894-L896 HydrophobicContact CG1-CD2 4.27Å; L896-D906 HydrophobicContact CD1-CB 4.21Å; L896-L910 HydrophobicContact CD1-CD1 4.31Å; L896-L910 HydrophobicContact CD1-CD2 4.26Å; L896-L910 HydrophobicContact CD1-CG 4.47Å; L896-L910 HydrophobicContact CD2-CD2 4.21Å; L896-L910 HydrophobicContact CG-CD2 4.37Å; L896-I924 HydrophobicContact CD1-CG2 4.36Å; L896-I924 HydrophobicContact CG-CG2 4.43Å; L896-Y925 PolarHBondContact N-O 3.3Å; L896-R926 HydrophobicContact CB-CG 4.46Å; L896-F927 PolarHBondContact O-N 3.36Å; L896-F927 VanDerWaalsContact O-N 3.07Å
897	Y	94.1	Very high	87.1	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-74.8	-37.7	-174.7	-166.1	-88.6	0	0	0	112.3	N768 K804 L805 L808 F825 M831 F927	N768-Y897 HydrophobicContact CB-CD1 4.49Å; N768-Y897 HydrophobicContact CB-CE1 3.91Å; N768-Y897 PolarHBondContact O-OH 3.46Å; K804-Y897 HydrophobicContact CB-CE1 4.34Å; K804-Y897 HydrophobicContact CB-CE2 3.85Å; K804-Y897 VanDerWaalsContact CB-OH 3.31Å; K804-Y897 WeakPolarHBondContact CB-OH 3.35Å; K804-Y897 HydrophobicContact CD-CD1 4.31Å; K804-Y897 HydrophobicContact CD-CE1 3.88Å; K804-Y897 HydrophobicContact CD-CE2 4.45Å; K804-Y897 PolarHBondContact NZ-O 3.33Å; L805-Y897 HydrophobicContact CD2-CE2 4.11Å; L808-Y897 HydrophobicContact CD2-CD2 4.06Å; L808-Y897 HydrophobicContact CD2-CE2 3.92Å; F825-Y897 WeakPolarHBondContact O-CB 3.37Å; F825-Y897 PolarHBondContact O-N 2.93Å; M831-Y897 HydrophobicContact CE-CE1 3.71Å; M831-Y897 HydrophobicContact CE-CE2 4.37Å; M831-Y897 WeakPolarHBondContact CE-OH 3.38Å; M831-Y897 HydrophobicContact CG-CD1 4Å; M831-Y897 HydrophobicContact CG-CE1 3.86Å; M831-Y897 HydrophobicContact SD-CE1 3.78Å; Y897-F927 AromaticContact CD2-CD2 3.83Å; Y897-F927 HydrophobicContact CD2-CD2 3.83Å; Y897-F927 HydrophobicContact CD2-CE2 4.04Å; Y897-F927 HydrophobicContact CE2-CD2 4.29Å; Y897-F927 HydrophobicContact CE2-CE2 4.4Å; Y897-F927 HydrophobicContact CG-CD2 4.44Å
898	D	91.4	Very high	87.2	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-138.6	144.3	167.5	68.4	-52.5	0	0	0	111	N768 S826 R827 F828	N768-D898 WeakPolarHBondContact ND2-CB 3.41Å; S826-D898 WeakPolarHBondContact CA-OD1 3.36Å; S826-D898 WeakPolarHBondContact CB-OD1 3.42Å; S826-D898 PolarHBondContact OG-OD1 3.29Å; R827-D898 VanDerWaalsContact CB-OD2 3.25Å; R827-D898 WeakPolarHBondContact CB-OD2 3.44Å; R827-D898 PolarHBondContact N-OD1 2.91Å; R827-D898 IonicContact NE-OD2 3.26Å; F828-D898 VanDerWaalsContact CD2-OD2 3.29Å; F828-D898 WeakPolarHBondContact CD2-OD2 3.34Å
899	S	87.1	Confident	87.2	Confident	11 Å²	11	15.4 Å²	15.4	8%	0.077	8%	0.08	C	C	.	.			trans	-94.1	139.3	-176.6	-52.8	0	0	0	0	110.9	R926	S899-R926 PolarHBondContact OG-NH1 3.44Å
900	D	84.8	Confident	87.4	Confident	10 Å²	10	14.3 Å²	14.3	5%	0.053	7%	0.07	C	C	.	.			trans	-81	159.7	173.6	-151.3	-51.2	0	0	0	111.2	R827 R880 N902 D906	R827-D900 WeakPolarHBondContact CD-OD2 3.21Å; R880-D900 IonicContact CZ-OD2 2.79Å; R880-D900 IonicContact NE-OD2 3.2Å; R880-D900 IonicContact NH2-OD2 2.82Å; R880-D900 PolarHBondContact NH2-OD2 3.13Å; D900-N902 PolarHBondContact O-N 3.17Å; D900-N902 VanDerWaalsContact O-N 3.11Å; D900-D906 PolarHBondContact N-OD1 2.75Å
901	W	78.7	Confident	87.3	Confident	49 Å²	49	12.9 Å²	12.9	19%	0.186	6%	0.06	C	C	.	.	S	Bend	trans	-69.3	-3.8	178.7	-74.6	88	0	0	0	113.9	I760 I937 K944 L1023 L1031	I760-W901 HydrophobicContact CG2-CZ2 3.67Å; W901-I937 HydrophobicContact CD2-CD1 4.37Å; W901-I937 HydrophobicContact CD2-CG1 3.97Å; W901-I937 HydrophobicContact CD2-CG2 4.28Å; W901-I937 HydrophobicContact CE3-CG1 4.07Å; W901-I937 HydrophobicContact CG-CG2 4.47Å; W901-I937 HydrophobicContact CH2-CD1 4.12Å; W901-I937 HydrophobicContact CH2-CG1 3.48Å; W901-I937 VanDerWaalsContact CH2-CG1 3.48Å; W901-I937 HydrophobicContact CZ2-CD1 3.46Å; W901-I937 VanDerWaalsContact CZ2-CD1 3.46Å; W901-I937 HydrophobicContact CZ2-CG1 3.35Å; W901-I937 HydrophobicContact CZ3-CG1 3.84Å; W901-K944 PolarHBondContact O-NZ 3.03Å; W901-L1023 HydrophobicContact CH2-CD1 3.69Å; W901-L1023 HydrophobicContact CZ2-CD1 4.47Å; W901-L1023 HydrophobicContact CZ3-CD1 3.93Å; W901-L1023 HydrophobicContact CZ3-CD2 4.21Å; W901-L1023 HydrophobicContact CZ3-CG 4.38Å; W901-L1031 HydrophobicContact CH2-CD1 4.12Å
902	N	79.6	Confident	86.9	Confident	13 Å²	13	13.3 Å²	13.3	7%	0.07	6%	0.061	C	C	.	.	S	Bend	trans	-124.1	108.8	173.8	-177.3	-8.7	0	0	0	108.8	Q660 D900 Q904 W905	Q660-N902 PolarHBondContact OE1-ND2 2.91Å; D900-N902 PolarHBondContact O-N 3.17Å; D900-N902 VanDerWaalsContact O-N 3.11Å; N902-Q904 PolarHBondContact O-N 2.83Å; N902-Q904 WeakPolarHBondContact OD1-CB 3.38Å; N902-Q904 WeakPolarHBondContact OD1-CG 3.23Å; N902-Q904 PolarHBondContact OD1-N 3.21Å; N902-Q904 VanDerWaalsContact OD1-N 3.13Å; N902-W905 HydrophobicContact CB-CG 4.38Å; N902-W905 VanDerWaalsContact ND2-CD1 3.26Å; N902-W905 PolarHBondContact ND2-NE1 3.04Å; N902-W905 VanDerWaalsContact ND2-NE1 3.17Å; N902-W905 PolarHBondContact O-N 3.19Å; N902-W905 VanDerWaalsContact O-N 3.12Å
903	P	84.1	Confident	86.6	Confident	9 Å²	9	13.2 Å²	13.2	6%	0.058	6%	0.061	C	C	.	.	H	α-helix	trans	-60.5	-21	-176.1	28.7	-38.6	0	0	0	112.7	W905 D906 L907 A941 K944 L945	P903-W905 VanDerWaalsContact C-N 3.27Å; P903-W905 PolarHBondContact O-N 3.48Å; P903-D906 PolarHBondContact O-N 3.02Å; P903-L907 WeakPolarHBondContact O-CG 3.37Å; P903-L907 PolarHBondContact O-N 2.76Å; P903-A941 HydrophobicContact CB-CB 4.15Å; P903-A941 HydrophobicContact CG-CB 4.43Å; P903-A941 WeakPolarHBondContact CG-O 3.45Å; P903-K944 HydrophobicContact CG-CB 4.36Å; P903-L945 HydrophobicContact CB-CB 4.32Å; P903-L945 HydrophobicContact CG-CB 4.01Å
904	Q	80.6	Confident	86.4	Confident	2 Å²	2	13.9 Å²	13.9	1%	0.009	6%	0.064	C	C	.	.	H	α-helix	trans	-73.6	-21.7	-176.3	-55.1	-167.3	3.6	0	0	112.4	T657 L659 Q660 N902 Q908 T948	T657-Q904 HydrophobicContact CG2-CB 4.2Å; T657-Q904 HydrophobicContact CG2-CG 4.44Å; T657-Q904 VanDerWaalsContact CG2-OE1 3.29Å; L659-Q904 PolarHBondContact O-NE2 2.86Å; L659-Q904 PolarHBondContact O-OE1 3.45Å; Q660-Q904 VanDerWaalsContact NE2-OE1 3.13Å; N902-Q904 PolarHBondContact O-N 2.83Å; N902-Q904 WeakPolarHBondContact OD1-CB 3.38Å; N902-Q904 WeakPolarHBondContact OD1-CG 3.23Å; N902-Q904 PolarHBondContact OD1-N 3.21Å; N902-Q904 VanDerWaalsContact OD1-N 3.13Å; Q904-Q908 WeakPolarHBondContact O-CB 3.46Å; Q904-Q908 PolarHBondContact O-N 2.87Å; Q904-T948 PolarHBondContact NE2-OG1 2.95Å; Q904-T948 VanDerWaalsContact NE2-OG1 3.08Å
905	W	83	Confident	85.9	Confident	86 Å²	86	16.4 Å²	16.4	33%	0.326	7%	0.074	S	C	.	.	H	α-helix	trans	-75.2	-40.6	175.7	-69.9	37.5	0	0	0	109.9	R880 N902 P903 Q908 A909	R880-W905 HydrophobicContact CB-CZ3 4.48Å; R880-W905 HydrophobicContact CG-CE3 4.03Å; R880-W905 HydrophobicContact CG-CZ3 3.78Å; N902-W905 HydrophobicContact CB-CG 4.38Å; N902-W905 VanDerWaalsContact ND2-CD1 3.26Å; N902-W905 PolarHBondContact ND2-NE1 3.04Å; N902-W905 VanDerWaalsContact ND2-NE1 3.17Å; N902-W905 PolarHBondContact O-N 3.19Å; N902-W905 VanDerWaalsContact O-N 3.12Å; P903-W905 VanDerWaalsContact C-N 3.27Å; P903-W905 PolarHBondContact O-N 3.48Å; W905-Q908 PolarHBondContact O-N 3.44Å; W905-A909 PolarHBondContact O-N 3.46Å
906	D	87.4	Confident	85.3	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-62	-50.2	170.3	-61.6	2.5	0	0	0	110.5	L896 D900 P903 Q908 A909 L910 R926	L896-D906 HydrophobicContact CD1-CB 4.21Å; D900-D906 PolarHBondContact N-OD1 2.75Å; P903-D906 PolarHBondContact O-N 3.02Å; D906-Q908 VanDerWaalsContact C-N 3.27Å; D906-Q908 PolarHBondContact O-N 2.77Å; D906-A909 CarbonylContact O-C 3.55Å; D906-A909 WeakPolarHBondContact O-CA 3.41Å; D906-A909 WeakPolarHBondContact O-CB 3.32Å; D906-A909 PolarHBondContact O-N 3.25Å; D906-L910 VanDerWaalsContact O-CG 3.26Å; D906-L910 WeakPolarHBondContact O-CG 3.38Å; D906-L910 PolarHBondContact O-N 3.3Å; D906-R926 IonicContact OD2-CZ 2.85Å; D906-R926 IonicContact OD2-NH1 3.46Å; D906-R926 PolarHBondContact OD2-NH1 3.19Å; D906-R926 IonicContact OD2-NH2 3.96Å
907	L	85.3	Confident	84.6	Confident	55 Å²	55	22.6 Å²	22.6	29%	0.288	12%	0.121	S	C	.	.	H	α-helix	trans	-58.2	-38	176.1	-72	168.4	0	0	0	112.7	P903 A909 L910 S911 L945	P903-L907 WeakPolarHBondContact O-CG 3.37Å; P903-L907 PolarHBondContact O-N 2.76Å; L907-A909 VanDerWaalsContact C-N 3.34Å; L907-L910 HydrophobicContact CD2-CD1 4.38Å; L907-L910 PolarHBondContact O-N 2.96Å; L907-S911 WeakPolarHBondContact O-CB 3.41Å; L907-S911 PolarHBondContact O-N 2.87Å; L907-L945 HydrophobicContact CD1-CD1 3.57Å; L907-L945 HydrophobicContact CD1-CD2 4.28Å
908	Q	84.4	Confident	84.2	Confident	18 Å²	18	23.2 Å²	23.2	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-33.8	175.1	169	153.5	6.6	0	0	112.6	M520 G883 Q904 W905 D906 S911 R912	M520-Q908 HydrophobicContact CE-CB 4.12Å; M520-Q908 HydrophobicContact CE-CG 3.72Å; M520-Q908 HydrophobicContact SD-CB 3.98Å; M520-Q908 HydrophobicContact SD-CG 4.27Å; G883-Q908 VanDerWaalsContact O-CG 3.27Å; G883-Q908 WeakPolarHBondContact O-CG 3.21Å; G883-Q908 PolarHBondContact O-NE2 3.45Å; Q904-Q908 WeakPolarHBondContact O-CB 3.46Å; Q904-Q908 PolarHBondContact O-N 2.87Å; W905-Q908 PolarHBondContact O-N 3.44Å; D906-Q908 VanDerWaalsContact C-N 3.27Å; D906-Q908 PolarHBondContact O-N 2.77Å; Q908-S911 PolarHBondContact O-OG 2.99Å; Q908-R912 WeakPolarHBondContact O-CG 3.34Å; Q908-R912 PolarHBondContact O-NE 2.92Å
909	A	85.4	Confident	83.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72.8	-43.3	170.9	0	0	0	0	0	112.5	F825 W905 D906 L907 S911 R912	F825-A909 HydrophobicContact CD1-CB 3.93Å; F825-A909 HydrophobicContact CE1-CB 3.64Å; F825-A909 HydrophobicContact CE2-CB 4.37Å; F825-A909 HydrophobicContact CG-CB 4.41Å; F825-A909 HydrophobicContact CZ-CB 3.87Å; W905-A909 PolarHBondContact O-N 3.46Å; D906-A909 CarbonylContact O-C 3.55Å; D906-A909 WeakPolarHBondContact O-CA 3.41Å; D906-A909 WeakPolarHBondContact O-CB 3.32Å; D906-A909 PolarHBondContact O-N 3.25Å; L907-A909 VanDerWaalsContact C-N 3.34Å; A909-S911 VanDerWaalsContact C-N 3.29Å; A909-S911 PolarHBondContact O-N 2.95Å; A909-R912 VanDerWaalsContact O-CB 3.23Å; A909-R912 WeakPolarHBondContact O-CB 3.31Å; A909-R912 WeakPolarHBondContact O-CG 3.41Å; A909-R912 PolarHBondContact O-N 3.26Å; A909-R912 VanDerWaalsContact O-N 3.11Å
910	L	87.3	Confident	83.8	Confident	7 Å²	7	32 Å²	32	4%	0.037	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-36.3	176.3	-66.2	172.6	0	0	0	112.3	V894 L896 D906 L907 R912 A913 H914 I924	V894-L910 HydrophobicContact CB-CD2 4.2Å; V894-L910 HydrophobicContact CG1-CD2 3.78Å; L896-L910 HydrophobicContact CD1-CD1 4.31Å; L896-L910 HydrophobicContact CD1-CD2 4.26Å; L896-L910 HydrophobicContact CD1-CG 4.47Å; L896-L910 HydrophobicContact CD2-CD2 4.21Å; L896-L910 HydrophobicContact CG-CD2 4.37Å; D906-L910 VanDerWaalsContact O-CG 3.26Å; D906-L910 WeakPolarHBondContact O-CG 3.38Å; D906-L910 PolarHBondContact O-N 3.3Å; L907-L910 HydrophobicContact CD2-CD1 4.38Å; L907-L910 PolarHBondContact O-N 2.96Å; L910-R912 PolarHBondContact O-N 2.9Å; L910-A913 PolarHBondContact O-N 2.98Å; L910-H914 PolarHBondContact O-N 3.37Å; L910-I924 HydrophobicContact CD1-CD1 4.08Å; L910-I924 HydrophobicContact CD1-CG2 4.37Å; L910-I924 HydrophobicContact CD2-CB 4.33Å; L910-I924 HydrophobicContact CD2-CD1 3.82Å; L910-I924 HydrophobicContact CD2-CG1 3.85Å; L910-I924 HydrophobicContact CD2-CG2 3.52Å; L910-I924 HydrophobicContact CG-CD1 4.41Å
911	S	84.5	Confident	83.9	Confident	8 Å²	8	33 Å²	33	6%	0.056	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-6.5	176.5	78.5	0	0	0	0	115	L907 Q908 A909	L907-S911 WeakPolarHBondContact O-CB 3.41Å; L907-S911 PolarHBondContact O-N 2.87Å; Q908-S911 PolarHBondContact O-OG 2.99Å; A909-S911 VanDerWaalsContact C-N 3.29Å; A909-S911 PolarHBondContact O-N 2.95Å
912	R	82.9	Confident	84.4	Confident	8 Å²	8	30.8 Å²	30.8	3%	0.03	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-30.2	178	-51.7	-66.5	149.3	-168.7	2.6	112.8	M520 G882 G883 G885 I886 L888 Q908 A909 L910	M520-R912 VanDerWaalsContact CE-NH2 3.34Å; G882-R912 WeakPolarHBondContact O-CG 3.18Å; G883-R912 PolarHBondContact O-NE 2.88Å; G883-R912 PolarHBondContact O-NH2 3.39Å; G885-R912 VanDerWaalsContact CA-NH1 3.31Å; G885-R912 PolarHBondContact O-NH1 3.27Å; I886-R912 HydrophobicContact CG1-CB 4.4Å; I886-R912 HydrophobicContact CG1-CG 4.14Å; I886-R912 WeakPolarHBondContact O-CD 3.3Å; I886-R912 PolarHBondContact O-NH1 2.9Å; L888-R912 CarbonylContact C-O 3.58Å; L888-R912 PolarHBondContact N-O 3.05Å; Q908-R912 WeakPolarHBondContact O-CG 3.34Å; Q908-R912 PolarHBondContact O-NE 2.92Å; A909-R912 VanDerWaalsContact O-CB 3.23Å; A909-R912 WeakPolarHBondContact O-CB 3.31Å; A909-R912 WeakPolarHBondContact O-CG 3.41Å; A909-R912 PolarHBondContact O-N 3.26Å; A909-R912 VanDerWaalsContact O-N 3.11Å; L910-R912 PolarHBondContact O-N 2.9Å
913	A	86.3	Confident	84.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-46.7	169.9	0	0	0	0	0	111.2	L823 V894 L910 R915	L823-A913 HydrophobicContact CD1-CB 3.95Å; V894-A913 HydrophobicContact CG2-CB 3.91Å; L910-A913 PolarHBondContact O-N 2.98Å; A913-R915 VanDerWaalsContact C-N 3.32Å; A913-R915 PolarHBondContact O-N 3.18Å
914	H	86.9	Confident	85.3	Confident	14 Å²	14	29.8 Å²	29.8	7%	0.065	16%	0.164	C	C	.	.	S	Bend	trans	-82.1	75.3	179.1	-166.8	-105.6	0	0	0	112	K713 L720 P721 L910	K713-H914 PolarHBondContact NZ-O 3.32Å; L720-H914 VanDerWaalsContact CD2-CE1 3.46Å; L720-H914 WeakPolarHBondContact CD2-CE1 3.29Å; P721-H914 PolarHBondContact O-NE2 2.87Å; L910-H914 PolarHBondContact O-N 3.37Å
915	R	82.9	Confident	85.8	Confident	54 Å²	54	29.7 Å²	29.7	20%	0.204	16%	0.164	C	C	.	.	S	Bend	trans	-138.2	159.5	-177.4	-167.8	166.3	-177.3	157.3	6.1	111.2	N887 A913 G917 Q918	N887-R915 WeakPolarHBondContact OD1-CD 3.47Å; N887-R915 VanDerWaalsContact OD1-CZ 3.26Å; N887-R915 PolarHBondContact OD1-NE 3.05Å; N887-R915 PolarHBondContact OD1-NH1 3.36Å; A913-R915 VanDerWaalsContact C-N 3.32Å; A913-R915 PolarHBondContact O-N 3.18Å; R915-G917 PolarHBondContact O-N 3.11Å; R915-Q918 WeakPolarHBondContact O-CB 3.32Å; R915-Q918 PolarHBondContact O-N 2.82Å
916	I	80.6	Confident	86.2	Confident	67 Å²	67	26.9 Å²	26.9	34%	0.344	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	124.9	169.1	-50.5	176.2	0	0	0	108.8	I717	I717-I916 HydrophobicContact CD1-CD1 3.58Å; I717-I916 HydrophobicContact CD1-CG1 3.7Å
917	G	80.4	Confident	86.5	Confident	62 Å²	62	26.8 Å²	26.8	64%	0.639	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	111.1	-17.6	-172	0	0	0	0	0	114.2	R915	R915-G917 PolarHBondContact O-N 3.11Å
918	Q	85.3	Confident	86.8	Confident	14 Å²	14	24.6 Å²	24.6	7%	0.065	14%	0.141	C	C	.	.			trans	-71.4	138.8	167	178.4	57.1	-87.6	0	0	110.7	A889 A891 R915 K920 V922	A889-Q918 PolarHBondContact O-NE2 3.34Å; A891-Q918 PolarHBondContact O-NE2 2.99Å; R915-Q918 WeakPolarHBondContact O-CB 3.32Å; R915-Q918 PolarHBondContact O-N 2.82Å; Q918-K920 VanDerWaalsContact CG-O 3.24Å; Q918-K920 WeakPolarHBondContact CG-O 3.38Å; Q918-K920 PolarHBondContact OE1-O 2.9Å; Q918-V922 HydrophobicContact CG-CG2 3.69Å
919	S	83.6	Confident	87	Confident	107 Å²	107	23.7 Å²	23.7	75%	0.748	14%	0.137	S	C	*	.			trans	-121.9	-26.7	-179.6	55.7	0	0	0	0	114.1
920	K	85.9	Confident	86.7	Confident	87 Å²	87	25.3 Å²	25.3	38%	0.378	14%	0.143	S	C	.	.	S	Bend	trans	-84.8	151.4	171.2	-68	-171.5	179.3	-173.5	0	110.3	P721 D819 D892 Q918	P721-K920 WeakPolarHBondContact CB-O 3.31Å; D819-K920 PolarHBondContact O-NZ 2.87Å; D892-K920 HydrophobicContact CB-CB 3.54Å; D892-K920 HydrophobicContact CB-CD 3.89Å; D892-K920 HydrophobicContact CB-CG 4.3Å; D892-K920 WeakPolarHBondContact OD2-CD 3.12Å; Q918-K920 VanDerWaalsContact CG-O 3.24Å; Q918-K920 WeakPolarHBondContact CG-O 3.38Å; Q918-K920 PolarHBondContact OE1-O 2.9Å
921	H	86.7	Confident	86.3	Confident	32 Å²	32	30 Å²	30	15%	0.148	16%	0.164	C	C	.	.			trans	-64.7	134.2	172.1	178.3	-94.6	0	0	0	111.1	K722 T724 M1086	K722-H921 PolarHBondContact O-CD2 3.35Å; K722-H921 PolarHBondContact O-NE2 3.08Å; T724-H921 PolarHBondContact OG1-CE1 2.88Å; H921-M1086 HydrophobicContact CB-CE 3.86Å
922	V	89	Confident	86.2	Confident	2 Å²	2	30 Å²	30	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	113.1	-171.8	-177.2	0	0	0	0	111.6	K722 K723 T724 D892 V894 Q918 I924	K722-V922 PolarHBondContact O-N 2.92Å; K722-V922 VanDerWaalsContact O-N 3.14Å; K723-V922 VanDerWaalsContact CA-O 3.27Å; K723-V922 WeakPolarHBondContact CA-O 3.31Å; K723-V922 HydrophobicContact CB-CB 4.3Å; T724-V922 PolarHBondContact N-O 3.19Å; D892-V922 VanDerWaalsContact O-CA 3.29Å; D892-V922 WeakPolarHBondContact O-CA 3.44Å; V894-V922 HydrophobicContact CG2-CG1 4.49Å; Q918-V922 HydrophobicContact CG-CG2 3.69Å; V922-I924 HydrophobicContact CG1-CG1 4.25Å
923	V	91	Very high	86.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.4	176.9	-173.5	0	0	0	0	110	I726 D892 T893 V894 Y925 M1085	I726-V923 HydrophobicContact CD1-CG1 4.04Å; D892-V923 PolarHBondContact O-N 3.3Å; D892-V923 VanDerWaalsContact O-N 3.08Å; T893-V923 WeakPolarHBondContact CA-O 3.49Å; V894-V923 PolarHBondContact N-O 2.92Å; V923-Y925 HydrophobicContact CB-CE2 4.47Å; V923-Y925 HydrophobicContact CG1-CD2 4.38Å; V923-Y925 HydrophobicContact CG1-CE1 4.07Å; V923-Y925 HydrophobicContact CG1-CE2 3.8Å; V923-M1085 HydrophobicContact CG1-SD 4.34Å
924	I	91.4	Very high	86.4	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.8	-177.2	-54.4	161	0	0	0	108.2	K723 T724 E725 I726 V894 L896 L910 V922	K723-I924 HydrophobicContact CB-CD1 4.29Å; T724-I924 WeakPolarHBondContact O-CB 3.43Å; T724-I924 PolarHBondContact O-N 3.42Å; E725-I924 HydrophobicContact CB-CB 4.4Å; E725-I924 HydrophobicContact CG-CB 4.42Å; E725-I924 HydrophobicContact CG-CG2 4.19Å; I726-I924 PolarHBondContact N-O 2.92Å; V894-I924 HydrophobicContact CB-CG1 4.49Å; V894-I924 CarbonylContact O-C 3.58Å; V894-I924 WeakPolarHBondContact O-CA 3.46Å; L896-I924 HydrophobicContact CD1-CG2 4.36Å; L896-I924 HydrophobicContact CG-CG2 4.43Å; L910-I924 HydrophobicContact CD1-CD1 4.08Å; L910-I924 HydrophobicContact CD1-CG2 4.37Å; L910-I924 HydrophobicContact CD2-CB 4.33Å; L910-I924 HydrophobicContact CD2-CD1 3.82Å; L910-I924 HydrophobicContact CD2-CG1 3.85Å; L910-I924 HydrophobicContact CD2-CG2 3.52Å; L910-I924 HydrophobicContact CG-CD1 4.41Å; V922-I924 HydrophobicContact CG1-CG1 4.25Å
925	Y	92.2	Very high	86.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.8	173.1	-57	-80.9	0	0	0	109.4	I726 V728 L811 T893 V894 V895 L896 V923 L1079	I726-Y925 HydrophobicContact CB-CD1 4.38Å; I726-Y925 HydrophobicContact CD1-CD1 3.78Å; I726-Y925 HydrophobicContact CD1-CE1 3.47Å; I726-Y925 VanDerWaalsContact CD1-CE1 3.47Å; V728-Y925 HydrophobicContact CG2-CD1 4.02Å; L811-Y925 HydrophobicContact CD1-CD1 3.89Å; L811-Y925 HydrophobicContact CD1-CD2 4.04Å; L811-Y925 HydrophobicContact CD1-CE1 3.88Å; L811-Y925 HydrophobicContact CD1-CE2 4.03Å; L811-Y925 HydrophobicContact CD1-CG 3.96Å; L811-Y925 HydrophobicContact CD2-CD2 4.42Å; L811-Y925 HydrophobicContact CD2-CE2 4.47Å; T893-Y925 HydrophobicContact CG2-CD2 4.07Å; T893-Y925 HydrophobicContact CG2-CE2 3.65Å; V894-Y925 PolarHBondContact O-N 3.44Å; V895-Y925 CarbonylContact C-O 3.57Å; V895-Y925 WeakPolarHBondContact CA-O 3.45Å; V895-Y925 HydrophobicContact CG2-CD2 4.34Å; L896-Y925 PolarHBondContact N-O 3.3Å; V923-Y925 HydrophobicContact CB-CE2 4.47Å; V923-Y925 HydrophobicContact CG1-CD2 4.38Å; V923-Y925 HydrophobicContact CG1-CE1 4.07Å; V923-Y925 HydrophobicContact CG1-CE2 3.8Å; Y925-L1079 PolarHBondContact OH-O 3.22Å
926	R	91.8	Very high	86.2	Confident	26 Å²	26	33.1 Å²	33.1	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.9	173.2	-178	-173.3	-64.2	-83	0.3	109.4	E725 I726 V728 L896 S899 D906 I928	E725-R926 IonicContact OE1-CZ 2.73Å; E725-R926 IonicContact OE1-NE 2.71Å; E725-R926 PolarHBondContact OE1-NE 2.98Å; E725-R926 IonicContact OE1-NH2 2.72Å; E725-R926 PolarHBondContact OE1-NH2 3.3Å; I726-R926 PolarHBondContact O-N 2.91Å; V728-R926 PolarHBondContact N-O 3.24Å; L896-R926 HydrophobicContact CB-CG 4.46Å; S899-R926 PolarHBondContact OG-NH1 3.44Å; D906-R926 IonicContact OD2-CZ 2.85Å; D906-R926 IonicContact OD2-NH1 3.46Å; D906-R926 PolarHBondContact OD2-NH1 3.19Å; D906-R926 IonicContact OD2-NH2 3.96Å; R926-I928 HydrophobicContact CG-CD1 4.47Å; R926-I928 HydrophobicContact CG-CG1 4.14Å
927	F	93.2	Very high	86.4	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.5	172	-63.4	-41.9	0	0	0	110.3	V728 V730 K804 V807 L808 V895 L896 Y897	V728-F927 HydrophobicContact CB-CD1 3.88Å; V728-F927 HydrophobicContact CB-CE1 4.2Å; V728-F927 HydrophobicContact CG1-CD1 3.92Å; V728-F927 HydrophobicContact CG1-CE1 3.99Å; V730-F927 HydrophobicContact CG2-CD1 4.25Å; K804-F927 HydrophobicContact CD-CB 4.14Å; K804-F927 HydrophobicContact CG-CB 4.42Å; V807-F927 HydrophobicContact CG1-CE1 3.8Å; V807-F927 HydrophobicContact CG1-CZ 4.27Å; L808-F927 HydrophobicContact CB-CE2 3.96Å; L808-F927 HydrophobicContact CB-CZ 4.11Å; L808-F927 HydrophobicContact CD1-CE2 4.14Å; L808-F927 HydrophobicContact CD1-CZ 4.33Å; V895-F927 HydrophobicContact CG1-CD2 3.97Å; V895-F927 HydrophobicContact CG1-CE2 3.52Å; V895-F927 HydrophobicContact CG1-CZ 4.07Å; L896-F927 PolarHBondContact O-N 3.36Å; L896-F927 VanDerWaalsContact O-N 3.07Å; Y897-F927 AromaticContact CD2-CD2 3.83Å; Y897-F927 HydrophobicContact CD2-CD2 3.83Å; Y897-F927 HydrophobicContact CD2-CE2 4.04Å; Y897-F927 HydrophobicContact CE2-CD2 4.29Å; Y897-F927 HydrophobicContact CE2-CE2 4.4Å; Y897-F927 HydrophobicContact CG-CD2 4.44Å
928	I	90.9	Very high	86.7	Confident	8 Å²	8	27.5 Å²	27.5	4%	0.041	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	123.6	171.7	-58.5	-173.3	0	0	0	107.9	V727 V728 P729 V730 R926 R930 E934 E935 S938	V727-I928 HydrophobicContact CG1-CB 4.48Å; V727-I928 HydrophobicContact CG1-CD1 3.69Å; V727-I928 HydrophobicContact CG1-CG1 4.11Å; V728-I928 PolarHBondContact O-N 2.99Å; V728-I928 VanDerWaalsContact O-N 3.17Å; P729-I928 WeakPolarHBondContact CA-O 3.39Å; V730-I928 PolarHBondContact N-O 3.47Å; R926-I928 HydrophobicContact CG-CD1 4.47Å; R926-I928 HydrophobicContact CG-CG1 4.14Å; I928-R930 PolarHBondContact O-N 2.84Å; I928-E934 HydrophobicContact CG2-CB 4.22Å; I928-E935 HydrophobicContact CG2-CB 3.96Å; I928-E935 HydrophobicContact CG2-CG 4.22Å; I928-S938 WeakPolarHBondContact CD1-OG 3.14Å
929	T	87.9	Confident	86.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.2	172.4	-60.8	0	0	0	0	110.4	V730 M732 C767 K804 S932 E934	V730-T929 CarbonylContact O-C 3.59Å; V730-T929 VanDerWaalsContact O-CA 3.23Å; V730-T929 WeakPolarHBondContact O-CA 3.38Å; M732-T929 HydrophobicContact CG-CG2 3.35Å; M732-T929 HydrophobicContact SD-CG2 4.19Å; C767-T929 HydrophobicContact CB-CG2 4.47Å; K804-T929 VanDerWaalsContact CE-OG1 3.24Å; K804-T929 WeakPolarHBondContact CE-OG1 3.46Å; T929-S932 WeakPolarHBondContact CB-OG 3.46Å; T929-S932 WeakPolarHBondContact O-CB 3.4Å; T929-S932 PolarHBondContact O-OG 2.83Å; T929-E934 PolarHBondContact N-OE2 3.47Å; T929-E934 PolarHBondContact OG1-OE2 3.15Å
930	R	81	Confident	86.5	Confident	33 Å²	33	25.8 Å²	25.8	13%	0.125	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	154.1	176.5	-79.1	-176.2	172.2	150.1	1.5	111.5	P729 V730 D731 I928 S932 L1100 S1101 F1103	P729-R930 HydrophobicContact CB-CG 3.8Å; V730-R930 PolarHBondContact O-N 2.94Å; D731-R930 WeakPolarHBondContact OD1-CB 3.39Å; D731-R930 WeakPolarHBondContact OD1-CD 3.46Å; D731-R930 IonicContact OD2-NH1 3.12Å; D731-R930 PolarHBondContact OD2-NH1 3Å; I928-R930 PolarHBondContact O-N 2.84Å; R930-S932 PolarHBondContact O-N 3.05Å; R930-S932 VanDerWaalsContact O-N 3.16Å; R930-L1100 PolarHBondContact NH2-O 3.47Å; R930-S1101 PolarHBondContact NH2-O 3.22Å; R930-F1103 PolarHBondContact NH2-O 2.76Å
931	H	77.5	Confident	86.4	Confident	106 Å²	106	22 Å²	22	49%	0.491	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	35.3	178.2	-50.5	105.9	0	0	0	112.6	D731 A1038	D731-H931 IonicContact OD1-ND1 3.75Å; H931-A1038 HydrophobicContact CB-CB 4.28Å
932	S	83.7	Confident	86.3	Confident	7 Å²	7	27.2 Å²	27.2	5%	0.049	12%	0.123	C	C	.	.	S	Bend	trans	-139.6	164.6	-174.5	90.5	0	0	0	0	112.6	T929 R930 E934 E935	T929-S932 WeakPolarHBondContact CB-OG 3.46Å; T929-S932 WeakPolarHBondContact O-CB 3.4Å; T929-S932 PolarHBondContact O-OG 2.83Å; R930-S932 PolarHBondContact O-N 3.05Å; R930-S932 VanDerWaalsContact O-N 3.16Å; S932-E934 PolarHBondContact O-N 3.32Å; S932-E934 VanDerWaalsContact O-N 3.11Å; S932-E934 PolarHBondContact OG-N 2.82Å; S932-E935 WeakPolarHBondContact O-CB 3.18Å; S932-E935 PolarHBondContact O-N 3.1Å; S932-E935 VanDerWaalsContact O-N 3.08Å
933	I	84.2	Confident	85.8	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-54.4	-27.3	175.4	-163.7	163.1	0	0	0	113.9	Y740 I760 L763 Q764 E935 K936 I937	Y740-I933 WeakPolarHBondContact OH-CB 3.36Å; Y740-I933 PolarHBondContact OH-N 3.4Å; I760-I933 HydrophobicContact CB-CD1 4Å; I760-I933 HydrophobicContact CG1-CD1 3.77Å; I760-I933 HydrophobicContact CG2-CD1 3.79Å; L763-I933 HydrophobicContact CB-CG2 3.91Å; L763-I933 HydrophobicContact CD1-CD1 4.32Å; Q764-I933 HydrophobicContact CG-CG2 4.08Å; I933-E935 VanDerWaalsContact C-N 3.28Å; I933-E935 PolarHBondContact O-N 3.09Å; I933-K936 PolarHBondContact O-N 2.86Å; I933-I937 HydrophobicContact CG1-CD1 4.16Å; I933-I937 HydrophobicContact CG1-CG1 4.39Å; I933-I937 WeakPolarHBondContact O-CG1 3.47Å; I933-I937 PolarHBondContact O-N 3.35Å
934	E	87.3	Confident	85.1	Confident	11 Å²	11	38.2 Å²	38.2	5%	0.051	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-34.5	177.6	-63.2	-163.7	148.7	0	0	112.9	C767 N768 K804 I928 T929 S932 I937 S938	C767-E934 HydrophobicContact CB-CG 4.08Å; N768-E934 PolarHBondContact OD1-OE1 3.11Å; K804-E934 VanDerWaalsContact CE-OE2 3.25Å; K804-E934 WeakPolarHBondContact CE-OE2 2.91Å; K804-E934 IonicContact NZ-OE1 2.71Å; K804-E934 PolarHBondContact NZ-OE1 2.94Å; K804-E934 IonicContact NZ-OE2 3.98Å; K804-E934 PolarHBondContact NZ-OE2 3.23Å; I928-E934 HydrophobicContact CG2-CB 4.22Å; T929-E934 PolarHBondContact N-OE2 3.47Å; T929-E934 PolarHBondContact OG1-OE2 3.15Å; S932-E934 PolarHBondContact O-N 3.32Å; S932-E934 VanDerWaalsContact O-N 3.11Å; S932-E934 PolarHBondContact OG-N 2.82Å; E934-I937 PolarHBondContact O-N 3.13Å; E934-S938 WeakPolarHBondContact O-CB 3.34Å; E934-S938 PolarHBondContact O-N 3.14Å
935	E	85.1	Confident	84.5	Confident	66 Å²	66	40.3 Å²	40.3	31%	0.308	18%	0.177	S	C	.	.	H	α-helix	trans	-67.3	-44.3	178.8	-160.3	-163.1	129.1	0	0	110.6	I928 S932 I933 S938 Q939	I928-E935 HydrophobicContact CG2-CB 3.96Å; I928-E935 HydrophobicContact CG2-CG 4.22Å; S932-E935 WeakPolarHBondContact O-CB 3.18Å; S932-E935 PolarHBondContact O-N 3.1Å; S932-E935 VanDerWaalsContact O-N 3.08Å; I933-E935 VanDerWaalsContact C-N 3.28Å; I933-E935 PolarHBondContact O-N 3.09Å; E935-S938 WeakPolarHBondContact O-CB 3.48Å; E935-S938 PolarHBondContact O-N 3.38Å; E935-Q939 WeakPolarHBondContact O-CG 3.17Å; E935-Q939 PolarHBondContact O-N 3Å; E935-Q939 PolarHBondContact OE1-NE2 3Å; E935-Q939 VanDerWaalsContact OE1-NE2 3.13Å
936	K	81.3	Confident	83.8	Confident	60 Å²	60	42.4 Å²	42.4	26%	0.261	19%	0.194	S	C	.	.	H	α-helix	trans	-66.4	-36.8	175.2	-62.4	-78.2	177.6	164.7	0	112	I933 S938 Q939 V940 L1031 S1034	I933-K936 PolarHBondContact O-N 2.86Å; K936-S938 VanDerWaalsContact C-N 3.33Å; K936-S938 PolarHBondContact O-N 3.46Å; K936-Q939 PolarHBondContact O-N 3.49Å; K936-V940 WeakPolarHBondContact O-CG2 3.47Å; K936-V940 PolarHBondContact O-N 3.38Å; K936-L1031 HydrophobicContact CB-CD2 3.31Å; K936-L1031 HydrophobicContact CD-CD2 4.44Å; K936-L1031 HydrophobicContact CG-CD2 3.92Å; K936-S1034 VanDerWaalsContact CE-OG 3.25Å; K936-S1034 WeakPolarHBondContact CE-OG 3.4Å
937	I	85.6	Confident	82.8	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-46.1	170.5	-70.8	167.2	0	0	0	110.3	Q764 W901 I933 E934 Q939 V940 A941	Q764-I937 HydrophobicContact CG-CD1 3.98Å; W901-I937 HydrophobicContact CD2-CD1 4.37Å; W901-I937 HydrophobicContact CD2-CG1 3.97Å; W901-I937 HydrophobicContact CD2-CG2 4.28Å; W901-I937 HydrophobicContact CE3-CG1 4.07Å; W901-I937 HydrophobicContact CG-CG2 4.47Å; W901-I937 HydrophobicContact CH2-CD1 4.12Å; W901-I937 HydrophobicContact CH2-CG1 3.48Å; W901-I937 VanDerWaalsContact CH2-CG1 3.48Å; W901-I937 HydrophobicContact CZ2-CD1 3.46Å; W901-I937 VanDerWaalsContact CZ2-CD1 3.46Å; W901-I937 HydrophobicContact CZ2-CG1 3.35Å; W901-I937 HydrophobicContact CZ3-CG1 3.84Å; I933-I937 HydrophobicContact CG1-CD1 4.16Å; I933-I937 HydrophobicContact CG1-CG1 4.39Å; I933-I937 WeakPolarHBondContact O-CG1 3.47Å; I933-I937 PolarHBondContact O-N 3.35Å; E934-I937 PolarHBondContact O-N 3.13Å; I937-Q939 PolarHBondContact O-N 2.9Å; I937-V940 PolarHBondContact O-N 3.34Å; I937-A941 VanDerWaalsContact O-CB 3.27Å; I937-A941 WeakPolarHBondContact O-CB 3.28Å; I937-A941 PolarHBondContact O-N 2.99Å
938	S	85.5	Confident	81.7	Confident	8 Å²	8	45.7 Å²	45.7	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-38.2	175	167.6	0	0	0	0	112.9	I928 E934 E935 K936 R942	I928-S938 WeakPolarHBondContact CD1-OG 3.14Å; E934-S938 WeakPolarHBondContact O-CB 3.34Å; E934-S938 PolarHBondContact O-N 3.14Å; E935-S938 WeakPolarHBondContact O-CB 3.48Å; E935-S938 PolarHBondContact O-N 3.38Å; K936-S938 VanDerWaalsContact C-N 3.33Å; K936-S938 PolarHBondContact O-N 3.46Å; S938-R942 WeakPolarHBondContact O-CB 3.45Å; S938-R942 WeakPolarHBondContact O-CG 3.15Å; S938-R942 PolarHBondContact O-N 3.34Å; S938-R942 PolarHBondContact O-NE 2.92Å; S938-R942 VanDerWaalsContact O-NE 3.11Å; S938-R942 PolarHBondContact OG-NE 2.85Å; S938-R942 PolarHBondContact OG-NH2 3.23Å
939	Q	83.9	Confident	80.9	Confident	52 Å²	52	49 Å²	49	24%	0.243	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-45.6	174.4	-67.2	173	17.6	0	0	111.6	E935 K936 I937 R942 R943	E935-Q939 WeakPolarHBondContact O-CG 3.17Å; E935-Q939 PolarHBondContact O-N 3Å; E935-Q939 PolarHBondContact OE1-NE2 3Å; E935-Q939 VanDerWaalsContact OE1-NE2 3.13Å; K936-Q939 PolarHBondContact O-N 3.49Å; I937-Q939 PolarHBondContact O-N 2.9Å; Q939-R942 PolarHBondContact O-N 3.09Å; Q939-R943 WeakPolarHBondContact O-CG 3.14Å; Q939-R943 PolarHBondContact O-N 3.42Å
940	V	81.3	Confident	80.1	Confident	33 Å²	33	54 Å²	54	20%	0.2	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-42.8	175.7	171.2	0	0	0	0	111.4	K936 I937 R943 K944	K936-V940 WeakPolarHBondContact O-CG2 3.47Å; K936-V940 PolarHBondContact O-N 3.38Å; I937-V940 PolarHBondContact O-N 3.34Å; V940-R943 PolarHBondContact O-N 3.19Å; V940-K944 PolarHBondContact O-N 2.98Å
941	A	84.1	Confident	79.5	Confident	9 Å²	9	53 Å²	53	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-45	176.7	0	0	0	0	0	111.6	P903 I937 R943 K944 L945	P903-A941 HydrophobicContact CB-CB 4.15Å; P903-A941 HydrophobicContact CG-CB 4.43Å; P903-A941 WeakPolarHBondContact CG-O 3.45Å; I937-A941 VanDerWaalsContact O-CB 3.27Å; I937-A941 WeakPolarHBondContact O-CB 3.28Å; I937-A941 PolarHBondContact O-N 2.99Å; A941-R943 PolarHBondContact O-N 3.29Å; A941-K944 PolarHBondContact O-N 3.19Å; A941-L945 PolarHBondContact O-N 3.39Å
942	R	83.4	Confident	79	Confident	141 Å²	141	48.4 Å²	48.4	53%	0.532	23%	0.231	S	C	.	.	H	α-helix	trans	-59.5	-43.9	174.1	-80	176.9	-82.3	161.6	-8.3	112.5	S938 Q939 K944 L945 A946	S938-R942 WeakPolarHBondContact O-CB 3.45Å; S938-R942 WeakPolarHBondContact O-CG 3.15Å; S938-R942 PolarHBondContact O-N 3.34Å; S938-R942 PolarHBondContact O-NE 2.92Å; S938-R942 VanDerWaalsContact O-NE 3.11Å; S938-R942 PolarHBondContact OG-NE 2.85Å; S938-R942 PolarHBondContact OG-NH2 3.23Å; Q939-R942 PolarHBondContact O-N 3.09Å; R942-K944 PolarHBondContact O-N 2.86Å; R942-L945 PolarHBondContact O-N 2.84Å; R942-A946 PolarHBondContact O-N 2.86Å
943	R	78.5	Confident	78.2	Confident	181 Å²	181	49.8 Å²	49.8	68%	0.683	24%	0.238	S	C	*	.	H	α-helix	trans	-58.5	-43.9	175.2	-71	173.3	-176.8	178.5	1.9	112.3	Q939 V940 A941 L947	Q939-R943 WeakPolarHBondContact O-CG 3.14Å; Q939-R943 PolarHBondContact O-N 3.42Å; V940-R943 PolarHBondContact O-N 3.19Å; A941-R943 PolarHBondContact O-N 3.29Å; R943-L947 PolarHBondContact O-N 2.75Å
944	K	76.8	Confident	76.9	Confident	52 Å²	52	53.6 Å²	53.6	23%	0.226	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-39.2	175.8	-71.3	-177.7	178	-173.3	0	113	N661 W901 P903 V940 A941 R942 T948	N661-K944 PolarHBondContact OD1-NZ 3.26Å; W901-K944 PolarHBondContact O-NZ 3.03Å; P903-K944 HydrophobicContact CG-CB 4.36Å; V940-K944 PolarHBondContact O-N 2.98Å; A941-K944 PolarHBondContact O-N 3.19Å; R942-K944 PolarHBondContact O-N 2.86Å; K944-T948 PolarHBondContact O-N 2.92Å; K944-T948 VanDerWaalsContact O-N 3.09Å; K944-T948 PolarHBondContact O-OG1 3.13Å
945	L	79.6	Confident	75	Confident	46 Å²	46	60.3 Å²	60.3	24%	0.241	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-46.3	178.4	-175.3	60.6	0	0	0	111.4	P903 L907 A941 R942 L947 T948 Q949	P903-L945 HydrophobicContact CB-CB 4.32Å; P903-L945 HydrophobicContact CG-CB 4.01Å; L907-L945 HydrophobicContact CD1-CD1 3.57Å; L907-L945 HydrophobicContact CD1-CD2 4.28Å; A941-L945 PolarHBondContact O-N 3.39Å; R942-L945 PolarHBondContact O-N 2.84Å; L945-L947 VanDerWaalsContact C-N 3.34Å; L945-L947 PolarHBondContact O-N 2.97Å; L945-T948 WeakPolarHBondContact O-CA 3.2Å; L945-T948 VanDerWaalsContact O-CB 3.26Å; L945-T948 WeakPolarHBondContact O-CB 3.48Å; L945-T948 PolarHBondContact O-N 3.39Å; L945-Q949 WeakPolarHBondContact O-CG 3.4Å; L945-Q949 PolarHBondContact O-N 3.03Å
946	A	76.4	Confident	72.7	Confident	44 Å²	44	63.4 Å²	63.4	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-58.8	-43.6	177.5	0	0	0	0	0	112.1	R942 T948 Q949 L950	R942-A946 PolarHBondContact O-N 2.86Å; A946-T948 VanDerWaalsContact C-N 3.27Å; A946-T948 PolarHBondContact O-N 2.58Å; A946-Q949 PolarHBondContact O-N 3.29Å; A946-L950 WeakPolarHBondContact O-CB 3.46Å; A946-L950 VanDerWaalsContact O-CG 3.29Å; A946-L950 WeakPolarHBondContact O-CG 3.45Å; A946-L950 PolarHBondContact O-N 2.84Å
947	L	71.1	Confident	70.2	Confident	83 Å²	83	69.9 Å²	69.9	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-35.1	173.7	-178.5	144.3	0	0	0	112.3	L659 R943 L945 I951	L659-L947 HydrophobicContact CD2-CD2 3.85Å; R943-L947 PolarHBondContact O-N 2.75Å; L945-L947 VanDerWaalsContact C-N 3.34Å; L945-L947 PolarHBondContact O-N 2.97Å; L947-I951 HydrophobicContact CD2-CD1 3.73Å; L947-I951 HydrophobicContact CG-CD1 4.04Å; L947-I951 WeakPolarHBondContact O-CD1 3.25Å; L947-I951 WeakPolarHBondContact O-CG1 3.49Å; L947-I951 PolarHBondContact O-N 2.67Å
948	T	71.2	Confident	67.4	Low	11 Å²	11	79.1 Å²	79.1	7%	0.067	37%	0.371	C	S	.	.	H	α-helix	trans	-65.3	-48	174.7	-52	0	0	0	0	111.2	Q904 K944 L945 A946 I951 V952	Q904-T948 PolarHBondContact NE2-OG1 2.95Å; Q904-T948 VanDerWaalsContact NE2-OG1 3.08Å; K944-T948 PolarHBondContact O-N 2.92Å; K944-T948 VanDerWaalsContact O-N 3.09Å; K944-T948 PolarHBondContact O-OG1 3.13Å; L945-T948 WeakPolarHBondContact O-CA 3.2Å; L945-T948 VanDerWaalsContact O-CB 3.26Å; L945-T948 WeakPolarHBondContact O-CB 3.48Å; L945-T948 PolarHBondContact O-N 3.39Å; A946-T948 VanDerWaalsContact C-N 3.27Å; A946-T948 PolarHBondContact O-N 2.58Å; T948-I951 PolarHBondContact O-N 3.33Å; T948-V952 HydrophobicContact CG2-CG2 4.3Å; T948-V952 VanDerWaalsContact O-CB 3.32Å; T948-V952 WeakPolarHBondContact O-CB 3.49Å; T948-V952 VanDerWaalsContact O-CG2 3.24Å; T948-V952 WeakPolarHBondContact O-CG2 3.47Å; T948-V952 PolarHBondContact O-N 2.82Å; T948-V952 VanDerWaalsContact O-N 3.17Å
949	Q	72.7	Confident	64.6	Low	79 Å²	79	84 Å²	84	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-61.6	-46.4	-179.5	-68.4	169.2	-60.1	0	0	111.3	L945 A946 I951 V952 D953	L945-Q949 WeakPolarHBondContact O-CG 3.4Å; L945-Q949 PolarHBondContact O-N 3.03Å; A946-Q949 PolarHBondContact O-N 3.29Å; Q949-I951 PolarHBondContact O-N 3.46Å; Q949-I951 VanDerWaalsContact O-N 3.1Å; Q949-V952 PolarHBondContact O-N 3.07Å; Q949-V952 VanDerWaalsContact O-N 3.13Å; Q949-D953 WeakPolarHBondContact O-CB 3.37Å; Q949-D953 PolarHBondContact O-N 3.28Å
950	L	72.4	Confident	61.7	Low	103 Å²	103	89.2 Å²	89.2	54%	0.539	42%	0.424	S	S	.	.	H	α-helix	trans	-60	-20.6	178.4	-72.8	169.8	0	0	0	115.1	A946	A946-L950 WeakPolarHBondContact O-CB 3.46Å; A946-L950 VanDerWaalsContact O-CG 3.29Å; A946-L950 WeakPolarHBondContact O-CG 3.45Å; A946-L950 PolarHBondContact O-N 2.84Å
951	I	68	Low	59	Low	13 Å²	13	91.3 Å²	91.3	7%	0.067	45%	0.445	C	S	.	.	H	α-helix	trans	-100.3	-21.1	179.8	-69.5	164.2	0	0	0	111.9	L659 L663 L666 L700 H701 L947 T948 Q949	L659-I951 HydrophobicContact CD2-CB 4.19Å; L659-I951 HydrophobicContact CD2-CD1 3.6Å; L659-I951 HydrophobicContact CD2-CG1 4.49Å; L659-I951 HydrophobicContact CD2-CG2 4.16Å; L663-I951 HydrophobicContact CD2-CD1 3.89Å; L663-I951 HydrophobicContact CD2-CG2 4.48Å; L663-I951 HydrophobicContact CG-CD1 4.41Å; L666-I951 HydrophobicContact CD2-CG2 4.37Å; L700-I951 HydrophobicContact CD2-CG2 3.89Å; H701-I951 PolarHBondContact CE1-O 3.22Å; L947-I951 HydrophobicContact CD2-CD1 3.73Å; L947-I951 HydrophobicContact CG-CD1 4.04Å; L947-I951 WeakPolarHBondContact O-CD1 3.25Å; L947-I951 WeakPolarHBondContact O-CG1 3.49Å; L947-I951 PolarHBondContact O-N 2.67Å; T948-I951 PolarHBondContact O-N 3.33Å; Q949-I951 PolarHBondContact O-N 3.46Å; Q949-I951 VanDerWaalsContact O-N 3.1Å
952	V	66.7	Low	56.2	Low	9 Å²	9	96.3 Å²	96.3	6%	0.055	48%	0.477	C	S	.	.	H	α-helix	trans	-112.4	-29.9	-167.1	176	0	0	0	0	112.9	P658 R710 T948 Q949	P658-V952 HydrophobicContact CG-CG1 4.16Å; P658-V952 HydrophobicContact CG-CG2 3.93Å; R710-V952 HydrophobicContact CG-CG1 3.72Å; T948-V952 HydrophobicContact CG2-CG2 4.3Å; T948-V952 VanDerWaalsContact O-CB 3.32Å; T948-V952 WeakPolarHBondContact O-CB 3.49Å; T948-V952 VanDerWaalsContact O-CG2 3.24Å; T948-V952 WeakPolarHBondContact O-CG2 3.47Å; T948-V952 PolarHBondContact O-N 2.82Å; T948-V952 VanDerWaalsContact O-N 3.17Å; Q949-V952 PolarHBondContact O-N 3.07Å; Q949-V952 VanDerWaalsContact O-N 3.13Å
953	D	66.3	Low	53.4	Low	36 Å²	36	96.1 Å²	96.1	19%	0.193	48%	0.482	C	S	.	.			trans	-104.2	92.7	-170.5	-56.6	-32	0	0	0	110.8	R710 Q949 N955	R710-D953 IonicContact NE-OD1 2.63Å; R710-D953 IonicContact NH2-OD1 2.69Å; Q949-D953 WeakPolarHBondContact O-CB 3.37Å; Q949-D953 PolarHBondContact O-N 3.28Å; D953-N955 PolarHBondContact O-N 2.67Å
954	H	56.9	Low	51	Low	86 Å²	86	95.3 Å²	95.3	40%	0.398	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-9.6	-170.6	-67.2	-89.2	0	0	0	117.6	H701 N705	H701-H954 AromaticContact CE1-ND1 3.88Å; H701-H954 AromaticContact CG-CE1 3.98Å; H701-H954 AromaticContact CG-ND1 3.86Å; H701-H954 AromaticContact ND1-CE1 3.36Å; H701-H954 PolarHBondContact ND1-CE1 3.1Å; H701-H954 AromaticContact ND1-ND1 3.4Å; H701-H954 PolarHBondContact ND1-ND1 3.01Å; N705-H954 PolarHBondContact OD1-CE1 2.87Å
955	N	47.6	Very low	48.6	Very low	152 Å²	152	97.4 Å²	97.4	81%	0.813	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	14	-157.3	-95.4	-28.3	0	0	0	116	D953 K957	D953-N955 PolarHBondContact O-N 2.67Å; N955-K957 VanDerWaalsContact C-N 3.31Å; N955-K957 PolarHBondContact O-N 2.62Å
956	Q	37.5	Very low	46.1	Very low	132 Å²	132	101 Å²	101	62%	0.617	54%	0.539	S	S	*	.			trans	-69.5	91.7	166.2	-74.5	-161.8	-6.5	0	0	110.7	Y958	Q956-Y958 PolarHBondContact O-N 3.49Å
957	K	29.8	Very low	43.6	Very low	195 Å²	195	103.8 Å²	103.8	85%	0.848	56%	0.557	S	S	*	*			trans	-49.9	122.5	142.6	-71.3	177.1	179.4	173.3	0	106.1	N955 P959	N955-K957 VanDerWaalsContact C-N 3.31Å; N955-K957 PolarHBondContact O-N 2.62Å; K957-P959 WeakPolarHBondContact O-CD 3.47Å; K957-P959 VanDerWaalsContact O-N 3.15Å
958	Y	26.8	Very low	41.4	Very low	196 Å²	196	106.4 Å²	106.4	77%	0.769	58%	0.578	S	S	*	*			trans	-48.6	125	172.5	-69.7	-87	0	0	0	109	Q956 K960	Q956-Y958 PolarHBondContact O-N 3.49Å; Y958-K960 VanDerWaalsContact C-N 3.35Å; Y958-K960 PolarHBondContact O-N 3.43Å
959	P	26.7	Very low	39.2	Very low	111 Å²	111	109.9 Å²	109.9	72%	0.721	61%	0.609	S	S	*	*			trans	-60	109.9	158.4	26.8	-30.3	0	0	0	105	K957 A961	K957-P959 WeakPolarHBondContact O-CD 3.47Å; K957-P959 VanDerWaalsContact O-N 3.15Å; P959-A961 PolarHBondContact O-N 3.35Å; P959-A961 VanDerWaalsContact O-N 3.16Å
960	K	22.1	Very low	37	Very low	161 Å²	161	111.4 Å²	111.4	70%	0.7	63%	0.628	S	S	*	*			trans	-55.4	125.4	163.5	-82	-169.2	155.6	-140.2	0	105.6	Y958 E963	Y958-K960 VanDerWaalsContact C-N 3.35Å; Y958-K960 PolarHBondContact O-N 3.43Å; K960-E963 IonicContact NZ-OE2 3.88Å; K960-E963 PolarHBondContact NZ-OE2 3.37Å
961	A	24.5	Very low	34.7	Very low	77 Å²	77	113.6 Å²	113.6	64%	0.636	64%	0.64	S	S	*	*			trans	-50.1	141.7	162.8	0	0	0	0	0	107.8	P959 E963	P959-A961 PolarHBondContact O-N 3.35Å; P959-A961 VanDerWaalsContact O-N 3.16Å; A961-E963 VanDerWaalsContact C-N 3.28Å; A961-E963 PolarHBondContact O-N 3.49Å
962	P	26.3	Very low	32.6	Very low	115 Å²	115	121 Å²	121	75%	0.747	68%	0.675	S	S	*	*			trans	-65.9	90.8	-177.6	25.6	-33.2	0	0	0	109.9	I964	P962-I964 HydrophobicContact CB-CG1 4.49Å; P962-I964 PolarHBondContact O-N 3.11Å
963	E	22.8	Very low	30.8	Very low	136 Å²	136	127.8 Å²	127.8	64%	0.636	71%	0.705	S	S	*	*			trans	-63.7	77.1	165.9	-67.1	176.6	131.2	0	0	107.9	K960 A961 S965	K960-E963 IonicContact NZ-OE2 3.88Å; K960-E963 PolarHBondContact NZ-OE2 3.37Å; A961-E963 VanDerWaalsContact C-N 3.28Å; A961-E963 PolarHBondContact O-N 3.49Å; E963-S965 PolarHBondContact O-N 3.47Å; E963-S965 PolarHBondContact O-OG 3.11Å; E963-S965 VanDerWaalsContact O-OG 3.12Å
964	I	28.8	Very low	28.8	Very low	165 Å²	165	132.6 Å²	132.6	85%	0.846	73%	0.731	S	S	*	*			trans	-67.9	76.8	166.1	-57.7	-177	0	0	0	106.7	P962 S966	P962-I964 HydrophobicContact CB-CG1 4.49Å; P962-I964 PolarHBondContact O-N 3.11Å; I964-S966 PolarHBondContact O-N 3.21Å
965	S	26.9	Very low	27.3	Very low	95 Å²	95	133.3 Å²	133.3	66%	0.664	75%	0.746	S	S	*	*			trans	-75.4	117.2	-176	32.2	0	0	0	0	108.2	E963 S967	E963-S965 PolarHBondContact O-N 3.47Å; E963-S965 PolarHBondContact O-OG 3.11Å; E963-S965 VanDerWaalsContact O-OG 3.12Å; S965-S967 PolarHBondContact O-N 2.88Å
966	S	25.9	Very low	26.2	Very low	121 Å²	121	131.8 Å²	131.8	85%	0.846	74%	0.742	S	S	*	*			trans	-61.3	121.2	178.1	49.3	0	0	0	0	111.5	I964	I964-S966 PolarHBondContact O-N 3.21Å
967	S	25.2	Very low	25.8	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	75%	0.75	S	S	*	*			trans	-154.7	125.2	163.3	53.2	0	0	0	0	111.4	S965	S965-S967 PolarHBondContact O-N 2.88Å
968	P	25.1	Very low	25.7	Very low	137 Å²	137	130.1 Å²	130.1	89%	0.89	74%	0.741	S	S	*	*			trans	-99.6	112.1	173.6	33.9	-28.3	0	0	0	111.8
969	A	24.8	Very low	25.7	Very low	85 Å²	85	127 Å²	127	70%	0.702	74%	0.738	S	S	*	*			trans	-152.9	114.6	170.8	0	0	0	0	0	108.3
970	S	26.2	Very low	25.9	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	74%	0.739	S	S	*	*				78.5	124.8	61.6	78.6	0	0	0	0	114.1
971	N	23.2	Very low	26.2	Very low	149 Å²	149	125.8 Å²	125.8	80%	0.797	74%	0.741	S	S	*	*			trans	7.4	118.5	164.8	-64	-11.4	0	0	0	119.4
972	Q	24.4	Very low	26.7	Very low	169 Å²	169	127.3 Å²	127.3	79%	0.79	75%	0.745	S	S	*	*			trans	46.2	133	130.3	-74.4	-174.9	-16.1	0	0	121.4
973	H	28.7	Very low	26.9	Very low	151 Å²	151	131 Å²	131	70%	0.699	75%	0.749	S	S	*	*			trans	78.2	98	154.9	-70	-62.1	0	0	0	119.6
974	D	24.4	Very low	27.2	Very low	136 Å²	136	131.2 Å²	131.2	73%	0.727	76%	0.76	S	S	*	*				69.5	139.2	120.1	-68.5	-52.3	0	0	0	122.9
975	S	24.8	Very low	27.3	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	76%	0.758	S	S	*	*			trans	83.3	104.9	147.2	68.3	0	0	0	0	121.4
976	T	26.3	Very low	27.4	Very low	120 Å²	120	131 Å²	131	74%	0.736	76%	0.762	S	S	*	*				70.9	127	129.6	52.1	0	0	0	0	123.5
977	Q	28.9	Very low	27.5	Very low	167 Å²	167	132.3 Å²	132.3	78%	0.78	76%	0.759	S	S	*	*			trans	87	114.1	139.8	-73.8	175.8	-30.6	0	0	122.3
978	D	25.9	Very low	27.9	Very low	125 Å²	125	133.3 Å²	133.3	67%	0.668	76%	0.76	S	S	*	*				78.6	116.1	123.1	-70.2	28.1	0	0	0	125.1
979	N	27.1	Very low	28.1	Very low	131 Å²	131	133.1 Å²	133.1	70%	0.701	75%	0.752	S	S	*	*			trans	86.5	122.4	132.1	-64.2	-34.5	0	0	0	125.3
980	N	30.7	Very low	28.3	Very low	139 Å²	139	135.6 Å²	135.6	74%	0.743	75%	0.753	S	S	*	*			trans	79.6	103.2	138	-60.8	-23.4	0	0	0	125.7
981	S	28.9	Very low	28.7	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	76%	0.76	S	S	*	*				43.1	168.2	120.7	62.8	0	0	0	0	124.7
982	P	35.1	Very low	29	Very low	110 Å²	110	140.7 Å²	140.7	71%	0.714	76%	0.764	S	S	*	*			cis	-144.8	173.2	-38.3	39.4	-20.6	0	0	0	118.9
983	K	29.9	Very low	29.3	Very low	193 Å²	193	139.8 Å²	139.8	84%	0.839	76%	0.763	S	S	*	*			trans	71.5	131.4	152.5	-75.5	177.7	178	-171.8	0	124.7
984	T	30.4	Very low	29.3	Very low	140 Å²	140	138.4 Å²	138.4	86%	0.859	76%	0.761	S	S	*	*			trans	162.4	175	132.4	35.5	0	0	0	0	113.8
985	D	29.6	Very low	29.5	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	76%	0.76	S	S	*	*			trans	-128.5	157.7	-149.7	-42.8	-87.5	0	0	0	119.4
986	S	29.6	Very low	29.4	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	76%	0.759	S	S	*	*			trans	91.7	136.2	143.9	76.2	0	0	0	0	125.9
987	N	29	Very low	29.3	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	77%	0.766	S	S	*	*			trans	87.2	114	141.4	-68.6	-1.5	0	0	0	127.2
988	V	33.6	Very low	29.2	Very low	124 Å²	124	138.5 Å²	138.5	75%	0.752	76%	0.757	S	S	*	*				92.3	130.5	122.3	172.3	0	0	0	0	124.1
989	D	28.9	Very low	29.2	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	76%	0.759	S	S	*	*			trans	85.5	123.1	149.9	-91.1	22.7	0	0	0	129.1
990	N	29.5	Very low	29.2	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	76%	0.764	S	S	*	*			trans	55.3	119.3	131.6	-78.3	-50	0	0	0	125.6
991	S	34.8	Very low	29.1	Very low	130 Å²	130	138.9 Å²	138.9	91%	0.909	76%	0.758	S	S	*	*				176.5	167.6	129.3	42.1	0	0	0	0	114.3
992	R	27.9	Very low	29	Very low	237 Å²	237	141.5 Å²	141.5	89%	0.894	76%	0.764	S	S	*	*			trans	-112	156.5	-175.7	-64.6	172.4	171	160.3	-4.8	112.5
993	I	31.7	Very low	28.5	Very low	150 Å²	150	145.3 Å²	145.3	77%	0.769	77%	0.772	S	S	*	*			trans	157.8	136.2	138.5	-84.8	158.1	0	0	0	111.9
994	N	28.1	Very low	28.4	Very low	122 Å²	122	144 Å²	144	65%	0.652	77%	0.774	S	S	*	*			trans	59.7	120.9	171.9	-61.8	-0.6	0	0	0	117.3
995	Q	28.2	Very low	28.2	Very low	152 Å²	152	143.3 Å²	143.3	71%	0.71	77%	0.77	S	S	*	*				65.5	116.2	67.3	-67.9	-170.4	-65.9	0	0	113.8
996	D	22.7	Very low	27.8	Very low	127 Å²	127	143.3 Å²	143.3	68%	0.679	77%	0.77	S	S	*	*			cis	-146	176.9	-8.7	-86.6	-49.8	0	0	0	109
997	C	24.1	Very low	27.7	Very low	131 Å²	131	146 Å²	146	89%	0.885	78%	0.775	S	S	*	*			trans	71	77.7	-176.7	-54.3	0	0	0	0	115.6
998	I	28	Very low	27.5	Very low	116 Å²	116	145.4 Å²	145.4	60%	0.595	78%	0.777	S	S	*	*			trans	-137.8	132.9	179.6	-59.8	174.8	0	0	0	107.9
999	S	26	Very low	27	Very low	102 Å²	102	149 Å²	149	71%	0.713	79%	0.786	S	S	*	*			cis	88.1	68.5	19.4	89.2	0	0	0	0	117.7
1000	R	25.9	Very low	26.8	Very low	211 Å²	211	147.4 Å²	147.4	80%	0.796	79%	0.785	S	S	*	*			trans	-157.7	122.1	155	-80.5	110.6	-166.2	-131.5	2.6	107.5
1001	S	29.6	Very low	26.6	Very low	91 Å²	91	146.9 Å²	146.9	64%	0.636	79%	0.787	S	S	*	*			cis	84.5	46	49.1	84.6	0	0	0	0	115.1
1002	D	27.6	Very low	26.1	Very low	160 Å²	160	149.7 Å²	149.7	86%	0.856	79%	0.786	S	S	*	*			trans	41.4	105.5	131.5	-44.7	-4.1	0	0	0	117.8
1003	Q	23.5	Very low	25.9	Very low	191 Å²	191	149.2 Å²	149.2	89%	0.893	78%	0.784	S	S	*	*			trans	-118.4	79	171.7	-71	-171.3	-18.5	0	0	111.5
1004	D	27.9	Very low	25.7	Very low	165 Å²	165	151.1 Å²	151.1	88%	0.882	79%	0.789	S	S	*	*			trans	-130.4	65.8	170.8	-102.8	-45.3	0	0	0	111.2
1005	T	25.2	Very low	25.5	Very low	125 Å²	125	151 Å²	151	77%	0.767	80%	0.798	S	S	*	*			trans	-137.2	150.1	166.1	50.7	0	0	0	0	110.2
1006	N	23.2	Very low	25.4	Very low	151 Å²	151	151.3 Å²	151.3	81%	0.807	81%	0.805	S	S	*	*			trans	83.9	64.4	-179	-50	-37.8	0	0	0	117.6
1007	L	27	Very low	25.5	Very low	161 Å²	161	150 Å²	150	84%	0.843	80%	0.801	S	S	*	*			trans	-137.9	52.2	142.4	-115.8	174.9	0	0	0	111.6
1008	V	25.1	Very low	25.7	Very low	137 Å²	137	153.2 Å²	153.2	83%	0.83	80%	0.8	S	S	*	*			trans	-124.3	63.3	-178.3	-171.3	0	0	0	0	110.5
1009	E	21.7	Very low	25.7	Very low	200 Å²	200	151.3 Å²	151.3	94%	0.935	80%	0.797	S	S	*	*			trans	-165.3	45.5	158.9	-117.6	167.7	-159.6	0	0	116.4
1010	S	24.4	Very low	25.9	Very low	98 Å²	98	151.6 Å²	151.6	69%	0.685	79%	0.794	S	S	*	*			trans	-162.2	107.4	160.5	56.7	0	0	0	0	109.8
1011	T	27.1	Very low	26.4	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	79%	0.79	S	S	*	*				-153.1	122.2	60.4	-63.3	0	0	0	0	111.1
1012	Q	23.3	Very low	26.8	Very low	189 Å²	189	152.1 Å²	152.1	88%	0.883	80%	0.798	S	S	*	*			trans	-78.9	124	161.2	-70.9	-177.6	-6.3	0	0	109.8
1013	R	24.6	Very low	28	Very low	227 Å²	227	146.4 Å²	146.4	86%	0.857	77%	0.767	S	S	*	*			trans	-165.4	134.3	150.5	-104.8	146.4	-159.5	-146.6	2.8	111.4
1014	Q	27.1	Very low	29.1	Very low	190 Å²	190	140.5 Å²	140.5	89%	0.888	74%	0.744	S	S	*	*			trans	62.9	69.3	164.7	-58.8	-177.7	-3.3	0	0	117
1015	S	23.3	Very low	30.2	Very low	119 Å²	119	142.9 Å²	142.9	83%	0.832	74%	0.741	S	S	*	*			trans	-66.9	126.3	156.2	51.8	0	0	0	0	111.2
1016	N	26.3	Very low	31.6	Very low	159 Å²	159	140.8 Å²	140.8	85%	0.85	73%	0.732	S	S	*	*			trans	-143.7	125.8	166.2	-136.3	-25	0	0	0	110.2
1017	T	25.2	Very low	33.2	Very low	99 Å²	99	137.6 Å²	137.6	61%	0.607	71%	0.712	S	S	*	*			trans	-90	109.5	-157.1	52.2	0	0	0	0	113.7
1018	K	27.7	Very low	34.5	Very low	198 Å²	198	133 Å²	133	86%	0.861	69%	0.687	S	S	*	*			trans	-142.4	105.7	167.6	-67.9	-169.6	178.7	-179.2	0	113.4
1019	S	27.1	Very low	36.2	Very low	77 Å²	77	129.9 Å²	129.9	54%	0.538	67%	0.665	S	S	.	*			trans	46.3	89.4	155	57.9	0	0	0	0	118.9	S1021	S1019-S1021 PolarHBondContact O-N 2.89Å
1020	V	31.5	Very low	38.1	Very low	107 Å²	107	126 Å²	126	65%	0.648	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	31.1	176.6	-160.7	0	0	0	0	113.7
1021	S	35.7	Very low	39.9	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-11	175.3	60.9	0	0	0	0	113.6	S1019	S1019-S1021 PolarHBondContact O-N 2.89Å
1022	R	39.3	Very low	41.6	Very low	212 Å²	212	118.3 Å²	118.3	80%	0.8	59%	0.593	S	S	*	*	S	Bend	trans	-107.7	143	165.1	-72.3	-179.5	174.7	169.5	-1.3	108.3
1023	L	52	Low	43.4	Very low	40 Å²	40	116.7 Å²	116.7	21%	0.209	58%	0.579	C	S	.	*			trans	-57.3	139.9	159.8	-66.4	157.8	0	0	0	108.4	I760 W901 E1027 L1031	I760-L1023 HydrophobicContact CD1-CD1 3.98Å; W901-L1023 HydrophobicContact CH2-CD1 3.69Å; W901-L1023 HydrophobicContact CZ2-CD1 4.47Å; W901-L1023 HydrophobicContact CZ3-CD1 3.93Å; W901-L1023 HydrophobicContact CZ3-CD2 4.21Å; W901-L1023 HydrophobicContact CZ3-CG 4.38Å; L1023-E1027 HydrophobicContact CB-CB 4.34Å; L1023-E1027 HydrophobicContact CD2-CB 4.01Å; L1023-L1031 HydrophobicContact CD1-CD1 3.43Å; L1023-L1031 VanDerWaalsContact CD1-CD1 3.43Å; L1023-L1031 HydrophobicContact CD2-CD1 3.71Å; L1023-L1031 HydrophobicContact CG-CD1 4.18Å
1024	T	46.4	Very low	44.9	Very low	67 Å²	67	107.8 Å²	107.8	41%	0.411	55%	0.551	S	S	.	*			trans	-61.4	155.1	164.5	59.5	0	0	0	0	109.7	S1026 E1027 M1028	T1024-S1026 WeakPolarHBondContact CB-OG 3.48Å; T1024-S1026 PolarHBondContact O-N 3.21Å; T1024-S1026 PolarHBondContact OG1-OG 2.92Å; T1024-E1027 WeakPolarHBondContact CB-OE2 3.47Å; T1024-E1027 WeakPolarHBondContact CG2-OE2 3.29Å; T1024-E1027 PolarHBondContact N-OE2 3.44Å; T1024-E1027 PolarHBondContact O-N 3.42Å; T1024-E1027 WeakPolarHBondContact OG1-CB 3.49Å; T1024-E1027 VanDerWaalsContact OG1-CD 3.32Å; T1024-E1027 VanDerWaalsContact OG1-CG 3.23Å; T1024-E1027 WeakPolarHBondContact OG1-CG 3.4Å; T1024-E1027 PolarHBondContact OG1-N 3.11Å; T1024-E1027 VanDerWaalsContact OG1-N 3.12Å; T1024-E1027 PolarHBondContact OG1-OE2 3.46Å; T1024-M1028 WeakPolarHBondContact O-CB 3.24Å; T1024-M1028 PolarHBondContact O-N 2.95Å
1025	R	51	Low	46.2	Very low	215 Å²	215	99 Å²	99	81%	0.811	51%	0.513	S	S	*	.	H	α-helix	trans	-57	-37.4	174	-79.9	-176.4	174.2	169.2	-4.2	111.2	M1028 D1029	R1025-M1028 WeakPolarHBondContact O-CB 3.32Å; R1025-M1028 PolarHBondContact O-N 3.41Å; R1025-D1029 WeakPolarHBondContact O-CB 3.34Å; R1025-D1029 PolarHBondContact O-N 2.79Å
1026	S	54.7	Low	47.8	Very low	81 Å²	81	96 Å²	96	57%	0.566	49%	0.489	S	S	*	.	H	α-helix	trans	-56.7	-51	171.9	32	0	0	0	0	113.7	T1024 M1028 D1029 E1030	T1024-S1026 WeakPolarHBondContact CB-OG 3.48Å; T1024-S1026 PolarHBondContact O-N 3.21Å; T1024-S1026 PolarHBondContact OG1-OG 2.92Å; S1026-M1028 VanDerWaalsContact C-N 3.3Å; S1026-M1028 PolarHBondContact O-N 3.28Å; S1026-D1029 PolarHBondContact O-N 3.47Å; S1026-E1030 WeakPolarHBondContact O-CB 3.39Å; S1026-E1030 PolarHBondContact O-N 2.98Å
1027	E	56.4	Low	49.1	Very low	84 Å²	84	95.2 Å²	95.2	39%	0.393	48%	0.48	S	S	.	.	H	α-helix	trans	-66.1	-33.8	176.3	-70.4	161.5	119.1	0	0	111.7	L1023 T1024 L1031	L1023-E1027 HydrophobicContact CB-CB 4.34Å; L1023-E1027 HydrophobicContact CD2-CB 4.01Å; T1024-E1027 WeakPolarHBondContact CB-OE2 3.47Å; T1024-E1027 WeakPolarHBondContact CG2-OE2 3.29Å; T1024-E1027 PolarHBondContact N-OE2 3.44Å; T1024-E1027 PolarHBondContact O-N 3.42Å; T1024-E1027 WeakPolarHBondContact OG1-CB 3.49Å; T1024-E1027 VanDerWaalsContact OG1-CD 3.32Å; T1024-E1027 VanDerWaalsContact OG1-CG 3.23Å; T1024-E1027 WeakPolarHBondContact OG1-CG 3.4Å; T1024-E1027 PolarHBondContact OG1-N 3.11Å; T1024-E1027 VanDerWaalsContact OG1-N 3.12Å; T1024-E1027 PolarHBondContact OG1-OE2 3.46Å; E1027-L1031 VanDerWaalsContact O-CB 3.27Å; E1027-L1031 WeakPolarHBondContact O-CB 3.19Å; E1027-L1031 WeakPolarHBondContact O-CD1 3.38Å; E1027-L1031 WeakPolarHBondContact O-CG 3.45Å; E1027-L1031 PolarHBondContact O-N 3.08Å
1028	M	55.4	Low	50.4	Low	65 Å²	65	92.9 Å²	92.9	32%	0.32	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-43.6	176.8	-169.5	178	-55.5	0	0	111.7	I760 T1024 R1025 S1026 L1031 L1032	I760-M1028 HydrophobicContact CD1-CG 4.22Å; T1024-M1028 WeakPolarHBondContact O-CB 3.24Å; T1024-M1028 PolarHBondContact O-N 2.95Å; R1025-M1028 WeakPolarHBondContact O-CB 3.32Å; R1025-M1028 PolarHBondContact O-N 3.41Å; S1026-M1028 VanDerWaalsContact C-N 3.3Å; S1026-M1028 PolarHBondContact O-N 3.28Å; M1028-L1031 WeakPolarHBondContact O-CB 3.07Å; M1028-L1031 PolarHBondContact O-N 3.21Å; M1028-L1032 HydrophobicContact CG-CD1 4.41Å; M1028-L1032 VanDerWaalsContact O-CG 3.29Å; M1028-L1032 WeakPolarHBondContact O-CG 3.31Å; M1028-L1032 PolarHBondContact O-N 3.44Å
1029	D	59.6	Low	51.8	Low	70 Å²	70	84 Å²	84	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-67.8	-40.6	175.5	-66	-8.6	0	0	0	111.4	R1025 S1026 L1032 R1033	R1025-D1029 WeakPolarHBondContact O-CB 3.34Å; R1025-D1029 PolarHBondContact O-N 2.79Å; S1026-D1029 PolarHBondContact O-N 3.47Å; D1029-L1032 PolarHBondContact O-N 2.99Å; D1029-R1033 WeakPolarHBondContact O-CB 3.43Å; D1029-R1033 WeakPolarHBondContact O-CG 3.16Å; D1029-R1033 PolarHBondContact O-N 3.24Å; D1029-R1033 IonicContact OD2-NH2 2.84Å; D1029-R1033 PolarHBondContact OD2-NH2 2.94Å
1030	E	62.6	Low	53.2	Low	120 Å²	120	83.9 Å²	83.9	56%	0.561	42%	0.423	S	S	*	.	H	α-helix	trans	-61.3	-45	174.8	-170.8	-167.8	146.5	0	0	111.2	S1026 L1032 R1033 S1034	S1026-E1030 WeakPolarHBondContact O-CB 3.39Å; S1026-E1030 PolarHBondContact O-N 2.98Å; E1030-L1032 PolarHBondContact O-N 3.26Å; E1030-R1033 PolarHBondContact O-N 3.08Å; E1030-S1034 VanDerWaalsContact O-CB 3.31Å; E1030-S1034 WeakPolarHBondContact O-CB 3.5Å; E1030-S1034 PolarHBondContact O-N 3.21Å; E1030-S1034 PolarHBondContact O-OG 2.97Å
1031	L	60.5	Low	54.2	Low	19 Å²	19	83 Å²	83	10%	0.099	43%	0.426	C	S	.	.	H	α-helix	trans	-56.7	-48.3	173.4	-79.9	165.1	0	0	0	111.7	W901 K936 L1023 E1027 M1028 S1034	W901-L1031 HydrophobicContact CH2-CD1 4.12Å; K936-L1031 HydrophobicContact CB-CD2 3.31Å; K936-L1031 HydrophobicContact CD-CD2 4.44Å; K936-L1031 HydrophobicContact CG-CD2 3.92Å; L1023-L1031 HydrophobicContact CD1-CD1 3.43Å; L1023-L1031 VanDerWaalsContact CD1-CD1 3.43Å; L1023-L1031 HydrophobicContact CD2-CD1 3.71Å; L1023-L1031 HydrophobicContact CG-CD1 4.18Å; E1027-L1031 VanDerWaalsContact O-CB 3.27Å; E1027-L1031 WeakPolarHBondContact O-CB 3.19Å; E1027-L1031 WeakPolarHBondContact O-CD1 3.38Å; E1027-L1031 WeakPolarHBondContact O-CG 3.45Å; E1027-L1031 PolarHBondContact O-N 3.08Å; M1028-L1031 WeakPolarHBondContact O-CB 3.07Å; M1028-L1031 PolarHBondContact O-N 3.21Å; L1031-S1034 PolarHBondContact O-OG 3.42Å
1032	L	63.2	Low	54.9	Low	44 Å²	44	80.4 Å²	80.4	23%	0.23	41%	0.408	C	S	.	.	H	α-helix	trans	-66.9	-46.9	-179.6	-70.9	168.7	0	0	0	112	L744 L763 M1028 D1029 E1030 S1034 G1035	L744-L1032 HydrophobicContact CD2-CD2 4.1Å; L763-L1032 HydrophobicContact CD1-CD2 3.98Å; M1028-L1032 HydrophobicContact CG-CD1 4.41Å; M1028-L1032 VanDerWaalsContact O-CG 3.29Å; M1028-L1032 WeakPolarHBondContact O-CG 3.31Å; M1028-L1032 PolarHBondContact O-N 3.44Å; D1029-L1032 PolarHBondContact O-N 2.99Å; E1030-L1032 PolarHBondContact O-N 3.26Å; L1032-S1034 VanDerWaalsContact C-N 3.34Å; L1032-S1034 PolarHBondContact O-N 3.44Å; L1032-G1035 PolarHBondContact O-N 3.45Å
1033	R	61.5	Low	55.1	Low	155 Å²	155	77 Å²	77	59%	0.585	41%	0.406	S	S	*	.	H	α-helix	trans	-57.9	-44.7	177.2	-70.9	170	-148.2	174.9	7.3	111.8	D1029 E1030 G1035 V1036	D1029-R1033 WeakPolarHBondContact O-CB 3.43Å; D1029-R1033 WeakPolarHBondContact O-CG 3.16Å; D1029-R1033 PolarHBondContact O-N 3.24Å; D1029-R1033 IonicContact OD2-NH2 2.84Å; D1029-R1033 PolarHBondContact OD2-NH2 2.94Å; E1030-R1033 PolarHBondContact O-N 3.08Å; R1033-G1035 PolarHBondContact O-N 3.21Å; R1033-V1036 WeakPolarHBondContact O-CB 3.43Å; R1033-V1036 PolarHBondContact O-N 3.1Å
1034	S	56	Low	55	Low	40 Å²	40	78 Å²	78	28%	0.28	41%	0.411	S	S	.	.	H	α-helix	trans	-65.2	-11.8	-176.3	70.7	0	0	0	0	115.4	K936 E1030 L1031 L1032	K936-S1034 VanDerWaalsContact CE-OG 3.25Å; K936-S1034 WeakPolarHBondContact CE-OG 3.4Å; E1030-S1034 VanDerWaalsContact O-CB 3.31Å; E1030-S1034 WeakPolarHBondContact O-CB 3.5Å; E1030-S1034 PolarHBondContact O-N 3.21Å; E1030-S1034 PolarHBondContact O-OG 2.97Å; L1031-S1034 PolarHBondContact O-OG 3.42Å; L1032-S1034 VanDerWaalsContact C-N 3.34Å; L1032-S1034 PolarHBondContact O-N 3.44Å
1035	G	54	Low	55	Low	7 Å²	7	80.6 Å²	80.6	7%	0.072	43%	0.43	C	S	.	.	H	α-helix	trans	-90.6	-21.1	169.4	0	0	0	0	0	114.3	L1032 R1033 L1039	L1032-G1035 PolarHBondContact O-N 3.45Å; R1033-G1035 PolarHBondContact O-N 3.21Å; G1035-L1039 WeakPolarHBondContact O-CD1 3.39Å
1036	V	57.5	Low	54.9	Low	54 Å²	54	73.9 Å²	73.9	33%	0.327	41%	0.405	S	S	.	.	H	α-helix	trans	-74.2	-47.4	-174.3	175.5	0	0	0	0	111.2	L744 R1033 A1038 L1039 F1040	L744-V1036 HydrophobicContact CD1-CG2 4.12Å; R1033-V1036 WeakPolarHBondContact O-CB 3.43Å; R1033-V1036 PolarHBondContact O-N 3.1Å; V1036-A1038 VanDerWaalsContact C-N 3.32Å; V1036-A1038 PolarHBondContact O-N 3.01Å; V1036-L1039 PolarHBondContact O-N 2.95Å; V1036-F1040 HydrophobicContact CG1-CD2 3.82Å; V1036-F1040 HydrophobicContact CG1-CE2 3.99Å; V1036-F1040 HydrophobicContact CG1-CG 4.36Å; V1036-F1040 VanDerWaalsContact O-CD2 3.25Å; V1036-F1040 WeakPolarHBondContact O-CD2 3.44Å; V1036-F1040 PolarHBondContact O-N 3.14Å
1037	E	53.3	Low	54.5	Low	143 Å²	143	74 Å²	74	67%	0.668	40%	0.402	S	S	*	.	H	α-helix	trans	-58.8	-40.5	-171.3	-67.8	166.8	178.9	0	0	112.7
1038	A	52.7	Low	54.1	Low	50 Å²	50	74.3 Å²	74.3	41%	0.413	41%	0.41	S	S	.	.	H	α-helix	trans	-77.3	-23.8	177.4	0	0	0	0	0	114.5	H931 V1036	H931-A1038 HydrophobicContact CB-CB 4.28Å; V1036-A1038 VanDerWaalsContact C-N 3.32Å; V1036-A1038 PolarHBondContact O-N 3.01Å
1039	L	57.8	Low	53.9	Low	11 Å²	11	77.6 Å²	77.6	6%	0.058	42%	0.422	C	S	.	.	H	α-helix	trans	-88.8	-11.7	-177.8	-87.2	170.3	0	0	0	114.3	M732 R737 Y740 L744 G1035 V1036	M732-L1039 HydrophobicContact CE-CD1 4.4Å; M732-L1039 HydrophobicContact CE-CD2 4.03Å; R737-L1039 HydrophobicContact CG-CD2 3.65Å; Y740-L1039 HydrophobicContact CD1-CD1 3.33Å; Y740-L1039 HydrophobicContact CE1-CD1 3.67Å; Y740-L1039 HydrophobicContact CG-CD1 4.39Å; L744-L1039 HydrophobicContact CD1-CD1 3.86Å; G1035-L1039 WeakPolarHBondContact O-CD1 3.39Å; V1036-L1039 PolarHBondContact O-N 2.95Å
1040	F	55.2	Low	53.7	Low	76 Å²	76	75.5 Å²	75.5	33%	0.333	41%	0.411	S	S	.	.	S	Bend	trans	-113.5	4	-178.3	-73.7	-112.4	0	0	0	112.5	K741 T745 V1036 S1042	K741-F1040 HydrophobicContact CD-CE2 4.4Å; K741-F1040 HydrophobicContact CD-CZ 4.24Å; K741-F1040 VanDerWaalsContact CE-CE1 3.45Å; K741-F1040 HydrophobicContact CG-CE1 4.48Å; K741-F1040 HydrophobicContact CG-CE2 3.93Å; K741-F1040 HydrophobicContact CG-CZ 3.76Å; T745-F1040 HydrophobicContact CG2-CE1 4.3Å; T745-F1040 HydrophobicContact CG2-CZ 3.7Å; V1036-F1040 HydrophobicContact CG1-CD2 3.82Å; V1036-F1040 HydrophobicContact CG1-CE2 3.99Å; V1036-F1040 HydrophobicContact CG1-CG 4.36Å; V1036-F1040 VanDerWaalsContact O-CD2 3.25Å; V1036-F1040 WeakPolarHBondContact O-CD2 3.44Å; V1036-F1040 PolarHBondContact O-N 3.14Å; F1040-S1042 PolarHBondContact O-N 2.92Å
1041	A	53.6	Low	53.1	Low	87 Å²	87	70.6 Å²	70.6	72%	0.719	39%	0.389	S	S	*	.	S	Bend	trans	-78.2	5	172.5	0	0	0	0	0	114.3
1042	S	51	Low	52.8	Low	49 Å²	49	76.8 Å²	76.8	34%	0.343	41%	0.412	S	S	.	.	S	Bend	trans	-133.3	106.1	176.3	63.6	0	0	0	0	110.2	F1040 D1044	F1040-S1042 PolarHBondContact O-N 2.92Å; S1042-D1044 PolarHBondContact O-N 3.23Å
1043	D	41.9	Very low	52.3	Low	140 Å²	140	76.8 Å²	76.8	75%	0.749	41%	0.412	S	S	*	.			trans	-89.5	63.4	-173.2	-78.2	-46.6	0	0	0	113.4	P1045	D1043-P1045 WeakPolarHBondContact O-CD 3.44Å
1044	D	50.7	Low	51.9	Low	61 Å²	61	71.4 Å²	71.4	33%	0.326	40%	0.4	S	S	.	.			trans	-83.3	118.1	168.7	-78.7	8.3	0	0	0	110.9	S1042 Y1046	S1042-D1044 PolarHBondContact O-N 3.23Å; D1044-Y1046 HydrophobicContact CB-CD1 4.21Å; D1044-Y1046 HydrophobicContact CB-CE1 3.5Å; D1044-Y1046 VanDerWaalsContact CB-CE1 3.5Å; D1044-Y1046 HydrophobicContact CB-CE2 3.93Å; D1044-Y1046 WeakPolarHBondContact CB-OH 3.16Å; D1044-Y1046 PolarHBondContact O-N 2.93Å; D1044-Y1046 VanDerWaalsContact OD2-CZ 3.32Å; D1044-Y1046 PolarHBondContact OD2-OH 3.2Å
1045	P	47.4	Very low	51.6	Low	122 Å²	122	69.8 Å²	69.8	79%	0.792	39%	0.389	S	S	*	.			trans	-85.8	102.9	173.5	33	-31.9	0	0	0	111.1	D1043	D1043-P1045 WeakPolarHBondContact O-CD 3.44Å
1046	Y	48.9	Very low	51.4	Low	73 Å²	73	76.8 Å²	76.8	29%	0.286	41%	0.414	S	S	.	.			trans	-95.5	144.1	177.8	-52.8	-53.6	0	0	0	113.2	R738 D1044 D1050	R738-Y1046 HydrophobicContact CG-CD2 3.92Å; R738-Y1046 HydrophobicContact CG-CE2 4.1Å; D1044-Y1046 HydrophobicContact CB-CD1 4.21Å; D1044-Y1046 HydrophobicContact CB-CE1 3.5Å; D1044-Y1046 VanDerWaalsContact CB-CE1 3.5Å; D1044-Y1046 HydrophobicContact CB-CE2 3.93Å; D1044-Y1046 WeakPolarHBondContact CB-OH 3.16Å; D1044-Y1046 PolarHBondContact O-N 2.93Å; D1044-Y1046 VanDerWaalsContact OD2-CZ 3.32Å; D1044-Y1046 PolarHBondContact OD2-OH 3.2Å; Y1046-D1050 VanDerWaalsContact CA-OD2 3.25Å; Y1046-D1050 WeakPolarHBondContact CA-OD2 3.28Å
1047	T	46.4	Very low	51.1	Low	84 Å²	84	77.4 Å²	77.4	52%	0.515	42%	0.417	S	S	.	.			trans	-96.6	159.1	173.4	-50.8	0	0	0	0	111	K1049 D1050	T1047-K1049 HydrophobicContact CG2-CB 4.44Å; T1047-K1049 PolarHBondContact O-N 3.4Å; T1047-D1050 WeakPolarHBondContact CB-OD1 3.31Å; T1047-D1050 VanDerWaalsContact N-CG 3.31Å; T1047-D1050 PolarHBondContact N-OD2 2.97Å; T1047-D1050 VanDerWaalsContact O-CB 3.31Å; T1047-D1050 WeakPolarHBondContact O-CB 3.23Å; T1047-D1050 VanDerWaalsContact O-CG 3.27Å; T1047-D1050 PolarHBondContact O-N 3Å
1048	T	47.3	Very low	50.5	Low	90 Å²	90	75.7 Å²	75.7	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-59.2	-24.8	175	51.6	0	0	0	0	113.7	L1051	T1048-L1051 PolarHBondContact O-N 3.42Å
1049	K	51.1	Low	49.7	Very low	135 Å²	135	79.4 Å²	79.4	59%	0.587	42%	0.422	S	S	*	.	H	α-helix	trans	-63.3	-44.2	173.4	-163.3	-164.3	170.7	-148.3	0	111.2	T1047 L1051 Y1052 D1053	T1047-K1049 HydrophobicContact CG2-CB 4.44Å; T1047-K1049 PolarHBondContact O-N 3.4Å; K1049-L1051 PolarHBondContact O-N 2.76Å; K1049-Y1052 WeakPolarHBondContact O-CA 3.47Å; K1049-Y1052 WeakPolarHBondContact O-CB 3.4Å; K1049-Y1052 PolarHBondContact O-N 3.15Å; K1049-D1053 VanDerWaalsContact CE-OD2 3.29Å; K1049-D1053 WeakPolarHBondContact CE-OD2 3.38Å; K1049-D1053 IonicContact NZ-OD2 2.71Å; K1049-D1053 PolarHBondContact NZ-OD2 2.68Å; K1049-D1053 PolarHBondContact O-N 2.84Å
1050	D	55.7	Low	48.6	Very low	26 Å²	26	83 Å²	83	14%	0.139	44%	0.44	C	S	.	.	H	α-helix	trans	-61.2	-20.1	-179.2	-37	-0.3	0	0	0	112.6	R738 Y1046 T1047 A1054	R738-D1050 PolarHBondContact NH1-O 3.07Å; Y1046-D1050 VanDerWaalsContact CA-OD2 3.25Å; Y1046-D1050 WeakPolarHBondContact CA-OD2 3.28Å; T1047-D1050 WeakPolarHBondContact CB-OD1 3.31Å; T1047-D1050 VanDerWaalsContact N-CG 3.31Å; T1047-D1050 PolarHBondContact N-OD2 2.97Å; T1047-D1050 VanDerWaalsContact O-CB 3.31Å; T1047-D1050 WeakPolarHBondContact O-CB 3.23Å; T1047-D1050 VanDerWaalsContact O-CG 3.27Å; T1047-D1050 PolarHBondContact O-N 3Å; D1050-A1054 WeakPolarHBondContact O-CB 3.48Å; D1050-A1054 PolarHBondContact O-N 3.24Å
1051	L	49.9	Very low	47.6	Very low	17 Å²	17	89.3 Å²	89.3	9%	0.089	47%	0.47	C	S	.	.	H	α-helix	trans	-74.8	-33.4	171.9	-103	94.6	0	0	0	113	L735 Y742 I779 T1048 K1049 A1055	L735-L1051 HydrophobicContact CD1-CD2 4.25Å; L735-L1051 HydrophobicContact CD1-CG 4.48Å; Y742-L1051 HydrophobicContact CE2-CD1 4.24Å; Y742-L1051 HydrophobicContact CE2-CD2 4.35Å; I779-L1051 HydrophobicContact CD1-CD2 4.11Å; T1048-L1051 PolarHBondContact O-N 3.42Å; K1049-L1051 PolarHBondContact O-N 2.76Å; L1051-A1055 WeakPolarHBondContact O-CB 3.45Å
1052	Y	53.1	Low	46.5	Very low	148 Å²	148	89.8 Å²	89.8	58%	0.58	47%	0.469	S	S	*	.	H	α-helix	trans	-76.9	-42.7	172.8	-76.6	-81.8	0	0	0	110.9	K1049 A1055 R1056	K1049-Y1052 WeakPolarHBondContact O-CA 3.47Å; K1049-Y1052 WeakPolarHBondContact O-CB 3.4Å; K1049-Y1052 PolarHBondContact O-N 3.15Å; Y1052-A1055 PolarHBondContact O-N 3.04Å; Y1052-R1056 PolarHBondContact O-N 2.9Å
1053	D	53.7	Low	45.5	Very low	45 Å²	45	95.8 Å²	95.8	24%	0.241	49%	0.489	C	S	.	.	H	α-helix	trans	-64.9	-41.4	179.9	-62.1	-13.1	0	0	0	110	K1049 A1055 R1056	K1049-D1053 VanDerWaalsContact CE-OD2 3.29Å; K1049-D1053 WeakPolarHBondContact CE-OD2 3.38Å; K1049-D1053 IonicContact NZ-OD2 2.71Å; K1049-D1053 PolarHBondContact NZ-OD2 2.68Å; K1049-D1053 PolarHBondContact O-N 2.84Å; D1053-A1055 PolarHBondContact O-N 3.08Å; D1053-A1055 VanDerWaalsContact O-N 3.13Å; D1053-R1056 PolarHBondContact O-N 3.05Å
1054	A	52.5	Low	45	Very low	41 Å²	41	95.3 Å²	95.3	34%	0.339	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	0.2	172.5	0	0	0	0	0	115.5	D1050	D1050-A1054 WeakPolarHBondContact O-CB 3.48Å; D1050-A1054 PolarHBondContact O-N 3.24Å
1055	A	50.1	Low	43.9	Very low	6 Å²	6	99 Å²	99	5%	0.05	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-10.6	176.4	0	0	0	0	0	113.7	I779 P781 L1051 Y1052 D1053	I779-A1055 HydrophobicContact CG2-CB 3.33Å; P781-A1055 VanDerWaalsContact CG-O 3.26Å; P781-A1055 WeakPolarHBondContact CG-O 3.46Å; L1051-A1055 WeakPolarHBondContact O-CB 3.45Å; Y1052-A1055 PolarHBondContact O-N 3.04Å; D1053-A1055 PolarHBondContact O-N 3.08Å; D1053-A1055 VanDerWaalsContact O-N 3.13Å
1056	R	49	Very low	43.3	Very low	155 Å²	155	99.4 Å²	99.4	59%	0.585	50%	0.497	S	S	*	.			trans	-108.4	106.9	177.2	-82.2	-178.9	158.7	-157.4	-3.7	110.5	Y1052 D1053 E1059	Y1052-R1056 PolarHBondContact O-N 2.9Å; D1053-R1056 PolarHBondContact O-N 3.05Å; R1056-E1059 IonicContact NH1-OE2 3.65Å; R1056-E1059 PolarHBondContact NH1-OE2 3.04Å; R1056-E1059 VanDerWaalsContact NH1-OE2 3.12Å
1057	V	52.3	Low	42.9	Very low	66 Å²	66	99 Å²	99	40%	0.4	50%	0.498	S	S	.	.			trans	-78.2	-21.7	-174.5	-176.1	0	0	0	0	113.3
1058	D	39.6	Very low	42.7	Very low	107 Å²	107	105 Å²	105	57%	0.572	51%	0.511	S	S	*	.	S	Bend	trans	-106.9	8.7	-156.6	-76.3	-15.8	0	0	0	116.4	K796	K796-D1058 IonicContact NZ-OD1 3.63Å; K796-D1058 PolarHBondContact NZ-OD1 3.39Å; K796-D1058 IonicContact NZ-OD2 3.62Å
1059	E	37.2	Very low	42.9	Very low	128 Å²	128	101.9 Å²	101.9	60%	0.598	49%	0.491	S	S	*	.	S	Bend	trans	-121.4	7.4	-178.8	-73.1	-173.9	140.7	0	0	115.8	R1056	R1056-E1059 IonicContact NH1-OE2 3.65Å; R1056-E1059 PolarHBondContact NH1-OE2 3.04Å; R1056-E1059 VanDerWaalsContact NH1-OE2 3.12Å
1060	I	34.8	Very low	42.8	Very low	87 Å²	87	98.4 Å²	98.4	45%	0.446	48%	0.481	S	S	.	.			trans	-127.6	66.9	-175	-42.4	-180	0	0	0	112.7
1061	E	33.7	Very low	42.9	Very low	208 Å²	208	99.2 Å²	99.2	97%	0.972	48%	0.483	S	S	*	.	S	Bend	trans	-95.8	4.6	163.4	-75.5	-162.7	148	0	0	113.2
1062	S	31.3	Very low	43.3	Very low	97 Å²	97	99.6 Å²	99.6	68%	0.678	49%	0.485	S	S	*	.	S	Bend	trans	-142.3	117.5	175.5	66.9	0	0	0	0	113.5
1063	K	29	Very low	43.8	Very low	176 Å²	176	96.8 Å²	96.8	77%	0.765	49%	0.486	S	S	*	.	S	Bend	trans	80.4	143.3	174	-55.1	-178.1	179.7	179.6	0	117.3
1064	D	30.8	Very low	44.2	Very low	129 Å²	129	100.1 Å²	100.1	69%	0.69	50%	0.501	S	S	*	.	S	Bend	trans	67	83.5	159.3	-48.9	-19.2	0	0	0	117.8	Y1066	D1064-Y1066 VanDerWaalsContact O-CD2 3.26Å; D1064-Y1066 WeakPolarHBondContact O-CD2 3.42Å
1065	T	28.5	Very low	44.7	Very low	138 Å²	138	98.3 Å²	98.3	85%	0.847	49%	0.485	S	S	*	.			trans	37.4	89.9	139.9	-42.9	0	0	0	0	118.5
1066	Y	34.4	Very low	45.5	Very low	131 Å²	131	98.7 Å²	98.7	51%	0.514	49%	0.486	S	S	.	.			trans	-129.2	133.2	163.8	-81.8	-77.5	0	0	0	113.4	D1064 R1068	D1064-Y1066 VanDerWaalsContact O-CD2 3.26Å; D1064-Y1066 WeakPolarHBondContact O-CD2 3.42Å; Y1066-R1068 PolarHBondContact O-N 2.98Å
1067	Q	39.6	Very low	46.2	Very low	65 Å²	65	94.4 Å²	94.4	30%	0.304	48%	0.481	S	S	.	.			trans	-69.1	112.7	-170.2	-62.9	155.4	-17.8	0	0	111.9	L734	L734-Q1067 HydrophobicContact CD1-CB 4.36Å
1068	R	42.4	Very low	46.9	Very low	209 Å²	209	93.7 Å²	93.7	79%	0.789	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-95.7	125.2	176.6	-178.8	174.9	178.7	163.6	-1.2	110.7	Y1066 V1070	Y1066-R1068 PolarHBondContact O-N 2.98Å; R1068-V1070 PolarHBondContact O-N 2.86Å
1069	I	51.8	Low	48.2	Very low	26 Å²	26	88.7 Å²	88.7	13%	0.133	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	121.4	170.6	-64	178.3	0	0	0	109.2	T733 Y1071 A1106 F1108	T733-I1069 HydrophobicContact CG2-CD1 4.32Å; I1069-Y1071 HydrophobicContact CB-CE2 4.13Å; I1069-Y1071 HydrophobicContact CG2-CD2 4.14Å; I1069-Y1071 HydrophobicContact CG2-CE1 4.3Å; I1069-Y1071 HydrophobicContact CG2-CE2 3.62Å; I1069-A1106 HydrophobicContact CG2-CB 3.61Å; I1069-F1108 HydrophobicContact CD1-CE1 4.29Å; I1069-F1108 HydrophobicContact CD1-CE2 4.3Å; I1069-F1108 HydrophobicContact CD1-CZ 3.76Å; I1069-F1108 HydrophobicContact CG1-CD1 4.44Å; I1069-F1108 HydrophobicContact CG1-CE1 3.9Å; I1069-F1108 HydrophobicContact CG1-CE2 4.27Å; I1069-F1108 HydrophobicContact CG1-CZ 3.78Å
1070	V	49.3	Very low	49.6	Very low	61 Å²	61	84.5 Å²	84.5	37%	0.37	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.6	175.1	-179.1	0	0	0	0	108.4	R1068 A1106 H1107	R1068-V1070 PolarHBondContact O-N 2.86Å; V1070-A1106 CarbonylContact O-C 3.5Å; V1070-A1106 VanDerWaalsContact O-CA 3.32Å; V1070-A1106 WeakPolarHBondContact O-CA 2.94Å; V1070-H1107 PolarHBondContact N-O 2.71Å; V1070-H1107 PolarHBondContact O-N 2.96Å
1071	Y	58	Low	51.2	Low	44 Å²	44	82.4 Å²	82.4	17%	0.173	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.5	172.9	-65.1	-92.4	0	0	0	109	S803 V806 V807 I1069 S1073 V1105 A1106	S803-Y1071 WeakPolarHBondContact CA-OH 3.45Å; S803-Y1071 WeakPolarHBondContact CB-OH 3.47Å; V806-Y1071 HydrophobicContact CB-CE1 4.16Å; V806-Y1071 HydrophobicContact CB-CE2 4.14Å; V806-Y1071 HydrophobicContact CG1-CD1 4.39Å; V806-Y1071 HydrophobicContact CG1-CD2 3.94Å; V806-Y1071 HydrophobicContact CG1-CE1 4.1Å; V806-Y1071 HydrophobicContact CG1-CE2 3.63Å; V806-Y1071 HydrophobicContact CG1-CG 4.32Å; V806-Y1071 HydrophobicContact CG2-CE2 4.39Å; V807-Y1071 HydrophobicContact CG2-CD1 3.89Å; V807-Y1071 HydrophobicContact CG2-CE1 3.68Å; I1069-Y1071 HydrophobicContact CB-CE2 4.13Å; I1069-Y1071 HydrophobicContact CG2-CD2 4.14Å; I1069-Y1071 HydrophobicContact CG2-CE1 4.3Å; I1069-Y1071 HydrophobicContact CG2-CE2 3.62Å; Y1071-S1073 PolarHBondContact O-N 2.99Å; Y1071-V1105 WeakPolarHBondContact CA-O 3.41Å; Y1071-A1106 HydrophobicContact CD1-CB 3.52Å; Y1071-A1106 HydrophobicContact CE1-CB 3.47Å; Y1071-A1106 VanDerWaalsContact CE1-CB 3.47Å; Y1071-A1106 HydrophobicContact CG-CB 4.24Å
1072	D	59.1	Low	52.8	Low	25 Å²	25	74.2 Å²	74.2	13%	0.134	38%	0.376	C	S	.	.			trans	-74.4	103.4	179.4	179.3	19.8	0	0	0	110.3	Q1074 A1075 I1076 V1105	D1072-Q1074 PolarHBondContact O-N 2.83Å; D1072-Q1074 VanDerWaalsContact O-N 3.15Å; D1072-Q1074 WeakPolarHBondContact OD1-CA 3.22Å; D1072-Q1074 WeakPolarHBondContact OD1-CB 3.47Å; D1072-Q1074 WeakPolarHBondContact OD1-CG 3.25Å; D1072-Q1074 PolarHBondContact OD1-N 3.22Å; D1072-A1075 HydrophobicContact CB-CB 3.79Å; D1072-A1075 VanDerWaalsContact CG-N 3.27Å; D1072-A1075 WeakPolarHBondContact O-CA 3.35Å; D1072-A1075 WeakPolarHBondContact O-CB 3.5Å; D1072-A1075 PolarHBondContact O-N 3.1Å; D1072-A1075 WeakPolarHBondContact OD2-CB 3.5Å; D1072-A1075 PolarHBondContact OD2-N 3.09Å; D1072-I1076 PolarHBondContact O-N 3.14Å; D1072-V1105 PolarHBondContact N-O 3.39Å
1073	S	62.2	Low	54.2	Low	88 Å²	88	73.5 Å²	73.5	62%	0.615	37%	0.372	S	S	*	.	H	α-helix	trans	-57.6	-23.8	172.5	63.8	0	0	0	0	113.2	Y1071 S1077	Y1071-S1073 PolarHBondContact O-N 2.99Å; S1073-S1077 WeakPolarHBondContact O-CB 3.39Å; S1073-S1077 PolarHBondContact O-N 3.22Å; S1073-S1077 PolarHBondContact O-OG 2.84Å
1074	Q	63.6	Low	55.4	Low	116 Å²	116	71.9 Å²	71.9	54%	0.542	37%	0.365	S	S	.	.	H	α-helix	trans	-73.2	-39.9	170.2	-50.3	-173.4	20.8	0	0	111.9	D1072 S1077 K1078	D1072-Q1074 PolarHBondContact O-N 2.83Å; D1072-Q1074 VanDerWaalsContact O-N 3.15Å; D1072-Q1074 WeakPolarHBondContact OD1-CA 3.22Å; D1072-Q1074 WeakPolarHBondContact OD1-CB 3.47Å; D1072-Q1074 WeakPolarHBondContact OD1-CG 3.25Å; D1072-Q1074 PolarHBondContact OD1-N 3.22Å; Q1074-S1077 WeakPolarHBondContact CA-OG 3.27Å; Q1074-S1077 PolarHBondContact O-N 3.08Å; Q1074-S1077 PolarHBondContact O-OG 3.44Å; Q1074-S1077 VanDerWaalsContact O-OG 3.08Å; Q1074-K1078 WeakPolarHBondContact O-CB 3.22Å; Q1074-K1078 VanDerWaalsContact O-CD 3.22Å; Q1074-K1078 WeakPolarHBondContact O-CD 3.45Å; Q1074-K1078 WeakPolarHBondContact O-CG 3.49Å; Q1074-K1078 PolarHBondContact O-N 2.77Å
1075	A	61.7	Low	56.6	Low	2 Å²	2	67.6 Å²	67.6	2%	0.017	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-43.7	174	0	0	0	0	0	111.3	D1072 K1078 L1079 V1105	D1072-A1075 HydrophobicContact CB-CB 3.79Å; D1072-A1075 VanDerWaalsContact CG-N 3.27Å; D1072-A1075 WeakPolarHBondContact O-CA 3.35Å; D1072-A1075 WeakPolarHBondContact O-CB 3.5Å; D1072-A1075 PolarHBondContact O-N 3.1Å; D1072-A1075 WeakPolarHBondContact OD2-CB 3.5Å; D1072-A1075 PolarHBondContact OD2-N 3.09Å; A1075-K1078 PolarHBondContact O-N 3.16Å; A1075-L1079 WeakPolarHBondContact O-CG 3.29Å; A1075-L1079 PolarHBondContact O-N 3.05Å; A1075-V1105 HydrophobicContact CB-CB 4.49Å; A1075-V1105 HydrophobicContact CB-CG1 4.29Å; A1075-V1105 HydrophobicContact CB-CG2 4.35Å
1076	I	68.1	Low	57.7	Low	14 Å²	14	65.8 Å²	65.8	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-40.8	177.9	-62.4	175.4	0	0	0	111.2	E810 D1072 K1078 L1079 L1080	E810-I1076 HydrophobicContact CB-CD1 4.02Å; E810-I1076 HydrophobicContact CB-CG2 4.41Å; E810-I1076 WeakPolarHBondContact OE2-CD1 3.37Å; D1072-I1076 PolarHBondContact O-N 3.14Å; I1076-K1078 VanDerWaalsContact C-N 3.35Å; I1076-K1078 PolarHBondContact O-N 3.43Å; I1076-L1079 PolarHBondContact O-N 3.3Å; I1076-L1080 HydrophobicContact CG2-CD1 4.27Å; I1076-L1080 WeakPolarHBondContact O-CG 3.37Å; I1076-L1080 PolarHBondContact O-N 3.38Å
1077	S	63.9	Low	58.4	Low	66 Å²	66	62.2 Å²	62.2	46%	0.462	32%	0.321	S	S	.	.	H	α-helix	trans	-67.5	-31.4	173.3	53.7	0	0	0	0	113.2	S1073 Q1074 L1080 D1081	S1073-S1077 WeakPolarHBondContact O-CB 3.39Å; S1073-S1077 PolarHBondContact O-N 3.22Å; S1073-S1077 PolarHBondContact O-OG 2.84Å; Q1074-S1077 WeakPolarHBondContact CA-OG 3.27Å; Q1074-S1077 PolarHBondContact O-N 3.08Å; Q1074-S1077 PolarHBondContact O-OG 3.44Å; Q1074-S1077 VanDerWaalsContact O-OG 3.08Å; S1077-L1080 PolarHBondContact O-N 3.14Å; S1077-D1081 WeakPolarHBondContact O-CB 3.27Å; S1077-D1081 PolarHBondContact O-N 3.49Å
1078	K	65.8	Low	58.6	Low	50 Å²	50	65 Å²	65	22%	0.217	34%	0.339	C	S	.	.	H	α-helix	trans	-69.3	-29.6	170.1	-69.2	158.4	-160.9	160.6	0	113	Q1074 A1075 I1076 Y1099	Q1074-K1078 WeakPolarHBondContact O-CB 3.22Å; Q1074-K1078 VanDerWaalsContact O-CD 3.22Å; Q1074-K1078 WeakPolarHBondContact O-CD 3.45Å; Q1074-K1078 WeakPolarHBondContact O-CG 3.49Å; Q1074-K1078 PolarHBondContact O-N 2.77Å; A1075-K1078 PolarHBondContact O-N 3.16Å; I1076-K1078 VanDerWaalsContact C-N 3.35Å; I1076-K1078 PolarHBondContact O-N 3.43Å; K1078-Y1099 HydrophobicContact CD-CE1 4.13Å; K1078-Y1099 PolarHBondContact NZ-OH 2.93Å
1079	L	67.6	Low	58.3	Low	3 Å²	3	57.2 Å²	57.2	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-73.5	-31.6	171.9	-73	170.4	0	0	0	112.2	I726 V728 Y925 A1075 I1076 F1096 L1100 V1105	I726-L1079 HydrophobicContact CD1-CD2 4.31Å; I726-L1079 HydrophobicContact CG2-CD2 3.91Å; V728-L1079 HydrophobicContact CG1-CD1 4.24Å; V728-L1079 HydrophobicContact CG2-CD1 4.3Å; V728-L1079 HydrophobicContact CG2-CD2 4.09Å; Y925-L1079 PolarHBondContact OH-O 3.22Å; A1075-L1079 WeakPolarHBondContact O-CG 3.29Å; A1075-L1079 PolarHBondContact O-N 3.05Å; I1076-L1079 PolarHBondContact O-N 3.3Å; L1079-F1096 HydrophobicContact CD2-CE1 4.46Å; L1079-F1096 HydrophobicContact CD2-CZ 4.33Å; L1079-L1100 HydrophobicContact CD2-CD1 4.13Å; L1079-L1100 HydrophobicContact CD2-CD2 4.29Å; L1079-V1105 HydrophobicContact CD1-CG1 4.49Å
1080	L	66.9	Low	58	Low	39 Å²	39	64.7 Å²	64.7	20%	0.204	35%	0.35	C	S	.	.	H	α-helix	trans	-79.6	-24.1	174.1	-67.5	167.9	0	0	0	113	L815 I1076 S1077 R1082	L815-L1080 HydrophobicContact CD2-CD2 4.35Å; L815-L1080 HydrophobicContact CG-CD2 4.27Å; I1076-L1080 HydrophobicContact CG2-CD1 4.27Å; I1076-L1080 WeakPolarHBondContact O-CG 3.37Å; I1076-L1080 PolarHBondContact O-N 3.38Å; S1077-L1080 PolarHBondContact O-N 3.14Å; L1080-R1082 VanDerWaalsContact C-N 3.3Å; L1080-R1082 PolarHBondContact O-N 2.85Å
1081	D	66.9	Low	57.5	Low	43 Å²	43	69.2 Å²	69.2	23%	0.23	37%	0.368	C	S	.	.			trans	-69.5	78.3	178.4	-178.1	10.4	0	0	0	112.8	S1077 S1083 K1084	S1077-D1081 WeakPolarHBondContact O-CB 3.27Å; S1077-D1081 PolarHBondContact O-N 3.49Å; D1081-S1083 PolarHBondContact O-N 3Å; D1081-S1083 VanDerWaalsContact OD1-CB 3.27Å; D1081-S1083 WeakPolarHBondContact OD1-CB 3.39Å; D1081-S1083 PolarHBondContact OD1-N 3.18Å; D1081-S1083 VanDerWaalsContact OD1-N 3.1Å; D1081-S1083 PolarHBondContact OD1-OG 3.16Å; D1081-K1084 WeakPolarHBondContact OD2-CD 3.33Å; D1081-K1084 WeakPolarHBondContact OD2-CE 3.48Å; D1081-K1084 IonicContact OD2-NZ 2.86Å; D1081-K1084 PolarHBondContact OD2-NZ 2.73Å
1082	R	68.4	Low	56.8	Low	36 Å²	36	69.9 Å²	69.9	14%	0.136	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-12.3	174.4	-61.6	-172.9	-175.1	-150.1	-0.4	113.7	L815 H820 D892 T893 L1080	L815-R1082 VanDerWaalsContact CD2-NH2 3.28Å; H820-R1082 PolarHBondContact CD2-NH2 3.28Å; H820-R1082 VanDerWaalsContact CD2-NH2 3.27Å; H820-R1082 PolarHBondContact CE1-NH1 3.31Å; H820-R1082 VanDerWaalsContact CE1-NH1 3.26Å; H820-R1082 PolarHBondContact CE1-NH2 3.38Å; H820-R1082 PolarHBondContact ND1-NH1 3.02Å; H820-R1082 PolarHBondContact ND1-NH2 3.19Å; H820-R1082 VanDerWaalsContact NE2-CZ 3.28Å; H820-R1082 PolarHBondContact NE2-NE 3.24Å; H820-R1082 PolarHBondContact NE2-NH2 2.8Å; D892-R1082 IonicContact OD2-CZ 3.13Å; D892-R1082 IonicContact OD2-NH1 2.66Å; D892-R1082 PolarHBondContact OD2-NH1 2.84Å; D892-R1082 IonicContact OD2-NH2 3.88Å; T893-R1082 PolarHBondContact OG1-NH2 3.25Å; L1080-R1082 VanDerWaalsContact C-N 3.3Å; L1080-R1082 PolarHBondContact O-N 2.85Å
1083	S	60.6	Low	56.4	Low	83 Å²	83	72.2 Å²	72.2	58%	0.58	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-42.7	-175.1	76.9	0	0	0	0	112.3	D1081 M1085 M1086	D1081-S1083 PolarHBondContact O-N 3Å; D1081-S1083 VanDerWaalsContact OD1-CB 3.27Å; D1081-S1083 WeakPolarHBondContact OD1-CB 3.39Å; D1081-S1083 PolarHBondContact OD1-N 3.18Å; D1081-S1083 VanDerWaalsContact OD1-N 3.1Å; D1081-S1083 PolarHBondContact OD1-OG 3.16Å; S1083-M1085 VanDerWaalsContact C-N 3.29Å; S1083-M1085 PolarHBondContact O-N 3.26Å; S1083-M1086 PolarHBondContact O-N 2.97Å
1084	K	54.9	Low	55.9	Low	141 Å²	141	71.6 Å²	71.6	61%	0.613	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-69.9	-28.2	178.4	-67	176.7	-175.5	121.9	0	112.6	D1081 M1086 A1087	D1081-K1084 WeakPolarHBondContact OD2-CD 3.33Å; D1081-K1084 WeakPolarHBondContact OD2-CE 3.48Å; D1081-K1084 IonicContact OD2-NZ 2.86Å; D1081-K1084 PolarHBondContact OD2-NZ 2.73Å; K1084-M1086 PolarHBondContact O-N 2.84Å; K1084-A1087 WeakPolarHBondContact O-CB 3.43Å; K1084-A1087 PolarHBondContact O-N 2.85Å
1085	M	55	Low	55	Low	39 Å²	39	68.5 Å²	68.5	19%	0.192	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-66.2	-15.8	177.1	-59.4	-163.4	77	0	0	114	T724 I726 V923 S1083 A1087	T724-M1085 HydrophobicContact CG2-CE 4.09Å; T724-M1085 VanDerWaalsContact OG1-CE 3.24Å; T724-M1085 WeakPolarHBondContact OG1-CE 3.44Å; I726-M1085 HydrophobicContact CD1-CE 3.47Å; I726-M1085 VanDerWaalsContact CD1-CE 3.47Å; I726-M1085 HydrophobicContact CD1-SD 3.84Å; I726-M1085 HydrophobicContact CG1-CE 3.5Å; I726-M1085 VanDerWaalsContact CG1-CE 3.5Å; V923-M1085 HydrophobicContact CG1-SD 4.34Å; S1083-M1085 VanDerWaalsContact C-N 3.29Å; S1083-M1085 PolarHBondContact O-N 3.26Å; M1085-A1087 VanDerWaalsContact C-N 3.32Å
1086	M	51.5	Low	54.5	Low	101 Å²	101	70.9 Å²	70.9	50%	0.498	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-85	-2.1	177.6	-57.1	-68.3	175	0	0	113.2	H921 S1083 K1084 D1088	H921-M1086 HydrophobicContact CB-CE 3.86Å; S1083-M1086 PolarHBondContact O-N 2.97Å; K1084-M1086 PolarHBondContact O-N 2.84Å; M1086-D1088 PolarHBondContact O-N 2.98Å
1087	A	48.3	Very low	53.8	Low	55 Å²	55	72.8 Å²	72.8	46%	0.455	40%	0.402	S	S	.	.	S	Bend	trans	-84.4	99.4	-179.1	0	0	0	0	0	111.2	K1084 M1085 S1089 T1092	K1084-A1087 WeakPolarHBondContact O-CB 3.43Å; K1084-A1087 PolarHBondContact O-N 2.85Å; M1085-A1087 VanDerWaalsContact C-N 3.32Å; A1087-S1089 PolarHBondContact O-N 2.93Å; A1087-T1092 PolarHBondContact O-OG1 3.01Å
1088	D	44.2	Very low	53.3	Low	125 Å²	125	76 Å²	76	67%	0.668	41%	0.409	S	S	*	.			trans	-66.4	93.1	-170.7	-81.4	-24.6	0	0	0	115.1	K722 M1086	K722-D1088 IonicContact NZ-OD1 2.72Å; K722-D1088 PolarHBondContact NZ-OD1 2.7Å; K722-D1088 IonicContact NZ-OD2 3.17Å; K722-D1088 PolarHBondContact NZ-OD2 3.43Å; M1086-D1088 PolarHBondContact O-N 2.98Å
1089	S	36.4	Very low	52.6	Low	45 Å²	45	77.3 Å²	77.3	32%	0.315	41%	0.414	S	S	.	.			trans	-152.3	150.3	153.7	62	0	0	0	0	111.1	A1087 E1091 T1092 V1093	A1087-S1089 PolarHBondContact O-N 2.93Å; S1089-E1091 PolarHBondContact O-N 3.03Å; S1089-T1092 PolarHBondContact N-OG1 3.02Å; S1089-T1092 PolarHBondContact O-N 3.41Å; S1089-T1092 PolarHBondContact O-OG1 3.41Å; S1089-T1092 WeakPolarHBondContact OG-CB 3.4Å; S1089-T1092 WeakPolarHBondContact OG-CG2 3.44Å; S1089-T1092 PolarHBondContact OG-N 2.71Å; S1089-T1092 PolarHBondContact OG-OG1 2.98Å; S1089-V1093 PolarHBondContact O-N 3.17Å
1090	E	44.8	Very low	52	Low	182 Å²	182	77.5 Å²	77.5	85%	0.85	42%	0.415	S	S	*	.	H	α-helix	trans	-66.5	-25.6	169.3	-63.6	-174.4	145.5	0	0	110.5	V1093 S1094	E1090-V1093 PolarHBondContact O-N 2.93Å; E1090-S1094 VanDerWaalsContact O-CB 3.32Å; E1090-S1094 WeakPolarHBondContact O-CB 3.23Å; E1090-S1094 PolarHBondContact O-N 2.87Å
1091	E	38.7	Very low	51.2	Low	157 Å²	157	79.3 Å²	79.3	73%	0.734	43%	0.431	S	S	*	.	H	α-helix	trans	-62	-43	170	-63.7	178.5	167.7	0	0	112.7	S1089 V1093 S1094 A1095	S1089-E1091 PolarHBondContact O-N 3.03Å; E1091-V1093 PolarHBondContact O-N 2.87Å; E1091-S1094 PolarHBondContact O-N 3.4Å; E1091-A1095 WeakPolarHBondContact O-CB 3.48Å; E1091-A1095 PolarHBondContact O-N 3.12Å
1092	T	44.3	Very low	50.1	Low	58 Å²	58	80.1 Å²	80.1	36%	0.356	45%	0.449	S	S	.	.	H	α-helix	trans	-67.3	-35	176.2	42.3	0	0	0	0	111.9	A1087 S1089 F1096	A1087-T1092 PolarHBondContact O-OG1 3.01Å; S1089-T1092 PolarHBondContact N-OG1 3.02Å; S1089-T1092 PolarHBondContact O-N 3.41Å; S1089-T1092 PolarHBondContact O-OG1 3.41Å; S1089-T1092 WeakPolarHBondContact OG-CB 3.4Å; S1089-T1092 WeakPolarHBondContact OG-CG2 3.44Å; S1089-T1092 PolarHBondContact OG-N 2.71Å; S1089-T1092 PolarHBondContact OG-OG1 2.98Å; T1092-F1096 WeakPolarHBondContact O-CB 3.23Å; T1092-F1096 PolarHBondContact O-N 3.17Å
1093	V	50.6	Low	49	Very low	74 Å²	74	82.3 Å²	82.3	45%	0.448	46%	0.46	S	S	.	.	H	α-helix	trans	-73.1	-39	174.4	-179.3	0	0	0	0	111.4	S1089 E1090 E1091 N1097	S1089-V1093 PolarHBondContact O-N 3.17Å; E1090-V1093 PolarHBondContact O-N 2.93Å; E1091-V1093 PolarHBondContact O-N 2.87Å; V1093-N1097 WeakPolarHBondContact O-CB 3.26Å; V1093-N1097 PolarHBondContact O-N 3.31Å; V1093-N1097 PolarHBondContact O-ND2 3.46Å
1094	S	51.4	Low	48.3	Very low	74 Å²	74	85.2 Å²	85.2	52%	0.517	46%	0.458	S	S	.	.	H	α-helix	trans	-65.8	-50	175.1	-166.3	0	0	0	0	111.1	E1090 E1091 F1096 N1097 E1098	E1090-S1094 VanDerWaalsContact O-CB 3.32Å; E1090-S1094 WeakPolarHBondContact O-CB 3.23Å; E1090-S1094 PolarHBondContact O-N 2.87Å; E1091-S1094 PolarHBondContact O-N 3.4Å; S1094-F1096 VanDerWaalsContact C-N 3.31Å; S1094-F1096 PolarHBondContact O-N 3.43Å; S1094-N1097 CarbonylContact O-C 3.59Å; S1094-N1097 PolarHBondContact O-N 2.88Å; S1094-N1097 VanDerWaalsContact O-N 3.16Å; S1094-E1098 WeakPolarHBondContact O-CB 3.18Å; S1094-E1098 PolarHBondContact O-N 2.98Å
1095	A	45.2	Very low	48.1	Very low	52 Å²	52	78.6 Å²	78.6	43%	0.43	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-28.7	177.2	0	0	0	0	0	112.7	E1091 Y1099	E1091-A1095 WeakPolarHBondContact O-CB 3.48Å; E1091-A1095 PolarHBondContact O-N 3.12Å; A1095-Y1099 WeakPolarHBondContact O-CB 3.43Å; A1095-Y1099 PolarHBondContact O-N 3.17Å
1096	F	52.1	Low	48	Very low	51 Å²	51	76.9 Å²	76.9	22%	0.224	42%	0.421	C	S	.	.	H	α-helix	trans	-74.2	-36.9	171.5	-170.3	-108.6	0	0	0	111.9	I726 L1079 T1092 S1094 L1100	I726-F1096 HydrophobicContact CD1-CE1 4.43Å; I726-F1096 HydrophobicContact CG1-CE1 4.31Å; I726-F1096 HydrophobicContact CG2-CE1 4.07Å; L1079-F1096 HydrophobicContact CD2-CE1 4.46Å; L1079-F1096 HydrophobicContact CD2-CZ 4.33Å; T1092-F1096 WeakPolarHBondContact O-CB 3.23Å; T1092-F1096 PolarHBondContact O-N 3.17Å; S1094-F1096 VanDerWaalsContact C-N 3.31Å; S1094-F1096 PolarHBondContact O-N 3.43Å; F1096-L1100 HydrophobicContact CD1-CD1 3.79Å; F1096-L1100 HydrophobicContact CD1-CG 4.39Å; F1096-L1100 HydrophobicContact CE1-CD1 3.5Å; F1096-L1100 VanDerWaalsContact CE1-CD1 3.5Å; F1096-L1100 HydrophobicContact CE1-CG 4.23Å; F1096-L1100 HydrophobicContact CZ-CD1 4.06Å; F1096-L1100 HydrophobicContact CZ-CG 4.42Å; F1096-L1100 WeakPolarHBondContact O-CB 3.33Å; F1096-L1100 VanDerWaalsContact O-CG 3.27Å; F1096-L1100 WeakPolarHBondContact O-CG 3.37Å; F1096-L1100 PolarHBondContact O-N 3.45Å
1097	N	53.2	Low	47.6	Very low	55 Å²	55	74 Å²	74	29%	0.294	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-37.1	170.9	-76.1	-50.4	0	0	0	112	V1093 S1094 L1100 S1101	V1093-N1097 WeakPolarHBondContact O-CB 3.26Å; V1093-N1097 PolarHBondContact O-N 3.31Å; V1093-N1097 PolarHBondContact O-ND2 3.46Å; S1094-N1097 CarbonylContact O-C 3.59Å; S1094-N1097 PolarHBondContact O-N 2.88Å; S1094-N1097 VanDerWaalsContact O-N 3.16Å; N1097-L1100 CarbonylContact O-C 3.6Å; N1097-L1100 PolarHBondContact O-N 2.7Å; N1097-S1101 WeakPolarHBondContact O-CB 3.49Å; N1097-S1101 PolarHBondContact O-N 3Å
1098	E	53.4	Low	47.5	Very low	132 Å²	132	74 Å²	74	62%	0.617	40%	0.396	S	S	*	.	H	α-helix	trans	-65.9	-46.6	173.3	-171.7	178.5	178.1	0	0	110.6	S1094 L1100 S1101 G1102	S1094-E1098 WeakPolarHBondContact O-CB 3.18Å; S1094-E1098 PolarHBondContact O-N 2.98Å; E1098-L1100 PolarHBondContact O-N 2.89Å; E1098-S1101 WeakPolarHBondContact CA-OG 3.41Å; E1098-S1101 WeakPolarHBondContact O-CA 3.39Å; E1098-S1101 WeakPolarHBondContact O-CB 3.36Å; E1098-S1101 PolarHBondContact O-N 3.1Å; E1098-S1101 PolarHBondContact O-OG 3.06Å; E1098-G1102 PolarHBondContact O-N 3.22Å
1099	Y	51	Low	47.3	Very low	79 Å²	79	72 Å²	72	31%	0.31	39%	0.386	S	S	.	.	H	α-helix	trans	-57.3	-45.7	172	-178	-96.7	0	0	0	111.8	K1078 A1095 S1101 G1102 F1103	K1078-Y1099 HydrophobicContact CD-CE1 4.13Å; K1078-Y1099 PolarHBondContact NZ-OH 2.93Å; A1095-Y1099 WeakPolarHBondContact O-CB 3.43Å; A1095-Y1099 PolarHBondContact O-N 3.17Å; Y1099-S1101 VanDerWaalsContact C-N 3.3Å; Y1099-S1101 PolarHBondContact O-N 3.17Å; Y1099-G1102 PolarHBondContact O-N 3.36Å; Y1099-F1103 HydrophobicContact CD1-CD2 4.29Å; Y1099-F1103 AromaticContact CD2-CD2 3.81Å; Y1099-F1103 HydrophobicContact CD2-CD2 3.81Å; Y1099-F1103 AromaticContact CD2-CE2 3.88Å; Y1099-F1103 HydrophobicContact CD2-CE2 3.88Å; Y1099-F1103 HydrophobicContact CE1-CD1 4.47Å; Y1099-F1103 AromaticContact CE1-CD2 3.96Å; Y1099-F1103 HydrophobicContact CE1-CD2 3.96Å; Y1099-F1103 HydrophobicContact CE1-CE2 4.36Å; Y1099-F1103 HydrophobicContact CE1-CG 4.04Å; Y1099-F1103 AromaticContact CE2-CD2 3.43Å; Y1099-F1103 HydrophobicContact CE2-CD2 3.43Å; Y1099-F1103 VanDerWaalsContact CE2-CD2 3.43Å; Y1099-F1103 AromaticContact CE2-CE2 3.17Å; Y1099-F1103 HydrophobicContact CE2-CE2 3.17Å; Y1099-F1103 HydrophobicContact CE2-CG 4.27Å; Y1099-F1103 AromaticContact CE2-CZ 3.83Å; Y1099-F1103 HydrophobicContact CE2-CZ 3.83Å; Y1099-F1103 HydrophobicContact CG-CD2 4.2Å; Y1099-F1103 AromaticContact CZ-CD2 3.5Å; Y1099-F1103 VanDerWaalsContact CZ-CD2 3.5Å; Y1099-F1103 AromaticContact CZ-CE2 3.45Å; Y1099-F1103 VanDerWaalsContact CZ-CE2 3.45Å; Y1099-F1103 AromaticContact CZ-CG 3.87Å; Y1099-F1103 AromaticContact CZ-CZ 3.76Å; Y1099-F1103 VanDerWaalsContact O-CB 3.29Å; Y1099-F1103 WeakPolarHBondContact O-CB 3.45Å; Y1099-F1103 PolarHBondContact O-N 3.1Å; Y1099-F1103 WeakPolarHBondContact OH-CE1 3.44Å; Y1099-F1103 VanDerWaalsContact OH-CZ 3.28Å; Y1099-F1103 WeakPolarHBondContact OH-CZ 3.45Å
1100	L	55.2	Low	47.2	Very low	7 Å²	7	77.6 Å²	77.6	4%	0.037	41%	0.407	C	S	.	.	H	α-helix	trans	-71.1	-20.5	173.9	-71.8	176.8	0	0	0	113.5	I726 P729 R930 L1079 F1096 N1097 E1098 V1105	I726-L1100 HydrophobicContact CG2-CD1 3.53Å; P729-L1100 WeakPolarHBondContact CG-O 3.41Å; R930-L1100 PolarHBondContact NH2-O 3.47Å; L1079-L1100 HydrophobicContact CD2-CD1 4.13Å; L1079-L1100 HydrophobicContact CD2-CD2 4.29Å; F1096-L1100 HydrophobicContact CD1-CD1 3.79Å; F1096-L1100 HydrophobicContact CD1-CG 4.39Å; F1096-L1100 HydrophobicContact CE1-CD1 3.5Å; F1096-L1100 VanDerWaalsContact CE1-CD1 3.5Å; F1096-L1100 HydrophobicContact CE1-CG 4.23Å; F1096-L1100 HydrophobicContact CZ-CD1 4.06Å; F1096-L1100 HydrophobicContact CZ-CG 4.42Å; F1096-L1100 WeakPolarHBondContact O-CB 3.33Å; F1096-L1100 VanDerWaalsContact O-CG 3.27Å; F1096-L1100 WeakPolarHBondContact O-CG 3.37Å; F1096-L1100 PolarHBondContact O-N 3.45Å; N1097-L1100 CarbonylContact O-C 3.6Å; N1097-L1100 PolarHBondContact O-N 2.7Å; E1098-L1100 PolarHBondContact O-N 2.89Å; L1100-V1105 HydrophobicContact CD2-CG2 4.28Å
1101	S	49.9	Very low	46.6	Very low	77 Å²	77	75.2 Å²	75.2	54%	0.538	41%	0.405	S	S	.	.	H	α-helix	trans	-75.7	-39.9	172.3	81	0	0	0	0	111.5	R930 N1097 E1098 Y1099	R930-S1101 PolarHBondContact NH2-O 3.22Å; N1097-S1101 WeakPolarHBondContact O-CB 3.49Å; N1097-S1101 PolarHBondContact O-N 3Å; E1098-S1101 WeakPolarHBondContact CA-OG 3.41Å; E1098-S1101 WeakPolarHBondContact O-CA 3.39Å; E1098-S1101 WeakPolarHBondContact O-CB 3.36Å; E1098-S1101 PolarHBondContact O-N 3.1Å; E1098-S1101 PolarHBondContact O-OG 3.06Å; Y1099-S1101 VanDerWaalsContact C-N 3.3Å; Y1099-S1101 PolarHBondContact O-N 3.17Å
1102	G	43.5	Very low	46.3	Very low	60 Å²	60	75 Å²	75	62%	0.619	41%	0.409	S	S	*	.	H	α-helix	trans	-78.1	-38.1	175.1	0	0	0	0	0	113.8	E1098 Y1099	E1098-G1102 PolarHBondContact O-N 3.22Å; Y1099-G1102 PolarHBondContact O-N 3.36Å
1103	F	44.6	Very low	45.6	Very low	81 Å²	81	77 Å²	77	36%	0.355	43%	0.432	S	S	.	.	S	Bend	trans	-73.4	134.6	177.7	-91.9	-106.2	0	0	0	111.7	R930 Y1099 V1105	R930-F1103 PolarHBondContact NH2-O 2.76Å; Y1099-F1103 HydrophobicContact CD1-CD2 4.29Å; Y1099-F1103 AromaticContact CD2-CD2 3.81Å; Y1099-F1103 HydrophobicContact CD2-CD2 3.81Å; Y1099-F1103 AromaticContact CD2-CE2 3.88Å; Y1099-F1103 HydrophobicContact CD2-CE2 3.88Å; Y1099-F1103 HydrophobicContact CE1-CD1 4.47Å; Y1099-F1103 AromaticContact CE1-CD2 3.96Å; Y1099-F1103 HydrophobicContact CE1-CD2 3.96Å; Y1099-F1103 HydrophobicContact CE1-CE2 4.36Å; Y1099-F1103 HydrophobicContact CE1-CG 4.04Å; Y1099-F1103 AromaticContact CE2-CD2 3.43Å; Y1099-F1103 HydrophobicContact CE2-CD2 3.43Å; Y1099-F1103 VanDerWaalsContact CE2-CD2 3.43Å; Y1099-F1103 AromaticContact CE2-CE2 3.17Å; Y1099-F1103 HydrophobicContact CE2-CE2 3.17Å; Y1099-F1103 HydrophobicContact CE2-CG 4.27Å; Y1099-F1103 AromaticContact CE2-CZ 3.83Å; Y1099-F1103 HydrophobicContact CE2-CZ 3.83Å; Y1099-F1103 HydrophobicContact CG-CD2 4.2Å; Y1099-F1103 AromaticContact CZ-CD2 3.5Å; Y1099-F1103 VanDerWaalsContact CZ-CD2 3.5Å; Y1099-F1103 AromaticContact CZ-CE2 3.45Å; Y1099-F1103 VanDerWaalsContact CZ-CE2 3.45Å; Y1099-F1103 AromaticContact CZ-CG 3.87Å; Y1099-F1103 AromaticContact CZ-CZ 3.76Å; Y1099-F1103 VanDerWaalsContact O-CB 3.29Å; Y1099-F1103 WeakPolarHBondContact O-CB 3.45Å; Y1099-F1103 PolarHBondContact O-N 3.1Å; Y1099-F1103 WeakPolarHBondContact OH-CE1 3.44Å; Y1099-F1103 VanDerWaalsContact OH-CZ 3.28Å; Y1099-F1103 WeakPolarHBondContact OH-CZ 3.45Å; F1103-V1105 PolarHBondContact O-N 3.16Å
1104	R	46.1	Very low	44.8	Very low	145 Å²	145	82.8 Å²	82.8	55%	0.547	45%	0.454	S	S	.	.			trans	-92.1	88.2	173.4	-64.4	-177.4	178.9	178.4	-4.3	109.1	A1106 H1107	R1104-A1106 WeakPolarHBondContact CB-O 3.36Å; R1104-A1106 CarbonylContact O-C 3.57Å; R1104-A1106 PolarHBondContact O-N 3.49Å; R1104-A1106 VanDerWaalsContact O-N 3.07Å; R1104-H1107 HydrophobicContact CB-CB 3.72Å; R1104-H1107 HydrophobicContact CG-CB 4.39Å; R1104-H1107 PolarHBondContact O-ND1 2.87Å
1105	V	51.6	Low	43.7	Very low	2 Å²	2	84.3 Å²	84.3	1%	0.012	46%	0.464	C	S	.	.	S	Bend	trans	-51.2	-32.2	177.2	-176.7	0	0	0	0	111.2	Y1071 D1072 A1075 L1079 L1100 F1103	Y1071-V1105 WeakPolarHBondContact CA-O 3.41Å; D1072-V1105 PolarHBondContact N-O 3.39Å; A1075-V1105 HydrophobicContact CB-CB 4.49Å; A1075-V1105 HydrophobicContact CB-CG1 4.29Å; A1075-V1105 HydrophobicContact CB-CG2 4.35Å; L1079-V1105 HydrophobicContact CD1-CG1 4.49Å; L1100-V1105 HydrophobicContact CD2-CG2 4.28Å; F1103-V1105 PolarHBondContact O-N 3.16Å
1106	A	51.3	Low	43.1	Very low	3 Å²	3	88.1 Å²	88.1	3%	0.025	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.4	159.6	0	0	0	0	0	108.8	I1069 V1070 Y1071 R1104	I1069-A1106 HydrophobicContact CG2-CB 3.61Å; V1070-A1106 CarbonylContact O-C 3.5Å; V1070-A1106 VanDerWaalsContact O-CA 3.32Å; V1070-A1106 WeakPolarHBondContact O-CA 2.94Å; Y1071-A1106 HydrophobicContact CD1-CB 3.52Å; Y1071-A1106 HydrophobicContact CE1-CB 3.47Å; Y1071-A1106 VanDerWaalsContact CE1-CB 3.47Å; Y1071-A1106 HydrophobicContact CG-CB 4.24Å; R1104-A1106 WeakPolarHBondContact CB-O 3.36Å; R1104-A1106 CarbonylContact O-C 3.57Å; R1104-A1106 PolarHBondContact O-N 3.49Å; R1104-A1106 VanDerWaalsContact O-N 3.07Å
1107	H	44.8	Very low	42	Very low	40 Å²	40	93.5 Å²	93.5	19%	0.185	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.1	176.2	37.2	-76.3	0	0	0	113.1	V1070 R1104 D1109	V1070-H1107 PolarHBondContact N-O 2.71Å; V1070-H1107 PolarHBondContact O-N 2.96Å; R1104-H1107 HydrophobicContact CB-CB 3.72Å; R1104-H1107 HydrophobicContact CG-CB 4.39Å; R1104-H1107 PolarHBondContact O-ND1 2.87Å; H1107-D1109 IonicContact CD2-OD1 2.68Å; H1107-D1109 IonicContact CD2-OD2 3.29Å; H1107-D1109 PolarHBondContact CD2-OD2 3.42Å; H1107-D1109 IonicContact NE2-OD2 2.69Å
1108	F	44.6	Very low	40.9	Very low	54 Å²	54	94.1 Å²	94.1	24%	0.237	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.2	166	-66.7	-99.9	0	0	0	107.3	L734 I1069	L734-F1108 HydrophobicContact CD2-CE1 4.11Å; I1069-F1108 HydrophobicContact CD1-CE1 4.29Å; I1069-F1108 HydrophobicContact CD1-CE2 4.3Å; I1069-F1108 HydrophobicContact CD1-CZ 3.76Å; I1069-F1108 HydrophobicContact CG1-CD1 4.44Å; I1069-F1108 HydrophobicContact CG1-CE1 3.9Å; I1069-F1108 HydrophobicContact CG1-CE2 4.27Å; I1069-F1108 HydrophobicContact CG1-CZ 3.78Å
1109	D	40.1	Very low	39.5	Very low	84 Å²	84	97.6 Å²	97.6	45%	0.449	55%	0.546	S	S	.	.			trans	-114.6	133.2	165	-70.3	-16.7	0	0	0	107.8	H1107	H1107-D1109 IonicContact CD2-OD1 2.68Å; H1107-D1109 IonicContact CD2-OD2 3.29Å; H1107-D1109 PolarHBondContact CD2-OD2 3.42Å; H1107-D1109 IonicContact NE2-OD2 2.69Å
1110	E	35.3	Very low	38.4	Very low	163 Å²	163	98.8 Å²	98.8	76%	0.762	56%	0.561	S	S	*	*			trans	-89.5	108.1	169	-65.3	-175.5	145.6	0	0	107.5	D1112	E1110-D1112 PolarHBondContact O-N 3.04Å
1111	T	32	Very low	37	Very low	131 Å²	131	104 Å²	104	80%	0.804	59%	0.593	S	S	*	*			trans	-84.5	97.1	178.4	55	0	0	0	0	109.7	A1113	T1111-A1113 PolarHBondContact O-N 3.5Å
1112	D	31.5	Very low	36	Very low	153 Å²	153	108.4 Å²	108.4	82%	0.818	60%	0.603	S	S	*	*			trans	-53.4	125.2	167.8	-81.3	-46.7	0	0	0	110.3	E1110 E1114	E1110-D1112 PolarHBondContact O-N 3.04Å; D1112-E1114 PolarHBondContact O-N 3.36Å
1113	A	31	Very low	35.3	Very low	101 Å²	101	111.3 Å²	111.3	84%	0.835	60%	0.604	S	S	*	*			trans	-81.8	65.3	-177.4	0	0	0	0	0	111.4	T1111	T1111-A1113 PolarHBondContact O-N 3.5Å
1114	E	32.4	Very low	34.3	Very low	195 Å²	195	112.4 Å²	112.4	91%	0.911	62%	0.622	S	S	*	*			trans	-59.6	152.1	165.1	-73.3	-151.1	136.2	0	0	110.9	D1112	D1112-E1114 PolarHBondContact O-N 3.36Å
1115	S	28.9	Very low	33.4	Very low	105 Å²	105	114 Å²	114	73%	0.734	64%	0.636	S	S	*	*			trans	-119.1	174.6	-160	62	0	0	0	0	113.1
1116	V	31.8	Very low	32.2	Very low	133 Å²	133	120.7 Å²	120.7	81%	0.806	67%	0.667	S	S	*	*			trans	87.2	126.5	170.3	-168.1	0	0	0	0	115.8
1117	D	29.9	Very low	31	Very low	163 Å²	163	127.8 Å²	127.8	87%	0.872	70%	0.699	S	S	*	*			trans	-60.2	150.9	169.7	-56.5	-94.6	0	0	0	113.3
1118	G	29.4	Very low	30	Very low	68 Å²	68	130.1 Å²	130.1	70%	0.701	73%	0.726	S	S	*	*			trans	120.8	82.3	146.4	0	0	0	0	0	117.9
1119	F	25.2	Very low	29.1	Very low	205 Å²	205	133.6 Å²	133.6	90%	0.899	75%	0.747	S	S	*	*				59.4	139.7	115.2	-147.8	-128.1	0	0	0	120.2
1120	V	28.4	Very low	28.4	Very low	104 Å²	104	138.6 Å²	138.6	63%	0.63	76%	0.759	S	S	*	*			trans	88.3	80.4	163.6	-162.2	0	0	0	0	118.5
1121	T	25.5	Very low	28	Very low	117 Å²	117	137 Å²	137	72%	0.718	75%	0.753	S	S	*	*				45.2	146.5	127.9	74.4	0	0	0	0	123.2
1122	K	28.4	Very low	27.7	Very low	169 Å²	169	137.7 Å²	137.7	74%	0.735	75%	0.747	S	S	*	*				119.3	141.3	129.6	-93.6	-178.6	164.9	-157.4	0	117.6
1123	D	28.8	Very low	27.4	Very low	122 Å²	122	137.1 Å²	137.1	65%	0.652	74%	0.743	S	S	*	*			trans	53.8	111.7	151.5	-45.3	-23.1	0	0	0	115.7
1124	S	23.3	Very low	27.3	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	74%	0.742	S	S	*	*				64.2	138.5	61.6	-55.6	0	0	0	0	113.4
1125	E	27.4	Very low	26.9	Very low	179 Å²	179	136.7 Å²	136.7	84%	0.836	74%	0.736	S	S	*	*			trans	72.4	145.4	-179.9	-59.1	167.2	-171.1	0	0	113.5
1126	E	26.1	Very low	26.9	Very low	142 Å²	142	139.6 Å²	139.6	66%	0.664	74%	0.738	S	S	*	*			cis	-155.2	153.9	-3.6	-126.6	-177.1	173	0	0	113.7
1127	Q	25.8	Very low	26.7	Very low	151 Å²	151	140.4 Å²	140.4	71%	0.706	74%	0.738	S	S	*	*			trans	32.4	136	144.7	-70.4	169.5	48.8	0	0	123.5
1128	A	24.2	Very low	26.9	Very low	90 Å²	90	137.7 Å²	137.7	74%	0.744	73%	0.73	S	S	*	*			trans	-56.2	143.5	160.9	0	0	0	0	0	114.3
1129	N	26.6	Very low	26.8	Very low	126 Å²	126	142.9 Å²	142.9	67%	0.674	74%	0.736	S	S	*	*			trans	-169.6	134.9	147.7	-105.7	-74.2	0	0	0	111.8
1130	R	25.2	Very low	27	Very low	190 Å²	190	138.5 Å²	138.5	72%	0.717	73%	0.73	S	S	*	*			trans	74	151	137.5	-71.3	179.7	-178.5	-108.6	1.7	121.2
1131	M	26.1	Very low	27	Very low	128 Å²	128	139.8 Å²	139.8	63%	0.631	74%	0.738	S	S	*	*			cis	-169	175	-26.2	-125.1	170.3	-163.6	0	0	109.5
1132	E	25.6	Very low	27	Very low	147 Å²	147	141 Å²	141	69%	0.687	74%	0.74	S	S	*	*			trans	69.9	111.2	149.7	-74.8	160	-144	0	0	121
1133	I	25.2	Very low	27	Very low	141 Å²	141	138.7 Å²	138.7	72%	0.723	74%	0.742	S	S	*	*				68.7	113.1	129.1	-55.6	164.4	0	0	0	119
1134	S	29.1	Very low	26.9	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	74%	0.742	S	S	*	*			trans	-143.7	97.9	139.1	65.4	0	0	0	0	111.4
1135	E	24.4	Very low	27.1	Very low	169 Å²	169	141.8 Å²	141.8	79%	0.79	75%	0.751	S	S	*	*			trans	-56.9	152	141.9	-65.2	169.1	139.7	0	0	107.6
1136	E	29	Very low	27.1	Very low	166 Å²	166	137 Å²	137	78%	0.776	75%	0.75	S	S	*	*			cis	-147	133.2	26.1	-113.4	159.5	-179.9	0	0	108.1
1137	N	26.6	Very low	27.2	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	76%	0.757	S	S	*	*				78.4	155.8	96	-84.7	-32.5	0	0	0	117.3
1138	P	34.8	Very low	27.2	Very low	107 Å²	107	136.4 Å²	136.4	70%	0.695	76%	0.761	S	S	*	*			trans	-126.1	-162.8	-146.5	43.8	-29.2	0	0	0	113.3
1139	E	26.5	Very low	27.4	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	77%	0.77	S	S	*	*				-174	135.1	126.5	-106.5	172.2	-160	0	0	115.6
1140	S	29.4	Very low	27.3	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	77%	0.767	S	S	*	*			trans	73.8	143.4	150	88	0	0	0	0	118.6
1141	V	29.9	Very low	27.4	Very low	131 Å²	131	135.4 Å²	135.4	79%	0.794	77%	0.769	S	S	*	*			cis	-140.7	144.2	-0	177.9	0	0	0	0	110.1
1142	N	24.7	Very low	27.5	Very low	143 Å²	143	135 Å²	135	77%	0.765	78%	0.779	S	S	*	*			trans	-97.4	148.4	170	-72.3	-48.4	0	0	0	111.5
1143	P	29.2	Very low	27.7	Very low	120 Å²	120	135.9 Å²	135.9	78%	0.779	78%	0.783	S	S	*	*				-143.1	140.7	85.6	33.3	-15	0	0	0	114.9
1144	T	26.6	Very low	28	Very low	106 Å²	106	134.3 Å²	134.3	65%	0.65	79%	0.785	S	S	*	*				90.3	133.7	57	-52	0	0	0	0	114.8
1145	M	27.4	Very low	28.4	Very low	185 Å²	185	133.2 Å²	133.2	91%	0.911	77%	0.769	S	S	*	*			trans	91.9	132.1	175.2	-54.8	-53	-178.8	0	0	117.9
1146	G	27.4	Very low	28.9	Very low	80 Å²	80	126.5 Å²	126.5	83%	0.825	75%	0.745	S	S	*	*			trans	122.6	98.7	173.2	0	0	0	0	0	113.5
1147	T	27.1	Very low	29.3	Very low	129 Å²	129	127.5 Å²	127.5	79%	0.791	74%	0.743	S	S	*	*			trans	-104.9	122.6	170.2	48.2	0	0	0	0	110
1148	D	26.7	Very low	30.7	Very low	151 Å²	151	123.6 Å²	123.6	81%	0.807	73%	0.731	S	S	*	*				176.1	123.6	126.8	-84.9	-12.5	0	0	0	109.9	T1150	D1148-T1150 PolarHBondContact O-N 3.08Å
1149	G	27.1	Very low	31.7	Very low	90 Å²	90	123.2 Å²	123.2	93%	0.928	72%	0.723	S	S	*	*			trans	-96.1	56.3	-166.3	0	0	0	0	0	114.6
1150	T	26.3	Very low	32.8	Very low	99 Å²	99	119.6 Å²	119.6	61%	0.607	71%	0.705	S	S	*	*			trans	-78.7	176.1	163.7	43.9	0	0	0	0	111.2	D1148	D1148-T1150 PolarHBondContact O-N 3.08Å
1151	Y	26.8	Very low	34.1	Very low	195 Å²	195	121 Å²	121	77%	0.765	69%	0.693	S	S	*	*			trans	71.7	77.3	175.4	-43.5	-77	0	0	0	116.4
1152	S	28.4	Very low	35.7	Very low	120 Å²	120	119.9 Å²	119.9	84%	0.839	68%	0.683	S	S	*	*	S	Bend		-73.8	110.7	119.3	59.4	0	0	0	0	105.8	S1154	S1152-S1154 PolarHBondContact O-N 2.95Å
1153	E	29.7	Very low	37.7	Very low	165 Å²	165	121.4 Å²	121.4	77%	0.771	68%	0.678	S	S	*	*			trans	-58.2	117	-173.1	-68.7	-177.2	128.4	0	0	110.6	I1155	E1153-I1155 PolarHBondContact O-N 3.42Å
1154	S	32	Very low	39.1	Very low	109 Å²	109	119.5 Å²	119.5	76%	0.762	66%	0.661	S	S	*	*			trans	-60.9	104.6	163	53.7	0	0	0	0	106.8	S1152 G1156	S1152-S1154 PolarHBondContact O-N 2.95Å; S1154-G1156 PolarHBondContact O-N 3.39Å
1155	I	37.2	Very low	40.9	Very low	94 Å²	94	118.2 Å²	118.2	48%	0.482	65%	0.649	S	S	.	*			trans	-47.9	113.9	170.3	-62.2	177.5	0	0	0	105.8	E1153 Y1157 D1159 F1160	E1153-I1155 PolarHBondContact O-N 3.42Å; I1155-Y1157 PolarHBondContact O-N 3.29Å; I1155-D1159 HydrophobicContact CG2-CB 3.76Å; I1155-F1160 HydrophobicContact CG2-CB 3.97Å
1156	G	33.8	Very low	42.9	Very low	27 Å²	27	115.1 Å²	115.1	28%	0.278	63%	0.632	S	S	.	*			trans	-57.2	146	-171	0	0	0	0	0	109.1	S1154 A1158 D1159 F1160	S1154-G1156 PolarHBondContact O-N 3.39Å; G1156-A1158 CarbonylContact O-C 3.49Å; G1156-A1158 PolarHBondContact O-N 3.49Å; G1156-D1159 PolarHBondContact O-N 3.32Å; G1156-F1160 PolarHBondContact O-N 3.33Å
1157	Y	37.6	Very low	44.7	Very low	188 Å²	188	115.8 Å²	115.8	74%	0.737	61%	0.614	S	S	*	*	H	α-helix	trans	-51.3	-31.8	177.3	-82.4	-72.2	0	0	0	111.4	I1155 W1161	I1155-Y1157 PolarHBondContact O-N 3.29Å; Y1157-W1161 WeakPolarHBondContact O-CB 3.35Å; Y1157-W1161 PolarHBondContact O-N 3.08Å
1158	A	55.5	Low	46	Very low	67 Å²	67	118.1 Å²	118.1	55%	0.554	61%	0.608	S	S	*	*	H	α-helix	trans	-58	-61.7	167.8	0	0	0	0	0	113.2	G1156 F1160 W1161 D1162	G1156-A1158 CarbonylContact O-C 3.49Å; G1156-A1158 PolarHBondContact O-N 3.49Å; A1158-F1160 VanDerWaalsContact C-N 3.27Å; A1158-F1160 PolarHBondContact O-N 3.11Å; A1158-W1161 CarbonylContact O-C 3.53Å; A1158-W1161 PolarHBondContact O-N 3.45Å; A1158-W1161 VanDerWaalsContact O-N 3.13Å; A1158-D1162 WeakPolarHBondContact O-CB 3.25Å; A1158-D1162 PolarHBondContact O-N 2.96Å
1159	D	56.6	Low	47.9	Very low	99 Å²	99	117.5 Å²	117.5	53%	0.529	60%	0.596	S	S	.	*	H	α-helix	trans	-61.4	-32.8	-178.5	-55.9	-58.7	0	0	0	113.3	I1155 G1156 R1163	I1155-D1159 HydrophobicContact CG2-CB 3.76Å; G1156-D1159 PolarHBondContact O-N 3.32Å; D1159-R1163 WeakPolarHBondContact O-CB 3.38Å; D1159-R1163 PolarHBondContact O-N 2.79Å
1160	F	49.7	Very low	49.8	Very low	102 Å²	102	117.9 Å²	117.9	45%	0.447	57%	0.573	S	S	.	*	H	α-helix	trans	-66.8	-49.6	173.1	173.5	-96.6	0	0	0	111	I1155 G1156 A1158 D1162 R1163 L1164	I1155-F1160 HydrophobicContact CG2-CB 3.97Å; G1156-F1160 PolarHBondContact O-N 3.33Å; A1158-F1160 VanDerWaalsContact C-N 3.27Å; A1158-F1160 PolarHBondContact O-N 3.11Å; F1160-D1162 VanDerWaalsContact C-N 3.35Å; F1160-R1163 PolarHBondContact O-N 3.2Å; F1160-L1164 WeakPolarHBondContact O-CB 3.35Å; F1160-L1164 PolarHBondContact O-N 3.39Å
1161	W	55.6	Low	51.4	Low	142 Å²	142	120.3 Å²	120.3	54%	0.538	57%	0.571	S	S	.	*	H	α-helix	trans	-64.7	-38.1	176.2	-81.1	118.7	0	0	0	111.9	Y1157 A1158 L1164 L1165	Y1157-W1161 WeakPolarHBondContact O-CB 3.35Å; Y1157-W1161 PolarHBondContact O-N 3.08Å; A1158-W1161 CarbonylContact O-C 3.53Å; A1158-W1161 PolarHBondContact O-N 3.45Å; A1158-W1161 VanDerWaalsContact O-N 3.13Å; W1161-L1164 HydrophobicContact CE3-CD2 3.83Å; W1161-L1164 HydrophobicContact CZ3-CD2 3.6Å; W1161-L1164 PolarHBondContact O-N 2.79Å; W1161-L1165 WeakPolarHBondContact O-CB 3.45Å; W1161-L1165 WeakPolarHBondContact O-CD1 3.48Å; W1161-L1165 WeakPolarHBondContact O-CG 3.44Å; W1161-L1165 PolarHBondContact O-N 3.45Å
1162	D	65.5	Low	53	Low	106 Å²	106	115.4 Å²	115.4	57%	0.567	56%	0.558	S	S	*	*	H	α-helix	trans	-68	-41.4	177	-84.2	-16.6	0	0	0	111.5	A1158 F1160 L1165 H1166	A1158-D1162 WeakPolarHBondContact O-CB 3.25Å; A1158-D1162 PolarHBondContact O-N 2.96Å; F1160-D1162 VanDerWaalsContact C-N 3.35Å; D1162-L1165 PolarHBondContact O-N 2.71Å; D1162-H1166 WeakPolarHBondContact O-CB 3.4Å; D1162-H1166 PolarHBondContact O-N 2.8Å
1163	R	65.9	Low	54.7	Low	176 Å²	176	112.6 Å²	112.6	66%	0.664	53%	0.533	S	S	*	.	H	α-helix	trans	-59	-48.3	169.4	-85.6	-174.5	171.2	175.1	0.2	112	D1159 F1160 L1165 H1166 E1167	D1159-R1163 WeakPolarHBondContact O-CB 3.38Å; D1159-R1163 PolarHBondContact O-N 2.79Å; F1160-R1163 PolarHBondContact O-N 3.2Å; R1163-L1165 VanDerWaalsContact C-N 3.35Å; R1163-L1165 PolarHBondContact O-N 2.91Å; R1163-H1166 PolarHBondContact O-N 3.48Å; R1163-E1167 WeakPolarHBondContact O-CB 3.34Å; R1163-E1167 PolarHBondContact O-N 3.25Å
1164	L	57.8	Low	56.5	Low	80 Å²	80	109 Å²	109	42%	0.419	52%	0.519	S	S	.	.	H	α-helix	trans	-65.5	-37	-178.5	-162.7	82.9	0	0	0	112.3	F1160 W1161 R1168	F1160-L1164 WeakPolarHBondContact O-CB 3.35Å; F1160-L1164 PolarHBondContact O-N 3.39Å; W1161-L1164 HydrophobicContact CE3-CD2 3.83Å; W1161-L1164 HydrophobicContact CZ3-CD2 3.6Å; W1161-L1164 PolarHBondContact O-N 2.79Å; L1164-R1168 VanDerWaalsContact O-CB 3.32Å; L1164-R1168 WeakPolarHBondContact O-CB 3.23Å; L1164-R1168 PolarHBondContact O-N 2.99Å
1165	L	65.1	Low	57.8	Low	79 Å²	79	107.8 Å²	107.8	41%	0.414	51%	0.507	S	S	.	.	H	α-helix	trans	-71.9	-36.4	174.6	-73	168.2	0	0	0	111.6	W1161 D1162 R1163 R1168 Y1169	W1161-L1165 WeakPolarHBondContact O-CB 3.45Å; W1161-L1165 WeakPolarHBondContact O-CD1 3.48Å; W1161-L1165 WeakPolarHBondContact O-CG 3.44Å; W1161-L1165 PolarHBondContact O-N 3.45Å; D1162-L1165 PolarHBondContact O-N 2.71Å; R1163-L1165 VanDerWaalsContact C-N 3.35Å; R1163-L1165 PolarHBondContact O-N 2.91Å; L1165-R1168 PolarHBondContact O-N 3.14Å; L1165-Y1169 VanDerWaalsContact O-CB 3.26Å; L1165-Y1169 WeakPolarHBondContact O-CB 3.37Å; L1165-Y1169 PolarHBondContact O-N 2.86Å
1166	H	68.5	Low	58.5	Low	119 Å²	119	109.4 Å²	109.4	55%	0.551	51%	0.513	S	S	*	.	H	α-helix	trans	-70.4	-42.7	177.2	-161.8	28.4	0	0	0	111.3	D1162 R1163 Y1169 E1170	D1162-H1166 WeakPolarHBondContact O-CB 3.4Å; D1162-H1166 PolarHBondContact O-N 2.8Å; R1163-H1166 PolarHBondContact O-N 3.48Å; H1166-Y1169 WeakPolarHBondContact O-CB 3.23Å; H1166-Y1169 PolarHBondContact O-N 3.34Å; H1166-E1170 WeakPolarHBondContact O-CB 3.44Å; H1166-E1170 WeakPolarHBondContact O-CG 3.45Å; H1166-E1170 PolarHBondContact O-N 3.44Å
1167	E	65.1	Low	59.6	Low	95 Å²	95	112 Å²	112	44%	0.444	52%	0.523	S	S	.	.	H	α-helix	trans	-58.6	-45.2	168.6	-97.3	-131.8	96.9	0	0	112.4	R1163 Y1169 E1170 R1171	R1163-E1167 WeakPolarHBondContact O-CB 3.34Å; R1163-E1167 PolarHBondContact O-N 3.25Å; E1167-Y1169 VanDerWaalsContact C-N 3.26Å; E1167-Y1169 PolarHBondContact O-N 2.76Å; E1167-E1170 PolarHBondContact O-N 3Å; E1167-R1171 WeakPolarHBondContact O-CB 3.39Å; E1167-R1171 VanDerWaalsContact O-CG 3.24Å; E1167-R1171 WeakPolarHBondContact O-CG 3.38Å; E1167-R1171 PolarHBondContact O-N 2.73Å; E1167-R1171 IonicContact OE1-CZ 3.57Å; E1167-R1171 VanDerWaalsContact OE1-CZ 3.29Å; E1167-R1171 IonicContact OE1-NE 3.98Å; E1167-R1171 PolarHBondContact OE1-NE 2.72Å; E1167-R1171 VanDerWaalsContact OE1-NE 3.12Å; E1167-R1171 IonicContact OE1-NH2 3.57Å; E1167-R1171 PolarHBondContact OE1-NH2 3.46Å; E1167-R1171 IonicContact OE2-CZ 3.68Å; E1167-R1171 IonicContact OE2-NH2 2.67Å; E1167-R1171 PolarHBondContact OE2-NH2 2.93Å
1168	R	54.6	Low	60	Low	177 Å²	177	108 Å²	108	67%	0.668	51%	0.511	S	S	*	.	H	α-helix	trans	-64.2	-34.3	176.7	-173	172.8	-179.8	165.6	2.4	111.6	L1164 L1165 L1172	L1164-R1168 VanDerWaalsContact O-CB 3.32Å; L1164-R1168 WeakPolarHBondContact O-CB 3.23Å; L1164-R1168 PolarHBondContact O-N 2.99Å; L1165-R1168 PolarHBondContact O-N 3.14Å; R1168-L1172 HydrophobicContact CG-CD1 4.25Å; R1168-L1172 WeakPolarHBondContact O-CB 3Å; R1168-L1172 WeakPolarHBondContact O-CD1 3.41Å; R1168-L1172 VanDerWaalsContact O-CG 3.23Å; R1168-L1172 WeakPolarHBondContact O-CG 3.37Å; R1168-L1172 PolarHBondContact O-N 3.06Å
1169	Y	67.5	Low	59.5	Low	139 Å²	139	107.6 Å²	107.6	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-70.3	-45.1	175.5	-178.7	-115.5	0	0	0	112.2	L1165 H1166 E1167 L1172 L1173	L1165-Y1169 VanDerWaalsContact O-CB 3.26Å; L1165-Y1169 WeakPolarHBondContact O-CB 3.37Å; L1165-Y1169 PolarHBondContact O-N 2.86Å; H1166-Y1169 WeakPolarHBondContact O-CB 3.23Å; H1166-Y1169 PolarHBondContact O-N 3.34Å; E1167-Y1169 VanDerWaalsContact C-N 3.26Å; E1167-Y1169 PolarHBondContact O-N 2.76Å; Y1169-L1172 PolarHBondContact O-N 3.17Å; Y1169-L1173 HydrophobicContact CD1-CD1 3.96Å; Y1169-L1173 HydrophobicContact CE1-CD1 3.47Å; Y1169-L1173 VanDerWaalsContact CE1-CD1 3.47Å; Y1169-L1173 HydrophobicContact CE2-CD1 4.2Å; Y1169-L1173 WeakPolarHBondContact O-CB 3.49Å; Y1169-L1173 PolarHBondContact O-N 2.98Å
1170	E	66.7	Low	58.8	Low	98 Å²	98	107 Å²	107	46%	0.458	51%	0.508	S	S	.	.	H	α-helix	trans	-55.4	-49.8	170.9	-82.1	-78.9	126.4	0	0	111.5	H1166 E1167 L1172 L1173 N1174	H1166-E1170 WeakPolarHBondContact O-CB 3.44Å; H1166-E1170 WeakPolarHBondContact O-CG 3.45Å; H1166-E1170 PolarHBondContact O-N 3.44Å; E1167-E1170 PolarHBondContact O-N 3Å; E1170-L1172 PolarHBondContact O-N 3.37Å; E1170-L1173 PolarHBondContact O-N 3.12Å; E1170-N1174 WeakPolarHBondContact O-CB 3.34Å; E1170-N1174 PolarHBondContact O-N 2.86Å; E1170-N1174 PolarHBondContact O-ND2 3.13Å
1171	R	60	Low	58.2	Low	150 Å²	150	104.5 Å²	104.5	57%	0.566	50%	0.503	S	S	*	.	H	α-helix	trans	-63.6	-40.2	178.8	-67.8	172.5	-167.5	-165.7	6	111.5	E1167 N1174 T1175	E1167-R1171 WeakPolarHBondContact O-CB 3.39Å; E1167-R1171 VanDerWaalsContact O-CG 3.24Å; E1167-R1171 WeakPolarHBondContact O-CG 3.38Å; E1167-R1171 PolarHBondContact O-N 2.73Å; E1167-R1171 IonicContact OE1-CZ 3.57Å; E1167-R1171 VanDerWaalsContact OE1-CZ 3.29Å; E1167-R1171 IonicContact OE1-NE 3.98Å; E1167-R1171 PolarHBondContact OE1-NE 2.72Å; E1167-R1171 VanDerWaalsContact OE1-NE 3.12Å; E1167-R1171 IonicContact OE1-NH2 3.57Å; E1167-R1171 PolarHBondContact OE1-NH2 3.46Å; E1167-R1171 IonicContact OE2-CZ 3.68Å; E1167-R1171 IonicContact OE2-NH2 2.67Å; E1167-R1171 PolarHBondContact OE2-NH2 2.93Å; R1171-N1174 PolarHBondContact O-N 3.17Å; R1171-T1175 WeakPolarHBondContact O-CG2 3.17Å; R1171-T1175 PolarHBondContact O-N 2.84Å; R1171-T1175 PolarHBondContact O-OG1 2.81Å
1172	L	59.8	Low	57.3	Low	92 Å²	92	104.6 Å²	104.6	48%	0.482	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-48	173.7	-77.6	167.7	0	0	0	112	R1168 Y1169 E1170 N1174 T1175 E1176	R1168-L1172 HydrophobicContact CG-CD1 4.25Å; R1168-L1172 WeakPolarHBondContact O-CB 3Å; R1168-L1172 WeakPolarHBondContact O-CD1 3.41Å; R1168-L1172 VanDerWaalsContact O-CG 3.23Å; R1168-L1172 WeakPolarHBondContact O-CG 3.37Å; R1168-L1172 PolarHBondContact O-N 3.06Å; Y1169-L1172 PolarHBondContact O-N 3.17Å; E1170-L1172 PolarHBondContact O-N 3.37Å; L1172-N1174 VanDerWaalsContact C-N 3.32Å; L1172-N1174 PolarHBondContact O-N 3.35Å; L1172-T1175 WeakPolarHBondContact CA-OG1 3.17Å; L1172-T1175 PolarHBondContact O-N 3.02Å; L1172-T1175 VanDerWaalsContact O-N 3.1Å; L1172-T1175 PolarHBondContact O-OG1 3.43Å; L1172-E1176 PolarHBondContact O-N 3.26Å
1173	L	64.2	Low	55.8	Low	60 Å²	60	104.4 Å²	104.4	31%	0.314	51%	0.514	S	S	.	.	H	α-helix	trans	-54.8	-46.6	174.2	-101.3	163	0	0	0	111.7	Y1169 E1170 T1175 E1176 V1177	Y1169-L1173 HydrophobicContact CD1-CD1 3.96Å; Y1169-L1173 HydrophobicContact CE1-CD1 3.47Å; Y1169-L1173 VanDerWaalsContact CE1-CD1 3.47Å; Y1169-L1173 HydrophobicContact CE2-CD1 4.2Å; Y1169-L1173 WeakPolarHBondContact O-CB 3.49Å; Y1169-L1173 PolarHBondContact O-N 2.98Å; E1170-L1173 PolarHBondContact O-N 3.12Å; L1173-T1175 VanDerWaalsContact C-N 3.35Å; L1173-T1175 PolarHBondContact O-N 3.4Å; L1173-E1176 PolarHBondContact O-N 3.37Å; L1173-V1177 WeakPolarHBondContact O-CB 3.35Å; L1173-V1177 VanDerWaalsContact O-CG2 3.31Å; L1173-V1177 WeakPolarHBondContact O-CG2 3.39Å; L1173-V1177 PolarHBondContact O-N 3.25Å
1174	N	67.1	Low	54.1	Low	90 Å²	90	106.9 Å²	106.9	48%	0.481	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-38.2	177.3	-74.4	-46.8	0	0	0	111.8	E1170 R1171 L1172 V1177 E1178	E1170-N1174 WeakPolarHBondContact O-CB 3.34Å; E1170-N1174 PolarHBondContact O-N 2.86Å; E1170-N1174 PolarHBondContact O-ND2 3.13Å; R1171-N1174 PolarHBondContact O-N 3.17Å; L1172-N1174 VanDerWaalsContact C-N 3.32Å; L1172-N1174 PolarHBondContact O-N 3.35Å; N1174-V1177 PolarHBondContact O-N 3.03Å; N1174-E1178 WeakPolarHBondContact O-CB 3.41Å; N1174-E1178 WeakPolarHBondContact O-CG 3.39Å; N1174-E1178 PolarHBondContact O-N 2.71Å
1175	T	59.7	Low	52.7	Low	83 Å²	83	113 Å²	113	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-68.1	-33.6	172.1	56.2	0	0	0	0	113.9	R1171 L1172 L1173 A1179	R1171-T1175 WeakPolarHBondContact O-CG2 3.17Å; R1171-T1175 PolarHBondContact O-N 2.84Å; R1171-T1175 PolarHBondContact O-OG1 2.81Å; L1172-T1175 WeakPolarHBondContact CA-OG1 3.17Å; L1172-T1175 PolarHBondContact O-N 3.02Å; L1172-T1175 VanDerWaalsContact O-N 3.1Å; L1172-T1175 PolarHBondContact O-OG1 3.43Å; L1173-T1175 VanDerWaalsContact C-N 3.35Å; L1173-T1175 PolarHBondContact O-N 3.4Å; T1175-A1179 VanDerWaalsContact O-CB 3.27Å; T1175-A1179 WeakPolarHBondContact O-CB 3.14Å; T1175-A1179 PolarHBondContact O-N 3.32Å
1176	E	51.9	Low	50.9	Low	129 Å²	129	116.5 Å²	116.5	60%	0.603	56%	0.56	S	S	*	*	H	α-helix	trans	-69.8	-39.6	173.1	-71.3	-171.1	156.6	0	0	111.7	L1172 L1173 A1179 T1180	L1172-E1176 PolarHBondContact O-N 3.26Å; L1173-E1176 PolarHBondContact O-N 3.37Å; E1176-A1179 PolarHBondContact O-N 2.71Å; E1176-T1180 WeakPolarHBondContact O-CB 3.32Å; E1176-T1180 VanDerWaalsContact O-CG2 3.3Å; E1176-T1180 WeakPolarHBondContact O-CG2 3.44Å; E1176-T1180 PolarHBondContact O-N 3.42Å; E1176-T1180 PolarHBondContact O-OG1 3.24Å
1177	V	56.5	Low	49	Very low	81 Å²	81	119.7 Å²	119.7	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-65.7	-39.6	173.5	170.3	0	0	0	0	111.1	L1173 N1174 T1180 S1181	L1173-V1177 WeakPolarHBondContact O-CB 3.35Å; L1173-V1177 VanDerWaalsContact O-CG2 3.31Å; L1173-V1177 WeakPolarHBondContact O-CG2 3.39Å; L1173-V1177 PolarHBondContact O-N 3.25Å; N1174-V1177 PolarHBondContact O-N 3.03Å; V1177-T1180 WeakPolarHBondContact CA-OG1 3.22Å; V1177-T1180 PolarHBondContact O-OG1 3.16Å; V1177-S1181 WeakPolarHBondContact O-CB 3.21Å; V1177-S1181 PolarHBondContact O-N 3.49Å; V1177-S1181 PolarHBondContact O-OG 3.18Å
1178	E	47	Very low	47.2	Very low	104 Å²	104	127.4 Å²	127.4	49%	0.486	60%	0.6	S	S	.	*	H	α-helix	trans	-66.9	-44.8	172.4	-79.7	-155.4	-179.1	0	0	112.5	N1174 T1180 S1181 K1182	N1174-E1178 WeakPolarHBondContact O-CB 3.41Å; N1174-E1178 WeakPolarHBondContact O-CG 3.39Å; N1174-E1178 PolarHBondContact O-N 2.71Å; E1178-T1180 PolarHBondContact O-N 3.05Å; E1178-S1181 WeakPolarHBondContact CA-OG 3.34Å; E1178-S1181 PolarHBondContact O-N 2.98Å; E1178-S1181 PolarHBondContact O-OG 3.02Å; E1178-K1182 HydrophobicContact CB-CD 4.5Å; E1178-K1182 VanDerWaalsContact O-CB 3.23Å; E1178-K1182 WeakPolarHBondContact O-CB 3.25Å; E1178-K1182 WeakPolarHBondContact O-CD 3.23Å; E1178-K1182 WeakPolarHBondContact O-CG 3.43Å; E1178-K1182 PolarHBondContact O-N 3.38Å; E1178-K1182 IonicContact OE2-NZ 2.84Å; E1178-K1182 PolarHBondContact OE2-NZ 2.69Å
1179	A	45.4	Very low	45.8	Very low	59 Å²	59	124.3 Å²	124.3	49%	0.488	61%	0.606	S	S	.	*	H	α-helix	trans	-62.1	-44.7	178.5	0	0	0	0	0	111.6	T1175 E1176 S1183	T1175-A1179 VanDerWaalsContact O-CB 3.27Å; T1175-A1179 WeakPolarHBondContact O-CB 3.14Å; T1175-A1179 PolarHBondContact O-N 3.32Å; E1176-A1179 PolarHBondContact O-N 2.71Å; A1179-S1183 VanDerWaalsContact O-CB 3.26Å; A1179-S1183 WeakPolarHBondContact O-CB 3.31Å; A1179-S1183 PolarHBondContact O-N 2.63Å
1180	T	42.2	Very low	43.8	Very low	86 Å²	86	125.1 Å²	125.1	53%	0.528	62%	0.616	S	S	.	*	H	α-helix	trans	-71.6	-32.1	179.1	54.3	0	0	0	0	113.1	E1176 V1177 E1178 R1184	E1176-T1180 WeakPolarHBondContact O-CB 3.32Å; E1176-T1180 VanDerWaalsContact O-CG2 3.3Å; E1176-T1180 WeakPolarHBondContact O-CG2 3.44Å; E1176-T1180 PolarHBondContact O-N 3.42Å; E1176-T1180 PolarHBondContact O-OG1 3.24Å; V1177-T1180 WeakPolarHBondContact CA-OG1 3.22Å; V1177-T1180 PolarHBondContact O-OG1 3.16Å; E1178-T1180 PolarHBondContact O-N 3.05Å; T1180-R1184 PolarHBondContact O-N 2.71Å
1181	S	37.3	Very low	42.1	Very low	50 Å²	50	127.6 Å²	127.6	35%	0.35	63%	0.627	S	S	.	*	H	α-helix	trans	-78.5	-34.3	175.4	61	0	0	0	0	113.5	V1177 E1178 R1184	V1177-S1181 WeakPolarHBondContact O-CB 3.21Å; V1177-S1181 PolarHBondContact O-N 3.49Å; V1177-S1181 PolarHBondContact O-OG 3.18Å; E1178-S1181 WeakPolarHBondContact CA-OG 3.34Å; E1178-S1181 PolarHBondContact O-N 2.98Å; E1178-S1181 PolarHBondContact O-OG 3.02Å; S1181-R1184 PolarHBondContact O-N 3.31Å
1182	K	35.9	Very low	40.6	Very low	143 Å²	143	127.5 Å²	127.5	62%	0.622	64%	0.638	S	S	*	*	H	α-helix	trans	-67.3	-37.8	170.3	-71.8	165.7	178.9	170.8	0	111.3	E1178 R1184	E1178-K1182 HydrophobicContact CB-CD 4.5Å; E1178-K1182 VanDerWaalsContact O-CB 3.23Å; E1178-K1182 WeakPolarHBondContact O-CB 3.25Å; E1178-K1182 WeakPolarHBondContact O-CD 3.23Å; E1178-K1182 WeakPolarHBondContact O-CG 3.43Å; E1178-K1182 PolarHBondContact O-N 3.38Å; E1178-K1182 IonicContact OE2-NZ 2.84Å; E1178-K1182 PolarHBondContact OE2-NZ 2.69Å; K1182-R1184 PolarHBondContact O-N 3.37Å
1183	S	33.6	Very low	39.3	Very low	102 Å²	102	128.3 Å²	128.3	71%	0.713	65%	0.649	S	S	*	*	H	α-helix	trans	-67.7	-30.3	174.7	-174.2	0	0	0	0	113.9	A1179 R1185	A1179-S1183 VanDerWaalsContact O-CB 3.26Å; A1179-S1183 WeakPolarHBondContact O-CB 3.31Å; A1179-S1183 PolarHBondContact O-N 2.63Å; S1183-R1185 VanDerWaalsContact C-N 3.35Å; S1183-R1185 PolarHBondContact O-N 3.19Å
1184	R	30.7	Very low	37.4	Very low	229 Å²	229	130.8 Å²	130.8	86%	0.864	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-2.6	-178.6	-86.6	-178	166.9	176.1	-2.4	115.9	T1180 S1181 K1182	T1180-R1184 PolarHBondContact O-N 2.71Å; S1181-R1184 PolarHBondContact O-N 3.31Å; K1182-R1184 PolarHBondContact O-N 3.37Å
1185	R	28.4	Very low	35.6	Very low	209 Å²	209	131.8 Å²	131.8	79%	0.789	68%	0.681	S	S	*	*	S	Bend	trans	-108.3	50.6	-176.9	-69.7	-176.4	176.8	162	0.9	114.1	S1183	S1183-R1185 VanDerWaalsContact C-N 3.35Å; S1183-R1185 PolarHBondContact O-N 3.19Å
1186	N	27.7	Very low	34.1	Very low	151 Å²	151	136 Å²	136	81%	0.807	69%	0.694	S	S	*	*	S	Bend	trans	-158	28.8	167.5	-108.9	-21.3	0	0	0	117.8
1187	H	28	Very low	33.1	Very low	187 Å²	187	136.3 Å²	136.3	87%	0.866	70%	0.7	S	S	*	*	S	Bend	trans	-156.4	93.2	164.4	-94.7	-51.9	0	0	0	113.9
1188	R	27.5	Very low	31.9	Very low	256 Å²	256	137.9 Å²	137.9	97%	0.966	71%	0.71	S	S	*	*			trans	169.1	113.2	133.6	-96.7	171.7	178.8	-177.8	-0	111
1189	S	24	Very low	31.2	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	73%	0.729	S	S	*	*			trans	-100.5	151.2	153.6	178.3	0	0	0	0	108.8
1190	M	26	Very low	30.6	Very low	155 Å²	155	140.4 Å²	140.4	76%	0.764	74%	0.74	S	S	*	*			trans	126.2	137.6	156.9	-63.3	-145.8	77.8	0	0	115.3
1191	H	32.1	Very low	30	Very low	150 Å²	150	142.4 Å²	142.4	69%	0.694	75%	0.748	S	S	*	*			trans	78.7	87	170.2	-63.5	-64.9	0	0	0	120.7
1192	N	28.5	Very low	29.9	Very low	148 Å²	148	148.8 Å²	148.8	79%	0.791	77%	0.769	S	S	*	*				76.8	155.7	115.6	-80.2	22.6	0	0	0	121.1
1193	P	32.6	Very low	29.6	Very low	109 Å²	109	149.9 Å²	149.9	71%	0.708	77%	0.774	S	S	*	*			trans	-130.1	-162.3	-130.8	46.3	-33.3	0	0	0	115.5
1194	S	24.1	Very low	29.3	Very low	113 Å²	113	149.2 Å²	149.2	79%	0.79	77%	0.766	S	S	*	*			trans	78.8	148.4	177.9	78.2	0	0	0	0	114.3
1195	V	28.5	Very low	29.4	Very low	111 Å²	111	144.6 Å²	144.6	67%	0.673	76%	0.758	S	S	*	*			cis	-139.9	133.9	18.5	165.7	0	0	0	0	111.8
1196	E	27.9	Very low	29.6	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	76%	0.757	S	S	*	*			trans	44	157.7	145.3	-58.8	167.9	153.5	0	0	125.4
1197	D	31.9	Very low	29.5	Very low	137 Å²	137	141 Å²	141	73%	0.733	75%	0.754	S	S	*	*			trans	80.2	127.3	151	-79.4	-21.9	0	0	0	123.5
1198	T	31	Very low	29.6	Very low	113 Å²	113	138.3 Å²	138.3	69%	0.693	75%	0.746	S	S	*	*			cis	-162.9	163.8	-20.9	-12.4	0	0	0	0	113.8
1199	V	32.6	Very low	29.6	Very low	147 Å²	147	132.9 Å²	132.9	89%	0.891	74%	0.736	S	S	*	*			trans	72.3	130.4	160.8	-178.2	0	0	0	0	118.7
1200	G	32.5	Very low	29.9	Very low	70 Å²	70	130.9 Å²	130.9	72%	0.722	73%	0.734	S	S	*	*			trans	-175.5	-52.1	167.8	0	0	0	0	0	117
1201	D	30.3	Very low	30	Very low	127 Å²	127	131 Å²	131	68%	0.679	74%	0.735	S	S	*	*			trans	46.9	102.6	162.6	-97.6	6.3	0	0	0	121.7
1202	K	34.1	Very low	29.8	Very low	185 Å²	185	130.8 Å²	130.8	80%	0.804	74%	0.738	S	S	*	*				168.4	118	111.1	-89.8	158.3	-170.7	175.9	0	112.1
1203	F	29.3	Very low	29.6	Very low	166 Å²	166	128.7 Å²	128.7	73%	0.728	74%	0.735	S	S	*	*				100.8	134	58.8	-104.3	-117.2	0	0	0	110.8
1204	T	28.1	Very low	29.4	Very low	87 Å²	87	132.1 Å²	132.1	53%	0.534	74%	0.739	S	S	.	*			cis	-171.8	179.1	-21.9	32.3	0	0	0	0	109.2
1205	D	32.3	Very low	29.4	Very low	132 Å²	132	133.3 Å²	133.3	71%	0.706	73%	0.732	S	S	*	*			trans	82.1	143.2	149.7	-53.5	-46.3	0	0	0	120.1
1206	L	32	Very low	29.3	Very low	144 Å²	144	135 Å²	135	75%	0.754	74%	0.736	S	S	*	*			cis	-157.7	171.5	-16.2	-117.2	169.5	0	0	0	112
1207	N	26.9	Very low	29.2	Very low	141 Å²	141	135.7 Å²	135.7	75%	0.754	74%	0.737	S	S	*	*			trans	-94.2	-170.2	-168.5	-69.2	-49.9	0	0	0	115.8
1208	N	29.5	Very low	29	Very low	130 Å²	130	136.2 Å²	136.2	70%	0.695	74%	0.739	S	S	*	*			trans	97.3	145.1	160.9	-59	38.9	0	0	0	116.4
1209	D	27.7	Very low	28.7	Very low	142 Å²	142	138 Å²	138	76%	0.759	74%	0.739	S	S	*	*			cis	-165.7	138.8	-13.1	-102.3	-30.3	0	0	0	112.7
1210	G	29.9	Very low	28.6	Very low	72 Å²	72	138.2 Å²	138.2	74%	0.742	73%	0.728	S	S	*	*			trans	68.3	-180	152.6	0	0	0	0	0	121.2
1211	I	27.9	Very low	28.6	Very low	156 Å²	156	140.9 Å²	140.9	80%	0.8	73%	0.726	S	S	*	*			cis	-166.6	141.1	-18.6	-120.1	164.8	0	0	0	113.3
1212	I	27.9	Very low	28.6	Very low	146 Å²	146	142.4 Å²	142.4	75%	0.749	73%	0.734	S	S	*	*			trans	59.7	112	154.1	-58.9	170.6	0	0	0	123
1213	S	25.9	Very low	28.6	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	73%	0.734	S	S	*	*			trans	17.4	127.8	132.5	-38.7	0	0	0	0	124.1
1214	K	26.5	Very low	28.6	Very low	180 Å²	180	137.1 Å²	137.1	78%	0.783	74%	0.74	S	S	*	*				174.1	147.6	103.4	-102	-178.6	171.5	-112.4	0	116.6
1215	E	25.5	Very low	28.6	Very low	139 Å²	139	137.9 Å²	137.9	65%	0.65	75%	0.75	S	S	*	*			trans	19.2	131.5	146.9	-63.1	167.4	105.5	0	0	123.3
1216	L	25.5	Very low	28.4	Very low	145 Å²	145	136.9 Å²	136.9	76%	0.759	75%	0.748	S	S	*	*			trans	59.4	105.6	141	-75.9	163.8	0	0	0	121.3
1217	K	26.7	Very low	28.2	Very low	186 Å²	186	137.2 Å²	137.2	81%	0.809	75%	0.751	S	S	*	*			trans	90	140	143.2	-62.6	179.3	175.6	176.8	0	120.5
1218	L	26.9	Very low	28.1	Very low	148 Å²	148	135.8 Å²	135.8	78%	0.775	75%	0.752	S	S	*	*			trans	82.7	99.1	157.5	-70.6	163.6	0	0	0	119.8
1219	E	25.7	Very low	28.1	Very low	149 Å²	149	139.2 Å²	139.2	70%	0.696	76%	0.757	S	S	*	*				62.4	120.9	125.1	-83.3	-170.9	-147.7	0	0	122.3
1220	K	30.1	Very low	28.4	Very low	153 Å²	153	136.9 Å²	136.9	67%	0.665	74%	0.743	S	S	*	*			trans	109.7	110.1	138.4	-74.9	-173.3	175.5	89.3	0	120.8
1221	D	31.4	Very low	28.7	Very low	126 Å²	126	136.2 Å²	136.2	67%	0.674	73%	0.727	S	S	*	*				87	113.9	126.6	-51.1	-12	0	0	0	121.1
1222	D	32	Very low	29	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	72%	0.716	S	S	*	*			trans	86.7	82.4	140.3	-58.2	-9.7	0	0	0	123.7
1223	G	32.3	Very low	29.6	Very low	77 Å²	77	135.6 Å²	135.6	79%	0.794	72%	0.718	S	S	*	*				90.1	161.3	124.2	0	0	0	0	0	121
1224	N	29.2	Very low	30.3	Very low	163 Å²	163	136.5 Å²	136.5	87%	0.872	71%	0.711	S	S	*	*			cis	-167.2	117.2	-17.4	-155.7	28.9	0	0	0	112
1225	S	28.7	Very low	31.1	Very low	104 Å²	104	134 Å²	134	73%	0.727	70%	0.7	S	S	*	*			trans	-179.4	96.2	158.7	59	0	0	0	0	113.4
1226	T	28.4	Very low	31.9	Very low	111 Å²	111	132.4 Å²	132.4	68%	0.681	70%	0.695	S	S	*	*			trans	-151.1	92	168.5	51	0	0	0	0	110.5
1227	D	27.1	Very low	32.6	Very low	150 Å²	150	132 Å²	132	80%	0.802	69%	0.688	S	S	*	*			trans	-94.1	168.4	-175	-72.1	-58.9	0	0	0	114
1228	S	26.4	Very low	33.8	Very low	111 Å²	111	127.1 Å²	127.1	78%	0.776	67%	0.67	S	S	*	*	S	Bend	trans	83.5	0.6	169.4	76.3	0	0	0	0	121.5
1229	Y	29.6	Very low	35.2	Very low	203 Å²	203	123.6 Å²	123.6	80%	0.796	65%	0.647	S	S	*	*	S	Bend	trans	-135.5	10.4	172.9	-96.3	-77.4	0	0	0	117.3
1230	I	32.6	Very low	36.9	Very low	93 Å²	93	118.1 Å²	118.1	48%	0.477	62%	0.623	S	S	.	*	S	Bend	trans	-108.6	-23.5	-172.9	-66.5	175.3	0	0	0	114.1	D1232 E1234	I1230-D1232 PolarHBondContact O-N 2.98Å; I1230-D1232 VanDerWaalsContact O-N 3.12Å; I1230-E1234 HydrophobicContact CG2-CG 4.07Å
1231	S	35.9	Very low	38.4	Very low	57 Å²	57	116 Å²	116	40%	0.399	61%	0.614	S	S	.	*	H	α-helix	trans	-36.3	-57	-175.5	166.7	0	0	0	0	116.1	E1234 K1235	S1231-E1234 PolarHBondContact O-N 3.14Å; S1231-K1235 WeakPolarHBondContact O-CG 3.31Å; S1231-K1235 PolarHBondContact O-N 2.76Å; S1231-K1235 VanDerWaalsContact O-N 3.17Å; S1231-K1235 VanDerWaalsContact OG-CE 3.32Å; S1231-K1235 WeakPolarHBondContact OG-CE 3.38Å; S1231-K1235 PolarHBondContact OG-NZ 2.82Å
1232	D	35.9	Very low	39.8	Very low	106 Å²	106	112.1 Å²	112.1	57%	0.567	60%	0.6	S	S	*	*	H	α-helix	trans	-88.7	-18.6	-157.5	-60.3	-20.7	0	0	0	114	I1230 K1235 L1236	I1230-D1232 PolarHBondContact O-N 2.98Å; I1230-D1232 VanDerWaalsContact O-N 3.12Å; D1232-K1235 IonicContact OD1-NZ 2.68Å; D1232-K1235 PolarHBondContact OD1-NZ 3.35Å; D1232-L1236 PolarHBondContact O-N 2.96Å
1233	K	39.3	Very low	41.4	Very low	184 Å²	184	105.7 Å²	105.7	80%	0.8	57%	0.566	S	S	*	*	H	α-helix	trans	-74.3	-34.1	169.5	-77.5	178.3	178.8	168.5	0	111.6	F1237	K1233-F1237 WeakPolarHBondContact O-CB 3.5Å; K1233-F1237 PolarHBondContact O-N 3.19Å; K1233-F1237 VanDerWaalsContact O-N 3.09Å
1234	E	39.9	Very low	42.9	Very low	124 Å²	124	108.6 Å²	108.6	58%	0.579	55%	0.553	S	S	*	*	H	α-helix	trans	-72.5	-43.4	175.9	-63.7	-164.1	124.1	0	0	111.8	I1230 S1231 L1236 F1237 D1238	I1230-E1234 HydrophobicContact CG2-CG 4.07Å; S1231-E1234 PolarHBondContact O-N 3.14Å; E1234-L1236 VanDerWaalsContact C-N 3.27Å; E1234-L1236 PolarHBondContact O-N 3.19Å; E1234-F1237 CarbonylContact O-C 3.56Å; E1234-F1237 WeakPolarHBondContact O-CA 3.49Å; E1234-F1237 WeakPolarHBondContact O-CB 2.97Å; E1234-F1237 PolarHBondContact O-N 2.7Å; E1234-D1238 PolarHBondContact O-N 2.79Å
1235	K	43.7	Very low	44.5	Very low	127 Å²	127	105.2 Å²	105.2	55%	0.552	53%	0.532	S	S	*	.	H	α-helix	trans	-53.8	-41.2	172.4	-73.6	166	176.1	167.4	0	112.8	S1231 D1232 R1239	S1231-K1235 WeakPolarHBondContact O-CG 3.31Å; S1231-K1235 PolarHBondContact O-N 2.76Å; S1231-K1235 VanDerWaalsContact O-N 3.17Å; S1231-K1235 VanDerWaalsContact OG-CE 3.32Å; S1231-K1235 WeakPolarHBondContact OG-CE 3.38Å; S1231-K1235 PolarHBondContact OG-NZ 2.82Å; D1232-K1235 IonicContact OD1-NZ 2.68Å; D1232-K1235 PolarHBondContact OD1-NZ 3.35Å; K1235-R1239 WeakPolarHBondContact O-CB 3.38Å; K1235-R1239 PolarHBondContact O-N 3.31Å
1236	L	43.4	Very low	46.3	Very low	105 Å²	105	100.2 Å²	100.2	55%	0.55	50%	0.497	S	S	.	.	H	α-helix	trans	-69.5	-35.5	174.4	-108.9	162.2	0	0	0	113	D1232 E1234 T1240	D1232-L1236 PolarHBondContact O-N 2.96Å; E1234-L1236 VanDerWaalsContact C-N 3.27Å; E1234-L1236 PolarHBondContact O-N 3.19Å; L1236-T1240 WeakPolarHBondContact O-CG2 3.25Å; L1236-T1240 PolarHBondContact O-N 2.85Å; L1236-T1240 PolarHBondContact O-OG1 2.66Å
1237	F	40.4	Very low	47.8	Very low	138 Å²	138	99.7 Å²	99.7	61%	0.605	49%	0.49	S	S	*	.	H	α-helix	trans	-70.2	-43.4	177.9	-152.4	-98.5	0	0	0	111.8	K1233 E1234 T1240 K1241	K1233-F1237 WeakPolarHBondContact O-CB 3.5Å; K1233-F1237 PolarHBondContact O-N 3.19Å; K1233-F1237 VanDerWaalsContact O-N 3.09Å; E1234-F1237 CarbonylContact O-C 3.56Å; E1234-F1237 WeakPolarHBondContact O-CA 3.49Å; E1234-F1237 WeakPolarHBondContact O-CB 2.97Å; E1234-F1237 PolarHBondContact O-N 2.7Å; F1237-T1240 PolarHBondContact O-N 2.96Å; F1237-T1240 PolarHBondContact O-OG1 3.08Å; F1237-K1241 WeakPolarHBondContact O-CB 3.36Å; F1237-K1241 PolarHBondContact O-N 3.28Å
1238	D	50.1	Low	49.5	Very low	83 Å²	83	99.5 Å²	99.5	44%	0.444	48%	0.481	S	S	.	.	H	α-helix	trans	-71.6	-37.4	177.6	-86	-22.9	0	0	0	112.9	E1234 T1240 K1241 A1242	E1234-D1238 PolarHBondContact O-N 2.79Å; D1238-T1240 VanDerWaalsContact C-N 3.32Å; D1238-T1240 PolarHBondContact O-N 3.09Å; D1238-K1241 WeakPolarHBondContact O-CB 3.24Å; D1238-K1241 PolarHBondContact O-N 3.26Å; D1238-K1241 WeakPolarHBondContact OD1-CD 3.27Å; D1238-K1241 WeakPolarHBondContact OD1-CE 3.45Å; D1238-K1241 IonicContact OD1-NZ 3.93Å; D1238-K1241 PolarHBondContact OD1-NZ 3.01Å; D1238-A1242 PolarHBondContact O-N 3.48Å
1239	R	58.1	Low	51.4	Low	73 Å²	73	96 Å²	96	28%	0.275	45%	0.454	S	S	.	.	H	α-helix	trans	-53.3	-47.7	167.4	-89.9	170.3	152.1	-175	-10.3	111.7	K1235 K1241 V1243 D1268	K1235-R1239 WeakPolarHBondContact O-CB 3.38Å; K1235-R1239 PolarHBondContact O-N 3.31Å; R1239-K1241 VanDerWaalsContact C-N 3.31Å; R1239-K1241 PolarHBondContact O-N 3.31Å; R1239-V1243 WeakPolarHBondContact O-CG2 3.46Å; R1239-V1243 PolarHBondContact O-N 3.26Å; R1239-D1268 IonicContact CZ-OD1 3.91Å; R1239-D1268 IonicContact CZ-OD2 3.61Å; R1239-D1268 IonicContact NE-OD1 3.32Å; R1239-D1268 PolarHBondContact NE-OD1 3.04Å; R1239-D1268 IonicContact NE-OD2 2.85Å; R1239-D1268 IonicContact NH2-OD1 3.54Å; R1239-D1268 PolarHBondContact NH2-OD1 3.41Å; R1239-D1268 IonicContact NH2-OD2 3.72Å; R1239-D1268 PolarHBondContact NH2-OD2 2.8Å
1240	T	60.2	Low	53	Low	34 Å²	34	97.6 Å²	97.6	21%	0.209	46%	0.459	C	S	.	.	H	α-helix	trans	-74.2	-16.9	177.9	64.3	0	0	0	0	114.1	L1236 F1237 D1238 R1244	L1236-T1240 WeakPolarHBondContact O-CG2 3.25Å; L1236-T1240 PolarHBondContact O-N 2.85Å; L1236-T1240 PolarHBondContact O-OG1 2.66Å; F1237-T1240 PolarHBondContact O-N 2.96Å; F1237-T1240 PolarHBondContact O-OG1 3.08Å; D1238-T1240 VanDerWaalsContact C-N 3.32Å; D1238-T1240 PolarHBondContact O-N 3.09Å; T1240-R1244 VanDerWaalsContact C-NH1 3.32Å; T1240-R1244 WeakPolarHBondContact O-CB 3.37Å; T1240-R1244 WeakPolarHBondContact O-CG 3.16Å; T1240-R1244 PolarHBondContact O-N 2.97Å; T1240-R1244 PolarHBondContact O-NH1 2.64Å; T1240-R1244 PolarHBondContact OG1-NH1 3.46Å
1241	K	62.4	Low	54.8	Low	110 Å²	110	94 Å²	94	48%	0.478	44%	0.44	S	S	.	.	H	α-helix	trans	-81	-46.4	174	-176.6	-168.5	-178.9	-179.4	0	111.1	F1237 D1238 R1239 V1243 R1244 E1245	F1237-K1241 WeakPolarHBondContact O-CB 3.36Å; F1237-K1241 PolarHBondContact O-N 3.28Å; D1238-K1241 WeakPolarHBondContact O-CB 3.24Å; D1238-K1241 PolarHBondContact O-N 3.26Å; D1238-K1241 WeakPolarHBondContact OD1-CD 3.27Å; D1238-K1241 WeakPolarHBondContact OD1-CE 3.45Å; D1238-K1241 IonicContact OD1-NZ 3.93Å; D1238-K1241 PolarHBondContact OD1-NZ 3.01Å; R1239-K1241 VanDerWaalsContact C-N 3.31Å; R1239-K1241 PolarHBondContact O-N 3.31Å; K1241-V1243 PolarHBondContact O-N 3.34Å; K1241-R1244 WeakPolarHBondContact O-CB 3.27Å; K1241-R1244 PolarHBondContact O-N 3.27Å; K1241-R1244 VanDerWaalsContact O-N 3.11Å; K1241-E1245 PolarHBondContact O-N 3.39Å
1242	A	60.3	Low	56.7	Low	44 Å²	44	93.3 Å²	93.3	36%	0.364	44%	0.435	S	S	.	.	H	α-helix	trans	-58	-47.7	174.2	0	0	0	0	0	111.7	D1238 R1244 E1245 V1246	D1238-A1242 PolarHBondContact O-N 3.48Å; A1242-R1244 VanDerWaalsContact C-N 3.33Å; A1242-R1244 PolarHBondContact O-N 2.88Å; A1242-E1245 PolarHBondContact O-N 3.48Å; A1242-V1246 WeakPolarHBondContact O-CG2 3.35Å; A1242-V1246 PolarHBondContact O-N 3.28Å
1243	V	65.1	Low	58.2	Low	22 Å²	22	99.5 Å²	99.5	13%	0.133	45%	0.451	C	S	.	.	H	α-helix	trans	-63.9	-35.9	175.1	174.7	0	0	0	0	111.8	R1239 K1241 V1246 L1247 Y1263	R1239-V1243 WeakPolarHBondContact O-CG2 3.46Å; R1239-V1243 PolarHBondContact O-N 3.26Å; K1241-V1243 PolarHBondContact O-N 3.34Å; V1243-V1246 PolarHBondContact O-N 3.25Å; V1243-L1247 HydrophobicContact CG1-CD1 3.88Å; V1243-L1247 HydrophobicContact CG1-CG 4.28Å; V1243-L1247 WeakPolarHBondContact O-CB 3.42Å; V1243-L1247 WeakPolarHBondContact O-CG 3.43Å; V1243-L1247 PolarHBondContact O-N 2.93Å; V1243-Y1263 HydrophobicContact CG2-CD2 3.81Å; V1243-Y1263 HydrophobicContact CG2-CE2 4.17Å
1244	R	64.2	Low	59.8	Low	139 Å²	139	98.1 Å²	98.1	53%	0.525	45%	0.447	S	S	.	.	H	α-helix	trans	-64.2	-40.4	173.1	-83.9	178.1	-161.2	106.4	-6.3	112.9	T1240 K1241 A1242 L1247 K1248	T1240-R1244 VanDerWaalsContact C-NH1 3.32Å; T1240-R1244 WeakPolarHBondContact O-CB 3.37Å; T1240-R1244 WeakPolarHBondContact O-CG 3.16Å; T1240-R1244 PolarHBondContact O-N 2.97Å; T1240-R1244 PolarHBondContact O-NH1 2.64Å; T1240-R1244 PolarHBondContact OG1-NH1 3.46Å; K1241-R1244 WeakPolarHBondContact O-CB 3.27Å; K1241-R1244 PolarHBondContact O-N 3.27Å; K1241-R1244 VanDerWaalsContact O-N 3.11Å; A1242-R1244 VanDerWaalsContact C-N 3.33Å; A1242-R1244 PolarHBondContact O-N 2.88Å; R1244-L1247 PolarHBondContact O-N 3.25Å; R1244-K1248 WeakPolarHBondContact O-CG 3.22Å; R1244-K1248 PolarHBondContact O-N 2.61Å
1245	E	63.4	Low	61.6	Low	91 Å²	91	92.9 Å²	92.9	43%	0.425	42%	0.423	S	S	.	.	H	α-helix	trans	-65.5	-44.6	175.2	-65.9	-50.4	136	0	0	111.4	K1241 A1242 L1247 K1248	K1241-E1245 PolarHBondContact O-N 3.39Å; A1242-E1245 PolarHBondContact O-N 3.48Å; E1245-L1247 VanDerWaalsContact C-N 3.3Å; E1245-L1247 PolarHBondContact O-N 3.01Å; E1245-K1248 WeakPolarHBondContact O-CB 3.41Å; E1245-K1248 PolarHBondContact O-N 2.88Å; E1245-K1248 WeakPolarHBondContact OE1-CE 3.4Å; E1245-K1248 IonicContact OE1-NZ 3.58Å; E1245-K1248 PolarHBondContact OE1-NZ 2.92Å; E1245-K1248 WeakPolarHBondContact OE2-CD 3.44Å; E1245-K1248 VanDerWaalsContact OE2-CE 3.32Å; E1245-K1248 WeakPolarHBondContact OE2-CE 3.45Å; E1245-K1248 IonicContact OE2-NZ 2.71Å; E1245-K1248 PolarHBondContact OE2-NZ 2.99Å
1246	V	65.8	Low	63.1	Low	0 Å²	0	91.5 Å²	91.5	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-64.3	-33.7	177.3	170.3	0	0	0	0	112	A1242 V1243 K1248 L1249 L1251 V1259 V1275 L1278	A1242-V1246 WeakPolarHBondContact O-CG2 3.35Å; A1242-V1246 PolarHBondContact O-N 3.28Å; V1243-V1246 PolarHBondContact O-N 3.25Å; V1246-K1248 PolarHBondContact O-N 2.98Å; V1246-L1249 WeakPolarHBondContact O-CB 3.37Å; V1246-L1249 PolarHBondContact O-N 2.98Å; V1246-L1249 VanDerWaalsContact O-N 3.08Å; V1246-L1251 HydrophobicContact CG1-CD1 3.77Å; V1246-L1251 WeakPolarHBondContact O-CD1 3.49Å; V1246-V1259 HydrophobicContact CG1-CG1 4.42Å; V1246-V1259 HydrophobicContact CG1-CG2 3.96Å; V1246-V1275 HydrophobicContact CG2-CB 4.21Å; V1246-V1275 HydrophobicContact CG2-CG1 3.73Å; V1246-V1275 HydrophobicContact CG2-CG2 3.82Å; V1246-L1278 HydrophobicContact CG1-CD1 4.33Å
1247	L	60.6	Low	64.4	Low	100 Å²	100	95.5 Å²	95.5	52%	0.524	43%	0.425	S	S	.	.	H	α-helix	trans	-68.9	-14.8	172.7	-75.9	170.3	0	0	0	114.4	V1243 R1244 E1245	V1243-L1247 HydrophobicContact CG1-CD1 3.88Å; V1243-L1247 HydrophobicContact CG1-CG 4.28Å; V1243-L1247 WeakPolarHBondContact O-CB 3.42Å; V1243-L1247 WeakPolarHBondContact O-CG 3.43Å; V1243-L1247 PolarHBondContact O-N 2.93Å; R1244-L1247 PolarHBondContact O-N 3.25Å; E1245-L1247 VanDerWaalsContact C-N 3.3Å; E1245-L1247 PolarHBondContact O-N 3.01Å
1248	K	61.7	Low	66.2	Low	145 Å²	145	94 Å²	94	63%	0.63	42%	0.418	S	S	*	.	H	α-helix	trans	-78.6	-20.9	169.2	-60.5	171.4	-161.9	172.5	0	112.4	R1244 E1245 V1246	R1244-K1248 WeakPolarHBondContact O-CG 3.22Å; R1244-K1248 PolarHBondContact O-N 2.61Å; E1245-K1248 WeakPolarHBondContact O-CB 3.41Å; E1245-K1248 PolarHBondContact O-N 2.88Å; E1245-K1248 WeakPolarHBondContact OE1-CE 3.4Å; E1245-K1248 IonicContact OE1-NZ 3.58Å; E1245-K1248 PolarHBondContact OE1-NZ 2.92Å; E1245-K1248 WeakPolarHBondContact OE2-CD 3.44Å; E1245-K1248 VanDerWaalsContact OE2-CE 3.32Å; E1245-K1248 WeakPolarHBondContact OE2-CE 3.45Å; E1245-K1248 IonicContact OE2-NZ 2.71Å; E1245-K1248 PolarHBondContact OE2-NZ 2.99Å; V1246-K1248 PolarHBondContact O-N 2.98Å
1249	L	66.4	Low	67.5	Low	38 Å²	38	90.4 Å²	90.4	20%	0.199	40%	0.399	C	S	.	.	S	Bend	trans	-73.4	152.8	177.5	-59.6	175	0	0	0	111.4	V1246 L1251 Q1279	V1246-L1249 WeakPolarHBondContact O-CB 3.37Å; V1246-L1249 PolarHBondContact O-N 2.98Å; V1246-L1249 VanDerWaalsContact O-N 3.08Å; L1249-L1251 HydrophobicContact CB-CD2 4.07Å; L1249-L1251 HydrophobicContact CB-CG 4.12Å; L1249-L1251 PolarHBondContact O-N 2.91Å; L1249-Q1279 HydrophobicContact CD1-CG 4.21Å
1250	R	64.3	Low	68	Low	237 Å²	237	93 Å²	93	89%	0.894	41%	0.412	S	S	*	.			trans	-85.8	46.9	-172.4	-151.4	170.9	-171.6	161	0.4	113.1
1251	L	69.3	Low	68.6	Low	16 Å²	16	94.8 Å²	94.8	8%	0.084	42%	0.421	C	S	.	.			trans	-56.8	148.5	-173.8	-57.7	176.7	0	0	0	114.5	V1246 L1249 D1255 K1256 L1278 Y1282	V1246-L1251 HydrophobicContact CG1-CD1 3.77Å; V1246-L1251 WeakPolarHBondContact O-CD1 3.49Å; L1249-L1251 HydrophobicContact CB-CD2 4.07Å; L1249-L1251 HydrophobicContact CB-CG 4.12Å; L1249-L1251 PolarHBondContact O-N 2.91Å; L1251-D1255 HydrophobicContact CB-CB 4.23Å; L1251-D1255 HydrophobicContact CD2-CB 4.34Å; L1251-K1256 HydrophobicContact CB-CD 4.4Å; L1251-K1256 HydrophobicContact CB-CG 3.72Å; L1251-K1256 HydrophobicContact CD1-CG 4Å; L1251-L1278 HydrophobicContact CD2-CB 4.1Å; L1251-L1278 HydrophobicContact CD2-CD1 3.91Å; L1251-L1278 HydrophobicContact CD2-CD2 3.91Å; L1251-L1278 HydrophobicContact CD2-CG 4.2Å; L1251-Y1282 HydrophobicContact CD2-CD2 3.68Å; L1251-Y1282 HydrophobicContact CD2-CE2 3.76Å; L1251-Y1282 HydrophobicContact CD2-CG 4.48Å
1252	S	75.2	Confident	69.2	Low	43 Å²	43	90.5 Å²	90.5	30%	0.301	40%	0.403	S	S	.	.			trans	-71.7	167.7	172	81.4	0	0	0	0	112.9	Q1254 D1255 K1256	S1252-Q1254 PolarHBondContact O-N 3.08Å; S1252-Q1254 PolarHBondContact OG-N 3.47Å; S1252-D1255 VanDerWaalsContact CB-OD2 3.22Å; S1252-D1255 WeakPolarHBondContact CB-OD2 3.26Å; S1252-D1255 PolarHBondContact N-OD2 2.98Å; S1252-D1255 PolarHBondContact O-N 3.19Å; S1252-D1255 PolarHBondContact OG-N 3.2Å; S1252-D1255 VanDerWaalsContact OG-N 3.11Å; S1252-D1255 PolarHBondContact OG-OD2 2.63Å; S1252-K1256 WeakPolarHBondContact O-CG 3.23Å; S1252-K1256 PolarHBondContact O-N 2.78Å
1253	R	68.6	Low	69.6	Low	236 Å²	236	92.6 Å²	92.6	89%	0.891	40%	0.402	S	S	*	.	H	α-helix	trans	-62	-25.4	172.6	-83	-176.4	170.6	177.8	-3.5	113.3
1254	Q	72.2	Confident	69.6	Low	155 Å²	155	97 Å²	97	72%	0.724	42%	0.421	S	S	*	.	H	α-helix	trans	-81.1	-45.6	176.7	-73.1	176.2	-25.4	0	0	111	S1252 K1256 R1257 K1258	S1252-Q1254 PolarHBondContact O-N 3.08Å; S1252-Q1254 PolarHBondContact OG-N 3.47Å; Q1254-K1256 VanDerWaalsContact C-N 3.31Å; Q1254-K1256 PolarHBondContact O-N 2.87Å; Q1254-R1257 WeakPolarHBondContact O-CA 3.36Å; Q1254-R1257 WeakPolarHBondContact O-CB 3.05Å; Q1254-R1257 PolarHBondContact O-N 3.06Å; Q1254-K1258 PolarHBondContact O-N 3.19Å
1255	D	79.1	Confident	69.9	Low	14 Å²	14	95.1 Å²	95.1	8%	0.075	42%	0.418	C	S	.	.	H	α-helix	trans	-62.1	-40.3	178.4	-54	-52.1	0	0	0	111.2	L1251 S1252 R1257 K1258 V1259 L1278 Y1282	L1251-D1255 HydrophobicContact CB-CB 4.23Å; L1251-D1255 HydrophobicContact CD2-CB 4.34Å; S1252-D1255 VanDerWaalsContact CB-OD2 3.22Å; S1252-D1255 WeakPolarHBondContact CB-OD2 3.26Å; S1252-D1255 PolarHBondContact N-OD2 2.98Å; S1252-D1255 PolarHBondContact O-N 3.19Å; S1252-D1255 PolarHBondContact OG-N 3.2Å; S1252-D1255 VanDerWaalsContact OG-N 3.11Å; S1252-D1255 PolarHBondContact OG-OD2 2.63Å; D1255-R1257 VanDerWaalsContact C-N 3.29Å; D1255-R1257 PolarHBondContact O-N 2.8Å; D1255-K1258 PolarHBondContact O-N 2.76Å; D1255-K1258 VanDerWaalsContact O-N 3.16Å; D1255-V1259 WeakPolarHBondContact O-CG2 3.49Å; D1255-V1259 PolarHBondContact O-N 2.8Å; D1255-L1278 HydrophobicContact CB-CD1 4.39Å; D1255-L1278 HydrophobicContact CB-CD2 3.85Å; D1255-Y1282 PolarHBondContact OD2-OH 3.44Å
1256	K	73.3	Confident	69.5	Low	99 Å²	99	98 Å²	98	43%	0.43	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-32.8	173.5	-71.4	-171.6	179.8	-159.3	0	113.4	L1251 S1252 Q1254 F1260	L1251-K1256 HydrophobicContact CB-CD 4.4Å; L1251-K1256 HydrophobicContact CB-CG 3.72Å; L1251-K1256 HydrophobicContact CD1-CG 4Å; S1252-K1256 WeakPolarHBondContact O-CG 3.23Å; S1252-K1256 PolarHBondContact O-N 2.78Å; Q1254-K1256 VanDerWaalsContact C-N 3.31Å; Q1254-K1256 PolarHBondContact O-N 2.87Å; K1256-F1260 VanDerWaalsContact O-CB 3.22Å; K1256-F1260 WeakPolarHBondContact O-CB 3.24Å; K1256-F1260 PolarHBondContact O-N 2.93Å; K1256-F1260 VanDerWaalsContact O-N 3.15Å
1257	R	71.8	Confident	69.7	Low	188 Å²	188	101.5 Å²	101.5	71%	0.709	45%	0.446	S	S	*	.	H	α-helix	trans	-69.9	-44	171.3	-82.9	-178.4	169.9	177	-4.3	111.2	Q1254 D1255 V1259 F1260 N1261	Q1254-R1257 WeakPolarHBondContact O-CA 3.36Å; Q1254-R1257 WeakPolarHBondContact O-CB 3.05Å; Q1254-R1257 PolarHBondContact O-N 3.06Å; D1255-R1257 VanDerWaalsContact C-N 3.29Å; D1255-R1257 PolarHBondContact O-N 2.8Å; R1257-V1259 PolarHBondContact O-N 3.14Å; R1257-F1260 PolarHBondContact O-N 3.01Å; R1257-N1261 VanDerWaalsContact O-CB 3.3Å; R1257-N1261 WeakPolarHBondContact O-CB 3.39Å; R1257-N1261 PolarHBondContact O-N 2.86Å; R1257-N1261 PolarHBondContact O-OD1 2.99Å; R1257-N1261 VanDerWaalsContact O-OD1 3.07Å
1258	K	77.3	Confident	70	Confident	108 Å²	108	100 Å²	100	47%	0.47	44%	0.439	S	S	.	.	H	α-helix	trans	-57.7	-48	176.4	-68.3	-170	177.9	-171.7	0	112.7	Q1254 D1255 F1260 N1261 L1262 L1274	Q1254-K1258 PolarHBondContact O-N 3.19Å; D1255-K1258 PolarHBondContact O-N 2.76Å; D1255-K1258 VanDerWaalsContact O-N 3.16Å; K1258-F1260 VanDerWaalsContact C-N 3.34Å; K1258-F1260 PolarHBondContact O-N 2.91Å; K1258-N1261 PolarHBondContact O-N 2.94Å; K1258-L1262 WeakPolarHBondContact O-CB 3.3Å; K1258-L1262 WeakPolarHBondContact O-CG 3.22Å; K1258-L1262 PolarHBondContact O-N 3.05Å; K1258-L1274 HydrophobicContact CB-CD1 3.84Å; K1258-L1274 HydrophobicContact CB-CD2 4.07Å; K1258-L1274 HydrophobicContact CD-CD1 3.64Å; K1258-L1274 HydrophobicContact CG-CD1 4.4Å
1259	V	77.3	Confident	70.5	Confident	7 Å²	7	100.9 Å²	100.9	4%	0.042	45%	0.445	C	S	.	.	H	α-helix	trans	-60	-44	176	176.8	0	0	0	0	111.2	V1246 D1255 R1257 Y1263 L1274 L1278	V1246-V1259 HydrophobicContact CG1-CG1 4.42Å; V1246-V1259 HydrophobicContact CG1-CG2 3.96Å; D1255-V1259 WeakPolarHBondContact O-CG2 3.49Å; D1255-V1259 PolarHBondContact O-N 2.8Å; R1257-V1259 PolarHBondContact O-N 3.14Å; V1259-Y1263 WeakPolarHBondContact O-CB 3.48Å; V1259-Y1263 PolarHBondContact O-N 3.41Å; V1259-L1274 HydrophobicContact CB-CD2 4.38Å; V1259-L1274 HydrophobicContact CG2-CD2 3.49Å; V1259-L1274 VanDerWaalsContact CG2-CD2 3.49Å; V1259-L1278 HydrophobicContact CG2-CD1 3.53Å
1260	F	70.4	Confident	70.9	Confident	126 Å²	126	104.1 Å²	104.1	55%	0.553	46%	0.457	S	S	*	.	H	α-helix	trans	-70	-38.5	-178	-172.9	-95.4	0	0	0	113.1	K1256 R1257 K1258 H1264	K1256-F1260 VanDerWaalsContact O-CB 3.22Å; K1256-F1260 WeakPolarHBondContact O-CB 3.24Å; K1256-F1260 PolarHBondContact O-N 2.93Å; K1256-F1260 VanDerWaalsContact O-N 3.15Å; R1257-F1260 PolarHBondContact O-N 3.01Å; K1258-F1260 VanDerWaalsContact C-N 3.34Å; K1258-F1260 PolarHBondContact O-N 2.91Å; F1260-H1264 AromaticContact CD1-CD2 3.96Å; F1260-H1264 AromaticContact CE1-CD2 3.54Å; F1260-H1264 AromaticContact CE1-NE2 3.83Å; F1260-H1264 AromaticContact CE2-CD2 3.89Å; F1260-H1264 AromaticContact CE2-NE2 3.69Å; F1260-H1264 AromaticContact CZ-CD2 3.5Å; F1260-H1264 VanDerWaalsContact CZ-CD2 3.5Å; F1260-H1264 WeakPolarHBondContact CZ-CD2 3.33Å; F1260-H1264 AromaticContact CZ-NE2 3.31Å; F1260-H1264 VanDerWaalsContact CZ-NE2 3.31Å; F1260-H1264 WeakPolarHBondContact CZ-NE2 3.29Å; F1260-H1264 PolarHBondContact O-CD2 3.46Å; F1260-H1264 PolarHBondContact O-N 2.87Å
1261	N	72.2	Confident	71.5	Confident	72 Å²	72	93.5 Å²	93.5	39%	0.385	42%	0.418	S	S	.	.	H	α-helix	trans	-61.9	-57.7	173.4	-88.8	67.1	0	0	0	110.8	R1257 K1258 Y1263 H1264 E1265	R1257-N1261 VanDerWaalsContact O-CB 3.3Å; R1257-N1261 WeakPolarHBondContact O-CB 3.39Å; R1257-N1261 PolarHBondContact O-N 2.86Å; R1257-N1261 PolarHBondContact O-OD1 2.99Å; R1257-N1261 VanDerWaalsContact O-OD1 3.07Å; K1258-N1261 PolarHBondContact O-N 2.94Å; N1261-Y1263 PolarHBondContact O-N 3.08Å; N1261-H1264 CarbonylContact O-C 3.54Å; N1261-H1264 WeakPolarHBondContact O-CA 3.47Å; N1261-H1264 PolarHBondContact O-N 3.32Å; N1261-E1265 PolarHBondContact ND2-OE1 3.01Å; N1261-E1265 WeakPolarHBondContact O-CB 3.48Å; N1261-E1265 VanDerWaalsContact O-CG 3.26Å; N1261-E1265 WeakPolarHBondContact O-CG 3.46Å; N1261-E1265 PolarHBondContact O-N 3.28Å
1262	L	75	Confident	71.7	Confident	20 Å²	20	99.6 Å²	99.6	11%	0.105	45%	0.446	C	S	.	.	H	α-helix	trans	-60.2	-33.2	-178.8	-68	170.2	0	0	0	112.8	K1258 H1264 E1265 F1266 E1267 K1270 L1271 L1274	K1258-L1262 WeakPolarHBondContact O-CB 3.3Å; K1258-L1262 WeakPolarHBondContact O-CG 3.22Å; K1258-L1262 PolarHBondContact O-N 3.05Å; L1262-H1264 VanDerWaalsContact C-N 3.33Å; L1262-H1264 PolarHBondContact O-N 3.45Å; L1262-E1265 PolarHBondContact O-N 3.22Å; L1262-F1266 PolarHBondContact O-N 3.11Å; L1262-E1267 HydrophobicContact CD2-CB 4.12Å; L1262-E1267 WeakPolarHBondContact CD2-OE2 3.49Å; L1262-K1270 HydrophobicContact CD1-CB 4.37Å; L1262-K1270 HydrophobicContact CD2-CB 3.91Å; L1262-L1271 HydrophobicContact CB-CB 4.36Å; L1262-L1271 HydrophobicContact CB-CD1 3.82Å; L1262-L1274 HydrophobicContact CD1-CB 4.06Å; L1262-L1274 HydrophobicContact CD1-CD1 4.18Å; L1262-L1274 HydrophobicContact CD1-CD2 4.2Å; L1262-L1274 HydrophobicContact CD1-CG 4.37Å
1263	Y	69.2	Low	71.9	Confident	88 Å²	88	103.6 Å²	103.6	35%	0.345	46%	0.464	S	S	.	.	H	α-helix	trans	-66.6	-29	172.9	-178.1	-99.4	0	0	0	113.8	V1243 V1259 N1261	V1243-Y1263 HydrophobicContact CG2-CD2 3.81Å; V1243-Y1263 HydrophobicContact CG2-CE2 4.17Å; V1259-Y1263 WeakPolarHBondContact O-CB 3.48Å; V1259-Y1263 PolarHBondContact O-N 3.41Å; N1261-Y1263 PolarHBondContact O-N 3.08Å
1264	H	65.4	Low	72.4	Confident	114 Å²	114	93.2 Å²	93.2	53%	0.528	43%	0.426	S	S	.	.	H	α-helix	trans	-93.3	-19.3	174.5	-86.5	-70.1	0	0	0	113.8	F1260 N1261 L1262	F1260-H1264 AromaticContact CD1-CD2 3.96Å; F1260-H1264 AromaticContact CE1-CD2 3.54Å; F1260-H1264 AromaticContact CE1-NE2 3.83Å; F1260-H1264 AromaticContact CE2-CD2 3.89Å; F1260-H1264 AromaticContact CE2-NE2 3.69Å; F1260-H1264 AromaticContact CZ-CD2 3.5Å; F1260-H1264 VanDerWaalsContact CZ-CD2 3.5Å; F1260-H1264 WeakPolarHBondContact CZ-CD2 3.33Å; F1260-H1264 AromaticContact CZ-NE2 3.31Å; F1260-H1264 VanDerWaalsContact CZ-NE2 3.31Å; F1260-H1264 WeakPolarHBondContact CZ-NE2 3.29Å; F1260-H1264 PolarHBondContact O-CD2 3.46Å; F1260-H1264 PolarHBondContact O-N 2.87Å; N1261-H1264 CarbonylContact O-C 3.54Å; N1261-H1264 WeakPolarHBondContact O-CA 3.47Å; N1261-H1264 PolarHBondContact O-N 3.32Å; L1262-H1264 VanDerWaalsContact C-N 3.33Å; L1262-H1264 PolarHBondContact O-N 3.45Å
1265	E	69.5	Low	72.6	Confident	100 Å²	100	86.7 Å²	86.7	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-90.4	-3.6	-178.6	-70.9	156.5	-177.1	0	0	112.6	N1261 L1262 E1267	N1261-E1265 PolarHBondContact ND2-OE1 3.01Å; N1261-E1265 WeakPolarHBondContact O-CB 3.48Å; N1261-E1265 VanDerWaalsContact O-CG 3.26Å; N1261-E1265 WeakPolarHBondContact O-CG 3.46Å; N1261-E1265 PolarHBondContact O-N 3.28Å; L1262-E1265 PolarHBondContact O-N 3.22Å; E1265-E1267 VanDerWaalsContact C-N 3.26Å; E1265-E1267 HydrophobicContact CB-CG 4.28Å; E1265-E1267 PolarHBondContact O-N 3.24Å
1266	F	54.9	Low	72.6	Confident	152 Å²	152	88.1 Å²	88.1	67%	0.667	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	20.1	178	-72.5	-99.3	0	0	0	115.6	L1262 D1268	L1262-F1266 PolarHBondContact O-N 3.11Å; F1266-D1268 PolarHBondContact O-N 3.39Å
1267	E	70.3	Confident	72.8	Confident	73 Å²	73	87.5 Å²	87.5	34%	0.341	41%	0.409	S	S	.	.			trans	-89	75.3	-177.5	-56.9	-164.1	129.6	0	0	112.6	L1262 E1265 E1269 K1270 L1271	L1262-E1267 HydrophobicContact CD2-CB 4.12Å; L1262-E1267 WeakPolarHBondContact CD2-OE2 3.49Å; E1265-E1267 VanDerWaalsContact C-N 3.26Å; E1265-E1267 HydrophobicContact CB-CG 4.28Å; E1265-E1267 PolarHBondContact O-N 3.24Å; E1267-E1269 PolarHBondContact O-N 3.49Å; E1267-K1270 HydrophobicContact CB-CB 4.24Å; E1267-K1270 PolarHBondContact O-N 3.05Å; E1267-K1270 WeakPolarHBondContact OE1-CE 3.42Å; E1267-K1270 IonicContact OE1-NZ 2.7Å; E1267-K1270 PolarHBondContact OE1-NZ 3.22Å; E1267-K1270 VanDerWaalsContact OE2-CD 3.29Å; E1267-K1270 WeakPolarHBondContact OE2-CD 3.48Å; E1267-K1270 VanDerWaalsContact OE2-CE 3.24Å; E1267-K1270 WeakPolarHBondContact OE2-CE 3.2Å; E1267-K1270 IonicContact OE2-NZ 3.61Å; E1267-K1270 PolarHBondContact OE2-NZ 2.97Å; E1267-L1271 PolarHBondContact O-N 3.33Å
1268	D	66.1	Low	73.1	Confident	70 Å²	70	78.6 Å²	78.6	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-55.8	-47.6	-172.4	-75.4	-46.2	0	0	0	114.3	R1239 F1266 K1270 L1271 E1272	R1239-D1268 IonicContact CZ-OD1 3.91Å; R1239-D1268 IonicContact CZ-OD2 3.61Å; R1239-D1268 IonicContact NE-OD1 3.32Å; R1239-D1268 PolarHBondContact NE-OD1 3.04Å; R1239-D1268 IonicContact NE-OD2 2.85Å; R1239-D1268 IonicContact NH2-OD1 3.54Å; R1239-D1268 PolarHBondContact NH2-OD1 3.41Å; R1239-D1268 IonicContact NH2-OD2 3.72Å; R1239-D1268 PolarHBondContact NH2-OD2 2.8Å; F1266-D1268 PolarHBondContact O-N 3.39Å; D1268-K1270 VanDerWaalsContact C-N 3.25Å; D1268-K1270 PolarHBondContact O-N 3.13Å; D1268-L1271 CarbonylContact O-C 3.54Å; D1268-L1271 WeakPolarHBondContact O-CA 3.12Å; D1268-L1271 WeakPolarHBondContact O-CB 3.3Å; D1268-L1271 PolarHBondContact O-N 3.01Å; D1268-E1272 PolarHBondContact O-N 3.5Å
1269	E	73.7	Confident	72.7	Confident	162 Å²	162	78.2 Å²	78.2	76%	0.757	38%	0.375	S	S	*	.	H	α-helix	trans	-56.8	-40.5	179.6	-61.7	-175.4	150.2	0	0	112.2	E1267 L1273	E1267-E1269 PolarHBondContact O-N 3.49Å; E1269-L1273 WeakPolarHBondContact O-CB 3.4Å; E1269-L1273 WeakPolarHBondContact O-CD1 3.3Å; E1269-L1273 VanDerWaalsContact O-CG 3.26Å; E1269-L1273 WeakPolarHBondContact O-CG 3.27Å; E1269-L1273 PolarHBondContact O-N 3.06Å
1270	K	74.5	Confident	72.5	Confident	106 Å²	106	84.6 Å²	84.6	46%	0.461	41%	0.409	S	S	.	.	H	α-helix	trans	-76.4	-31.7	178.5	-60.9	-169.4	-138.8	159.4	0	111.6	L1262 E1267 D1268 L1274	L1262-K1270 HydrophobicContact CD1-CB 4.37Å; L1262-K1270 HydrophobicContact CD2-CB 3.91Å; E1267-K1270 HydrophobicContact CB-CB 4.24Å; E1267-K1270 PolarHBondContact O-N 3.05Å; E1267-K1270 WeakPolarHBondContact OE1-CE 3.42Å; E1267-K1270 IonicContact OE1-NZ 2.7Å; E1267-K1270 PolarHBondContact OE1-NZ 3.22Å; E1267-K1270 VanDerWaalsContact OE2-CD 3.29Å; E1267-K1270 WeakPolarHBondContact OE2-CD 3.48Å; E1267-K1270 VanDerWaalsContact OE2-CE 3.24Å; E1267-K1270 WeakPolarHBondContact OE2-CE 3.2Å; E1267-K1270 IonicContact OE2-NZ 3.61Å; E1267-K1270 PolarHBondContact OE2-NZ 2.97Å; D1268-K1270 VanDerWaalsContact C-N 3.25Å; D1268-K1270 PolarHBondContact O-N 3.13Å; K1270-L1274 WeakPolarHBondContact O-CB 3.42Å; K1270-L1274 PolarHBondContact O-N 3.18Å
1271	L	75.9	Confident	72.6	Confident	14 Å²	14	83.9 Å²	83.9	7%	0.073	41%	0.406	C	S	.	.	H	α-helix	trans	-63.1	-48.1	171.4	-171.8	70.6	0	0	0	110.3	L1262 E1267 D1268 L1274 V1275	L1262-L1271 HydrophobicContact CB-CB 4.36Å; L1262-L1271 HydrophobicContact CB-CD1 3.82Å; E1267-L1271 PolarHBondContact O-N 3.33Å; D1268-L1271 CarbonylContact O-C 3.54Å; D1268-L1271 WeakPolarHBondContact O-CA 3.12Å; D1268-L1271 WeakPolarHBondContact O-CB 3.3Å; D1268-L1271 PolarHBondContact O-N 3.01Å; L1271-L1274 PolarHBondContact O-N 2.9Å; L1271-V1275 HydrophobicContact CG-CG2 4.48Å; L1271-V1275 WeakPolarHBondContact O-CB 3.45Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.28Å; L1271-V1275 PolarHBondContact O-N 3.27Å
1272	E	73.7	Confident	72.4	Confident	145 Å²	145	83.9 Å²	83.9	68%	0.678	40%	0.401	S	S	*	.	H	α-helix	trans	-64	-46.1	178.4	-69.2	-163.4	156.2	0	0	112.5	D1268 L1274 V1275 A1276	D1268-E1272 PolarHBondContact O-N 3.5Å; E1272-L1274 VanDerWaalsContact C-N 3.31Å; E1272-L1274 PolarHBondContact O-N 3.17Å; E1272-V1275 PolarHBondContact O-N 2.78Å; E1272-A1276 WeakPolarHBondContact O-CB 3.38Å; E1272-A1276 PolarHBondContact O-N 3.49Å
1273	L	78.8	Confident	71.2	Confident	127 Å²	127	85.3 Å²	85.3	67%	0.665	42%	0.421	S	S	*	.	H	α-helix	trans	-57.3	-43.4	174.2	-76.7	167.8	0	0	0	112	E1269 A1276 E1277	E1269-L1273 WeakPolarHBondContact O-CB 3.4Å; E1269-L1273 WeakPolarHBondContact O-CD1 3.3Å; E1269-L1273 VanDerWaalsContact O-CG 3.26Å; E1269-L1273 WeakPolarHBondContact O-CG 3.27Å; E1269-L1273 PolarHBondContact O-N 3.06Å; L1273-A1276 PolarHBondContact O-N 3.13Å; L1273-E1277 PolarHBondContact O-N 3.03Å
1274	L	79.5	Confident	70.2	Confident	17 Å²	17	88.3 Å²	88.3	9%	0.089	44%	0.443	C	S	.	.	H	α-helix	trans	-71.7	-36.7	178.2	-170.8	117.2	0	0	0	112.1	K1258 V1259 L1262 K1270 L1271 E1272 A1276 E1277 L1278	K1258-L1274 HydrophobicContact CB-CD1 3.84Å; K1258-L1274 HydrophobicContact CB-CD2 4.07Å; K1258-L1274 HydrophobicContact CD-CD1 3.64Å; K1258-L1274 HydrophobicContact CG-CD1 4.4Å; V1259-L1274 HydrophobicContact CB-CD2 4.38Å; V1259-L1274 HydrophobicContact CG2-CD2 3.49Å; V1259-L1274 VanDerWaalsContact CG2-CD2 3.49Å; L1262-L1274 HydrophobicContact CD1-CB 4.06Å; L1262-L1274 HydrophobicContact CD1-CD1 4.18Å; L1262-L1274 HydrophobicContact CD1-CD2 4.2Å; L1262-L1274 HydrophobicContact CD1-CG 4.37Å; K1270-L1274 WeakPolarHBondContact O-CB 3.42Å; K1270-L1274 PolarHBondContact O-N 3.18Å; L1271-L1274 PolarHBondContact O-N 2.9Å; E1272-L1274 VanDerWaalsContact C-N 3.31Å; E1272-L1274 PolarHBondContact O-N 3.17Å; L1274-A1276 VanDerWaalsContact C-N 3.33Å; L1274-E1277 PolarHBondContact O-N 3.33Å; L1274-L1278 HydrophobicContact CD2-CD1 3.61Å; L1274-L1278 HydrophobicContact CD2-CG 4.42Å; L1274-L1278 HydrophobicContact CG-CD1 4.09Å; L1274-L1278 HydrophobicContact CG-CG 4.38Å; L1274-L1278 WeakPolarHBondContact O-CB 3.44Å; L1274-L1278 WeakPolarHBondContact O-CG 3.31Å; L1274-L1278 PolarHBondContact O-N 2.8Å
1275	V	76.6	Confident	68.8	Low	18 Å²	18	91.3 Å²	91.3	11%	0.109	46%	0.46	C	S	.	.	H	α-helix	trans	-59.8	-44.8	172.2	163	0	0	0	0	110.2	V1246 L1271 E1272 L1278 Q1279	V1246-V1275 HydrophobicContact CG2-CB 4.21Å; V1246-V1275 HydrophobicContact CG2-CG1 3.73Å; V1246-V1275 HydrophobicContact CG2-CG2 3.82Å; L1271-V1275 HydrophobicContact CG-CG2 4.48Å; L1271-V1275 WeakPolarHBondContact O-CB 3.45Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.28Å; L1271-V1275 PolarHBondContact O-N 3.27Å; E1272-V1275 PolarHBondContact O-N 2.78Å; V1275-L1278 PolarHBondContact O-N 3.05Å; V1275-Q1279 WeakPolarHBondContact O-CB 3.39Å; V1275-Q1279 VanDerWaalsContact O-CG 3.31Å; V1275-Q1279 WeakPolarHBondContact O-CG 3.3Å; V1275-Q1279 PolarHBondContact O-N 2.9Å
1276	A	78.5	Confident	67.1	Low	44 Å²	44	89.5 Å²	89.5	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-67.2	-40.4	176.1	0	0	0	0	0	113.1	E1272 L1273 L1274 N1280	E1272-A1276 WeakPolarHBondContact O-CB 3.38Å; E1272-A1276 PolarHBondContact O-N 3.49Å; L1273-A1276 PolarHBondContact O-N 3.13Å; L1274-A1276 VanDerWaalsContact C-N 3.33Å; A1276-N1280 PolarHBondContact O-N 2.91Å; A1276-N1280 VanDerWaalsContact O-N 3.12Å; A1276-N1280 PolarHBondContact O-ND2 3.44Å
1277	E	78.5	Confident	66	Low	87 Å²	87	91.2 Å²	91.2	41%	0.407	48%	0.479	S	S	.	.	H	α-helix	trans	-59.2	-48.4	172.8	-164.8	-150.5	136.8	0	0	110.2	L1273 L1274 N1280 K1281	L1273-E1277 PolarHBondContact O-N 3.03Å; L1274-E1277 PolarHBondContact O-N 3.33Å; E1277-N1280 PolarHBondContact O-N 3Å; E1277-K1281 WeakPolarHBondContact O-CB 3.46Å; E1277-K1281 PolarHBondContact O-N 3.38Å; E1277-K1281 IonicContact OE1-NZ 2.77Å; E1277-K1281 PolarHBondContact OE1-NZ 2.84Å
1278	L	77.8	Confident	64.1	Low	1 Å²	1	97 Å²	97	1%	0.005	51%	0.505	C	S	.	.	H	α-helix	trans	-69.5	-35	-177.1	-66.9	176.2	0	0	0	113	V1246 L1251 D1255 V1259 L1274 V1275 K1281 Y1282	V1246-L1278 HydrophobicContact CG1-CD1 4.33Å; L1251-L1278 HydrophobicContact CD2-CB 4.1Å; L1251-L1278 HydrophobicContact CD2-CD1 3.91Å; L1251-L1278 HydrophobicContact CD2-CD2 3.91Å; L1251-L1278 HydrophobicContact CD2-CG 4.2Å; D1255-L1278 HydrophobicContact CB-CD1 4.39Å; D1255-L1278 HydrophobicContact CB-CD2 3.85Å; V1259-L1278 HydrophobicContact CG2-CD1 3.53Å; L1274-L1278 HydrophobicContact CD2-CD1 3.61Å; L1274-L1278 HydrophobicContact CD2-CG 4.42Å; L1274-L1278 HydrophobicContact CG-CD1 4.09Å; L1274-L1278 HydrophobicContact CG-CG 4.38Å; L1274-L1278 WeakPolarHBondContact O-CB 3.44Å; L1274-L1278 WeakPolarHBondContact O-CG 3.31Å; L1274-L1278 PolarHBondContact O-N 2.8Å; V1275-L1278 PolarHBondContact O-N 3.05Å; L1278-K1281 HydrophobicContact CD2-CD 4.32Å; L1278-K1281 PolarHBondContact O-N 2.87Å; L1278-Y1282 HydrophobicContact CD2-CD2 4.16Å; L1278-Y1282 HydrophobicContact CD2-CE2 3.78Å; L1278-Y1282 WeakPolarHBondContact O-CB 3.43Å; L1278-Y1282 WeakPolarHBondContact O-CD2 3.37Å; L1278-Y1282 PolarHBondContact O-N 3.3Å
1279	Q	69.7	Low	62.2	Low	99 Å²	99	103.3 Å²	103.3	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-46.7	171.9	-76.2	178.9	11.9	0	0	111.4	L1249 V1275 K1281 G1283	L1249-Q1279 HydrophobicContact CD1-CG 4.21Å; V1275-Q1279 WeakPolarHBondContact O-CB 3.39Å; V1275-Q1279 VanDerWaalsContact O-CG 3.31Å; V1275-Q1279 WeakPolarHBondContact O-CG 3.3Å; V1275-Q1279 PolarHBondContact O-N 2.9Å; Q1279-K1281 VanDerWaalsContact C-N 3.33Å; Q1279-K1281 PolarHBondContact O-N 3.23Å; Q1279-G1283 VanDerWaalsContact O-CA 3.29Å; Q1279-G1283 WeakPolarHBondContact O-CA 3.39Å; Q1279-G1283 PolarHBondContact O-N 3.49Å
1280	N	72	Confident	60.3	Low	142 Å²	142	100.8 Å²	100.8	76%	0.759	53%	0.527	S	S	*	.	H	α-helix	trans	-63	-38	175.6	-78.7	-60.7	0	0	0	112.8	A1276 E1277	A1276-N1280 PolarHBondContact O-N 2.91Å; A1276-N1280 VanDerWaalsContact O-N 3.12Å; A1276-N1280 PolarHBondContact O-ND2 3.44Å; E1277-N1280 PolarHBondContact O-N 3Å
1281	K	72.4	Confident	58.1	Low	110 Å²	110	105.5 Å²	105.5	48%	0.478	55%	0.548	S	S	.	.	H	α-helix	trans	-76.3	-25.3	-175.8	-166.2	176.9	-162	167.1	0	114.3	E1277 L1278 Q1279	E1277-K1281 WeakPolarHBondContact O-CB 3.46Å; E1277-K1281 PolarHBondContact O-N 3.38Å; E1277-K1281 IonicContact OE1-NZ 2.77Å; E1277-K1281 PolarHBondContact OE1-NZ 2.84Å; L1278-K1281 HydrophobicContact CD2-CD 4.32Å; L1278-K1281 PolarHBondContact O-N 2.87Å; Q1279-K1281 VanDerWaalsContact C-N 3.33Å; Q1279-K1281 PolarHBondContact O-N 3.23Å
1282	Y	68	Low	55.8	Low	73 Å²	73	108.9 Å²	108.9	29%	0.286	58%	0.578	S	S	.	*	H	α-helix	trans	-125.8	-0.3	-175.4	-65.1	-75.6	0	0	0	115	L1251 D1255 L1278 N1284	L1251-Y1282 HydrophobicContact CD2-CD2 3.68Å; L1251-Y1282 HydrophobicContact CD2-CE2 3.76Å; L1251-Y1282 HydrophobicContact CD2-CG 4.48Å; D1255-Y1282 PolarHBondContact OD2-OH 3.44Å; L1278-Y1282 HydrophobicContact CD2-CD2 4.16Å; L1278-Y1282 HydrophobicContact CD2-CE2 3.78Å; L1278-Y1282 WeakPolarHBondContact O-CB 3.43Å; L1278-Y1282 WeakPolarHBondContact O-CD2 3.37Å; L1278-Y1282 PolarHBondContact O-N 3.3Å; Y1282-N1284 VanDerWaalsContact C-N 3.28Å; Y1282-N1284 PolarHBondContact O-N 2.94Å
1283	G	51.3	Low	53.5	Low	50 Å²	50	113.4 Å²	113.4	52%	0.515	59%	0.589	S	S	.	*			trans	-71	-8.8	-173.6	0	0	0	0	0	116.8	Q1279	Q1279-G1283 VanDerWaalsContact O-CA 3.29Å; Q1279-G1283 WeakPolarHBondContact O-CA 3.39Å; Q1279-G1283 PolarHBondContact O-N 3.49Å
1284	N	46.4	Very low	51.2	Low	151 Å²	151	113.3 Å²	113.3	81%	0.807	60%	0.596	S	S	*	*			trans	-118.7	101.3	-178.5	-85.2	-52.5	0	0	0	112.3	Y1282	Y1282-N1284 VanDerWaalsContact C-N 3.28Å; Y1282-N1284 PolarHBondContact O-N 2.94Å
1285	I	37.1	Very low	48.6	Very low	176 Å²	176	118.1 Å²	118.1	90%	0.903	63%	0.629	S	S	*	*			trans	-175.1	118.9	146.6	-94.9	147.3	0	0	0	108
1286	G	32.5	Very low	46.2	Very low	63 Å²	63	125.6 Å²	125.6	65%	0.649	67%	0.668	S	S	*	*			trans	-103.4	161.1	-175.2	0	0	0	0	0	115.1
1287	H	32	Very low	43.7	Very low	187 Å²	187	128 Å²	128	87%	0.866	68%	0.682	S	S	*	*			trans	46.4	103.7	158.9	-59.9	-83.2	0	0	0	119.8
1288	Q	30.3	Very low	41.3	Very low	194 Å²	194	133.4 Å²	133.4	91%	0.907	70%	0.704	S	S	*	*				-173.4	155.6	101.9	-95.3	173.5	29.2	0	0	112.2
1289	K	27.5	Very low	39	Very low	203 Å²	203	144.5 Å²	144.5	88%	0.883	75%	0.746	S	S	*	*			trans	-143.8	178	-179.4	-68.6	-178.1	172.9	176.1	0	108.3
1290	P	34.1	Very low	37	Very low	109 Å²	109	147.7 Å²	147.7	71%	0.708	76%	0.763	S	S	*	*				-132.2	-177.9	-65	40.6	-25.3	0	0	0	112
1291	K	28.3	Very low	35.1	Very low	206 Å²	206	145.5 Å²	145.5	90%	0.896	76%	0.759	S	S	*	*			trans	175.9	118.9	132.9	-96.9	159.3	-175.5	179.8	0	116.5
1292	A	26.8	Very low	33.2	Very low	85 Å²	85	144.5 Å²	144.5	70%	0.702	77%	0.77	S	S	*	*			trans	17	128.8	146.3	0	0	0	0	0	125.6
1293	R	26.4	Very low	31.4	Very low	240 Å²	240	145.1 Å²	145.1	91%	0.906	79%	0.785	S	S	*	*				64.4	161.2	128.3	-68.2	-175.4	-178.8	-168.9	1.1	120.5
1294	P	30.1	Very low	30.4	Very low	124 Å²	124	146.1 Å²	146.1	81%	0.805	78%	0.782	S	S	*	*			cis	-126.5	-166.1	-14.9	35.2	-15.1	0	0	0	114
1295	C	24.9	Very low	29.5	Very low	118 Å²	118	146.5 Å²	146.5	80%	0.797	78%	0.776	S	S	*	*			trans	-68.4	148.2	-172.1	-39.2	0	0	0	0	116.7
1296	L	25	Very low	29	Very low	176 Å²	176	149.2 Å²	149.2	92%	0.921	78%	0.775	S	S	*	*			trans	-172.7	175.4	136.3	-106.1	161	0	0	0	112.3
1297	S	27.8	Very low	28.7	Very low	93 Å²	93	150.1 Å²	150.1	65%	0.65	78%	0.776	S	S	*	*			trans	-121.2	155.1	-162.6	60	0	0	0	0	115.6
1298	K	26.6	Very low	28.5	Very low	201 Å²	201	153 Å²	153	87%	0.874	78%	0.779	S	S	*	*			trans	171	110.7	133.3	-94	161.6	-175.1	176.8	0	116.3
1299	R	29.3	Very low	28.3	Very low	235 Å²	235	148.8 Å²	148.8	89%	0.887	77%	0.772	S	S	*	*				25.7	147.4	119.2	-153	-177.9	-162.2	-175	6.6	122.1
1300	M	29.1	Very low	28.1	Very low	166 Å²	166	143.7 Å²	143.7	82%	0.818	76%	0.761	S	S	*	*			trans	123.3	153.2	147	-71.4	-175.3	68	0	0	115.8
1301	S	31.4	Very low	27.7	Very low	96 Å²	96	149.7 Å²	149.7	67%	0.671	77%	0.77	S	S	*	*			cis	174.4	147.8	-29.3	59.3	0	0	0	0	112
1302	A	32.4	Very low	27.6	Very low	88 Å²	88	146.3 Å²	146.3	73%	0.727	77%	0.767	S	S	*	*			trans	-164.7	115.9	160.5	0	0	0	0	0	119.2
1303	S	29.7	Very low	27.7	Very low	86 Å²	86	148.1 Å²	148.1	60%	0.601	77%	0.769	S	S	*	*				71.5	113.4	124.1	-61.7	0	0	0	0	127.4	H255	H255-S1303 PolarHBondContact CE1-O 3.07Å
1304	V	30	Very low	28.1	Very low	72 Å²	72	141.6 Å²	141.6	44%	0.436	76%	0.757	S	S	.	*				116.5	109.2	106	160.4	0	0	0	0	124.3
1305	K	28.2	Very low	27.8	Very low	158 Å²	158	144.6 Å²	144.6	69%	0.687	76%	0.758	S	S	*	*			trans	95.5	112.5	137.4	-85.1	168	-161.1	162.1	0	125
1306	R	26	Very low	28.1	Very low	234 Å²	234	149.4 Å²	149.4	88%	0.883	76%	0.759	S	S	*	*				68.7	151.1	129	-70.5	-177.9	175	179	-1.6	121
1307	A	27.8	Very low	28.6	Very low	82 Å²	82	145.5 Å²	145.5	68%	0.678	75%	0.745	S	S	*	*			cis	-175	152.1	-20.8	0	0	0	0	0	114.5
1308	R	26.2	Very low	28.6	Very low	246 Å²	246	149.5 Å²	149.5	93%	0.928	75%	0.746	S	S	*	*			trans	61.5	114.7	141.4	-82.4	-176.7	175.2	-173.2	-2.1	122
1309	S	25.7	Very low	28.7	Very low	107 Å²	107	146.3 Å²	146.3	75%	0.748	73%	0.734	S	S	*	*				141.7	140.9	94.4	-163.1	0	0	0	0	118.1
1310	S	25.2	Very low	28.7	Very low	95 Å²	95	145.7 Å²	145.7	66%	0.664	73%	0.732	S	S	*	*			trans	56.3	106.4	143.9	54.7	0	0	0	0	123.1
1311	R	25.6	Very low	28.6	Very low	235 Å²	235	141.8 Å²	141.8	89%	0.887	72%	0.715	S	S	*	*				40	118	97.9	179.3	-158.9	-92.3	-174.7	-6.7	117.1
1312	V	25.2	Very low	28.6	Very low	136 Å²	136	140.3 Å²	140.3	82%	0.824	71%	0.709	S	S	*	*				-163.8	153.1	124.7	134.1	0	0	0	0	111.7
1313	T	28.6	Very low	28.3	Very low	123 Å²	123	143.9 Å²	143.9	76%	0.755	71%	0.708	S	S	*	*			trans	-110.5	-156.8	-174.9	51.4	0	0	0	0	111.4
1314	P	34.1	Very low	28.2	Very low	102 Å²	102	143 Å²	143	66%	0.662	71%	0.712	S	S	*	*				-121.6	-170.1	-101.4	41.2	-24.1	0	0	0	113.1
1315	K	25.2	Very low	28.2	Very low	188 Å²	188	147.9 Å²	147.9	82%	0.817	73%	0.727	S	S	*	*			trans	169.8	135.7	139.4	-87	144.7	-163.8	175.1	0	108.9
1316	R	30.5	Very low	28.1	Very low	219 Å²	219	145 Å²	145	83%	0.826	73%	0.727	S	S	*	*				68.6	150.4	56.1	-82.1	-161.1	176.8	-173.2	0.9	113.6
1317	P	35.1	Very low	28.1	Very low	94 Å²	94	138.6 Å²	138.6	61%	0.61	72%	0.718	S	S	*	*			cis	-154	-179.9	-30.9	42.7	-24.1	0	0	0	117.9
1318	Y	28.8	Very low	28.1	Very low	176 Å²	176	140.1 Å²	140.1	69%	0.69	72%	0.719	S	S	*	*			trans	79.4	147.1	133.6	-83.2	-42.9	0	0	0	126.7
1319	H	29.2	Very low	28.1	Very low	134 Å²	134	139 Å²	139	62%	0.62	72%	0.717	S	S	*	*			trans	83.9	148.3	147.8	-68.6	-27.9	0	0	0	119.2
1320	R	27.7	Very low	28.2	Very low	222 Å²	222	142 Å²	142	84%	0.838	72%	0.718	S	S	*	*			cis	-157.1	132.8	10.9	-135.8	172.4	-168.9	-175.2	2.5	116.7
1321	N	28.9	Very low	28.2	Very low	84 Å²	84	143.6 Å²	143.6	45%	0.449	72%	0.724	S	S	.	*			trans	12.1	121.3	144.3	-59.9	28.8	0	0	0	125.6	N371	N371-N1321 PolarHBondContact ND2-ND2 3.26Å
1322	A	30.1	Very low	28.4	Very low	66 Å²	66	137.4 Å²	137.4	55%	0.545	71%	0.712	S	S	.	*				79.8	163.2	100.9	0	0	0	0	0	126.3	N371	N371-A1322 HydrophobicContact CB-CB 4.03Å; N371-A1322 WeakPolarHBondContact ND2-CB 3.38Å
1323	F	26	Very low	28.6	Very low	163 Å²	163	137.6 Å²	137.6	72%	0.715	71%	0.708	S	S	*	*			trans	85.8	144.1	171	-59.6	-77.2	0	0	0	118.6	N371	N371-F1323 WeakPolarHBondContact ND2-CE2 3.36Å; N371-F1323 WeakPolarHBondContact ND2-CZ 3.24Å; N371-F1323 WeakPolarHBondContact OD1-CZ 3.5Å
1324	G	28.9	Very low	28.5	Very low	66 Å²	66	141 Å²	141	68%	0.68	71%	0.713	S	S	*	*			cis	156.8	153.6	-21.6	0	0	0	0	0	118.4
1325	K	28.8	Very low	28.3	Very low	176 Å²	176	143.9 Å²	143.9	77%	0.765	72%	0.718	S	S	*	*			trans	91.7	111	150.5	-82.2	-165.1	172.1	-165.9	0	124.6
1326	S	26.5	Very low	28.4	Very low	98 Å²	98	142 Å²	142	69%	0.685	72%	0.716	S	S	*	*				75.6	131.4	114.8	70.5	0	0	0	0	127.7
1327	S	25.7	Very low	28.4	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	71%	0.713	S	S	*	*				90.7	108	122.4	61.4	0	0	0	0	125.9
1328	T	28	Very low	28.1	Very low	114 Å²	114	140 Å²	140	70%	0.699	73%	0.725	S	S	*	*				62.3	139.2	118.6	-26	0	0	0	0	123.8
1329	Y	26	Very low	28	Very low	224 Å²	224	140.4 Å²	140.4	88%	0.878	73%	0.733	S	S	*	*				-176.9	173.6	123.5	-95.8	-63.8	0	0	0	113.9
1330	H	27.8	Very low	27.9	Very low	168 Å²	168	142.1 Å²	142.1	78%	0.778	74%	0.741	S	S	*	*			trans	-106.7	175.4	-164.5	-78.7	-118.1	0	0	0	115.5
1331	V	26.7	Very low	27.8	Very low	129 Å²	129	136.6 Å²	136.6	78%	0.782	74%	0.735	S	S	*	*				164.5	122.2	114.3	159.6	0	0	0	0	115.8
1332	T	28.9	Very low	27.6	Very low	105 Å²	105	137.4 Å²	137.4	64%	0.644	75%	0.748	S	S	*	*			trans	29.9	122	150.9	69.8	0	0	0	0	126.8
1333	D	28.7	Very low	27.5	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	76%	0.763	S	S	*	*				57.3	140.9	108.7	-36.4	-35.8	0	0	0	125.8
1334	F	27.9	Very low	27.6	Very low	195 Å²	195	140 Å²	140	86%	0.855	76%	0.762	S	S	*	*				-164.6	162.9	125.3	-115.5	-73.9	0	0	0	112.2
1335	E	28.9	Very low	27.5	Very low	163 Å²	163	143.9 Å²	143.9	76%	0.762	77%	0.767	S	S	*	*			trans	-91.5	169.9	-164.4	-54	154.7	109.1	0	0	115.1
1336	D	28.6	Very low	27.3	Very low	147 Å²	147	142.9 Å²	142.9	79%	0.786	77%	0.769	S	S	*	*				170.4	149.5	94.4	-153.5	-3.2	0	0	0	115.3
1337	S	29.3	Very low	27.3	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	77%	0.77	S	S	*	*			trans	72.7	140.5	157.8	70.5	0	0	0	0	122.2
1338	L	28.2	Very low	27.3	Very low	165 Å²	165	143.4 Å²	143.4	86%	0.864	77%	0.767	S	S	*	*			trans	-130.1	163.3	-179.3	-77.7	156.3	0	0	0	109.5
1339	E	28.3	Very low	27.4	Very low	185 Å²	185	146 Å²	146	86%	0.864	78%	0.777	S	S	*	*			trans	-160.8	103.6	130.1	-116.9	169.6	-149.4	0	0	114.2
1340	E	26.2	Very low	27.4	Very low	169 Å²	169	143.1 Å²	143.1	79%	0.79	78%	0.777	S	S	*	*			trans	65.3	148.8	131.4	-69.4	-150.7	150.4	0	0	127.4
1341	C	25.7	Very low	27.5	Very low	106 Å²	106	141.8 Å²	141.8	72%	0.716	78%	0.775	S	S	*	*			trans	73.9	145.3	152.1	-77.3	0	0	0	0	122.1
1342	S	24.8	Very low	27.6	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	77%	0.77	S	S	*	*				-179.8	141	-54	48.8	0	0	0	0	110
1343	M	27.7	Very low	27.6	Very low	177 Å²	177	141.5 Å²	141.5	87%	0.872	78%	0.778	S	S	*	*			trans	-167.7	137	159.6	-94.8	-135.4	69	0	0	111.5
1344	P	28	Very low	27.6	Very low	108 Å²	108	140.5 Å²	140.5	70%	0.701	77%	0.765	S	S	*	*			trans	-112.9	175.5	177.6	40.5	-33.1	0	0	0	115.9
1345	D	26.5	Very low	27.7	Very low	146 Å²	146	138.8 Å²	138.8	78%	0.781	76%	0.763	S	S	*	*			trans	-36.9	151.2	-177.4	-51.1	-51.1	0	0	0	121
1346	I	25.6	Very low	27.7	Very low	156 Å²	156	135.6 Å²	135.6	80%	0.8	76%	0.757	S	S	*	*				172.9	161.6	127.5	-89.8	158.7	0	0	0	110.5
1347	T	26.3	Very low	27.6	Very low	117 Å²	117	132 Å²	132	72%	0.718	74%	0.744	S	S	*	*			trans	62.4	136	-177.5	51.8	0	0	0	0	115.9
1348	S	25.8	Very low	27.7	Very low	89 Å²	89	130.1 Å²	130.1	62%	0.622	73%	0.725	S	S	*	*			cis	85.3	104.4	26.7	78.7	0	0	0	0	115.5
1349	D	28.8	Very low	27.8	Very low	168 Å²	168	128 Å²	128	90%	0.898	71%	0.711	S	S	*	*			trans	-151.7	124.2	169	-87	-44.5	0	0	0	110.4
1350	D	26.8	Very low	27.9	Very low	164 Å²	164	123.9 Å²	123.9	88%	0.877	70%	0.698	S	S	*	*			trans	-105.7	134.4	161.2	-100.8	-54.8	0	0	0	107.6
1351	D	30.2	Very low	28	Very low	140 Å²	140	121.3 Å²	121.3	75%	0.749	69%	0.69	S	S	*	*			trans	-155.2	142.5	174.8	-137.3	17.4	0	0	0	115.2
1352	P	29.4	Very low	27.9	Very low	103 Å²	103	121.8 Å²	121.8	67%	0.669	70%	0.695	S	S	*	*			trans	-95.3	-172.7	-171.4	42.4	-35.6	0	0	0	112.6
1353	P	28.9	Very low	28	Very low	125 Å²	125	121.2 Å²	121.2	81%	0.812	70%	0.696	S	S	*	*			trans	-93.8	151.2	-163.1	35.1	-33	0	0	0	116.8
1354	Y	28.9	Very low	28	Very low	120 Å²	120	121.1 Å²	121.1	47%	0.471	69%	0.693	S	S	.	*			trans	-44.5	134.1	176.4	-110.5	-136.3	0	0	0	117.1
1355	L	28.4	Very low	28.2	Very low	158 Å²	158	119.4 Å²	119.4	83%	0.827	68%	0.682	S	S	*	*			trans	-134.7	164.8	151.7	-86.5	177.4	0	0	0	109.4
1356	P	29.2	Very low	28.1	Very low	97 Å²	97	116.9 Å²	116.9	63%	0.63	67%	0.672	S	S	*	*			trans	-102.2	123.3	-141.5	-5.6	27.7	0	0	0	117.4	R638	R638-P1356 VanDerWaalsContact NH1-CA 3.3Å
1357	S	27.2	Very low	28.1	Very low	72 Å²	72	118.3 Å²	118.3	50%	0.503	67%	0.672	S	S	.	*			trans	-62.4	-173.5	175.2	-25.7	0	0	0	0	120.5	R638	R638-S1357 PolarHBondContact NH2-O 3.16Å
1358	D	32	Very low	28	Very low	67 Å²	67	118.3 Å²	118.3	36%	0.358	67%	0.672	S	S	.	*			trans	104.8	118.6	166.5	-63	36.3	0	0	0	114	R638 R641	R638-D1358 WeakPolarHBondContact CD-OD1 3.44Å; R638-D1358 IonicContact CZ-OD1 2.76Å; R638-D1358 IonicContact NE-OD1 2.71Å; R638-D1358 PolarHBondContact NE-OD1 3.42Å; R638-D1358 IonicContact NH2-OD1 2.6Å; R641-D1358 IonicContact CZ-OD2 3.63Å; R641-D1358 IonicContact NE-OD2 3.19Å; R641-D1358 IonicContact NH1-OD2 2.64Å; R641-D1358 PolarHBondContact NH1-OD2 3.22Å
1359	E	29.7	Very low	27.9	Very low	121 Å²	121	121.8 Å²	121.8	57%	0.565	68%	0.676	S	S	*	*			cis	-170.2	131.6	-10.4	-143	173.1	-139.7	0	0	113.4	R641	R641-E1359 IonicContact CZ-OE1 2.84Å; R641-E1359 IonicContact CZ-OE2 3.83Å; R641-E1359 IonicContact NH1-OE1 2.83Å; R641-E1359 PolarHBondContact NH1-OE1 3Å; R641-E1359 IonicContact NH1-OE2 3.97Å; R641-E1359 PolarHBondContact NH1-OE2 2.93Å; R641-E1359 IonicContact NH2-OE1 3.87Å; R641-E1359 PolarHBondContact NH2-OE1 3.06Å; R641-E1359 IonicContact NH2-OE2 3.42Å; R641-E1359 PolarHBondContact NH2-OE2 3.45Å
1360	T	29.3	Very low	27.7	Very low	97 Å²	97	118.9 Å²	118.9	60%	0.595	66%	0.66	S	S	*	*			trans	-160.8	119.6	137.7	36.3	0	0	0	0	105.5	E1513	T1360-E1513 VanDerWaalsContact CB-OE1 3.3Å; T1360-E1513 WeakPolarHBondContact CB-OE1 3.5Å; T1360-E1513 PolarHBondContact OG1-OE1 2.89Å
1361	D	28.4	Very low	27.5	Very low	116 Å²	116	113.6 Å²	113.6	62%	0.62	64%	0.636	S	S	*	*				68.4	94.1	85.6	-68.5	-31.6	0	0	0	113.7
1362	S	25	Very low	27.2	Very low	116 Å²	116	112.1 Å²	112.1	81%	0.811	63%	0.628	S	S	*	*				86.9	135.8	95.1	76.1	0	0	0	0	114
1363	A	27.1	Very low	27	Very low	89 Å²	89	111 Å²	111	74%	0.736	63%	0.627	S	S	*	*			cis	-136.2	169.3	8.5	0	0	0	0	0	109.6
1364	E	26.7	Very low	26.9	Very low	174 Å²	174	110.2 Å²	110.2	81%	0.813	63%	0.625	S	S	*	*				53.6	150	55.9	-97.5	-152.4	-139.2	0	0	115.2
1365	P	32.1	Very low	26.7	Very low	73 Å²	73	108.9 Å²	108.9	47%	0.474	63%	0.633	S	S	.	*			cis	-144.1	169.3	-28.1	35.1	-16.4	0	0	0	115.9	D1442	P1365-D1442 VanDerWaalsContact C-OD2 3.29Å; P1365-D1442 VanDerWaalsContact O-CG 3.3Å
1366	V	24.9	Very low	26.6	Very low	93 Å²	93	112.4 Å²	112.4	56%	0.564	64%	0.635	S	S	*	*			trans	151.1	113.3	135.2	167.9	0	0	0	0	118.1	D1442	V1366-D1442 WeakPolarHBondContact CA-OD2 3.26Å; V1366-D1442 PolarHBondContact N-OD2 3.06Å
1367	K	24.6	Very low	26.4	Very low	186 Å²	186	113 Å²	113	81%	0.809	64%	0.637	S	S	*	*			trans	12	139.9	141.1	-45	168.4	-175.7	173.4	0	121
1368	V	24.3	Very low	26.2	Very low	117 Å²	117	120.5 Å²	120.5	71%	0.709	65%	0.654	S	S	*	*				162.9	120.1	113	157.8	0	0	0	0	113.3
1369	K	24.3	Very low	25.9	Very low	162 Å²	162	128.3 Å²	128.3	70%	0.704	68%	0.679	S	S	*	*			trans	45.1	156.3	147.8	-65.5	-177.4	176	-173.8	0	123.4	Q70	Q70-K1369 VanDerWaalsContact NE2-C 3.32Å; Q70-K1369 PolarHBondContact NE2-O 3.38Å
1370	D	24.4	Very low	25.6	Very low	107 Å²	107	127.2 Å²	127.2	57%	0.572	68%	0.684	S	S	*	*			cis	168.2	160.4	-22.1	-153.9	-18.8	0	0	0	109.3	N69 Q70	N69-D1370 PolarHBondContact OD1-O 3.31Å; Q70-D1370 VanDerWaalsContact CA-O 3.29Å; Q70-D1370 WeakPolarHBondContact CA-O 3.45Å; Q70-D1370 PolarHBondContact N-O 3.19Å; Q70-D1370 PolarHBondContact NE2-O 2.69Å
1371	S	23.4	Very low	25.4	Very low	53 Å²	53	127.2 Å²	127.2	37%	0.371	69%	0.689	S	S	.	*			trans	62.5	175.7	168.3	66	0	0	0	0	116.6	S68 N69 Q70 Q71	S68-S1371 CarbonylContact C-O 3.59Å; N69-S1371 CarbonylContact C-O 3.53Å; N69-S1371 WeakPolarHBondContact CA-O 3.31Å; N69-S1371 PolarHBondContact N-O 3.22Å; Q70-S1371 WeakPolarHBondContact CA-OG 3.43Å; Q70-S1371 VanDerWaalsContact N-C 3.3Å; Q70-S1371 PolarHBondContact N-O 3.2Å; Q71-S1371 PolarHBondContact N-OG 3.32Å
1372	L	23.9	Very low	25.2	Very low	108 Å²	108	127.4 Å²	127.4	57%	0.565	69%	0.694	S	S	*	*			trans	109.8	77.5	136.2	-35.9	168.6	0	0	0	119.8	N69	N69-L1372 CarbonylContact C-O 3.55Å
1373	A	24.6	Very low	25.2	Very low	79 Å²	79	130 Å²	130	65%	0.653	69%	0.693	S	S	*	*			trans	-92.2	152.3	-170	0	0	0	0	0	117
1374	S	26.5	Very low	25.1	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	69%	0.688	S	S	*	*			trans	87.6	159.7	130.1	-166.5	0	0	0	0	121.9
1375	S	25	Very low	24.9	Very low	92 Å²	92	130.4 Å²	130.4	64%	0.643	69%	0.69	S	S	*	*			trans	88.6	87.5	148.9	-57.9	0	0	0	0	120
1376	R	25.5	Very low	24.6	Very low	232 Å²	232	134.2 Å²	134.2	88%	0.875	71%	0.706	S	S	*	*				-178.8	101.9	104.8	-94.2	166.3	179	-178.3	2.7	111.2
1377	T	24.9	Very low	24.9	Very low	110 Å²	110	134.4 Å²	134.4	68%	0.675	71%	0.709	S	S	*	*				62	126.7	85.6	68	0	0	0	0	117.2
1378	R	24.8	Very low	24.9	Very low	228 Å²	228	131.7 Å²	131.7	86%	0.86	71%	0.708	S	S	*	*			trans	64.4	104.1	146.4	-64.4	168.8	174.4	-177.7	-1.1	119
1379	R	24.7	Very low	24.9	Very low	232 Å²	232	130.5 Å²	130.5	88%	0.875	71%	0.705	S	S	*	*				-174.9	113.1	104.6	-93.5	158.2	176.5	177.4	-0.6	107.2
1380	S	23.4	Very low	25	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	71%	0.709	S	S	*	*				64.5	106.2	75.6	76.3	0	0	0	0	114.3
1381	S	24.7	Very low	25.1	Very low	98 Å²	98	130.2 Å²	130.2	69%	0.685	72%	0.719	S	S	*	*			trans	64.9	127.4	141.8	60.1	0	0	0	0	121.4
1382	T	24.4	Very low	25.4	Very low	119 Å²	119	134.7 Å²	134.7	73%	0.73	74%	0.743	S	S	*	*			trans	77.7	152.1	136.6	53.4	0	0	0	0	120.8
1383	H	25.1	Very low	25.7	Very low	170 Å²	170	135.3 Å²	135.3	79%	0.787	75%	0.751	S	S	*	*			trans	67.3	92.4	173.6	-61.2	-73.9	0	0	0	117.9
1384	A	25.1	Very low	25.8	Very low	77 Å²	77	138.8 Å²	138.8	64%	0.636	76%	0.759	S	S	*	*				29.4	150.3	102.8	0	0	0	0	0	120.3
1385	F	23.4	Very low	25.9	Very low	195 Å²	195	137.4 Å²	137.4	86%	0.855	75%	0.75	S	S	*	*			trans	82.8	115.8	173.9	-69.3	-87.4	0	0	0	118.3
1386	L	25.9	Very low	26.1	Very low	154 Å²	154	138.3 Å²	138.3	81%	0.806	76%	0.756	S	S	*	*			trans	-14.1	160.3	131.2	-64	160.5	0	0	0	116.7
1387	P	30.4	Very low	26.2	Very low	97 Å²	97	135.4 Å²	135.4	63%	0.63	76%	0.758	S	S	*	*			cis	-141.9	-162.7	-28.9	38	-17.9	0	0	0	112.5
1388	T	24	Very low	26.3	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	76%	0.761	S	S	*	*			trans	69.7	163.9	152.7	45.3	0	0	0	0	121
1389	S	25.4	Very low	26.5	Very low	93 Å²	93	132.8 Å²	132.8	65%	0.65	76%	0.759	S	S	*	*			trans	74.3	116	171.7	-80.9	0	0	0	0	120.3
1390	E	25.8	Very low	26.8	Very low	169 Å²	169	130.4 Å²	130.4	79%	0.79	76%	0.758	S	S	*	*				47.9	108.8	123.6	-61.7	151.8	136.9	0	0	117.7
1391	A	27	Very low	27	Very low	93 Å²	93	134.8 Å²	134.8	77%	0.769	77%	0.765	S	S	*	*				63	102.7	64.7	0	0	0	0	0	114.5
1392	V	28.8	Very low	27.2	Very low	147 Å²	147	136.8 Å²	136.8	89%	0.891	77%	0.767	S	S	*	*			trans	-135.6	143.2	151.7	161.2	0	0	0	0	107
1393	V	30.7	Very low	27.5	Very low	121 Å²	121	137.8 Å²	137.8	73%	0.733	77%	0.768	S	S	*	*			trans	-114.4	144.3	-173.1	174.2	0	0	0	0	109.8
1394	D	27.1	Very low	27.8	Very low	152 Å²	152	138.5 Å²	138.5	81%	0.813	76%	0.763	S	S	*	*			trans	-154.7	142.3	150.3	-103	-29.2	0	0	0	109.8
1395	S	27.4	Very low	28	Very low	82 Å²	82	142.5 Å²	142.5	57%	0.573	77%	0.769	S	S	*	*			cis	-178.9	69.3	-37.1	42.3	0	0	0	0	110.5
1396	S	28.6	Very low	28.4	Very low	111 Å²	111	138.8 Å²	138.8	78%	0.776	77%	0.767	S	S	*	*	S	Bend	trans	-167.6	90.4	166.3	1.6	0	0	0	0	112.4
1397	D	29.6	Very low	28.6	Very low	171 Å²	171	135 Å²	135	91%	0.914	75%	0.754	S	S	*	*			trans	163.2	78.7	147	-88.7	-10.7	0	0	0	107.4
1398	S	25.7	Very low	28.5	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	76%	0.755	S	S	*	*			trans	-132.8	103.3	-164	57.4	0	0	0	0	111.7
1399	E	30.2	Very low	28.9	Very low	177 Å²	177	136.1 Å²	136.1	83%	0.827	76%	0.76	S	S	*	*	S	Bend	trans	-155.3	-38.2	155.2	-119.5	164.5	-142.9	0	0	113.8
1400	E	29.4	Very low	29.1	Very low	181 Å²	181	137.7 Å²	137.7	85%	0.846	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-76.1	-23.8	-175.6	-69	-164.9	128.2	0	0	115.9	L1402	E1400-L1402 PolarHBondContact O-N 3.37Å; E1400-L1402 VanDerWaalsContact O-N 3.13Å
1401	F	28.2	Very low	29.3	Very low	189 Å²	189	135.3 Å²	135.3	83%	0.829	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-68.7	-14.6	-172.9	-154.1	-98.2	0	0	0	114.3	L1403	F1401-L1403 PolarHBondContact O-N 3.18Å
1402	L	30	Very low	29.6	Very low	140 Å²	140	137.7 Å²	137.7	73%	0.733	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-85.4	-2	-173.6	-73.5	168.6	0	0	0	115.1	E1400	E1400-L1402 PolarHBondContact O-N 3.37Å; E1400-L1402 VanDerWaalsContact O-N 3.13Å
1403	L	30.9	Very low	29.8	Very low	140 Å²	140	136.1 Å²	136.1	73%	0.733	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-86.4	-16.7	-178.1	-87.4	163.2	0	0	0	114.9	F1401	F1401-L1403 PolarHBondContact O-N 3.18Å
1404	W	29.8	Very low	30.1	Very low	185 Å²	185	133.7 Å²	133.7	70%	0.701	74%	0.738	S	S	*	*	S	Bend	trans	-85.1	-36.1	-168.2	-150.8	-88.3	0	0	0	114.3	S1406 S1407	W1404-S1406 VanDerWaalsContact C-N 3.34Å; W1404-S1406 PolarHBondContact O-N 3.42Å; W1404-S1407 PolarHBondContact O-N 3.06Å
1405	E	29.8	Very low	30.7	Very low	162 Å²	162	129.4 Å²	129.4	76%	0.757	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-69.5	-27.5	-171	-61.3	-166.6	137.8	0	0	114	S1407	E1405-S1407 PolarHBondContact O-N 2.66Å
1406	S	31.5	Very low	31.5	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-76	-3.6	-179	-67.1	0	0	0	0	114.6	W1404	W1404-S1406 VanDerWaalsContact C-N 3.34Å; W1404-S1406 PolarHBondContact O-N 3.42Å
1407	S	30.1	Very low	32.1	Very low	74 Å²	74	131.1 Å²	131.1	52%	0.517	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-113.6	1.6	-169	-59.8	0	0	0	0	115	W1404 E1405 N1409	W1404-S1407 PolarHBondContact O-N 3.06Å; E1405-S1407 PolarHBondContact O-N 2.66Å; S1407-N1409 PolarHBondContact O-N 2.85Å
1408	A	29.3	Very low	32.9	Very low	79 Å²	79	126.8 Å²	126.8	65%	0.653	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-13.5	-166.6	0	0	0	0	0	116.5	V1410	A1408-V1410 PolarHBondContact O-N 3.06Å
1409	N	30.7	Very low	34.1	Very low	169 Å²	169	124.6 Å²	124.6	90%	0.904	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	11.3	-173.5	-74.8	-31.1	0	0	0	115.6	S1407	S1407-N1409 PolarHBondContact O-N 2.85Å
1410	V	30.4	Very low	35.2	Very low	127 Å²	127	120.3 Å²	120.3	77%	0.77	66%	0.655	S	S	*	*	S	Bend	trans	-124.5	-11.7	-172.1	-171.1	0	0	0	0	114	A1408 N1412	A1408-V1410 PolarHBondContact O-N 3.06Å; V1410-N1412 PolarHBondContact O-N 3.18Å
1411	V	29.3	Very low	36.5	Very low	119 Å²	119	116.6 Å²	116.6	72%	0.721	64%	0.641	S	S	*	*			trans	-84	87.6	-175.3	-170.7	0	0	0	0	111.1
1412	N	34.2	Very low	37.7	Very low	142 Å²	142	107.9 Å²	107.9	76%	0.759	60%	0.604	S	S	*	*			trans	-49	141.7	165.7	-117.7	-10.5	0	0	0	110.2	V1410 L1414	V1410-N1412 PolarHBondContact O-N 3.18Å; N1412-L1414 PolarHBondContact O-N 3.16Å; N1412-L1414 VanDerWaalsContact O-N 3.12Å
1413	P	32.5	Very low	38.7	Very low	114 Å²	114	103.3 Å²	103.3	74%	0.74	58%	0.577	S	S	*	*			trans	-58.8	120.7	-174.9	24.3	-33.8	0	0	0	110.3	C1415	P1413-C1415 PolarHBondContact O-N 2.86Å
1414	L	38	Very low	40	Very low	70 Å²	70	99.2 Å²	99.2	37%	0.366	56%	0.563	S	S	.	*			trans	-67.3	104.4	175.3	-111.8	92	0	0	0	108.4	N1412 W1416 T1422 F1491	N1412-L1414 PolarHBondContact O-N 3.16Å; N1412-L1414 VanDerWaalsContact O-N 3.12Å; L1414-W1416 PolarHBondContact O-N 2.9Å; L1414-T1422 HydrophobicContact CG-CG2 4.47Å; L1414-F1491 HydrophobicContact CD2-CZ 4.32Å
1415	C	40	Very low	41.2	Very low	63 Å²	63	95.3 Å²	95.3	43%	0.426	55%	0.551	S	S	.	*			trans	-63.4	122.3	175.5	-155.9	0	0	0	0	108.5	P1413 Y1417	P1413-C1415 PolarHBondContact O-N 2.86Å; C1415-Y1417 PolarHBondContact O-N 3.16Å; C1415-Y1417 VanDerWaalsContact O-N 3.08Å; C1415-Y1417 VanDerWaalsContact SG-CD2 3.59Å
1416	W	42.9	Very low	42.5	Very low	70 Å²	70	89.2 Å²	89.2	27%	0.265	52%	0.521	S	S	.	.	S	Bend	trans	-67.6	-3.7	175.7	-71.7	80.5	0	0	0	112.9	L1414 P1467 G1470 V1494	L1414-W1416 PolarHBondContact O-N 2.9Å; W1416-P1467 HydrophobicContact CH2-CG 3.83Å; W1416-P1467 HydrophobicContact CZ2-CG 4.35Å; W1416-P1467 HydrophobicContact CZ3-CG 4Å; W1416-G1470 PolarHBondContact NE1-O 3.49Å; W1416-V1494 HydrophobicContact CH2-CG1 3.89Å; W1416-V1494 HydrophobicContact CZ3-CG1 3.73Å
1417	Y	42.7	Very low	43.5	Very low	158 Å²	158	90.1 Å²	90.1	62%	0.62	51%	0.507	S	S	*	.	S	Bend	trans	-77.4	143.9	173.6	-73.2	-97.7	0	0	0	112	C1415 T1419 T1422	C1415-Y1417 PolarHBondContact O-N 3.16Å; C1415-Y1417 VanDerWaalsContact O-N 3.08Å; C1415-Y1417 VanDerWaalsContact SG-CD2 3.59Å; Y1417-T1419 PolarHBondContact O-N 2.64Å; Y1417-T1422 PolarHBondContact O-OG1 3.33Å
1418	P	44.9	Very low	45	Very low	80 Å²	80	89.3 Å²	89.3	52%	0.519	51%	0.505	S	S	.	.			trans	-74.5	81.1	-177.7	30.3	-35.8	0	0	0	112.3	Y1423	P1418-Y1423 HydrophobicContact CB-CE2 3.51Å; P1418-Y1423 WeakPolarHBondContact CB-OH 3.4Å
1419	T	51.8	Low	46.2	Very low	61 Å²	61	91.9 Å²	91.9	37%	0.374	50%	0.498	S	S	.	.			trans	-93.6	150	168.1	74.5	0	0	0	0	110.1	Y1417 D1421 T1422 Y1423	Y1417-T1419 PolarHBondContact O-N 2.64Å; T1419-D1421 PolarHBondContact O-N 3.06Å; T1419-D1421 VanDerWaalsContact O-N 3.15Å; T1419-T1422 PolarHBondContact N-OG1 3.09Å; T1419-T1422 VanDerWaalsContact N-OG1 3.08Å; T1419-T1422 PolarHBondContact O-N 3.03Å; T1419-T1422 PolarHBondContact O-OG1 3.45Å; T1419-T1422 VanDerWaalsContact O-OG1 3.06Å; T1419-T1422 PolarHBondContact OG1-N 3.01Å; T1419-T1422 VanDerWaalsContact OG1-N 3.1Å; T1419-T1422 PolarHBondContact OG1-OG1 3.25Å; T1419-Y1423 WeakPolarHBondContact O-CD2 3.18Å; T1419-Y1423 PolarHBondContact O-N 2.94Å
1420	A	53.7	Low	47.3	Very low	86 Å²	86	85 Å²	85	71%	0.711	46%	0.462	S	S	*	.	H	α-helix	trans	-55.4	-34.6	176.7	0	0	0	0	0	112.4	A1424	A1420-A1424 WeakPolarHBondContact O-CB 3.49Å; A1420-A1424 PolarHBondContact O-N 3.43Å
1421	D	55.7	Low	48.5	Very low	103 Å²	103	83.4 Å²	83.4	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-67.1	-38.3	175.6	-113.8	51.9	0	0	0	113.7	T1419 K1425	T1419-D1421 PolarHBondContact O-N 3.06Å; T1419-D1421 VanDerWaalsContact O-N 3.15Å; D1421-K1425 VanDerWaalsContact O-CD 3.28Å; D1421-K1425 WeakPolarHBondContact O-CD 3.43Å; D1421-K1425 VanDerWaalsContact O-CG 3.27Å; D1421-K1425 WeakPolarHBondContact O-CG 3.42Å; D1421-K1425 PolarHBondContact O-N 3.37Å; D1421-K1425 IonicContact OD2-NZ 3.26Å; D1421-K1425 PolarHBondContact OD2-NZ 3.31Å
1422	T	54.3	Low	49.9	Very low	7 Å²	7	83.1 Å²	83.1	4%	0.043	45%	0.45	C	S	.	.	H	α-helix	trans	-73.6	-39.9	176.2	36.6	0	0	0	0	111.3	L1414 Y1417 T1419 A1424 K1425 W1426	L1414-T1422 HydrophobicContact CG-CG2 4.47Å; Y1417-T1422 PolarHBondContact O-OG1 3.33Å; T1419-T1422 PolarHBondContact N-OG1 3.09Å; T1419-T1422 VanDerWaalsContact N-OG1 3.08Å; T1419-T1422 PolarHBondContact O-N 3.03Å; T1419-T1422 PolarHBondContact O-OG1 3.45Å; T1419-T1422 VanDerWaalsContact O-OG1 3.06Å; T1419-T1422 PolarHBondContact OG1-N 3.01Å; T1419-T1422 VanDerWaalsContact OG1-N 3.1Å; T1419-T1422 PolarHBondContact OG1-OG1 3.25Å; T1422-A1424 PolarHBondContact O-N 2.82Å; T1422-K1425 PolarHBondContact O-N 2.87Å; T1422-W1426 VanDerWaalsContact O-CG 3.26Å; T1422-W1426 PolarHBondContact O-N 2.95Å
1423	Y	50.9	Low	50.9	Low	44 Å²	44	77.5 Å²	77.5	17%	0.173	42%	0.42	C	S	.	.	H	α-helix	trans	-59.2	-43.3	169.6	-77.4	-69.5	0	0	0	113	P1418 T1419 K1425 W1426 R1427	P1418-Y1423 HydrophobicContact CB-CE2 3.51Å; P1418-Y1423 WeakPolarHBondContact CB-OH 3.4Å; T1419-Y1423 WeakPolarHBondContact O-CD2 3.18Å; T1419-Y1423 PolarHBondContact O-N 2.94Å; Y1423-K1425 VanDerWaalsContact C-N 3.32Å; Y1423-K1425 PolarHBondContact O-N 3.13Å; Y1423-W1426 AromaticContact CD1-CE3 4Å; Y1423-W1426 HydrophobicContact CD1-CE3 4Å; Y1423-W1426 HydrophobicContact CD1-CZ3 4.28Å; Y1423-W1426 HydrophobicContact CE1-CE3 4.27Å; Y1423-W1426 HydrophobicContact CE1-CZ3 4.13Å; Y1423-W1426 PolarHBondContact O-N 3.31Å; Y1423-R1427 WeakPolarHBondContact O-CG 3.28Å; Y1423-R1427 PolarHBondContact O-N 2.8Å
1424	A	57.2	Low	51.9	Low	53 Å²	53	75.9 Å²	75.9	44%	0.438	43%	0.425	S	S	.	.	H	α-helix	trans	-60.4	-42.2	177.6	0	0	0	0	0	111.9	A1420 T1422 A1428	A1420-A1424 WeakPolarHBondContact O-CB 3.49Å; A1420-A1424 PolarHBondContact O-N 3.43Å; T1422-A1424 PolarHBondContact O-N 2.82Å; A1424-A1428 WeakPolarHBondContact O-CB 3.14Å; A1424-A1428 PolarHBondContact O-N 3.15Å; A1424-A1428 VanDerWaalsContact O-N 3.1Å
1425	K	55.6	Low	52.8	Low	104 Å²	104	80.5 Å²	80.5	45%	0.452	44%	0.444	S	S	.	.	H	α-helix	trans	-68.2	-35.6	176.5	-70.1	160.5	-166.9	153.4	0	112.5	D1421 T1422 Y1423 R1429	D1421-K1425 VanDerWaalsContact O-CD 3.28Å; D1421-K1425 WeakPolarHBondContact O-CD 3.43Å; D1421-K1425 VanDerWaalsContact O-CG 3.27Å; D1421-K1425 WeakPolarHBondContact O-CG 3.42Å; D1421-K1425 PolarHBondContact O-N 3.37Å; D1421-K1425 IonicContact OD2-NZ 3.26Å; D1421-K1425 PolarHBondContact OD2-NZ 3.31Å; T1422-K1425 PolarHBondContact O-N 2.87Å; Y1423-K1425 VanDerWaalsContact C-N 3.32Å; Y1423-K1425 PolarHBondContact O-N 3.13Å; K1425-R1429 PolarHBondContact O-N 3.33Å
1426	W	56.8	Low	53.8	Low	33 Å²	33	80.9 Å²	80.9	13%	0.125	44%	0.44	C	S	.	.	H	α-helix	trans	-67.3	-50.2	173.5	-66.7	-14.6	0	0	0	111.7	T1422 Y1423 A1428 R1429 V1430	T1422-W1426 VanDerWaalsContact O-CG 3.26Å; T1422-W1426 PolarHBondContact O-N 2.95Å; Y1423-W1426 AromaticContact CD1-CE3 4Å; Y1423-W1426 HydrophobicContact CD1-CE3 4Å; Y1423-W1426 HydrophobicContact CD1-CZ3 4.28Å; Y1423-W1426 HydrophobicContact CE1-CE3 4.27Å; Y1423-W1426 HydrophobicContact CE1-CZ3 4.13Å; Y1423-W1426 PolarHBondContact O-N 3.31Å; W1426-A1428 VanDerWaalsContact C-N 3.3Å; W1426-A1428 PolarHBondContact O-N 3.13Å; W1426-R1429 PolarHBondContact O-N 2.9Å; W1426-V1430 WeakPolarHBondContact O-CG2 3.44Å; W1426-V1430 PolarHBondContact O-N 2.86Å
1427	R	53.1	Low	54.9	Low	136 Å²	136	81.2 Å²	81.2	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-57.7	-42.1	178.3	-69.2	-172.5	-160	118.7	6.4	112.3	Y1423 R1429 V1430 S1431 D1503	Y1423-R1427 WeakPolarHBondContact O-CG 3.28Å; Y1423-R1427 PolarHBondContact O-N 2.8Å; R1427-R1429 VanDerWaalsContact C-N 3.27Å; R1427-R1429 PolarHBondContact O-N 3.16Å; R1427-V1430 PolarHBondContact O-N 2.89Å; R1427-V1430 VanDerWaalsContact O-N 3.12Å; R1427-S1431 PolarHBondContact O-N 3.03Å; R1427-S1431 PolarHBondContact O-OG 3.2Å; R1427-D1503 IonicContact CZ-OD2 2.99Å; R1427-D1503 IonicContact NE-OD2 3.39Å; R1427-D1503 PolarHBondContact NE-OD2 3.05Å; R1427-D1503 IonicContact NH2-OD2 3.38Å; R1427-D1503 PolarHBondContact NH2-OD2 3.42Å
1428	A	60.3	Low	56	Low	58 Å²	58	76.9 Å²	76.9	48%	0.479	44%	0.436	S	S	.	.	H	α-helix	trans	-61.3	-32.4	177.1	0	0	0	0	0	113.6	A1424 W1426 S1431	A1424-A1428 WeakPolarHBondContact O-CB 3.14Å; A1424-A1428 PolarHBondContact O-N 3.15Å; A1424-A1428 VanDerWaalsContact O-N 3.1Å; W1426-A1428 VanDerWaalsContact C-N 3.3Å; W1426-A1428 PolarHBondContact O-N 3.13Å; A1428-S1431 WeakPolarHBondContact CA-OG 3.41Å; A1428-S1431 PolarHBondContact O-OG 3.48Å
1429	R	54.4	Low	57.1	Low	133 Å²	133	81.5 Å²	81.5	50%	0.502	44%	0.443	S	S	.	.	H	α-helix	trans	-82.3	-25.6	173.9	-114.2	172.2	172.2	74.7	-2	113.2	K1425 W1426 R1427	K1425-R1429 PolarHBondContact O-N 3.33Å; W1426-R1429 PolarHBondContact O-N 2.9Å; R1427-R1429 VanDerWaalsContact C-N 3.27Å; R1427-R1429 PolarHBondContact O-N 3.16Å
1430	V	54.3	Low	57.4	Low	25 Å²	25	84 Å²	84	15%	0.152	45%	0.451	C	S	.	.	H	α-helix	trans	-77.3	-26.9	175.1	169.8	0	0	0	0	111.8	W1426 R1427 D1432 L1433 K1499	W1426-V1430 WeakPolarHBondContact O-CG2 3.44Å; W1426-V1430 PolarHBondContact O-N 2.86Å; R1427-V1430 PolarHBondContact O-N 2.89Å; R1427-V1430 VanDerWaalsContact O-N 3.12Å; V1430-D1432 PolarHBondContact O-N 3.49Å; V1430-L1433 HydrophobicContact CB-CD1 4.27Å; V1430-L1433 HydrophobicContact CG1-CD1 4.11Å; V1430-L1433 HydrophobicContact CG2-CD1 4.45Å; V1430-L1433 WeakPolarHBondContact O-CB 3.16Å; V1430-L1433 VanDerWaalsContact O-CD1 3.32Å; V1430-L1433 WeakPolarHBondContact O-CD1 3.4Å; V1430-L1433 PolarHBondContact O-N 3.01Å; V1430-K1499 HydrophobicContact CG1-CD 3.8Å
1431	S	55.5	Low	57.2	Low	93 Å²	93	88.6 Å²	88.6	65%	0.65	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.4	171.5	33.5	0	0	0	0	114.1	R1427 A1428 L1433	R1427-S1431 PolarHBondContact O-N 3.03Å; R1427-S1431 PolarHBondContact O-OG 3.2Å; A1428-S1431 WeakPolarHBondContact CA-OG 3.41Å; A1428-S1431 PolarHBondContact O-OG 3.48Å; S1431-L1433 VanDerWaalsContact C-N 3.34Å
1432	D	58.8	Low	57.4	Low	112 Å²	112	87.8 Å²	87.8	60%	0.599	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	4.1	179.2	-57.3	-31.4	0	0	0	113.4	V1430 G1434	V1430-D1432 PolarHBondContact O-N 3.49Å; D1432-G1434 PolarHBondContact O-N 3.42Å
1433	L	54.8	Low	57.6	Low	24 Å²	24	91.3 Å²	91.3	13%	0.126	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-59.8	-15.1	-170.8	-114.4	80.5	0	0	0	116.2	V1430 S1431 Q1435 H1436 I1437 Y1447 L1496	V1430-L1433 HydrophobicContact CB-CD1 4.27Å; V1430-L1433 HydrophobicContact CG1-CD1 4.11Å; V1430-L1433 HydrophobicContact CG2-CD1 4.45Å; V1430-L1433 WeakPolarHBondContact O-CB 3.16Å; V1430-L1433 VanDerWaalsContact O-CD1 3.32Å; V1430-L1433 WeakPolarHBondContact O-CD1 3.4Å; V1430-L1433 PolarHBondContact O-N 3.01Å; S1431-L1433 VanDerWaalsContact C-N 3.34Å; L1433-Q1435 PolarHBondContact O-N 3.18Å; L1433-H1436 PolarHBondContact O-N 2.9Å; L1433-I1437 HydrophobicContact CD2-CD1 4.49Å; L1433-Y1447 HydrophobicContact CD1-CE2 4.09Å; L1433-Y1447 WeakPolarHBondContact CD1-OH 3.33Å; L1433-Y1447 HydrophobicContact CG-CE2 4.35Å; L1433-L1496 HydrophobicContact CD2-CD1 4.14Å; L1433-L1496 HydrophobicContact CD2-CD2 4.35Å
1434	G	53.2	Low	58.7	Low	81 Å²	81	90 Å²	90	84%	0.835	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-64	-2.6	-168.1	0	0	0	0	0	117	D1432	D1432-G1434 PolarHBondContact O-N 3.42Å
1435	Q	58.1	Low	59.6	Low	166 Å²	166	89.5 Å²	89.5	78%	0.776	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-118	-1.9	-178.9	-62.9	-172.9	-3.4	0	0	114.8	L1433	L1433-Q1435 PolarHBondContact O-N 3.18Å
1436	H	61.6	Low	60.5	Low	72 Å²	72	84.8 Å²	84.8	33%	0.333	43%	0.425	S	S	.	.	S	Bend	trans	-126.6	19	-169.7	-61.6	-37.8	0	0	0	115.1	L1433 Y1447	L1433-H1436 PolarHBondContact O-N 2.9Å; H1436-Y1447 HydrophobicContact CB-CD1 3.91Å; H1436-Y1447 HydrophobicContact CB-CE1 3.99Å; H1436-Y1447 AromaticContact CD2-CE1 3.7Å; H1436-Y1447 PolarHBondContact O-N 3.23Å
1437	I	65.6	Low	61.3	Low	76 Å²	76	84 Å²	84	39%	0.39	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.4	166.2	-59.9	172.7	0	0	0	107.4	L1433 L1444 F1445	L1433-I1437 HydrophobicContact CD2-CD1 4.49Å; I1437-L1444 HydrophobicContact CG2-CD1 3.58Å; I1437-F1445 WeakPolarHBondContact CA-O 3.49Å
1438	T	65	Low	62.4	Low	67 Å²	67	81.4 Å²	81.4	41%	0.411	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.7	-179	51.6	0	0	0	0	110.7	F1445	T1438-F1445 PolarHBondContact N-O 3.16Å; T1438-F1445 WeakPolarHBondContact O-CA 3.16Å; T1438-F1445 PolarHBondContact O-N 3.4Å
1439	W	68	Low	63.3	Low	177 Å²	177	78.7 Å²	78.7	67%	0.67	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.9	173.3	-71.7	88	0	0	0	109.1	D1442 L1444	W1439-D1442 WeakPolarHBondContact CZ3-O 3.2Å; W1439-L1444 HydrophobicContact CD2-CD1 4.16Å; W1439-L1444 HydrophobicContact CE3-CB 4.19Å; W1439-L1444 HydrophobicContact CH2-CB 4.07Å; W1439-L1444 HydrophobicContact CH2-CD1 4.42Å; W1439-L1444 HydrophobicContact CZ2-CB 4.36Å; W1439-L1444 HydrophobicContact CZ2-CD1 3.86Å; W1439-L1444 HydrophobicContact CZ3-CB 3.97Å
1440	H	58.1	Low	64.6	Low	115 Å²	115	72.4 Å²	72.4	53%	0.532	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	119.7	178.6	-169.3	59.9	0	0	0	110.5	D1442 E1443 F1445	H1440-D1442 PolarHBondContact O-N 3.16Å; H1440-E1443 PolarHBondContact N-O 3.41Å; H1440-E1443 PolarHBondContact O-N 3.1Å; H1440-F1445 HydrophobicContact CB-CD2 3.96Å; H1440-F1445 HydrophobicContact CB-CE2 3.89Å
1441	R	50.5	Low	65.9	Low	181 Å²	181	73 Å²	73	68%	0.683	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	44.3	-173.9	-57.4	175.8	172.7	178.9	-4.8	112.3	E1443	R1441-E1443 PolarHBondContact O-N 3.32Å
1442	D	59.5	Low	67.1	Low	87 Å²	87	73.6 Å²	73.6	47%	0.465	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	2.4	-179.8	-42.7	-54.8	0	0	0	115.5	P1365 V1366 W1439 H1440	P1365-D1442 VanDerWaalsContact C-OD2 3.29Å; P1365-D1442 VanDerWaalsContact O-CG 3.3Å; V1366-D1442 WeakPolarHBondContact CA-OD2 3.26Å; V1366-D1442 PolarHBondContact N-OD2 3.06Å; W1439-D1442 WeakPolarHBondContact CZ3-O 3.2Å; H1440-D1442 PolarHBondContact O-N 3.16Å
1443	E	57.8	Low	68.3	Low	80 Å²	80	68.9 Å²	68.9	37%	0.374	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.5	164.7	-68.2	-174.5	-178.3	0	0	111.2	H1440 R1441 F1445 P1451	H1440-E1443 PolarHBondContact N-O 3.41Å; H1440-E1443 PolarHBondContact O-N 3.1Å; R1441-E1443 PolarHBondContact O-N 3.32Å; E1443-F1445 HydrophobicContact CB-CD2 4.4Å; E1443-F1445 HydrophobicContact CB-CE2 3.77Å; E1443-F1445 HydrophobicContact CB-CZ 4.46Å; E1443-F1445 WeakPolarHBondContact O-CD2 3.34Å; E1443-P1451 HydrophobicContact CB-CG 4.4Å; E1443-P1451 HydrophobicContact CG-CG 4.25Å; E1443-P1451 WeakPolarHBondContact OE2-CD 3.4Å
1444	L	74	Confident	69.7	Low	18 Å²	18	68.3 Å²	68.3	9%	0.094	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.6	174	177.1	64.6	0	0	0	110.4	I1437 W1439 I1446 R1454 L1519	I1437-L1444 HydrophobicContact CG2-CD1 3.58Å; W1439-L1444 HydrophobicContact CD2-CD1 4.16Å; W1439-L1444 HydrophobicContact CE3-CB 4.19Å; W1439-L1444 HydrophobicContact CH2-CB 4.07Å; W1439-L1444 HydrophobicContact CH2-CD1 4.42Å; W1439-L1444 HydrophobicContact CZ2-CB 4.36Å; W1439-L1444 HydrophobicContact CZ2-CD1 3.86Å; W1439-L1444 HydrophobicContact CZ3-CB 3.97Å; L1444-I1446 HydrophobicContact CD2-CD1 4.31Å; L1444-I1446 HydrophobicContact CD2-CG1 4.49Å; L1444-I1446 HydrophobicContact CG-CD1 4.44Å; L1444-I1446 HydrophobicContact CG-CG1 4.15Å; L1444-R1454 PolarHBondContact O-NH1 2.75Å; L1444-R1454 PolarHBondContact O-NH2 2.89Å; L1444-L1519 HydrophobicContact CD2-CD2 3.84Å
1445	F	77.2	Confident	71.1	Confident	41 Å²	41	69.3 Å²	69.3	18%	0.18	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.2	173.8	-72.2	-95.9	0	0	0	111.1	I1437 T1438 H1440 E1443 F1449	I1437-F1445 WeakPolarHBondContact CA-O 3.49Å; T1438-F1445 PolarHBondContact N-O 3.16Å; T1438-F1445 WeakPolarHBondContact O-CA 3.16Å; T1438-F1445 PolarHBondContact O-N 3.4Å; H1440-F1445 HydrophobicContact CB-CD2 3.96Å; H1440-F1445 HydrophobicContact CB-CE2 3.89Å; E1443-F1445 HydrophobicContact CB-CD2 4.4Å; E1443-F1445 HydrophobicContact CB-CE2 3.77Å; E1443-F1445 HydrophobicContact CB-CZ 4.46Å; E1443-F1445 WeakPolarHBondContact O-CD2 3.34Å; F1445-F1449 WeakPolarHBondContact CA-O 3.39Å
1446	I	73.1	Confident	72.3	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	114	-177.2	-49.6	164	0	0	0	107.1	L1444 N1448 F1449 L1496 L1519	L1444-I1446 HydrophobicContact CD2-CD1 4.31Å; L1444-I1446 HydrophobicContact CD2-CG1 4.49Å; L1444-I1446 HydrophobicContact CG-CD1 4.44Å; L1444-I1446 HydrophobicContact CG-CG1 4.15Å; I1446-N1448 PolarHBondContact O-N 3.44Å; I1446-F1449 PolarHBondContact N-O 3.33Å; I1446-F1449 VanDerWaalsContact N-O 3.07Å; I1446-F1449 WeakPolarHBondContact O-CB 3.37Å; I1446-F1449 PolarHBondContact O-N 3.24Å; I1446-L1496 HydrophobicContact CG2-CD2 3.6Å; I1446-L1519 HydrophobicContact CD1-CD1 4.09Å; I1446-L1519 HydrophobicContact CD1-CD2 3.76Å; I1446-L1519 HydrophobicContact CD1-CG 4.43Å; I1446-L1519 HydrophobicContact CG1-CD2 4.36Å
1447	Y	74.7	Confident	73.5	Confident	17 Å²	17	61 Å²	61	7%	0.067	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.5	-168.1	-64.7	-73.9	0	0	0	112.7	L1433 H1436 F1449 F1488 H1489	L1433-Y1447 HydrophobicContact CD1-CE2 4.09Å; L1433-Y1447 WeakPolarHBondContact CD1-OH 3.33Å; L1433-Y1447 HydrophobicContact CG-CE2 4.35Å; H1436-Y1447 HydrophobicContact CB-CD1 3.91Å; H1436-Y1447 HydrophobicContact CB-CE1 3.99Å; H1436-Y1447 AromaticContact CD2-CE1 3.7Å; H1436-Y1447 PolarHBondContact O-N 3.23Å; Y1447-F1449 WeakPolarHBondContact O-CD2 3.17Å; Y1447-F1449 PolarHBondContact O-N 3.12Å; Y1447-F1488 HydrophobicContact CE1-CE1 4.49Å; Y1447-H1489 VanDerWaalsContact O-CB 3.25Å; Y1447-H1489 WeakPolarHBondContact O-CB 3.38Å; Y1447-H1489 VanDerWaalsContact O-CG 3.3Å
1448	N	76.7	Confident	74.3	Confident	82 Å²	82	58.7 Å²	58.7	44%	0.439	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	16.1	-172.6	-62.6	2.9	0	0	0	116.1	I1446 K1485 H1489	I1446-N1448 PolarHBondContact O-N 3.44Å; N1448-K1485 PolarHBondContact O-NZ 3.19Å; N1448-H1489 PolarHBondContact ND2-CE1 3.15Å
1449	F	78.5	Confident	75.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-88.9	112.9	164.4	-77	-110.5	0	0	0	109.8	F1445 I1446 Y1447 D1453 R1454 L1482 K1485 H1489 L1490 Y1493	F1445-F1449 WeakPolarHBondContact CA-O 3.39Å; I1446-F1449 PolarHBondContact N-O 3.33Å; I1446-F1449 VanDerWaalsContact N-O 3.07Å; I1446-F1449 WeakPolarHBondContact O-CB 3.37Å; I1446-F1449 PolarHBondContact O-N 3.24Å; Y1447-F1449 WeakPolarHBondContact O-CD2 3.17Å; Y1447-F1449 PolarHBondContact O-N 3.12Å; F1449-D1453 HydrophobicContact CB-CB 4.04Å; F1449-D1453 HydrophobicContact CD1-CB 3.5Å; F1449-D1453 VanDerWaalsContact CD1-CB 3.5Å; F1449-D1453 HydrophobicContact CE1-CB 4.24Å; F1449-D1453 HydrophobicContact CG-CB 4.04Å; F1449-R1454 HydrophobicContact CB-CG 3.95Å; F1449-R1454 PolarHBondContact O-NH1 3.22Å; F1449-L1482 HydrophobicContact CE1-CD1 4.27Å; F1449-L1482 HydrophobicContact CE1-CD2 3.97Å; F1449-K1485 HydrophobicContact CE2-CB 4.34Å; F1449-K1485 HydrophobicContact CE2-CG 4.18Å; F1449-K1485 HydrophobicContact CZ-CB 4.35Å; F1449-K1485 HydrophobicContact CZ-CG 4.04Å; F1449-H1489 HydrophobicContact CE2-CB 4.41Å; F1449-L1490 HydrophobicContact CZ-CB 4.43Å; F1449-L1490 HydrophobicContact CZ-CD1 3.82Å; F1449-Y1493 HydrophobicContact CB-CD2 4.22Å; F1449-Y1493 HydrophobicContact CB-CG 4.44Å; F1449-Y1493 AromaticContact CD1-CD1 3.93Å; F1449-Y1493 HydrophobicContact CD1-CD1 3.93Å; F1449-Y1493 HydrophobicContact CD1-CE1 4.29Å; F1449-Y1493 HydrophobicContact CD1-CG 4.14Å; F1449-Y1493 HydrophobicContact CD2-CG 4.05Å; F1449-Y1493 HydrophobicContact CE1-CD1 4.04Å; F1449-Y1493 HydrophobicContact CE1-CG 4.47Å; F1449-Y1493 HydrophobicContact CE2-CG 4.38Å; F1449-Y1493 HydrophobicContact CG-CD1 4.23Å; F1449-Y1493 HydrophobicContact CG-CD2 4.23Å; F1449-Y1493 AromaticContact CG-CG 3.96Å; F1449-Y1493 HydrophobicContact CG-CG 3.96Å; F1449-Y1493 HydrophobicContact CZ-CD1 4.43Å
1450	G	82.4	Confident	75.8	Confident	2 Å²	2	49.1 Å²	49.1	2%	0.021	24%	0.238	C	C	.	.			trans	-85.2	178	166.7	0	0	0	0	0	111.8	N1452 D1453 R1454	G1450-N1452 VanDerWaalsContact C-N 3.33Å; G1450-N1452 PolarHBondContact O-N 3.01Å; G1450-D1453 PolarHBondContact N-OD2 3.3Å; G1450-D1453 WeakPolarHBondContact O-CB 3.28Å; G1450-D1453 PolarHBondContact O-N 2.65Å; G1450-R1454 WeakPolarHBondContact O-CG 3.41Å; G1450-R1454 PolarHBondContact O-N 3.31Å; G1450-R1454 VanDerWaalsContact O-N 3.09Å
1451	P	80.5	Confident	76.9	Confident	38 Å²	38	43.7 Å²	43.7	25%	0.247	21%	0.213	C	C	.	.	H	α-helix	trans	-53.9	-45	-173.6	-24.4	32.6	0	0	0	113.6	E1443 D1453 R1454 Q1455	E1443-P1451 HydrophobicContact CB-CG 4.4Å; E1443-P1451 HydrophobicContact CG-CG 4.25Å; E1443-P1451 WeakPolarHBondContact OE2-CD 3.4Å; P1451-D1453 VanDerWaalsContact C-N 3.34Å; P1451-D1453 PolarHBondContact O-N 2.99Å; P1451-R1454 PolarHBondContact O-N 3.04Å; P1451-Q1455 PolarHBondContact O-N 2.97Å
1452	N	81.4	Confident	78.4	Confident	104 Å²	104	36.2 Å²	36.2	56%	0.556	19%	0.186	S	C	*	.	H	α-helix	trans	-62.9	-37.3	177.9	-68.1	-53.4	0	0	0	112.8	G1450 L1456	G1450-N1452 VanDerWaalsContact C-N 3.33Å; G1450-N1452 PolarHBondContact O-N 3.01Å; N1452-L1456 WeakPolarHBondContact O-CB 3.36Å; N1452-L1456 VanDerWaalsContact O-CG 3.25Å; N1452-L1456 WeakPolarHBondContact O-CG 3.38Å; N1452-L1456 PolarHBondContact O-N 3.17Å
1453	D	83.8	Confident	79.4	Confident	14 Å²	14	35.6 Å²	35.6	8%	0.075	18%	0.177	C	C	.	.	H	α-helix	trans	-68.8	-38.3	178	-55.9	-66.8	0	0	0	111.6	F1449 G1450 P1451 L1456 F1457 L1482 Y1484 K1485	F1449-D1453 HydrophobicContact CB-CB 4.04Å; F1449-D1453 HydrophobicContact CD1-CB 3.5Å; F1449-D1453 VanDerWaalsContact CD1-CB 3.5Å; F1449-D1453 HydrophobicContact CE1-CB 4.24Å; F1449-D1453 HydrophobicContact CG-CB 4.04Å; G1450-D1453 PolarHBondContact N-OD2 3.3Å; G1450-D1453 WeakPolarHBondContact O-CB 3.28Å; G1450-D1453 PolarHBondContact O-N 2.65Å; P1451-D1453 VanDerWaalsContact C-N 3.34Å; P1451-D1453 PolarHBondContact O-N 2.99Å; D1453-L1456 PolarHBondContact O-N 3.19Å; D1453-F1457 WeakPolarHBondContact O-CB 3.41Å; D1453-F1457 PolarHBondContact O-N 3.34Å; D1453-L1482 HydrophobicContact CB-CD2 3.83Å; D1453-Y1484 PolarHBondContact OD1-OH 3.47Å; D1453-Y1484 VanDerWaalsContact OD1-OH 3.14Å; D1453-K1485 WeakPolarHBondContact OD1-CE 3.39Å; D1453-K1485 IonicContact OD1-NZ 3.25Å; D1453-K1485 PolarHBondContact OD1-NZ 3.31Å; D1453-K1485 WeakPolarHBondContact OD2-CE 2.9Å; D1453-K1485 IonicContact OD2-NZ 3.64Å; D1453-K1485 PolarHBondContact OD2-NZ 3.36Å
1454	R	84.7	Confident	80.3	Confident	12 Å²	12	32.9 Å²	32.9	5%	0.045	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-42.1	177.5	-64.7	-167.2	-68.6	-100.6	8.5	111.4	L1444 F1449 G1450 P1451 F1457 N1458 Y1493 E1522	L1444-R1454 PolarHBondContact O-NH1 2.75Å; L1444-R1454 PolarHBondContact O-NH2 2.89Å; F1449-R1454 HydrophobicContact CB-CG 3.95Å; F1449-R1454 PolarHBondContact O-NH1 3.22Å; G1450-R1454 WeakPolarHBondContact O-CG 3.41Å; G1450-R1454 PolarHBondContact O-N 3.31Å; G1450-R1454 VanDerWaalsContact O-N 3.09Å; P1451-R1454 PolarHBondContact O-N 3.04Å; R1454-F1457 PolarHBondContact O-N 2.87Å; R1454-N1458 PolarHBondContact O-N 3.39Å; R1454-Y1493 WeakPolarHBondContact CB-OH 3.29Å; R1454-Y1493 WeakPolarHBondContact CD-OH 3.42Å; R1454-Y1493 HydrophobicContact CG-CE1 4.38Å; R1454-Y1493 HydrophobicContact CG-CE2 3.73Å; R1454-Y1493 VanDerWaalsContact CG-OH 3.31Å; R1454-Y1493 WeakPolarHBondContact CG-OH 3.17Å; R1454-E1522 WeakPolarHBondContact CB-OE2 3.16Å; R1454-E1522 IonicContact CZ-OE1 3.78Å; R1454-E1522 VanDerWaalsContact NE-CD 3.3Å; R1454-E1522 IonicContact NE-OE1 2.66Å; R1454-E1522 PolarHBondContact NE-OE1 3.42Å; R1454-E1522 IonicContact NE-OE2 2.69Å; R1454-E1522 PolarHBondContact NE-OE2 2.86Å; R1454-E1522 VanDerWaalsContact NE-OE2 3.15Å; R1454-E1522 IonicContact NH2-OE1 3.8Å; R1454-E1522 PolarHBondContact NH2-OE1 2.88Å
1455	Q	82.6	Confident	80.4	Confident	102 Å²	102	32 Å²	32	48%	0.477	16%	0.159	S	C	.	.	H	α-helix	trans	-65.2	-40.5	173.5	-163	-175.2	53.8	0	0	112.3	P1451 F1457 N1458 N1459	P1451-Q1455 PolarHBondContact O-N 2.97Å; Q1455-F1457 VanDerWaalsContact C-N 3.34Å; Q1455-F1457 PolarHBondContact O-N 2.99Å; Q1455-N1458 PolarHBondContact O-N 2.99Å; Q1455-N1459 WeakPolarHBondContact O-CB 3.49Å; Q1455-N1459 PolarHBondContact O-N 2.79Å; Q1455-N1459 PolarHBondContact O-ND2 2.54Å
1456	L	83.7	Confident	80.2	Confident	58 Å²	58	32.1 Å²	32.1	30%	0.304	16%	0.162	S	C	.	.	H	α-helix	trans	-61.6	-39.8	173.5	-77.8	167.2	0	0	0	112.4	N1452 D1453 N1459 A1460 A1481 L1482	N1452-L1456 WeakPolarHBondContact O-CB 3.36Å; N1452-L1456 VanDerWaalsContact O-CG 3.25Å; N1452-L1456 WeakPolarHBondContact O-CG 3.38Å; N1452-L1456 PolarHBondContact O-N 3.17Å; D1453-L1456 PolarHBondContact O-N 3.19Å; L1456-N1459 PolarHBondContact O-N 2.68Å; L1456-A1460 PolarHBondContact O-N 3.43Å; L1456-A1460 VanDerWaalsContact O-N 3.11Å; L1456-A1481 HydrophobicContact CD1-CB 3.79Å; L1456-L1482 HydrophobicContact CB-CD1 4.27Å; L1456-L1482 HydrophobicContact CB-CG 4.39Å
1457	F	84.9	Confident	79.9	Confident	5 Å²	5	32.4 Å²	32.4	2%	0.022	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-46	175.2	179	-89.4	0	0	0	112.1	D1453 R1454 Q1455 N1459 A1460 V1461 W1477 L1482 L1490 Y1493 V1494 Y1497	D1453-F1457 WeakPolarHBondContact O-CB 3.41Å; D1453-F1457 PolarHBondContact O-N 3.34Å; R1454-F1457 PolarHBondContact O-N 2.87Å; Q1455-F1457 VanDerWaalsContact C-N 3.34Å; Q1455-F1457 PolarHBondContact O-N 2.99Å; F1457-N1459 VanDerWaalsContact C-N 3.34Å; F1457-N1459 PolarHBondContact O-N 3.06Å; F1457-A1460 WeakPolarHBondContact O-CB 3.4Å; F1457-A1460 PolarHBondContact O-N 2.72Å; F1457-A1460 VanDerWaalsContact O-N 3.1Å; F1457-V1461 HydrophobicContact CD1-CG2 4.22Å; F1457-V1461 HydrophobicContact CE1-CG2 3.75Å; F1457-V1461 HydrophobicContact CZ-CG2 4.03Å; F1457-V1461 PolarHBondContact O-N 2.86Å; F1457-W1477 HydrophobicContact CD2-CH2 4.32Å; F1457-W1477 AromaticContact CE2-CH2 3.79Å; F1457-W1477 HydrophobicContact CE2-CH2 3.79Å; F1457-W1477 HydrophobicContact CE2-CZ3 4.22Å; F1457-W1477 HydrophobicContact CZ-CH2 4.29Å; F1457-L1482 HydrophobicContact CB-CD1 4.2Å; F1457-L1490 HydrophobicContact CD2-CD1 4.22Å; F1457-L1490 HydrophobicContact CE2-CD1 4.23Å; F1457-Y1493 HydrophobicContact CB-CE1 4.16Å; F1457-Y1493 HydrophobicContact CD1-CD1 4.23Å; F1457-Y1493 AromaticContact CD1-CE1 3.64Å; F1457-Y1493 HydrophobicContact CD1-CE1 3.64Å; F1457-Y1493 HydrophobicContact CD2-CD1 4.41Å; F1457-Y1493 HydrophobicContact CE1-CE1 4.16Å; F1457-Y1493 HydrophobicContact CG-CD1 4.18Å; F1457-Y1493 AromaticContact CG-CE1 3.85Å; F1457-Y1493 HydrophobicContact CG-CE1 3.85Å; F1457-V1494 HydrophobicContact CE2-CG2 3.53Å; F1457-V1494 HydrophobicContact CZ-CB 4.48Å; F1457-V1494 HydrophobicContact CZ-CG2 3.61Å; F1457-Y1497 AromaticContact CE1-CD1 3.75Å; F1457-Y1497 HydrophobicContact CE1-CD1 3.75Å; F1457-Y1497 HydrophobicContact CE1-CD2 4.31Å; F1457-Y1497 AromaticContact CE1-CE1 3.95Å; F1457-Y1497 HydrophobicContact CE1-CE1 3.95Å; F1457-Y1497 AromaticContact CE1-CG 3.92Å; F1457-Y1497 HydrophobicContact CE1-CG 3.92Å
1458	N	83.5	Confident	79.2	Confident	27 Å²	27	33.7 Å²	33.7	14%	0.144	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-46.9	174.3	-179.9	6	0	0	0	111.3	R1454 Q1455 A1460 V1461 M1462 L1524	R1454-N1458 PolarHBondContact O-N 3.39Å; Q1455-N1458 PolarHBondContact O-N 2.99Å; N1458-A1460 VanDerWaalsContact C-N 3.27Å; N1458-A1460 PolarHBondContact O-N 3.31Å; N1458-V1461 PolarHBondContact O-N 2.89Å; N1458-V1461 VanDerWaalsContact O-N 3.14Å; N1458-M1462 PolarHBondContact O-N 3.17Å; N1458-L1524 WeakPolarHBondContact ND2-CD1 3.37Å
1459	N	82.9	Confident	78	Confident	39 Å²	39	35 Å²	35	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-33.4	175.7	-75.6	-32.4	0	0	0	113.3	Q1455 L1456 F1457 R1463	Q1455-N1459 WeakPolarHBondContact O-CB 3.49Å; Q1455-N1459 PolarHBondContact O-N 2.79Å; Q1455-N1459 PolarHBondContact O-ND2 2.54Å; L1456-N1459 PolarHBondContact O-N 2.68Å; F1457-N1459 VanDerWaalsContact C-N 3.34Å; F1457-N1459 PolarHBondContact O-N 3.06Å; N1459-R1463 WeakPolarHBondContact O-CB 3.46Å; N1459-R1463 PolarHBondContact O-N 2.95Å; N1459-R1463 VanDerWaalsContact O-N 3.15Å
1460	A	80.6	Confident	76.8	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-45.3	173.6	0	0	0	0	0	112.1	L1456 F1457 N1458 M1462 R1463 F1464 W1477 P1479	L1456-A1460 PolarHBondContact O-N 3.43Å; L1456-A1460 VanDerWaalsContact O-N 3.11Å; F1457-A1460 WeakPolarHBondContact O-CB 3.4Å; F1457-A1460 PolarHBondContact O-N 2.72Å; F1457-A1460 VanDerWaalsContact O-N 3.1Å; N1458-A1460 VanDerWaalsContact C-N 3.27Å; N1458-A1460 PolarHBondContact O-N 3.31Å; A1460-M1462 VanDerWaalsContact C-N 3.34Å; A1460-M1462 PolarHBondContact O-N 3.29Å; A1460-R1463 PolarHBondContact O-N 2.9Å; A1460-F1464 PolarHBondContact O-N 3.1Å; A1460-W1477 HydrophobicContact CB-CH2 4.28Å; A1460-W1477 HydrophobicContact CB-CZ2 4.42Å; A1460-W1477 HydrophobicContact CB-CZ3 4.46Å; A1460-P1479 HydrophobicContact CB-CG 3.98Å
1461	V	81.8	Confident	74.9	Confident	1 Å²	1	44 Å²	44	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-42.7	175.4	175.2	0	0	0	0	111.2	F1457 N1458 R1463 G1465 W1477 Y1497 V1529 I1533	F1457-V1461 HydrophobicContact CD1-CG2 4.22Å; F1457-V1461 HydrophobicContact CE1-CG2 3.75Å; F1457-V1461 HydrophobicContact CZ-CG2 4.03Å; F1457-V1461 PolarHBondContact O-N 2.86Å; N1458-V1461 PolarHBondContact O-N 2.89Å; N1458-V1461 VanDerWaalsContact O-N 3.14Å; V1461-R1463 VanDerWaalsContact C-N 3.31Å; V1461-R1463 PolarHBondContact O-N 3.3Å; V1461-G1465 WeakPolarHBondContact O-CA 3.36Å; V1461-G1465 PolarHBondContact O-N 3.34Å; V1461-W1477 HydrophobicContact CG2-CH2 4.26Å; V1461-W1477 HydrophobicContact CG2-CZ2 4.09Å; V1461-Y1497 HydrophobicContact CG2-CE1 4.42Å; V1461-V1529 HydrophobicContact CG1-CG1 4.31Å; V1461-I1533 HydrophobicContact CG1-CD1 4.01Å; V1461-I1533 HydrophobicContact CG1-CG1 4.02Å
1462	M	81.4	Confident	73.5	Confident	25 Å²	25	45.5 Å²	45.5	12%	0.123	25%	0.25	C	C	.	.	H	α-helix	trans	-69.1	-25.7	178.1	-69.7	-60.9	-73.2	0	0	113.7	N1458 A1460 V1529 R1532 I1811	N1458-M1462 PolarHBondContact O-N 3.17Å; A1460-M1462 VanDerWaalsContact C-N 3.34Å; A1460-M1462 PolarHBondContact O-N 3.29Å; M1462-V1529 HydrophobicContact SD-CB 4.38Å; M1462-V1529 HydrophobicContact SD-CG2 3.89Å; M1462-R1532 HydrophobicContact CE-CB 4.21Å; M1462-R1532 HydrophobicContact CE-CG 4.36Å; M1462-R1532 WeakPolarHBondContact O-CD 3.39Å; M1462-R1532 WeakPolarHBondContact O-CG 3.22Å; M1462-R1532 PolarHBondContact O-NH1 3.17Å; M1462-R1532 HydrophobicContact SD-CB 4Å; M1462-R1532 HydrophobicContact SD-CG 4.07Å; M1462-I1811 HydrophobicContact CE-CD1 4.03Å; M1462-I1811 HydrophobicContact CE-CG1 3.99Å
1463	R	80.9	Confident	72.3	Confident	73 Å²	73	41.4 Å²	41.4	28%	0.275	23%	0.229	S	C	.	.	H	α-helix	trans	-84.8	-42	179.2	-180	176.8	175	-153.7	-4.1	113.7	N1459 A1460 V1461 H1629 G1630 Y1631	N1459-R1463 WeakPolarHBondContact O-CB 3.46Å; N1459-R1463 PolarHBondContact O-N 2.95Å; N1459-R1463 VanDerWaalsContact O-N 3.15Å; A1460-R1463 PolarHBondContact O-N 2.9Å; V1461-R1463 VanDerWaalsContact C-N 3.31Å; V1461-R1463 PolarHBondContact O-N 3.3Å; R1463-H1629 PolarHBondContact NE-O 3.16Å; R1463-H1629 VanDerWaalsContact NE-O 3.15Å; R1463-H1629 PolarHBondContact NH2-O 3.08Å; R1463-G1630 WeakPolarHBondContact O-CA 3.38Å; R1463-Y1631 PolarHBondContact O-N 2.88Å
1464	F	77.1	Confident	71.1	Confident	23 Å²	23	43.3 Å²	43.3	10%	0.101	24%	0.242	C	C	.	.	H	α-helix	trans	-120	-3.9	-169.5	-64.2	-66.6	0	0	0	114.5	A1460 D1476 W1477 R1540	A1460-F1464 PolarHBondContact O-N 3.1Å; F1464-D1476 VanDerWaalsContact CE2-O 3.28Å; F1464-D1476 WeakPolarHBondContact CE2-O 3.3Å; F1464-D1476 WeakPolarHBondContact CZ-O 3.47Å; F1464-W1477 HydrophobicContact CB-CG 4.42Å; F1464-W1477 HydrophobicContact CD2-CG 4.35Å; F1464-W1477 AromaticContact CG-CD1 3.95Å; F1464-R1540 PolarHBondContact O-NH2 2.96Å
1465	G	77	Confident	69.9	Low	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.			trans	67.2	-160.5	-165.4	0	0	0	0	0	111.5	V1461 W1477	V1461-G1465 WeakPolarHBondContact O-CA 3.36Å; V1461-G1465 PolarHBondContact O-N 3.34Å; G1465-W1477 PolarHBondContact O-NE1 3.24Å
1466	L	72.4	Confident	69	Low	43 Å²	43	51 Å²	51	23%	0.225	28%	0.283	C	S	.	.	S	Bend	trans	-66.2	147.8	179	-61.5	-178	0	0	0	112.1	M1498 I1533 R1540	L1466-M1498 HydrophobicContact CD1-CE 3.63Å; L1466-M1498 HydrophobicContact CD2-CE 3.33Å; L1466-M1498 HydrophobicContact CG-CE 4.1Å; L1466-I1533 HydrophobicContact CD1-CG2 3.75Å; L1466-I1533 HydrophobicContact CD2-CD1 3.77Å; L1466-I1533 HydrophobicContact CD2-CG1 4.02Å; L1466-I1533 HydrophobicContact CG-CD1 4.19Å; L1466-I1533 HydrophobicContact CG-CG1 4.03Å; L1466-I1533 HydrophobicContact CG-CG2 3.77Å; L1466-R1540 PolarHBondContact O-NH1 3.48Å; L1466-R1540 PolarHBondContact O-NH2 2.76Å
1467	P	65.9	Low	68.4	Low	12 Å²	12	48.8 Å²	48.8	8%	0.078	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-57.6	145.6	176.8	26.5	-34.9	0	0	0	110.1	W1416 P1473 W1477	W1416-P1467 HydrophobicContact CH2-CG 3.83Å; W1416-P1467 HydrophobicContact CZ2-CG 4.35Å; W1416-P1467 HydrophobicContact CZ3-CG 4Å; P1467-P1473 HydrophobicContact CB-CB 3.98Å; P1467-P1473 HydrophobicContact CB-CG 3.96Å; P1467-W1477 HydrophobicContact CB-CD2 4.07Å; P1467-W1477 HydrophobicContact CB-CE3 4.4Å; P1467-W1477 HydrophobicContact CB-CZ2 4.31Å; P1467-W1477 HydrophobicContact CG-CZ2 4.36Å
1468	P	60.1	Low	67.7	Low	44 Å²	44	49.6 Å²	49.6	29%	0.286	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-64	153.1	176.6	28	-33.8	0	0	0	110.7	G1470 P1474	P1468-G1470 PolarHBondContact O-N 3.41Å; P1468-P1474 VanDerWaalsContact CG-CD 3.44Å; P1468-P1474 HydrophobicContact CG-CG 3.61Å
1469	P	52	Low	67.2	Low	109 Å²	109	49.6 Å²	49.6	71%	0.708	28%	0.276	S	S	*	.	S	Bend	trans	-65.3	103.6	-168.3	25.4	-34.9	0	0	0	112.4
1470	G	53.3	Low	66.7	Low	34 Å²	34	52.3 Å²	52.3	35%	0.351	30%	0.296	S	S	.	.	S	Bend	trans	-165.5	-179.2	177.1	0	0	0	0	0	111.3	W1416 P1468	W1416-G1470 PolarHBondContact NE1-O 3.49Å; P1468-G1470 PolarHBondContact O-N 3.41Å
1471	I	42.7	Very low	66.4	Low	156 Å²	156	54.6 Å²	54.6	80%	0.8	32%	0.315	S	S	*	.	S	Bend	trans	-81	-28.3	175.5	-64.1	169.1	0	0	0	111.1
1472	V	51.3	Low	66.1	Low	71 Å²	71	54.7 Å²	54.7	43%	0.43	32%	0.315	S	S	.	.	S	Bend	trans	-129.5	128.2	-176.2	-172.1	0	0	0	0	107.7
1473	P	54.7	Low	65.8	Low	17 Å²	17	59.1 Å²	59.1	11%	0.11	33%	0.332	C	S	.	.			trans	-60.1	145.7	169.8	-20.1	32.3	0	0	0	110.4	P1467 W1477 L1478 L1490	P1467-P1473 HydrophobicContact CB-CB 3.98Å; P1467-P1473 HydrophobicContact CB-CG 3.96Å; P1473-W1477 HydrophobicContact CB-CB 4.18Å; P1473-W1477 HydrophobicContact CB-CD2 4.09Å; P1473-W1477 HydrophobicContact CB-CE3 3.62Å; P1473-W1477 HydrophobicContact CB-CG 4.33Å; P1473-W1477 HydrophobicContact CB-CZ3 4.42Å; P1473-W1477 HydrophobicContact CG-CE3 3.94Å; P1473-W1477 HydrophobicContact CG-CZ3 4.25Å; P1473-L1478 HydrophobicContact CB-CD1 4.19Å; P1473-L1478 HydrophobicContact CB-CG 4.29Å; P1473-L1478 HydrophobicContact CG-CD1 4.2Å; P1473-L1478 HydrophobicContact CG-CG 4.42Å; P1473-L1490 HydrophobicContact CG-CD2 4.29Å
1474	P	59.5	Low	65.5	Low	55 Å²	55	63.2 Å²	63.2	36%	0.357	35%	0.348	S	S	.	.			trans	-52.1	147.2	168.1	-24.4	34.1	0	0	0	110.4	P1468 D1476 W1477 L1478	P1468-P1474 VanDerWaalsContact CG-CD 3.44Å; P1468-P1474 HydrophobicContact CG-CG 3.61Å; P1474-D1476 PolarHBondContact O-N 2.92Å; P1474-D1476 VanDerWaalsContact O-N 3.12Å; P1474-W1477 WeakPolarHBondContact O-CB 3.47Å; P1474-W1477 PolarHBondContact O-N 2.92Å; P1474-L1478 PolarHBondContact O-N 3.38Å
1475	Q	59	Low	65.3	Low	144 Å²	144	63.4 Å²	63.4	67%	0.673	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-36	179.3	-72.7	-176.8	-14.7	0	0	111.1	W1477 L1478 Y1483	Q1475-W1477 PolarHBondContact O-N 3.34Å; Q1475-L1478 PolarHBondContact O-N 2.92Å; Q1475-L1478 VanDerWaalsContact O-O 3.09Å; Q1475-Y1483 PolarHBondContact O-OH 3.03Å; Q1475-Y1483 VanDerWaalsContact O-OH 3.14Å
1476	D	63.2	Low	65	Low	132 Å²	132	65.9 Å²	65.9	71%	0.706	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.7	178	-42.1	-70.3	0	0	0	114.5	F1464 P1474	F1464-D1476 VanDerWaalsContact CE2-O 3.28Å; F1464-D1476 WeakPolarHBondContact CE2-O 3.3Å; F1464-D1476 WeakPolarHBondContact CZ-O 3.47Å; P1474-D1476 PolarHBondContact O-N 2.92Å; P1474-D1476 VanDerWaalsContact O-N 3.12Å
1477	W	71.9	Confident	64.7	Low	10 Å²	10	70 Å²	70	4%	0.038	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-34.4	177.8	-172.9	94.6	0	0	0	112.2	F1457 A1460 V1461 F1464 G1465 P1467 P1473 P1474 Q1475	F1457-W1477 HydrophobicContact CD2-CH2 4.32Å; F1457-W1477 AromaticContact CE2-CH2 3.79Å; F1457-W1477 HydrophobicContact CE2-CH2 3.79Å; F1457-W1477 HydrophobicContact CE2-CZ3 4.22Å; F1457-W1477 HydrophobicContact CZ-CH2 4.29Å; A1460-W1477 HydrophobicContact CB-CH2 4.28Å; A1460-W1477 HydrophobicContact CB-CZ2 4.42Å; A1460-W1477 HydrophobicContact CB-CZ3 4.46Å; V1461-W1477 HydrophobicContact CG2-CH2 4.26Å; V1461-W1477 HydrophobicContact CG2-CZ2 4.09Å; F1464-W1477 HydrophobicContact CB-CG 4.42Å; F1464-W1477 HydrophobicContact CD2-CG 4.35Å; F1464-W1477 AromaticContact CG-CD1 3.95Å; G1465-W1477 PolarHBondContact O-NE1 3.24Å; P1467-W1477 HydrophobicContact CB-CD2 4.07Å; P1467-W1477 HydrophobicContact CB-CE3 4.4Å; P1467-W1477 HydrophobicContact CB-CZ2 4.31Å; P1467-W1477 HydrophobicContact CG-CZ2 4.36Å; P1473-W1477 HydrophobicContact CB-CB 4.18Å; P1473-W1477 HydrophobicContact CB-CD2 4.09Å; P1473-W1477 HydrophobicContact CB-CE3 3.62Å; P1473-W1477 HydrophobicContact CB-CG 4.33Å; P1473-W1477 HydrophobicContact CB-CZ3 4.42Å; P1473-W1477 HydrophobicContact CG-CE3 3.94Å; P1473-W1477 HydrophobicContact CG-CZ3 4.25Å; P1474-W1477 WeakPolarHBondContact O-CB 3.47Å; P1474-W1477 PolarHBondContact O-N 2.92Å; Q1475-W1477 PolarHBondContact O-N 3.34Å
1478	L	70.2	Confident	64.6	Low	22 Å²	22	74.1 Å²	74.1	12%	0.115	40%	0.401	C	S	.	.	S	Bend	trans	-80.8	130.1	-179.1	-93.3	159.7	0	0	0	110.9	P1473 P1474 Q1475 L1482 Y1483 L1490	P1473-L1478 HydrophobicContact CB-CD1 4.19Å; P1473-L1478 HydrophobicContact CB-CG 4.29Å; P1473-L1478 HydrophobicContact CG-CD1 4.2Å; P1473-L1478 HydrophobicContact CG-CG 4.42Å; P1474-L1478 PolarHBondContact O-N 3.38Å; Q1475-L1478 PolarHBondContact O-N 2.92Å; Q1475-L1478 VanDerWaalsContact O-O 3.09Å; L1478-L1482 HydrophobicContact CD2-CB 3.93Å; L1478-L1482 HydrophobicContact CD2-CD1 4.46Å; L1478-Y1483 HydrophobicContact CB-CD1 4.03Å; L1478-Y1483 HydrophobicContact CB-CE1 3.75Å; L1478-Y1483 WeakPolarHBondContact O-CE1 3.49Å; L1478-L1490 HydrophobicContact CD1-CD2 3.99Å; L1478-L1490 HydrophobicContact CD2-CD1 4.26Å; L1478-L1490 HydrophobicContact CD2-CD2 3.99Å; L1478-L1490 HydrophobicContact CG-CD2 4.48Å
1479	P	73.6	Confident	65.3	Low	27 Å²	27	73.9 Å²	73.9	18%	0.175	40%	0.396	C	S	.	.			trans	-55.8	137	164.9	-24.1	33.6	0	0	0	110.6	A1460 A1481 L1482	A1460-P1479 HydrophobicContact CB-CG 3.98Å; P1479-A1481 PolarHBondContact O-N 3.12Å; P1479-A1481 VanDerWaalsContact O-N 3.08Å; P1479-L1482 HydrophobicContact CB-CG 4.48Å; P1479-L1482 HydrophobicContact CG-CD1 4.21Å; P1479-L1482 PolarHBondContact O-N 2.91Å
1480	P	73.1	Confident	66.3	Low	97 Å²	97	69.6 Å²	69.6	63%	0.63	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-55.7	-30	176.9	-28.8	36	0	0	0	113.5	L1482 Y1483	P1480-L1482 PolarHBondContact O-N 2.87Å; P1480-Y1483 HydrophobicContact CB-CD2 4.36Å; P1480-Y1483 HydrophobicContact CB-CE2 4.17Å; P1480-Y1483 HydrophobicContact CG-CE2 4.49Å; P1480-Y1483 WeakPolarHBondContact O-CB 3.46Å; P1480-Y1483 PolarHBondContact O-N 3.07Å
1481	A	73.6	Confident	67	Low	51 Å²	51	71.1 Å²	71.1	42%	0.421	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-69	-3.8	173.9	0	0	0	0	0	114.8	L1456 P1479 Y1484	L1456-A1481 HydrophobicContact CD1-CB 3.79Å; P1479-A1481 PolarHBondContact O-N 3.12Å; P1479-A1481 VanDerWaalsContact O-N 3.08Å; A1481-Y1484 WeakPolarHBondContact O-CE1 3.33Å
1482	L	75.7	Confident	68.4	Low	4 Å²	4	64.2 Å²	64.2	2%	0.021	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-111	-3.5	171.9	-65.8	-178.7	0	0	0	113.2	F1449 D1453 L1456 F1457 L1478 P1479 P1480 Y1484 K1485	F1449-L1482 HydrophobicContact CE1-CD1 4.27Å; F1449-L1482 HydrophobicContact CE1-CD2 3.97Å; D1453-L1482 HydrophobicContact CB-CD2 3.83Å; L1456-L1482 HydrophobicContact CB-CD1 4.27Å; L1456-L1482 HydrophobicContact CB-CG 4.39Å; F1457-L1482 HydrophobicContact CB-CD1 4.2Å; L1478-L1482 HydrophobicContact CD2-CB 3.93Å; L1478-L1482 HydrophobicContact CD2-CD1 4.46Å; P1479-L1482 HydrophobicContact CB-CG 4.48Å; P1479-L1482 HydrophobicContact CG-CD1 4.21Å; P1479-L1482 PolarHBondContact O-N 2.91Å; P1480-L1482 PolarHBondContact O-N 2.87Å; L1482-Y1484 PolarHBondContact O-N 2.79Å; L1482-Y1484 VanDerWaalsContact O-N 3.09Å; L1482-K1485 HydrophobicContact CD2-CG 4.18Å; L1482-K1485 PolarHBondContact O-N 2.87Å; L1482-K1485 VanDerWaalsContact O-N 3.1Å
1483	Y	74.3	Confident	69.7	Low	118 Å²	118	61.7 Å²	61.7	46%	0.463	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.6	-179.6	-71.4	-1.1	0	0	0	114.2	Q1475 L1478 P1480	Q1475-Y1483 PolarHBondContact O-OH 3.03Å; Q1475-Y1483 VanDerWaalsContact O-OH 3.14Å; L1478-Y1483 HydrophobicContact CB-CD1 4.03Å; L1478-Y1483 HydrophobicContact CB-CE1 3.75Å; L1478-Y1483 WeakPolarHBondContact O-CE1 3.49Å; P1480-Y1483 HydrophobicContact CB-CD2 4.36Å; P1480-Y1483 HydrophobicContact CB-CE2 4.17Å; P1480-Y1483 HydrophobicContact CG-CE2 4.49Å; P1480-Y1483 WeakPolarHBondContact O-CB 3.46Å; P1480-Y1483 PolarHBondContact O-N 3.07Å
1484	Y	75.4	Confident	70.7	Confident	158 Å²	158	61.5 Å²	61.5	62%	0.62	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.7	179.6	75.2	-94.5	0	0	0	113.9	D1453 A1481 L1482	D1453-Y1484 PolarHBondContact OD1-OH 3.47Å; D1453-Y1484 VanDerWaalsContact OD1-OH 3.14Å; A1481-Y1484 WeakPolarHBondContact O-CE1 3.33Å; L1482-Y1484 PolarHBondContact O-N 2.79Å; L1482-Y1484 VanDerWaalsContact O-N 3.09Å
1485	K	73.1	Confident	71.3	Confident	28 Å²	28	59.5 Å²	59.5	12%	0.122	30%	0.3	C	S	.	.	S	Bend	trans	-74.9	142.7	174.9	-56.3	-60.8	-169.7	-172.3	0	109.6	N1448 F1449 D1453 L1482	N1448-K1485 PolarHBondContact O-NZ 3.19Å; F1449-K1485 HydrophobicContact CE2-CB 4.34Å; F1449-K1485 HydrophobicContact CE2-CG 4.18Å; F1449-K1485 HydrophobicContact CZ-CB 4.35Å; F1449-K1485 HydrophobicContact CZ-CG 4.04Å; D1453-K1485 WeakPolarHBondContact OD1-CE 3.39Å; D1453-K1485 IonicContact OD1-NZ 3.25Å; D1453-K1485 PolarHBondContact OD1-NZ 3.31Å; D1453-K1485 WeakPolarHBondContact OD2-CE 2.9Å; D1453-K1485 IonicContact OD2-NZ 3.64Å; D1453-K1485 PolarHBondContact OD2-NZ 3.36Å; L1482-K1485 HydrophobicContact CD2-CG 4.18Å; L1482-K1485 PolarHBondContact O-N 2.87Å; L1482-K1485 VanDerWaalsContact O-N 3.1Å
1486	S	70	Confident	72.1	Confident	52 Å²	52	52.8 Å²	52.8	36%	0.364	27%	0.268	S	S	.	.			trans	-66.6	148.7	176	83.5	0	0	0	0	110.9	F1488 H1489 L1490	S1486-F1488 PolarHBondContact O-N 3.48Å; S1486-H1489 PolarHBondContact O-N 2.8Å; S1486-H1489 VanDerWaalsContact O-N 3.11Å; S1486-H1489 WeakPolarHBondContact OG-CB 3.36Å; S1486-H1489 PolarHBondContact OG-N 3.46Å; S1486-H1489 PolarHBondContact OG-ND1 3.2Å; S1486-L1490 PolarHBondContact O-N 3.45Å
1487	Q	65.2	Low	73	Confident	129 Å²	129	47 Å²	47	60%	0.603	24%	0.237	S	C	*	.	H	α-helix	trans	-59.3	-34.3	177.6	-65.3	177.9	0.7	0	0	111.8	F1491	Q1487-F1491 VanDerWaalsContact O-CB 3.29Å; Q1487-F1491 WeakPolarHBondContact O-CB 3.5Å; Q1487-F1491 PolarHBondContact O-N 3.06Å
1488	F	65.1	Low	73.2	Confident	99 Å²	99	47.3 Å²	47.3	43%	0.434	24%	0.239	S	C	.	.	H	α-helix	trans	-64	-45.4	174.5	-177.6	-94.6	0	0	0	112.1	Y1447 S1486 F1491 G1492	Y1447-F1488 HydrophobicContact CE1-CE1 4.49Å; S1486-F1488 PolarHBondContact O-N 3.48Å; F1488-F1491 PolarHBondContact O-N 3.02Å; F1488-G1492 PolarHBondContact O-N 2.81Å
1489	H	73.8	Confident	73.4	Confident	39 Å²	39	49 Å²	49	18%	0.181	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-44.9	176.9	-71.5	164.2	0	0	0	112.4	Y1447 N1448 F1449 S1486 F1491 G1492 Y1493	Y1447-H1489 VanDerWaalsContact O-CB 3.25Å; Y1447-H1489 WeakPolarHBondContact O-CB 3.38Å; Y1447-H1489 VanDerWaalsContact O-CG 3.3Å; N1448-H1489 PolarHBondContact ND2-CE1 3.15Å; F1449-H1489 HydrophobicContact CE2-CB 4.41Å; S1486-H1489 PolarHBondContact O-N 2.8Å; S1486-H1489 VanDerWaalsContact O-N 3.11Å; S1486-H1489 WeakPolarHBondContact OG-CB 3.36Å; S1486-H1489 PolarHBondContact OG-N 3.46Å; S1486-H1489 PolarHBondContact OG-ND1 3.2Å; H1489-F1491 PolarHBondContact O-N 3.43Å; H1489-G1492 PolarHBondContact O-N 3.38Å; H1489-Y1493 WeakPolarHBondContact O-CB 3.27Å; H1489-Y1493 PolarHBondContact O-N 3.11Å
1490	L	73	Confident	73.7	Confident	18 Å²	18	48.2 Å²	48.2	9%	0.094	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-47.1	175.1	179.1	66.2	0	0	0	111	F1449 F1457 P1473 L1478 S1486 Y1493 V1494	F1449-L1490 HydrophobicContact CZ-CB 4.43Å; F1449-L1490 HydrophobicContact CZ-CD1 3.82Å; F1457-L1490 HydrophobicContact CD2-CD1 4.22Å; F1457-L1490 HydrophobicContact CE2-CD1 4.23Å; P1473-L1490 HydrophobicContact CG-CD2 4.29Å; L1478-L1490 HydrophobicContact CD1-CD2 3.99Å; L1478-L1490 HydrophobicContact CD2-CD1 4.26Å; L1478-L1490 HydrophobicContact CD2-CD2 3.99Å; L1478-L1490 HydrophobicContact CG-CD2 4.48Å; S1486-L1490 PolarHBondContact O-N 3.45Å; L1490-Y1493 PolarHBondContact O-N 3.47Å; L1490-V1494 HydrophobicContact CD1-CG2 4.37Å; L1490-V1494 HydrophobicContact CG-CG2 4.48Å; L1490-V1494 WeakPolarHBondContact O-CB 3.18Å; L1490-V1494 WeakPolarHBondContact O-CG2 3.42Å; L1490-V1494 PolarHBondContact O-N 2.95Å
1491	F	68.8	Low	74	Confident	67 Å²	67	43.8 Å²	43.8	29%	0.294	21%	0.21	S	C	.	.	H	α-helix	trans	-64.4	-42	178.7	-177.4	-95	0	0	0	112.8	L1414 Q1487 F1488 H1489 V1494 C1495	L1414-F1491 HydrophobicContact CD2-CZ 4.32Å; Q1487-F1491 VanDerWaalsContact O-CB 3.29Å; Q1487-F1491 WeakPolarHBondContact O-CB 3.5Å; Q1487-F1491 PolarHBondContact O-N 3.06Å; F1488-F1491 PolarHBondContact O-N 3.02Å; H1489-F1491 PolarHBondContact O-N 3.43Å; F1491-V1494 PolarHBondContact O-N 3.24Å; F1491-C1495 VanDerWaalsContact CE1-SG 3.6Å; F1491-C1495 PolarHBondContact O-N 2.97Å; F1491-C1495 PolarHBondContact O-SG 2.6Å
1492	G	70.9	Confident	73.9	Confident	10 Å²	10	45.6 Å²	45.6	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-47	175.3	0	0	0	0	0	112.3	F1488 H1489 C1495 L1496	F1488-G1492 PolarHBondContact O-N 2.81Å; H1489-G1492 PolarHBondContact O-N 3.38Å; G1492-C1495 PolarHBondContact O-N 3.24Å; G1492-L1496 PolarHBondContact O-N 3.18Å; G1492-L1496 VanDerWaalsContact O-N 3.08Å
1493	Y	79.8	Confident	73.7	Confident	18 Å²	18	49 Å²	49	7%	0.071	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-41.6	176.5	-174.4	-103.5	0	0	0	112.7	F1449 R1454 F1457 H1489 L1490 C1495 L1496 Y1497	F1449-Y1493 HydrophobicContact CB-CD2 4.22Å; F1449-Y1493 HydrophobicContact CB-CG 4.44Å; F1449-Y1493 AromaticContact CD1-CD1 3.93Å; F1449-Y1493 HydrophobicContact CD1-CD1 3.93Å; F1449-Y1493 HydrophobicContact CD1-CE1 4.29Å; F1449-Y1493 HydrophobicContact CD1-CG 4.14Å; F1449-Y1493 HydrophobicContact CD2-CG 4.05Å; F1449-Y1493 HydrophobicContact CE1-CD1 4.04Å; F1449-Y1493 HydrophobicContact CE1-CG 4.47Å; F1449-Y1493 HydrophobicContact CE2-CG 4.38Å; F1449-Y1493 HydrophobicContact CG-CD1 4.23Å; F1449-Y1493 HydrophobicContact CG-CD2 4.23Å; F1449-Y1493 AromaticContact CG-CG 3.96Å; F1449-Y1493 HydrophobicContact CG-CG 3.96Å; F1449-Y1493 HydrophobicContact CZ-CD1 4.43Å; R1454-Y1493 WeakPolarHBondContact CB-OH 3.29Å; R1454-Y1493 WeakPolarHBondContact CD-OH 3.42Å; R1454-Y1493 HydrophobicContact CG-CE1 4.38Å; R1454-Y1493 HydrophobicContact CG-CE2 3.73Å; R1454-Y1493 VanDerWaalsContact CG-OH 3.31Å; R1454-Y1493 WeakPolarHBondContact CG-OH 3.17Å; F1457-Y1493 HydrophobicContact CB-CE1 4.16Å; F1457-Y1493 HydrophobicContact CD1-CD1 4.23Å; F1457-Y1493 AromaticContact CD1-CE1 3.64Å; F1457-Y1493 HydrophobicContact CD1-CE1 3.64Å; F1457-Y1493 HydrophobicContact CD2-CD1 4.41Å; F1457-Y1493 HydrophobicContact CE1-CE1 4.16Å; F1457-Y1493 HydrophobicContact CG-CD1 4.18Å; F1457-Y1493 AromaticContact CG-CE1 3.85Å; F1457-Y1493 HydrophobicContact CG-CE1 3.85Å; H1489-Y1493 WeakPolarHBondContact O-CB 3.27Å; H1489-Y1493 PolarHBondContact O-N 3.11Å; L1490-Y1493 PolarHBondContact O-N 3.47Å; Y1493-C1495 VanDerWaalsContact C-N 3.35Å; Y1493-C1495 PolarHBondContact O-N 3.02Å; Y1493-L1496 PolarHBondContact O-N 3.29Å; Y1493-Y1497 WeakPolarHBondContact O-CB 3.37Å; Y1493-Y1497 PolarHBondContact O-N 3.27Å
1494	V	75.5	Confident	73.7	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-43.2	174.6	170.9	0	0	0	0	111.7	W1416 F1457 L1490 F1491 M1498	W1416-V1494 HydrophobicContact CH2-CG1 3.89Å; W1416-V1494 HydrophobicContact CZ3-CG1 3.73Å; F1457-V1494 HydrophobicContact CE2-CG2 3.53Å; F1457-V1494 HydrophobicContact CZ-CB 4.48Å; F1457-V1494 HydrophobicContact CZ-CG2 3.61Å; L1490-V1494 HydrophobicContact CD1-CG2 4.37Å; L1490-V1494 HydrophobicContact CG-CG2 4.48Å; L1490-V1494 WeakPolarHBondContact O-CB 3.18Å; L1490-V1494 WeakPolarHBondContact O-CG2 3.42Å; L1490-V1494 PolarHBondContact O-N 2.95Å; F1491-V1494 PolarHBondContact O-N 3.24Å; V1494-M1498 WeakPolarHBondContact O-CB 3.29Å; V1494-M1498 WeakPolarHBondContact O-CG 3.34Å; V1494-M1498 PolarHBondContact O-N 2.69Å
1495	C	71.4	Confident	73.6	Confident	14 Å²	14	41 Å²	41	10%	0.095	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-37.5	178.1	-68.1	0	0	0	0	112.3	F1491 G1492 Y1493 K1499	F1491-C1495 VanDerWaalsContact CE1-SG 3.6Å; F1491-C1495 PolarHBondContact O-N 2.97Å; F1491-C1495 PolarHBondContact O-SG 2.6Å; G1492-C1495 PolarHBondContact O-N 3.24Å; Y1493-C1495 VanDerWaalsContact C-N 3.35Å; Y1493-C1495 PolarHBondContact O-N 3.02Å; C1495-K1499 PolarHBondContact O-N 2.71Å
1496	L	77.5	Confident	73.8	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-50.1	175.9	-178.2	62.3	0	0	0	111.5	L1433 I1446 G1492 Y1493 M1498 K1499 H1500 L1519	L1433-L1496 HydrophobicContact CD2-CD1 4.14Å; L1433-L1496 HydrophobicContact CD2-CD2 4.35Å; I1446-L1496 HydrophobicContact CG2-CD2 3.6Å; G1492-L1496 PolarHBondContact O-N 3.18Å; G1492-L1496 VanDerWaalsContact O-N 3.08Å; Y1493-L1496 PolarHBondContact O-N 3.29Å; L1496-M1498 VanDerWaalsContact C-N 3.25Å; L1496-M1498 PolarHBondContact O-N 2.91Å; L1496-K1499 WeakPolarHBondContact O-CA 3.42Å; L1496-K1499 WeakPolarHBondContact O-CB 3.49Å; L1496-K1499 PolarHBondContact O-N 2.83Å; L1496-H1500 PolarHBondContact O-N 3.08Å; L1496-H1500 PolarHBondContact O-ND1 3.06Å; L1496-L1519 HydrophobicContact CD1-CD1 4.43Å; L1496-L1519 HydrophobicContact CD2-CD1 3.89Å
1497	Y	81.4	Confident	73.7	Confident	12 Å²	12	43.7 Å²	43.7	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-38	176.1	-175.7	-98	0	0	0	112.3	F1457 V1461 Y1493 H1500 L1501 L1524	F1457-Y1497 AromaticContact CE1-CD1 3.75Å; F1457-Y1497 HydrophobicContact CE1-CD1 3.75Å; F1457-Y1497 HydrophobicContact CE1-CD2 4.31Å; F1457-Y1497 AromaticContact CE1-CE1 3.95Å; F1457-Y1497 HydrophobicContact CE1-CE1 3.95Å; F1457-Y1497 AromaticContact CE1-CG 3.92Å; F1457-Y1497 HydrophobicContact CE1-CG 3.92Å; V1461-Y1497 HydrophobicContact CG2-CE1 4.42Å; Y1493-Y1497 WeakPolarHBondContact O-CB 3.37Å; Y1493-Y1497 PolarHBondContact O-N 3.27Å; Y1497-H1500 PolarHBondContact O-N 3.47Å; Y1497-L1501 HydrophobicContact CD1-CD1 3.88Å; Y1497-L1501 HydrophobicContact CE1-CD1 3.54Å; Y1497-L1501 HydrophobicContact CE1-CG 4.38Å; Y1497-L1501 WeakPolarHBondContact O-CG 3.46Å; Y1497-L1501 PolarHBondContact O-N 3.47Å; Y1497-L1501 VanDerWaalsContact O-N 3.1Å; Y1497-L1524 HydrophobicContact CE2-CD1 4.32Å; Y1497-L1524 HydrophobicContact CE2-CD2 3.86Å
1498	M	75.9	Confident	74	Confident	15 Å²	15	43.4 Å²	43.4	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-42.6	172.5	-77.6	-67.1	-179.3	0	0	113.1	L1466 V1494 L1496 H1500 L1501 Y1502	L1466-M1498 HydrophobicContact CD1-CE 3.63Å; L1466-M1498 HydrophobicContact CD2-CE 3.33Å; L1466-M1498 HydrophobicContact CG-CE 4.1Å; V1494-M1498 WeakPolarHBondContact O-CB 3.29Å; V1494-M1498 WeakPolarHBondContact O-CG 3.34Å; V1494-M1498 PolarHBondContact O-N 2.69Å; L1496-M1498 VanDerWaalsContact C-N 3.25Å; L1496-M1498 PolarHBondContact O-N 2.91Å; M1498-H1500 VanDerWaalsContact C-N 3.3Å; M1498-H1500 PolarHBondContact O-N 3.17Å; M1498-L1501 PolarHBondContact O-N 3.18Å; M1498-Y1502 WeakPolarHBondContact O-CD2 3.36Å; M1498-Y1502 PolarHBondContact O-N 3.08Å; M1498-Y1502 HydrophobicContact SD-CD2 4.2Å; M1498-Y1502 HydrophobicContact SD-CE2 3.84Å
1499	K	73.3	Confident	74.1	Confident	59 Å²	59	42.3 Å²	42.3	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-58.4	-44	174	171	-177.6	163.9	-112	0	110.8	V1430 C1495 L1496 Y1502 D1503 D1517	V1430-K1499 HydrophobicContact CG1-CD 3.8Å; C1495-K1499 PolarHBondContact O-N 2.71Å; L1496-K1499 WeakPolarHBondContact O-CA 3.42Å; L1496-K1499 WeakPolarHBondContact O-CB 3.49Å; L1496-K1499 PolarHBondContact O-N 2.83Å; K1499-Y1502 PolarHBondContact O-N 2.86Å; K1499-D1503 HydrophobicContact CG-CB 4.3Å; K1499-D1503 PolarHBondContact O-N 2.95Å; K1499-D1517 IonicContact NZ-OD2 2.58Å; K1499-D1517 PolarHBondContact NZ-OD2 3.14Å
1500	H	80.9	Confident	73.8	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.046	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-45.1	177.6	-70.1	140	0	0	0	112.9	L1496 Y1497 M1498 Y1502 D1504 W1515 D1517	L1496-H1500 PolarHBondContact O-N 3.08Å; L1496-H1500 PolarHBondContact O-ND1 3.06Å; Y1497-H1500 PolarHBondContact O-N 3.47Å; M1498-H1500 VanDerWaalsContact C-N 3.3Å; M1498-H1500 PolarHBondContact O-N 3.17Å; H1500-Y1502 PolarHBondContact O-N 3.39Å; H1500-D1504 IonicContact CD2-OD2 3.81Å; H1500-D1504 VanDerWaalsContact O-CB 3.31Å; H1500-D1504 WeakPolarHBondContact O-CB 3.17Å; H1500-W1515 HydrophobicContact CB-CD2 3.73Å; H1500-W1515 HydrophobicContact CB-CE3 3.77Å; H1500-W1515 HydrophobicContact CB-CG 4.41Å; H1500-W1515 HydrophobicContact CB-CH2 3.82Å; H1500-W1515 HydrophobicContact CB-CZ2 3.79Å; H1500-W1515 HydrophobicContact CB-CZ3 3.81Å; H1500-W1515 AromaticContact CD2-CD1 3.87Å; H1500-W1515 AromaticContact CD2-CD2 3.58Å; H1500-W1515 AromaticContact CD2-CE3 4Å; H1500-W1515 AromaticContact CD2-CG 3.39Å; H1500-W1515 AromaticContact CE1-CD1 3.82Å; H1500-W1515 AromaticContact CG-CD2 3.67Å; H1500-W1515 AromaticContact CG-CE2 3.81Å; H1500-W1515 AromaticContact CG-CG 3.82Å; H1500-W1515 AromaticContact ND1-NE1 3.99Å; H1500-W1515 AromaticContact NE2-CD1 3.75Å; H1500-W1515 AromaticContact NE2-CG 3.58Å; H1500-W1515 VanDerWaalsContact O-CZ3 3.26Å; H1500-W1515 WeakPolarHBondContact O-CZ3 3.43Å; H1500-D1517 IonicContact CD2-OD1 3Å; H1500-D1517 IonicContact CD2-OD2 3.99Å; H1500-D1517 IonicContact CE1-OD1 2.76Å; H1500-D1517 IonicContact NE2-OD1 3.31Å; H1500-D1517 PolarHBondContact NE2-OD1 2.89Å; H1500-D1517 IonicContact NE2-OD2 2.69Å; H1500-D1517 PolarHBondContact NE2-OD2 2.8Å; H1500-D1517 VanDerWaalsContact NE2-OD2 3.13Å
1501	L	78.5	Confident	73.6	Confident	3 Å²	3	53 Å²	53	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-35.5	178.1	-71.6	174.8	0	0	0	113.8	Y1497 M1498 L1524 V1526 V1529	Y1497-L1501 HydrophobicContact CD1-CD1 3.88Å; Y1497-L1501 HydrophobicContact CE1-CD1 3.54Å; Y1497-L1501 HydrophobicContact CE1-CG 4.38Å; Y1497-L1501 WeakPolarHBondContact O-CG 3.46Å; Y1497-L1501 PolarHBondContact O-N 3.47Å; Y1497-L1501 VanDerWaalsContact O-N 3.1Å; M1498-L1501 PolarHBondContact O-N 3.18Å; L1501-L1524 HydrophobicContact CD2-CD2 4.11Å; L1501-V1526 HydrophobicContact CD2-CB 4.39Å; L1501-V1526 HydrophobicContact CD2-CG1 3.9Å; L1501-V1526 HydrophobicContact CD2-CG2 4.12Å; L1501-V1529 HydrophobicContact CD1-CG1 4.15Å; L1501-V1529 HydrophobicContact CD2-CG1 4.22Å
1502	Y	72	Confident	73.7	Confident	90 Å²	90	54 Å²	54	35%	0.353	28%	0.277	S	S	.	.	H	α-helix	trans	-100.9	-52	-172.7	-78.4	-82.8	0	0	0	114.8	M1498 K1499 H1500 R1507	M1498-Y1502 WeakPolarHBondContact O-CD2 3.36Å; M1498-Y1502 PolarHBondContact O-N 3.08Å; M1498-Y1502 HydrophobicContact SD-CD2 4.2Å; M1498-Y1502 HydrophobicContact SD-CE2 3.84Å; K1499-Y1502 PolarHBondContact O-N 2.86Å; H1500-Y1502 PolarHBondContact O-N 3.39Å; Y1502-R1507 PolarHBondContact O-NH1 3.42Å
1503	D	71.8	Confident	73.7	Confident	76 Å²	76	58.9 Å²	58.9	41%	0.406	30%	0.297	S	S	.	.	H	α-helix	trans	-97.5	-9.6	-165.1	-81.5	12.2	0	0	0	113.3	R1427 K1499	R1427-D1503 IonicContact CZ-OD2 2.99Å; R1427-D1503 IonicContact NE-OD2 3.39Å; R1427-D1503 PolarHBondContact NE-OD2 3.05Å; R1427-D1503 IonicContact NH2-OD2 3.38Å; R1427-D1503 PolarHBondContact NH2-OD2 3.42Å; K1499-D1503 HydrophobicContact CG-CB 4.3Å; K1499-D1503 PolarHBondContact O-N 2.95Å
1504	D	74.9	Confident	73.5	Confident	5 Å²	5	60 Å²	60	3%	0.027	31%	0.308	C	S	.	.			trans	-82.4	131.1	-171.8	-161.8	-71.9	0	0	0	114	H1500 N1506 R1507 W1515 S1516	H1500-D1504 IonicContact CD2-OD2 3.81Å; H1500-D1504 VanDerWaalsContact O-CB 3.31Å; H1500-D1504 WeakPolarHBondContact O-CB 3.17Å; D1504-N1506 VanDerWaalsContact C-N 3.33Å; D1504-N1506 PolarHBondContact O-N 3.11Å; D1504-N1506 WeakPolarHBondContact OD1-CA 3.46Å; D1504-N1506 WeakPolarHBondContact OD1-CB 3.41Å; D1504-N1506 PolarHBondContact OD1-N 3.32Å; D1504-R1507 HydrophobicContact CB-CB 4.4Å; D1504-R1507 VanDerWaalsContact O-CB 3.3Å; D1504-R1507 WeakPolarHBondContact O-CB 3.15Å; D1504-R1507 VanDerWaalsContact O-CD 3.29Å; D1504-R1507 WeakPolarHBondContact O-CD 3.46Å; D1504-R1507 WeakPolarHBondContact O-CG 3.31Å; D1504-R1507 PolarHBondContact O-N 3.45Å; D1504-W1515 HydrophobicContact CB-CE3 4.01Å; D1504-W1515 HydrophobicContact CB-CZ3 4.37Å; D1504-S1516 VanDerWaalsContact CG-OG 3.26Å; D1504-S1516 PolarHBondContact OD1-N 3.44Å; D1504-S1516 VanDerWaalsContact OD2-CB 3.3Å; D1504-S1516 WeakPolarHBondContact OD2-CB 3.5Å; D1504-S1516 PolarHBondContact OD2-N 2.74Å; D1504-S1516 PolarHBondContact OD2-OG 2.67Å
1505	P	73.6	Confident	73.6	Confident	103 Å²	103	60.1 Å²	60.1	67%	0.669	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65.7	-30.8	178.3	27.3	-35.7	0	0	0	113.5	R1507	P1505-R1507 PolarHBondContact O-N 3.17Å
1506	N	76	Confident	73.7	Confident	31 Å²	31	62.6 Å²	62.6	17%	0.166	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-80.6	-2.5	-177.9	-68.1	7.4	0	0	0	112.6	D1504 L1508 D1509 E1512 S1514 K1521	D1504-N1506 VanDerWaalsContact C-N 3.33Å; D1504-N1506 PolarHBondContact O-N 3.11Å; D1504-N1506 WeakPolarHBondContact OD1-CA 3.46Å; D1504-N1506 WeakPolarHBondContact OD1-CB 3.41Å; D1504-N1506 PolarHBondContact OD1-N 3.32Å; N1506-L1508 PolarHBondContact O-N 3.42Å; N1506-D1509 PolarHBondContact O-N 3.39Å; N1506-E1512 HydrophobicContact CB-CB 4.35Å; N1506-E1512 PolarHBondContact ND2-OE2 3.17Å; N1506-S1514 PolarHBondContact ND2-O 3.35Å; N1506-K1521 WeakPolarHBondContact O-CE 3.38Å; N1506-K1521 PolarHBondContact O-NZ 3Å
1507	R	69.1	Low	73.4	Confident	104 Å²	104	65.3 Å²	65.3	39%	0.392	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-59.7	-20.1	-169.8	76.7	-171.5	-176.6	-179.1	3	115.9	Y1502 D1504 P1505 W1515 V1526	Y1502-R1507 PolarHBondContact O-NH1 3.42Å; D1504-R1507 HydrophobicContact CB-CB 4.4Å; D1504-R1507 VanDerWaalsContact O-CB 3.3Å; D1504-R1507 WeakPolarHBondContact O-CB 3.15Å; D1504-R1507 VanDerWaalsContact O-CD 3.29Å; D1504-R1507 WeakPolarHBondContact O-CD 3.46Å; D1504-R1507 WeakPolarHBondContact O-CG 3.31Å; D1504-R1507 PolarHBondContact O-N 3.45Å; P1505-R1507 PolarHBondContact O-N 3.17Å; R1507-W1515 HydrophobicContact CB-CZ3 4.13Å; R1507-V1526 WeakPolarHBondContact O-CB 3.18Å; R1507-V1526 WeakPolarHBondContact O-CG2 3.35Å
1508	L	69.7	Low	72.6	Confident	123 Å²	123	67.4 Å²	67.4	64%	0.644	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-109.9	-5.7	178.6	-68.9	-178.9	0	0	0	113.4	N1506	N1506-L1508 PolarHBondContact O-N 3.42Å
1509	D	68.7	Low	72.5	Confident	77 Å²	77	67.3 Å²	67.3	41%	0.412	36%	0.364	S	S	.	.			trans	-90.8	114.3	-178.9	-154.5	-49	0	0	0	110	N1506 S1511 E1512 K1521	N1506-D1509 PolarHBondContact O-N 3.39Å; D1509-S1511 VanDerWaalsContact C-N 3.25Å; D1509-S1511 WeakPolarHBondContact OD1-CA 3.3Å; D1509-S1511 WeakPolarHBondContact OD1-CB 3.43Å; D1509-S1511 PolarHBondContact OD1-N 3.02Å; D1509-S1511 PolarHBondContact OD1-OG 3.06Å; D1509-E1512 HydrophobicContact CB-CB 4.45Å; D1509-E1512 HydrophobicContact CB-CG 4.35Å; D1509-K1521 PolarHBondContact O-NZ 3.02Å
1510	E	66.8	Low	72.4	Confident	183 Å²	183	67.2 Å²	67.2	86%	0.855	37%	0.369	S	S	*	.	S	Bend	trans	-77.7	-8	176.3	-63.9	-172.3	152.6	0	0	112.9
1511	S	70.1	Confident	72	Confident	97 Å²	97	67.8 Å²	67.8	68%	0.678	37%	0.371	S	S	*	.	S	Bend	trans	-94.6	-20.9	179.3	71.8	0	0	0	0	114.6	D1509	D1509-S1511 VanDerWaalsContact C-N 3.25Å; D1509-S1511 WeakPolarHBondContact OD1-CA 3.3Å; D1509-S1511 WeakPolarHBondContact OD1-CB 3.43Å; D1509-S1511 PolarHBondContact OD1-N 3.02Å; D1509-S1511 PolarHBondContact OD1-OG 3.06Å
1512	E	69.4	Low	71.7	Confident	89 Å²	89	71 Å²	71	42%	0.416	39%	0.386	S	S	.	.			trans	-83.4	109.7	171.1	-73.5	-88	135.1	0	0	109.6	N1506 D1509 S1514 K1521	N1506-E1512 HydrophobicContact CB-CB 4.35Å; N1506-E1512 PolarHBondContact ND2-OE2 3.17Å; D1509-E1512 HydrophobicContact CB-CB 4.45Å; D1509-E1512 HydrophobicContact CB-CG 4.35Å; E1512-S1514 PolarHBondContact O-N 3.1Å; E1512-K1521 VanDerWaalsContact O-CD 3.3Å; E1512-K1521 WeakPolarHBondContact O-CD 3.19Å; E1512-K1521 VanDerWaalsContact O-CE 3.31Å; E1512-K1521 WeakPolarHBondContact O-CE 3.41Å; E1512-K1521 PolarHBondContact O-NZ 3.41Å
1513	E	70.7	Confident	71.6	Confident	113 Å²	113	75.8 Å²	75.8	53%	0.528	41%	0.411	S	S	.	.			trans	-72	-8.3	-179.6	-63.3	-174.8	166.6	0	0	113.8	T1360 K1521	T1360-E1513 VanDerWaalsContact CB-OE1 3.3Å; T1360-E1513 WeakPolarHBondContact CB-OE1 3.5Å; T1360-E1513 PolarHBondContact OG1-OE1 2.89Å; E1513-K1521 WeakPolarHBondContact O-CB 3.39Å; E1513-K1521 PolarHBondContact O-N 3.19Å
1514	S	76	Confident	71.7	Confident	42 Å²	42	73.1 Å²	73.1	29%	0.294	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-124.8	156.7	-179.4	54	0	0	0	0	114.5	N1506 E1512 L1519 K1521	N1506-S1514 PolarHBondContact ND2-O 3.35Å; E1512-S1514 PolarHBondContact O-N 3.1Å; S1514-L1519 CarbonylContact C-O 3.6Å; S1514-L1519 VanDerWaalsContact CA-O 3.29Å; S1514-L1519 WeakPolarHBondContact CA-O 3.36Å; S1514-L1519 WeakPolarHBondContact CB-O 3.15Å; S1514-K1521 WeakPolarHBondContact O-CE 3.49Å
1515	W	78.5	Confident	71.8	Confident	14 Å²	14	75.4 Å²	75.4	5%	0.053	41%	0.413	C	S	.	.			trans	-71.2	164.7	165.8	-59	111.3	0	0	0	111.6	H1500 D1504 R1507 D1517 G1518 L1519 K1521 L1524 V1526	H1500-W1515 HydrophobicContact CB-CD2 3.73Å; H1500-W1515 HydrophobicContact CB-CE3 3.77Å; H1500-W1515 HydrophobicContact CB-CG 4.41Å; H1500-W1515 HydrophobicContact CB-CH2 3.82Å; H1500-W1515 HydrophobicContact CB-CZ2 3.79Å; H1500-W1515 HydrophobicContact CB-CZ3 3.81Å; H1500-W1515 AromaticContact CD2-CD1 3.87Å; H1500-W1515 AromaticContact CD2-CD2 3.58Å; H1500-W1515 AromaticContact CD2-CE3 4Å; H1500-W1515 AromaticContact CD2-CG 3.39Å; H1500-W1515 AromaticContact CE1-CD1 3.82Å; H1500-W1515 AromaticContact CG-CD2 3.67Å; H1500-W1515 AromaticContact CG-CE2 3.81Å; H1500-W1515 AromaticContact CG-CG 3.82Å; H1500-W1515 AromaticContact ND1-NE1 3.99Å; H1500-W1515 AromaticContact NE2-CD1 3.75Å; H1500-W1515 AromaticContact NE2-CG 3.58Å; H1500-W1515 VanDerWaalsContact O-CZ3 3.26Å; H1500-W1515 WeakPolarHBondContact O-CZ3 3.43Å; D1504-W1515 HydrophobicContact CB-CE3 4.01Å; D1504-W1515 HydrophobicContact CB-CZ3 4.37Å; R1507-W1515 HydrophobicContact CB-CZ3 4.13Å; W1515-D1517 PolarHBondContact O-N 3.09Å; W1515-D1517 VanDerWaalsContact O-N 3.12Å; W1515-G1518 PolarHBondContact O-N 3.06Å; W1515-L1519 PolarHBondContact N-O 3.44Å; W1515-K1521 HydrophobicContact CD2-CG 3.92Å; W1515-K1521 HydrophobicContact CE3-CG 4.4Å; W1515-K1521 HydrophobicContact CG-CG 4.23Å; W1515-K1521 HydrophobicContact CZ2-CG 4.16Å; W1515-L1524 HydrophobicContact CH2-CD2 4.15Å; W1515-L1524 HydrophobicContact CZ2-CD2 3.79Å; W1515-V1526 HydrophobicContact CH2-CG2 3.67Å; W1515-V1526 HydrophobicContact CZ3-CG2 4.3Å
1516	S	73.5	Confident	72.1	Confident	66 Å²	66	70.8 Å²	70.8	46%	0.462	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.5	-178.9	66.7	0	0	0	0	115.3	D1504	D1504-S1516 VanDerWaalsContact CG-OG 3.26Å; D1504-S1516 PolarHBondContact OD1-N 3.44Å; D1504-S1516 VanDerWaalsContact OD2-CB 3.3Å; D1504-S1516 WeakPolarHBondContact OD2-CB 3.5Å; D1504-S1516 PolarHBondContact OD2-N 2.74Å; D1504-S1516 PolarHBondContact OD2-OG 2.67Å
1517	D	70.9	Confident	72.1	Confident	59 Å²	59	72.6 Å²	72.6	32%	0.316	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	13.2	171.1	51.6	26.1	0	0	0	113.8	K1499 H1500 W1515 L1519	K1499-D1517 IonicContact NZ-OD2 2.58Å; K1499-D1517 PolarHBondContact NZ-OD2 3.14Å; H1500-D1517 IonicContact CD2-OD1 3Å; H1500-D1517 IonicContact CD2-OD2 3.99Å; H1500-D1517 IonicContact CE1-OD1 2.76Å; H1500-D1517 IonicContact NE2-OD1 3.31Å; H1500-D1517 PolarHBondContact NE2-OD1 2.89Å; H1500-D1517 IonicContact NE2-OD2 2.69Å; H1500-D1517 PolarHBondContact NE2-OD2 2.8Å; H1500-D1517 VanDerWaalsContact NE2-OD2 3.13Å; W1515-D1517 PolarHBondContact O-N 3.09Å; W1515-D1517 VanDerWaalsContact O-N 3.12Å; D1517-L1519 VanDerWaalsContact C-N 3.29Å; D1517-L1519 PolarHBondContact O-N 3.28Å; D1517-L1519 WeakPolarHBondContact OD1-CG 3.37Å
1518	G	64.6	Low	72.5	Confident	56 Å²	56	68.9 Å²	68.9	58%	0.577	39%	0.388	S	S	*	.	S	Bend	trans	80.7	3.3	174	0	0	0	0	0	114.9	W1515	W1515-G1518 PolarHBondContact O-N 3.06Å
1519	L	72.8	Confident	73	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.073	36%	0.358	C	S	.	.			trans	-78	139.6	176.6	-60.9	177.1	0	0	0	110.4	L1444 I1446 L1496 S1514 W1515 D1517	L1444-L1519 HydrophobicContact CD2-CD2 3.84Å; I1446-L1519 HydrophobicContact CD1-CD1 4.09Å; I1446-L1519 HydrophobicContact CD1-CD2 3.76Å; I1446-L1519 HydrophobicContact CD1-CG 4.43Å; I1446-L1519 HydrophobicContact CG1-CD2 4.36Å; L1496-L1519 HydrophobicContact CD1-CD1 4.43Å; L1496-L1519 HydrophobicContact CD2-CD1 3.89Å; S1514-L1519 CarbonylContact C-O 3.6Å; S1514-L1519 VanDerWaalsContact CA-O 3.29Å; S1514-L1519 WeakPolarHBondContact CA-O 3.36Å; S1514-L1519 WeakPolarHBondContact CB-O 3.15Å; W1515-L1519 PolarHBondContact N-O 3.44Å; D1517-L1519 VanDerWaalsContact C-N 3.29Å; D1517-L1519 PolarHBondContact O-N 3.28Å; D1517-L1519 WeakPolarHBondContact OD1-CG 3.37Å
1520	P	72	Confident	73.6	Confident	56 Å²	56	62.5 Å²	62.5	36%	0.364	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-68.2	145.8	-179.6	27.6	-34.5	0	0	0	112	E1522	P1520-E1522 VanDerWaalsContact C-N 3.34Å; P1520-E1522 HydrophobicContact CB-CG 4.45Å; P1520-E1522 HydrophobicContact CG-CG 4.4Å
1521	K	72.6	Confident	74.1	Confident	23 Å²	23	57.3 Å²	57.3	10%	0.1	34%	0.338	C	S	.	.			trans	-78	-12.6	178.2	-73.6	-179	-178.6	159.3	0	114.5	N1506 D1509 E1512 E1513 S1514 W1515 H1523 L1524	N1506-K1521 WeakPolarHBondContact O-CE 3.38Å; N1506-K1521 PolarHBondContact O-NZ 3Å; D1509-K1521 PolarHBondContact O-NZ 3.02Å; E1512-K1521 VanDerWaalsContact O-CD 3.3Å; E1512-K1521 WeakPolarHBondContact O-CD 3.19Å; E1512-K1521 VanDerWaalsContact O-CE 3.31Å; E1512-K1521 WeakPolarHBondContact O-CE 3.41Å; E1512-K1521 PolarHBondContact O-NZ 3.41Å; E1513-K1521 WeakPolarHBondContact O-CB 3.39Å; E1513-K1521 PolarHBondContact O-N 3.19Å; S1514-K1521 WeakPolarHBondContact O-CE 3.49Å; W1515-K1521 HydrophobicContact CD2-CG 3.92Å; W1515-K1521 HydrophobicContact CE3-CG 4.4Å; W1515-K1521 HydrophobicContact CG-CG 4.23Å; W1515-K1521 HydrophobicContact CZ2-CG 4.16Å; K1521-H1523 PolarHBondContact O-N 3.11Å; K1521-H1523 VanDerWaalsContact O-N 3.09Å; K1521-L1524 WeakPolarHBondContact O-CB 3.42Å; K1521-L1524 PolarHBondContact O-N 3.4Å
1522	E	72.3	Confident	74.7	Confident	69 Å²	69	53.8 Å²	53.8	32%	0.322	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	37.6	178	-59.2	-175.6	152.1	0	0	113.8	R1454 P1520 L1524	R1454-E1522 WeakPolarHBondContact CB-OE2 3.16Å; R1454-E1522 IonicContact CZ-OE1 3.78Å; R1454-E1522 VanDerWaalsContact NE-CD 3.3Å; R1454-E1522 IonicContact NE-OE1 2.66Å; R1454-E1522 PolarHBondContact NE-OE1 3.42Å; R1454-E1522 IonicContact NE-OE2 2.69Å; R1454-E1522 PolarHBondContact NE-OE2 2.86Å; R1454-E1522 VanDerWaalsContact NE-OE2 3.15Å; R1454-E1522 IonicContact NH2-OE1 3.8Å; R1454-E1522 PolarHBondContact NH2-OE1 2.88Å; P1520-E1522 VanDerWaalsContact C-N 3.34Å; P1520-E1522 HydrophobicContact CB-CG 4.45Å; P1520-E1522 HydrophobicContact CG-CG 4.4Å; E1522-L1524 VanDerWaalsContact C-N 3.28Å; E1522-L1524 PolarHBondContact O-N 2.95Å
1523	H	69	Low	75.3	Confident	191 Å²	191	50.5 Å²	50.5	88%	0.884	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	27.9	-176.2	-44.2	-66.4	0	0	0	115.3	K1521 C1525	K1521-H1523 PolarHBondContact O-N 3.11Å; K1521-H1523 VanDerWaalsContact O-N 3.09Å; H1523-C1525 PolarHBondContact O-N 3.04Å; H1523-C1525 VanDerWaalsContact O-N 3.16Å
1524	L	73.7	Confident	75.8	Confident	21 Å²	21	47.6 Å²	47.6	11%	0.11	29%	0.29	C	S	.	.			trans	-69.2	105.7	178.1	-167.2	75.8	0	0	0	112.6	N1458 Y1497 L1501 W1515 K1521 E1522 V1526 V1529	N1458-L1524 WeakPolarHBondContact ND2-CD1 3.37Å; Y1497-L1524 HydrophobicContact CE2-CD1 4.32Å; Y1497-L1524 HydrophobicContact CE2-CD2 3.86Å; L1501-L1524 HydrophobicContact CD2-CD2 4.11Å; W1515-L1524 HydrophobicContact CH2-CD2 4.15Å; W1515-L1524 HydrophobicContact CZ2-CD2 3.79Å; K1521-L1524 WeakPolarHBondContact O-CB 3.42Å; K1521-L1524 PolarHBondContact O-N 3.4Å; E1522-L1524 VanDerWaalsContact C-N 3.28Å; E1522-L1524 PolarHBondContact O-N 2.95Å; L1524-V1526 HydrophobicContact CD2-CG2 4.4Å; L1524-V1526 PolarHBondContact O-N 3.37Å; L1524-V1529 HydrophobicContact CD1-CG2 3.71Å; L1524-V1529 HydrophobicContact CG-CG2 4.13Å
1525	C	78.1	Confident	76.1	Confident	52 Å²	52	46.6 Å²	46.6	35%	0.351	28%	0.282	S	S	.	.			trans	-73.1	90.4	169.5	-178.5	0	0	0	0	110.7	H1523 A1528 V1529	H1523-C1525 PolarHBondContact O-N 3.04Å; H1523-C1525 VanDerWaalsContact O-N 3.16Å; C1525-A1528 HydrophobicContact CB-CB 4.14Å; C1525-A1528 PolarHBondContact O-N 3.39Å; C1525-A1528 VanDerWaalsContact O-N 3.12Å; C1525-V1529 WeakPolarHBondContact O-CG2 3.45Å; C1525-V1529 PolarHBondContact O-N 3.16Å; C1525-V1529 VanDerWaalsContact O-N 3.15Å
1526	V	79.3	Confident	76.3	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-51.2	-45.3	-177.4	174.5	0	0	0	0	113.4	L1501 R1507 W1515 L1524 A1528 V1529 L1530	L1501-V1526 HydrophobicContact CD2-CB 4.39Å; L1501-V1526 HydrophobicContact CD2-CG1 3.9Å; L1501-V1526 HydrophobicContact CD2-CG2 4.12Å; R1507-V1526 WeakPolarHBondContact O-CB 3.18Å; R1507-V1526 WeakPolarHBondContact O-CG2 3.35Å; W1515-V1526 HydrophobicContact CH2-CG2 3.67Å; W1515-V1526 HydrophobicContact CZ3-CG2 4.3Å; L1524-V1526 HydrophobicContact CD2-CG2 4.4Å; L1524-V1526 PolarHBondContact O-N 3.37Å; V1526-A1528 PolarHBondContact O-N 3.37Å; V1526-V1529 PolarHBondContact O-N 3.32Å; V1526-L1530 HydrophobicContact CG1-CD1 3.84Å; V1526-L1530 HydrophobicContact CG1-CG 4.37Å; V1526-L1530 WeakPolarHBondContact O-CG 3.18Å; V1526-L1530 PolarHBondContact O-N 3.39Å
1527	P	76.4	Confident	76.7	Confident	68 Å²	68	45.4 Å²	45.4	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-46.5	176.1	-25.8	35.6	0	0	0	113.3	V1529 L1530 S1531	P1527-V1529 VanDerWaalsContact C-N 3.33Å; P1527-V1529 PolarHBondContact O-N 2.97Å; P1527-L1530 PolarHBondContact O-N 2.89Å; P1527-S1531 PolarHBondContact O-N 3.47Å; P1527-S1531 PolarHBondContact O-OG 2.91Å
1528	A	76.7	Confident	77.3	Confident	26 Å²	26	44 Å²	44	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-36.8	-178.3	0	0	0	0	0	112.6	C1525 V1526 R1532	C1525-A1528 HydrophobicContact CB-CB 4.14Å; C1525-A1528 PolarHBondContact O-N 3.39Å; C1525-A1528 VanDerWaalsContact O-N 3.12Å; V1526-A1528 PolarHBondContact O-N 3.37Å; A1528-R1532 WeakPolarHBondContact O-CB 3.48Å; A1528-R1532 PolarHBondContact O-N 3.08Å
1529	V	81.4	Confident	78.3	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-46.5	174.6	174.2	0	0	0	0	110.9	V1461 M1462 L1501 L1524 C1525 V1526 P1527 R1532 I1533	V1461-V1529 HydrophobicContact CG1-CG1 4.31Å; M1462-V1529 HydrophobicContact SD-CB 4.38Å; M1462-V1529 HydrophobicContact SD-CG2 3.89Å; L1501-V1529 HydrophobicContact CD1-CG1 4.15Å; L1501-V1529 HydrophobicContact CD2-CG1 4.22Å; L1524-V1529 HydrophobicContact CD1-CG2 3.71Å; L1524-V1529 HydrophobicContact CG-CG2 4.13Å; C1525-V1529 WeakPolarHBondContact O-CG2 3.45Å; C1525-V1529 PolarHBondContact O-N 3.16Å; C1525-V1529 VanDerWaalsContact O-N 3.15Å; V1526-V1529 PolarHBondContact O-N 3.32Å; P1527-V1529 VanDerWaalsContact C-N 3.33Å; P1527-V1529 PolarHBondContact O-N 2.97Å; V1529-R1532 PolarHBondContact O-N 3.45Å; V1529-I1533 HydrophobicContact CG1-CD1 3.84Å; V1529-I1533 VanDerWaalsContact O-CG1 3.3Å; V1529-I1533 WeakPolarHBondContact O-CG1 3.46Å; V1529-I1533 PolarHBondContact O-N 3.01Å
1530	L	80.6	Confident	78.8	Confident	62 Å²	62	42.9 Å²	42.9	33%	0.325	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-44.7	178.6	-68.5	172.3	0	0	0	112	V1526 P1527 R1532 I1533 A1534	V1526-L1530 HydrophobicContact CG1-CD1 3.84Å; V1526-L1530 HydrophobicContact CG1-CG 4.37Å; V1526-L1530 WeakPolarHBondContact O-CG 3.18Å; V1526-L1530 PolarHBondContact O-N 3.39Å; P1527-L1530 PolarHBondContact O-N 2.89Å; L1530-R1532 VanDerWaalsContact C-N 3.33Å; L1530-R1532 PolarHBondContact O-N 2.69Å; L1530-I1533 PolarHBondContact O-N 2.91Å; L1530-A1534 PolarHBondContact O-N 3.42Å
1531	S	77.8	Confident	79.2	Confident	75 Å²	75	44.5 Å²	44.5	52%	0.524	25%	0.253	S	S	.	.	H	α-helix	trans	-58.7	-43.1	174	-62.3	0	0	0	0	112	P1527 A1534 V1535	P1527-S1531 PolarHBondContact O-N 3.47Å; P1527-S1531 PolarHBondContact O-OG 2.91Å; S1531-A1534 PolarHBondContact O-N 2.86Å; S1531-V1535 WeakPolarHBondContact O-CG2 3.4Å; S1531-V1535 PolarHBondContact O-N 3.16Å
1532	R	81.9	Confident	79.8	Confident	23 Å²	23	43.9 Å²	43.9	9%	0.087	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-42.5	177.3	178.6	47.1	56.2	97.1	-6.7	112.2	M1462 A1528 V1529 L1530 A1534 V1535 M1536 Y1631 I1811	M1462-R1532 HydrophobicContact CE-CB 4.21Å; M1462-R1532 HydrophobicContact CE-CG 4.36Å; M1462-R1532 WeakPolarHBondContact O-CD 3.39Å; M1462-R1532 WeakPolarHBondContact O-CG 3.22Å; M1462-R1532 PolarHBondContact O-NH1 3.17Å; M1462-R1532 HydrophobicContact SD-CB 4Å; M1462-R1532 HydrophobicContact SD-CG 4.07Å; A1528-R1532 WeakPolarHBondContact O-CB 3.48Å; A1528-R1532 PolarHBondContact O-N 3.08Å; V1529-R1532 PolarHBondContact O-N 3.45Å; L1530-R1532 VanDerWaalsContact C-N 3.33Å; L1530-R1532 PolarHBondContact O-N 2.69Å; R1532-A1534 VanDerWaalsContact C-N 3.32Å; R1532-A1534 PolarHBondContact O-N 3.12Å; R1532-V1535 PolarHBondContact O-N 3.25Å; R1532-M1536 HydrophobicContact CG-CG 4.49Å; R1532-M1536 VanDerWaalsContact O-CG 3.31Å; R1532-M1536 WeakPolarHBondContact O-CG 3.36Å; R1532-M1536 PolarHBondContact O-N 3.39Å; R1532-Y1631 PolarHBondContact NH2-OH 2.93Å; R1532-I1811 VanDerWaalsContact CZ-CD1 3.48Å
1533	I	81.9	Confident	80.3	Confident	20 Å²	20	40.8 Å²	40.8	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-45.3	174.7	-74.4	165	0	0	0	110.8	V1461 L1466 V1529 L1530 A1537	V1461-I1533 HydrophobicContact CG1-CD1 4.01Å; V1461-I1533 HydrophobicContact CG1-CG1 4.02Å; L1466-I1533 HydrophobicContact CD1-CG2 3.75Å; L1466-I1533 HydrophobicContact CD2-CD1 3.77Å; L1466-I1533 HydrophobicContact CD2-CG1 4.02Å; L1466-I1533 HydrophobicContact CG-CD1 4.19Å; L1466-I1533 HydrophobicContact CG-CG1 4.03Å; L1466-I1533 HydrophobicContact CG-CG2 3.77Å; V1529-I1533 HydrophobicContact CG1-CD1 3.84Å; V1529-I1533 VanDerWaalsContact O-CG1 3.3Å; V1529-I1533 WeakPolarHBondContact O-CG1 3.46Å; V1529-I1533 PolarHBondContact O-N 3.01Å; L1530-I1533 PolarHBondContact O-N 2.91Å; I1533-A1537 WeakPolarHBondContact O-CB 3.46Å; I1533-A1537 PolarHBondContact O-N 3.48Å
1534	A	81	Confident	80.8	Confident	52 Å²	52	36.3 Å²	36.3	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-49.8	179	0	0	0	0	0	112.5	L1530 S1531 R1532 M1536 A1537 L1538	L1530-A1534 PolarHBondContact O-N 3.42Å; S1531-A1534 PolarHBondContact O-N 2.86Å; R1532-A1534 VanDerWaalsContact C-N 3.32Å; R1532-A1534 PolarHBondContact O-N 3.12Å; A1534-M1536 PolarHBondContact O-N 3.34Å; A1534-A1537 WeakPolarHBondContact O-CB 3.42Å; A1534-A1537 PolarHBondContact O-N 2.97Å; A1534-A1537 VanDerWaalsContact O-N 3.15Å; A1534-L1538 WeakPolarHBondContact O-CG 3.37Å; A1534-L1538 PolarHBondContact O-N 3.45Å
1535	V	82.2	Confident	81	Confident	21 Å²	21	39.5 Å²	39.5	13%	0.127	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-41.7	179.9	174.7	0	0	0	0	111.7	S1531 R1532 A1537 L1538 I1539 E1696	S1531-V1535 WeakPolarHBondContact O-CG2 3.4Å; S1531-V1535 PolarHBondContact O-N 3.16Å; R1532-V1535 PolarHBondContact O-N 3.25Å; V1535-A1537 VanDerWaalsContact C-N 3.3Å; V1535-A1537 PolarHBondContact O-N 2.82Å; V1535-L1538 PolarHBondContact O-N 2.67Å; V1535-I1539 HydrophobicContact CG1-CD1 4.1Å; V1535-I1539 HydrophobicContact CG1-CG1 4.49Å; V1535-I1539 WeakPolarHBondContact O-CG1 3.39Å; V1535-I1539 PolarHBondContact O-N 2.96Å; V1535-E1696 HydrophobicContact CG1-CG 3.82Å
1536	M	83.3	Confident	80.9	Confident	11 Å²	11	38.2 Å²	38.2	5%	0.054	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-32.8	176.2	-66	-64.2	96.5	0	0	112.5	R1532 A1534 I1539 R1540 I1626 Y1631	R1532-M1536 HydrophobicContact CG-CG 4.49Å; R1532-M1536 VanDerWaalsContact O-CG 3.31Å; R1532-M1536 WeakPolarHBondContact O-CG 3.36Å; R1532-M1536 PolarHBondContact O-N 3.39Å; A1534-M1536 PolarHBondContact O-N 3.34Å; M1536-I1539 HydrophobicContact CE-CD1 3.8Å; M1536-R1540 VanDerWaalsContact O-CB 3.22Å; M1536-R1540 WeakPolarHBondContact O-CB 3.34Å; M1536-R1540 PolarHBondContact O-N 3.34Å; M1536-I1626 HydrophobicContact CE-CG2 4.28Å; M1536-I1626 HydrophobicContact SD-CG2 4.44Å; M1536-Y1631 HydrophobicContact CE-CD2 3.58Å; M1536-Y1631 HydrophobicContact CE-CE2 4.05Å; M1536-Y1631 HydrophobicContact SD-CD2 4.38Å
1537	A	81.5	Confident	80.7	Confident	43 Å²	43	43 Å²	43	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-68	-43	172.9	0	0	0	0	0	112.1	I1533 A1534 V1535 R1540 N1541	I1533-A1537 WeakPolarHBondContact O-CB 3.46Å; I1533-A1537 PolarHBondContact O-N 3.48Å; A1534-A1537 WeakPolarHBondContact O-CB 3.42Å; A1534-A1537 PolarHBondContact O-N 2.97Å; A1534-A1537 VanDerWaalsContact O-N 3.15Å; V1535-A1537 VanDerWaalsContact C-N 3.3Å; V1535-A1537 PolarHBondContact O-N 2.82Å; A1537-R1540 PolarHBondContact O-N 3.27Å; A1537-N1541 WeakPolarHBondContact O-CB 3.44Å; A1537-N1541 PolarHBondContact O-N 3.18Å; A1537-N1541 PolarHBondContact O-ND2 2.95Å
1538	L	84.8	Confident	80.4	Confident	29 Å²	29	47.6 Å²	47.6	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-46.3	175.8	-68.3	175.3	0	0	0	111.9	A1534 V1535 N1541 K1542 L1699 I1700 Q1703	A1534-L1538 WeakPolarHBondContact O-CG 3.37Å; A1534-L1538 PolarHBondContact O-N 3.45Å; V1535-L1538 PolarHBondContact O-N 2.67Å; L1538-N1541 PolarHBondContact O-N 3.22Å; L1538-K1542 WeakPolarHBondContact O-CB 3.41Å; L1538-K1542 PolarHBondContact O-N 3.49Å; L1538-L1699 HydrophobicContact CB-CB 4.23Å; L1538-L1699 HydrophobicContact CB-CD1 4.41Å; L1538-L1699 HydrophobicContact CD1-CB 4.24Å; L1538-I1700 HydrophobicContact CD1-CG1 4.21Å; L1538-Q1703 HydrophobicContact CD2-CB 3.93Å; L1538-Q1703 HydrophobicContact CD2-CG 4Å
1539	I	85.2	Confident	80.1	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-48.1	176	-69.2	-178.6	0	0	0	110.8	V1535 M1536 N1541 K1542 V1543 L1623 I1626 L1692 L1699	V1535-I1539 HydrophobicContact CG1-CD1 4.1Å; V1535-I1539 HydrophobicContact CG1-CG1 4.49Å; V1535-I1539 WeakPolarHBondContact O-CG1 3.39Å; V1535-I1539 PolarHBondContact O-N 2.96Å; M1536-I1539 HydrophobicContact CE-CD1 3.8Å; I1539-N1541 PolarHBondContact O-N 3.3Å; I1539-K1542 PolarHBondContact O-N 2.98Å; I1539-V1543 HydrophobicContact CG2-CG2 4.43Å; I1539-V1543 WeakPolarHBondContact O-CG2 3.29Å; I1539-V1543 PolarHBondContact O-N 3.33Å; I1539-L1623 HydrophobicContact CD1-CD2 3.95Å; I1539-L1623 HydrophobicContact CG1-CD2 3.98Å; I1539-L1623 HydrophobicContact CG2-CB 4.2Å; I1539-L1623 HydrophobicContact CG2-CD2 4.2Å; I1539-I1626 HydrophobicContact CD1-CG2 4.49Å; I1539-L1692 HydrophobicContact CD1-CD1 4.32Å; I1539-L1699 HydrophobicContact CG1-CD1 3.6Å
1540	R	82.8	Confident	79.4	Confident	45 Å²	45	49.6 Å²	49.6	17%	0.17	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-47.9	177.8	-174.1	-179.7	-63.5	168	2.3	111.4	F1464 L1466 M1536 A1537 K1542 V1543 L1544 L1627	F1464-R1540 PolarHBondContact O-NH2 2.96Å; L1466-R1540 PolarHBondContact O-NH1 3.48Å; L1466-R1540 PolarHBondContact O-NH2 2.76Å; M1536-R1540 VanDerWaalsContact O-CB 3.22Å; M1536-R1540 WeakPolarHBondContact O-CB 3.34Å; M1536-R1540 PolarHBondContact O-N 3.34Å; A1537-R1540 PolarHBondContact O-N 3.27Å; R1540-K1542 VanDerWaalsContact C-N 3.34Å; R1540-K1542 PolarHBondContact O-N 3.49Å; R1540-V1543 PolarHBondContact O-N 2.99Å; R1540-L1544 HydrophobicContact CG-CD1 3.86Å; R1540-L1544 WeakPolarHBondContact O-CB 3.49Å; R1540-L1544 VanDerWaalsContact O-CG 3.23Å; R1540-L1544 WeakPolarHBondContact O-CG 3.42Å; R1540-L1544 PolarHBondContact O-N 3.22Å; R1540-L1627 HydrophobicContact CB-CD1 4.06Å; R1540-L1627 HydrophobicContact CG-CD1 4.06Å
1541	N	81.7	Confident	78.7	Confident	91 Å²	91	48.9 Å²	48.9	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-37.4	177.9	-70.3	-12.3	0	0	0	112.5	A1537 L1538 I1539 Q1545	A1537-N1541 WeakPolarHBondContact O-CB 3.44Å; A1537-N1541 PolarHBondContact O-N 3.18Å; A1537-N1541 PolarHBondContact O-ND2 2.95Å; L1538-N1541 PolarHBondContact O-N 3.22Å; I1539-N1541 PolarHBondContact O-N 3.3Å; N1541-Q1545 WeakPolarHBondContact O-CB 3.29Å; N1541-Q1545 PolarHBondContact O-N 2.83Å; N1541-Q1545 VanDerWaalsContact O-N 3.16Å
1542	K	83.3	Confident	78	Confident	10 Å²	10	50.7 Å²	50.7	4%	0.043	29%	0.29	C	S	.	.	H	α-helix	trans	-73.1	-36.3	179.6	-163.9	75.4	176.4	178.8	0	112.8	L1538 I1539 R1540 Y1546 F1566 A1567 L1623 L1699 E1702	L1538-K1542 WeakPolarHBondContact O-CB 3.41Å; L1538-K1542 PolarHBondContact O-N 3.49Å; I1539-K1542 PolarHBondContact O-N 2.98Å; R1540-K1542 VanDerWaalsContact C-N 3.34Å; R1540-K1542 PolarHBondContact O-N 3.49Å; K1542-Y1546 WeakPolarHBondContact O-CD2 3.29Å; K1542-F1566 HydrophobicContact CG-CE2 4.02Å; K1542-F1566 HydrophobicContact CG-CZ 4.38Å; K1542-A1567 VanDerWaalsContact CE-O 3.29Å; K1542-A1567 WeakPolarHBondContact CE-O 3.36Å; K1542-A1567 PolarHBondContact NZ-O 3.01Å; K1542-L1623 HydrophobicContact CG-CD1 4.4Å; K1542-L1699 HydrophobicContact CB-CD2 3.82Å; K1542-L1699 HydrophobicContact CD-CD2 3.91Å; K1542-L1699 HydrophobicContact CG-CD2 3.78Å; K1542-E1702 IonicContact NZ-OE1 3.99Å; K1542-E1702 PolarHBondContact NZ-OE1 2.85Å; K1542-E1702 IonicContact NZ-OE2 3.04Å; K1542-E1702 PolarHBondContact NZ-OE2 3.03Å
1543	V	83.2	Confident	76.9	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.024	31%	0.309	C	S	.	.	H	α-helix	trans	-69.7	-49.9	174.3	175.2	0	0	0	0	110.4	I1539 R1540 Q1545 Y1546 E1547 Y1620 L1623 A1624 L1627	I1539-V1543 HydrophobicContact CG2-CG2 4.43Å; I1539-V1543 WeakPolarHBondContact O-CG2 3.29Å; I1539-V1543 PolarHBondContact O-N 3.33Å; R1540-V1543 PolarHBondContact O-N 2.99Å; V1543-Q1545 PolarHBondContact O-N 3.37Å; V1543-Q1545 VanDerWaalsContact O-N 3.13Å; V1543-Y1546 PolarHBondContact O-N 3.41Å; V1543-E1547 PolarHBondContact O-N 3.08Å; V1543-Y1620 HydrophobicContact CG1-CE2 4.41Å; V1543-L1623 HydrophobicContact CG2-CB 3.74Å; V1543-A1624 HydrophobicContact CG1-CB 4.49Å; V1543-L1627 HydrophobicContact CB-CD2 4.04Å; V1543-L1627 HydrophobicContact CG1-CD2 3.83Å; V1543-L1627 HydrophobicContact CG2-CD2 4.48Å
1544	L	80.3	Confident	76	Confident	96 Å²	96	52.8 Å²	52.8	50%	0.503	31%	0.307	S	S	.	.	H	α-helix	trans	-57.6	-28.6	177.9	-71.7	169.9	0	0	0	113.3	R1540 Y1546	R1540-L1544 HydrophobicContact CG-CD1 3.86Å; R1540-L1544 WeakPolarHBondContact O-CB 3.49Å; R1540-L1544 VanDerWaalsContact O-CG 3.23Å; R1540-L1544 WeakPolarHBondContact O-CG 3.42Å; R1540-L1544 PolarHBondContact O-N 3.22Å; L1544-Y1546 PolarHBondContact O-N 2.56Å
1545	Q	77.3	Confident	74.8	Confident	88 Å²	88	54.5 Å²	54.5	41%	0.411	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.1	174.9	177.8	167	104.7	0	0	113.9	N1541 V1543	N1541-Q1545 WeakPolarHBondContact O-CB 3.29Å; N1541-Q1545 PolarHBondContact O-N 2.83Å; N1541-Q1545 VanDerWaalsContact O-N 3.16Å; V1543-Q1545 PolarHBondContact O-N 3.37Å; V1543-Q1545 VanDerWaalsContact O-N 3.13Å
1546	Y	77	Confident	73.1	Confident	25 Å²	25	56 Å²	56	10%	0.098	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-3	-172.4	-64.5	-70.4	0	0	0	114.6	K1542 V1543 L1544 D1548 V1549 N1550 K1565 F1566 A1567 R1728	K1542-Y1546 WeakPolarHBondContact O-CD2 3.29Å; V1543-Y1546 PolarHBondContact O-N 3.41Å; L1544-Y1546 PolarHBondContact O-N 2.56Å; Y1546-D1548 PolarHBondContact O-N 3.17Å; Y1546-V1549 PolarHBondContact O-N 2.94Å; Y1546-N1550 PolarHBondContact O-N 2.94Å; Y1546-K1565 WeakPolarHBondContact CD1-O 3.48Å; Y1546-F1566 AromaticContact CD2-CD2 3.72Å; Y1546-F1566 HydrophobicContact CD2-CD2 3.72Å; Y1546-F1566 HydrophobicContact CD2-CE2 4.22Å; Y1546-F1566 HydrophobicContact CE2-CD2 4.19Å; Y1546-F1566 HydrophobicContact CG-CD2 4.3Å; Y1546-A1567 PolarHBondContact OH-O 3.09Å; Y1546-R1728 PolarHBondContact OH-NH2 3.21Å
1547	E	74.6	Confident	71.1	Confident	107 Å²	107	61.7 Å²	61.7	50%	0.5	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-42.5	179.7	-171.9	169.4	-171.8	0	0	112.7	V1543 V1549	V1543-E1547 PolarHBondContact O-N 3.08Å; E1547-V1549 PolarHBondContact O-N 2.97Å
1548	D	70.3	Confident	69.1	Low	166 Å²	166	64.6 Å²	64.6	89%	0.888	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-13.6	174.2	-72.9	-29.2	0	0	0	114.1	Y1546	Y1546-D1548 PolarHBondContact O-N 3.17Å
1549	V	70.9	Confident	67.1	Low	67 Å²	67	68.2 Å²	68.2	41%	0.406	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-31.8	-172.4	-169.5	0	0	0	0	112.1	Y1546 E1547 K1565	Y1546-V1549 PolarHBondContact O-N 2.94Å; E1547-V1549 PolarHBondContact O-N 2.97Å; V1549-K1565 HydrophobicContact CG1-CB 4Å; V1549-K1565 HydrophobicContact CG1-CD 4.32Å; V1549-K1565 HydrophobicContact CG1-CG 4.46Å
1550	N	66.8	Low	65	Low	4 Å²	4	76 Å²	76	2%	0.021	42%	0.42	C	S	.	.	S	Bend	trans	-108.6	99.6	-175.5	-64.5	-26.4	0	0	0	110.4	Y1546 F1564 K1565 Y1620	Y1546-N1550 PolarHBondContact O-N 2.94Å; N1550-F1564 HydrophobicContact CB-CD2 4.13Å; N1550-F1564 HydrophobicContact CB-CE2 3.76Å; N1550-F1564 HydrophobicContact CB-CZ 4.47Å; N1550-F1564 VanDerWaalsContact CG-CE2 3.48Å; N1550-F1564 WeakPolarHBondContact OD1-CA 3.43Å; N1550-F1564 WeakPolarHBondContact OD1-CD2 3.49Å; N1550-K1565 PolarHBondContact ND2-O 3.43Å; N1550-K1565 PolarHBondContact OD1-N 3.43Å; N1550-K1565 PolarHBondContact OD1-O 2.97Å; N1550-Y1620 HydrophobicContact CB-CD1 4.15Å; N1550-Y1620 HydrophobicContact CB-CE1 3.52Å; N1550-Y1620 HydrophobicContact CB-CE2 4.16Å; N1550-Y1620 PolarHBondContact O-OH 2.99Å
1551	G	64.2	Low	63.1	Low	48 Å²	48	75.1 Å²	75.1	50%	0.495	42%	0.42	S	S	.	.			trans	-57.6	165.9	-172.7	0	0	0	0	0	116.2	T1553 W1621	G1551-T1553 VanDerWaalsContact C-N 3.29Å; G1551-T1553 PolarHBondContact O-N 2.98Å; G1551-W1621 WeakPolarHBondContact O-CH2 3.39Å; G1551-W1621 WeakPolarHBondContact O-CZ2 3.27Å
1552	P	63.2	Low	61.5	Low	112 Å²	112	73.5 Å²	73.5	73%	0.727	41%	0.414	S	S	*	.	S	Bend	trans	-74.4	4.1	-151.8	29.5	-38.8	0	0	0	117.5
1553	T	59.3	Low	60.2	Low	78 Å²	78	77.5 Å²	77.5	48%	0.479	44%	0.44	S	S	.	.			trans	-143.6	135.4	-177.6	50.9	0	0	0	0	111.9	G1551 I1555 W1621	G1551-T1553 VanDerWaalsContact C-N 3.29Å; G1551-T1553 PolarHBondContact O-N 2.98Å; T1553-I1555 PolarHBondContact O-N 3.44Å; T1553-W1621 VanDerWaalsContact C-CZ2 3.42Å
1554	S	63	Low	59.1	Low	9 Å²	9	79.1 Å²	79.1	6%	0.063	45%	0.447	C	S	.	.	S	Bend	trans	-67.6	-16.6	-176.4	61.8	0	0	0	0	116	W1621 R1642 R1644 I1645	S1554-W1621 VanDerWaalsContact CA-CE2 3.42Å; S1554-W1621 VanDerWaalsContact CB-CD1 3.48Å; S1554-R1642 WeakPolarHBondContact CB-O 3.36Å; S1554-R1642 PolarHBondContact N-O 2.99Å; S1554-R1642 PolarHBondContact OG-O 3.14Å; S1554-R1644 PolarHBondContact OG-N 2.94Å; S1554-R1644 VanDerWaalsContact OG-N 3.14Å; S1554-I1645 PolarHBondContact OG-N 3.2Å
1555	I	55.1	Low	58.3	Low	88 Å²	88	80.4 Å²	80.4	45%	0.451	45%	0.448	S	S	.	.			trans	-106.3	106.3	171.3	-61.5	179.2	0	0	0	108.7	T1553 R1644	T1553-I1555 PolarHBondContact O-N 3.44Å; I1555-R1644 HydrophobicContact CD1-CB 3.97Å; I1555-R1644 HydrophobicContact CD1-CG 4.22Å; I1555-R1644 HydrophobicContact CG1-CB 4.5Å
1556	S	48.5	Very low	57.8	Low	53 Å²	53	76.6 Å²	76.6	37%	0.371	43%	0.43	S	S	.	.			trans	-90.8	145.1	151.5	178.4	0	0	0	0	108.3	D1558	S1556-D1558 PolarHBondContact O-N 3.25Å; S1556-D1558 PolarHBondContact OG-N 3.34Å
1557	T	41	Very low	57.2	Low	131 Å²	131	77.3 Å²	77.3	80%	0.804	44%	0.441	S	S	*	.	S	Bend	trans	-65.2	-23.6	170.5	44	0	0	0	0	112.4	I1559	T1557-I1559 PolarHBondContact O-N 3.36Å
1558	D	39.2	Very low	56.9	Low	103 Å²	103	73.4 Å²	73.4	55%	0.551	42%	0.423	S	S	*	.			trans	-90	96	179.4	-58.5	-39.9	0	0	0	110.2	S1556 Q1560 S1561	S1556-D1558 PolarHBondContact O-N 3.25Å; S1556-D1558 PolarHBondContact OG-N 3.34Å; D1558-Q1560 PolarHBondContact O-N 3.36Å; D1558-S1561 WeakPolarHBondContact O-CB 3.45Å; D1558-S1561 PolarHBondContact O-N 3.04Å; D1558-S1561 PolarHBondContact O-OG 3.31Å
1559	I	42.5	Very low	56.3	Low	105 Å²	105	68.9 Å²	68.9	54%	0.538	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.4	169.7	-64.4	172.9	0	0	0	110.3	T1557 S1561 M1657	T1557-I1559 PolarHBondContact O-N 3.36Å; I1559-S1561 PolarHBondContact O-N 3.15Å; I1559-M1657 HydrophobicContact CG2-CE 4.12Å
1560	Q	41.2	Very low	55.5	Low	167 Å²	167	66.9 Å²	66.9	78%	0.78	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	31.8	175.9	-62.1	176.2	-19.5	0	0	113.5	D1558 P1562	D1558-Q1560 PolarHBondContact O-N 3.36Å; Q1560-P1562 WeakPolarHBondContact O-CD 3.36Å
1561	S	42	Very low	54.6	Low	25 Å²	25	67.2 Å²	67.2	18%	0.175	39%	0.387	C	S	.	.			trans	-89.4	104.7	177.6	41.8	0	0	0	0	111.3	D1558 I1559 T1563 R1617	D1558-S1561 WeakPolarHBondContact O-CB 3.45Å; D1558-S1561 PolarHBondContact O-N 3.04Å; D1558-S1561 PolarHBondContact O-OG 3.31Å; I1559-S1561 PolarHBondContact O-N 3.15Å; S1561-T1563 VanDerWaalsContact C-N 3.31Å; S1561-T1563 PolarHBondContact O-N 3.38Å; S1561-R1617 PolarHBondContact O-NH2 3.04Å; S1561-R1617 VanDerWaalsContact O-NH2 3.08Å; S1561-R1617 PolarHBondContact OG-NH2 2.99Å
1562	P	48	Very low	54.1	Low	57 Å²	57	66.7 Å²	66.7	37%	0.37	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.1	-172.2	32.3	-38.5	0	0	0	114.3	Q1560 F1564 E1958	Q1560-P1562 WeakPolarHBondContact O-CD 3.36Å; P1562-F1564 PolarHBondContact O-N 2.86Å; P1562-E1958 VanDerWaalsContact CB-CA 3.48Å; P1562-E1958 HydrophobicContact CB-CB 3.57Å; P1562-E1958 HydrophobicContact CB-CG 3.74Å; P1562-E1958 HydrophobicContact CG-CG 4.22Å
1563	T	56.4	Low	53.8	Low	94 Å²	94	61.9 Å²	61.9	58%	0.577	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.2	-170.8	46.1	0	0	0	0	113.8	S1561 K1565	S1561-T1563 VanDerWaalsContact C-N 3.31Å; S1561-T1563 PolarHBondContact O-N 3.38Å; T1563-K1565 PolarHBondContact O-N 3.33Å; T1563-K1565 VanDerWaalsContact O-N 3.17Å
1564	F	60.5	Low	54	Low	39 Å²	39	58.8 Å²	58.8	17%	0.171	33%	0.331	C	S	.	.			trans	-67.2	111.7	-176.5	-169.4	-85.4	0	0	0	111.8	N1550 P1562 F1566 S1616 R1617 Y1620	N1550-F1564 HydrophobicContact CB-CD2 4.13Å; N1550-F1564 HydrophobicContact CB-CE2 3.76Å; N1550-F1564 HydrophobicContact CB-CZ 4.47Å; N1550-F1564 VanDerWaalsContact CG-CE2 3.48Å; N1550-F1564 WeakPolarHBondContact OD1-CA 3.43Å; N1550-F1564 WeakPolarHBondContact OD1-CD2 3.49Å; P1562-F1564 PolarHBondContact O-N 2.86Å; F1564-F1566 HydrophobicContact CE1-CB 3.74Å; F1564-F1566 HydrophobicContact CZ-CB 4.1Å; F1564-S1616 WeakPolarHBondContact CE1-O 3.49Å; F1564-R1617 HydrophobicContact CD1-CG 3.52Å; F1564-R1617 HydrophobicContact CD2-CG 3.92Å; F1564-R1617 HydrophobicContact CE1-CB 4.19Å; F1564-R1617 HydrophobicContact CE1-CG 3.57Å; F1564-R1617 HydrophobicContact CE2-CG 3.95Å; F1564-R1617 HydrophobicContact CG-CG 3.72Å; F1564-R1617 HydrophobicContact CZ-CB 4.22Å; F1564-R1617 HydrophobicContact CZ-CG 3.8Å; F1564-Y1620 AromaticContact CE2-CD1 3.91Å; F1564-Y1620 HydrophobicContact CE2-CD1 3.91Å; F1564-Y1620 HydrophobicContact CE2-CE1 4.45Å; F1564-Y1620 HydrophobicContact CE2-CG 4.43Å; F1564-Y1620 AromaticContact CZ-CD1 3.82Å; F1564-Y1620 HydrophobicContact CZ-CD1 3.82Å; F1564-Y1620 AromaticContact CZ-CG 3.91Å; F1564-Y1620 HydrophobicContact CZ-CG 3.91Å
1565	K	63.1	Low	53.7	Low	122 Å²	122	59.8 Å²	59.8	53%	0.53	34%	0.335	S	S	.	.			trans	-125.7	107.1	-177.2	-70.9	173.3	-176.6	176	0	109.5	Y1546 V1549 N1550 T1563	Y1546-K1565 WeakPolarHBondContact CD1-O 3.48Å; V1549-K1565 HydrophobicContact CG1-CB 4Å; V1549-K1565 HydrophobicContact CG1-CD 4.32Å; V1549-K1565 HydrophobicContact CG1-CG 4.46Å; N1550-K1565 PolarHBondContact ND2-O 3.43Å; N1550-K1565 PolarHBondContact OD1-N 3.43Å; N1550-K1565 PolarHBondContact OD1-O 2.97Å; T1563-K1565 PolarHBondContact O-N 3.33Å; T1563-K1565 VanDerWaalsContact O-N 3.17Å
1566	F	67.8	Low	54.1	Low	9 Å²	9	55.8 Å²	55.8	4%	0.039	32%	0.315	C	S	.	.			trans	-142.2	127.6	167.2	-179.6	-101.1	0	0	0	108.9	K1542 Y1546 F1564 I1568 S1616 D1619 Y1620 L1623	K1542-F1566 HydrophobicContact CG-CE2 4.02Å; K1542-F1566 HydrophobicContact CG-CZ 4.38Å; Y1546-F1566 AromaticContact CD2-CD2 3.72Å; Y1546-F1566 HydrophobicContact CD2-CD2 3.72Å; Y1546-F1566 HydrophobicContact CD2-CE2 4.22Å; Y1546-F1566 HydrophobicContact CE2-CD2 4.19Å; Y1546-F1566 HydrophobicContact CG-CD2 4.3Å; F1564-F1566 HydrophobicContact CE1-CB 3.74Å; F1564-F1566 HydrophobicContact CZ-CB 4.1Å; F1566-I1568 HydrophobicContact CE1-CD1 3.85Å; F1566-I1568 HydrophobicContact CE1-CG1 3.67Å; F1566-I1568 HydrophobicContact CZ-CD1 3.86Å; F1566-I1568 HydrophobicContact CZ-CG1 3.71Å; F1566-S1616 WeakPolarHBondContact CD1-O 3.44Å; F1566-S1616 WeakPolarHBondContact O-CB 3.22Å; F1566-S1616 PolarHBondContact O-OG 3.42Å; F1566-D1619 HydrophobicContact CD1-CB 4.26Å; F1566-D1619 HydrophobicContact CE1-CB 3.7Å; F1566-Y1620 AromaticContact CD2-CD2 3.65Å; F1566-Y1620 HydrophobicContact CD2-CD2 3.65Å; F1566-Y1620 HydrophobicContact CD2-CG 4.23Å; F1566-Y1620 HydrophobicContact CE2-CD2 4.14Å; F1566-Y1620 HydrophobicContact CG-CD2 4.25Å; F1566-Y1620 HydrophobicContact CG-CG 4.4Å; F1566-L1623 HydrophobicContact CE2-CD1 4.31Å; F1566-L1623 HydrophobicContact CZ-CD1 3.84Å
1567	A	64.6	Low	54.8	Low	40 Å²	40	58.8 Å²	58.8	33%	0.331	32%	0.318	S	S	.	.			trans	-148.2	132.3	179.3	0	0	0	0	0	110.8	K1542 Y1546	K1542-A1567 VanDerWaalsContact CE-O 3.29Å; K1542-A1567 WeakPolarHBondContact CE-O 3.36Å; K1542-A1567 PolarHBondContact NZ-O 3.01Å; Y1546-A1567 PolarHBondContact OH-O 3.09Å
1568	I	67.9	Low	55.8	Low	24 Å²	24	54.9 Å²	54.9	12%	0.123	30%	0.296	C	S	.	.			trans	-103.7	135.5	168.3	-43.1	-179.5	0	0	0	106.2	F1566 E1570 L1695 A1698 E1702	F1566-I1568 HydrophobicContact CE1-CD1 3.85Å; F1566-I1568 HydrophobicContact CE1-CG1 3.67Å; F1566-I1568 HydrophobicContact CZ-CD1 3.86Å; F1566-I1568 HydrophobicContact CZ-CG1 3.71Å; I1568-E1570 HydrophobicContact CB-CG 4.15Å; I1568-E1570 WeakPolarHBondContact CB-OE1 3.32Å; I1568-E1570 HydrophobicContact CG2-CG 3.85Å; I1568-E1570 PolarHBondContact O-N 3.32Å; I1568-L1695 HydrophobicContact CD1-CD2 3.34Å; I1568-A1698 HydrophobicContact CG2-CB 4Å; I1568-E1702 WeakPolarHBondContact CA-OE2 3.43Å; I1568-E1702 VanDerWaalsContact CG2-OE2 3.24Å; I1568-E1702 WeakPolarHBondContact CG2-OE2 3.33Å
1569	H	57.9	Low	56.8	Low	72 Å²	72	51.5 Å²	51.5	33%	0.333	28%	0.279	S	S	.	.			trans	-84.5	52	-167.7	-78.4	-73.4	0	0	0	113.2	G1571 E1702 R1728	H1569-G1571 VanDerWaalsContact C-N 3.34Å; H1569-G1571 PolarHBondContact O-N 3.09Å; H1569-E1702 HydrophobicContact CB-CG 4.28Å; H1569-E1702 IonicContact CD2-OE1 2.71Å; H1569-E1702 PolarHBondContact CD2-OE1 2.81Å; H1569-E1702 PolarHBondContact N-OE2 2.61Å; H1569-R1728 PolarHBondContact NE2-NE 3.25Å; H1569-R1728 VanDerWaalsContact NE2-NE 3.13Å; H1569-R1728 PolarHBondContact NE2-NH2 3.48Å
1570	E	53.6	Low	57.9	Low	25 Å²	25	49.6 Å²	49.6	12%	0.117	27%	0.265	C	S	.	.			trans	-81	75.7	-174.1	-66.4	179.6	-105.4	0	0	112	I1568 G1572 T1574 L1576 A1698	I1568-E1570 HydrophobicContact CB-CG 4.15Å; I1568-E1570 WeakPolarHBondContact CB-OE1 3.32Å; I1568-E1570 HydrophobicContact CG2-CG 3.85Å; I1568-E1570 PolarHBondContact O-N 3.32Å; E1570-G1572 PolarHBondContact O-N 3.18Å; E1570-T1574 HydrophobicContact CG-CG2 4.21Å; E1570-T1574 VanDerWaalsContact OE2-CB 3.25Å; E1570-T1574 WeakPolarHBondContact OE2-CB 3.48Å; E1570-T1574 PolarHBondContact OE2-OG1 3.18Å; E1570-L1576 WeakPolarHBondContact OE1-CD1 3.47Å; E1570-L1576 WeakPolarHBondContact OE2-CB 3.41Å; E1570-L1576 WeakPolarHBondContact OE2-CD1 3.31Å; E1570-A1698 HydrophobicContact CG-CB 3.77Å; E1570-A1698 WeakPolarHBondContact OE2-CB 3.21Å
1571	G	48.2	Very low	59	Low	10 Å²	10	45.7 Å²	45.7	10%	0.103	25%	0.25	C	C	.	.			trans	-71.5	71.4	170.1	0	0	0	0	0	111.9	H1569 L1573 I1739	H1569-G1571 VanDerWaalsContact C-N 3.34Å; H1569-G1571 PolarHBondContact O-N 3.09Å; G1571-L1573 WeakPolarHBondContact O-CG 3.33Å; G1571-L1573 PolarHBondContact O-N 2.88Å; G1571-I1739 VanDerWaalsContact C-CD1 3.45Å; G1571-I1739 VanDerWaalsContact C-CG1 3.41Å; G1571-I1739 WeakPolarHBondContact O-CG1 3.4Å
1572	G	53	Low	60	Low	37 Å²	37	49.4 Å²	49.4	38%	0.381	26%	0.264	S	S	.	.	S	Bend	trans	64.4	0.5	168.4	0	0	0	0	0	117.5	E1570 T1574	E1570-G1572 PolarHBondContact O-N 3.18Å; G1572-T1574 VanDerWaalsContact C-N 3.25Å; G1572-T1574 PolarHBondContact O-N 3.45Å
1573	L	57	Low	60.6	Low	12 Å²	12	47.5 Å²	47.5	6%	0.063	25%	0.25	C	S	.	.	S	Bend	trans	-83.5	5.7	-178.7	-69.4	161.5	0	0	0	113.5	G1571 V1701 L1705 L1738 L1770	G1571-L1573 WeakPolarHBondContact O-CG 3.33Å; G1571-L1573 PolarHBondContact O-N 2.88Å; L1573-V1701 HydrophobicContact CB-CG1 4Å; L1573-V1701 HydrophobicContact CD1-CG1 4.08Å; L1573-L1705 HydrophobicContact CD1-CD1 4.04Å; L1573-L1738 HydrophobicContact CD1-CB 4.44Å; L1573-L1738 HydrophobicContact CD1-CD1 4Å; L1573-L1738 HydrophobicContact CD2-CB 4.24Å; L1573-L1738 HydrophobicContact CD2-CD1 4.49Å; L1573-L1770 HydrophobicContact CB-CD2 4.2Å; L1573-L1770 HydrophobicContact CD2-CD1 3.86Å; L1573-L1770 HydrophobicContact CD2-CD2 4.05Å
1574	T	63.3	Low	61	Low	12 Å²	12	47.4 Å²	47.4	7%	0.074	24%	0.24	C	C	.	.	S	Bend	trans	-139.9	154	-171.4	58.9	0	0	0	0	111.3	E1570 G1572 L1576 A1698 V1701 M1773	E1570-T1574 HydrophobicContact CG-CG2 4.21Å; E1570-T1574 VanDerWaalsContact OE2-CB 3.25Å; E1570-T1574 WeakPolarHBondContact OE2-CB 3.48Å; E1570-T1574 PolarHBondContact OE2-OG1 3.18Å; G1572-T1574 VanDerWaalsContact C-N 3.25Å; G1572-T1574 PolarHBondContact O-N 3.45Å; T1574-L1576 PolarHBondContact O-N 3.05Å; T1574-A1698 HydrophobicContact CG2-CB 4.24Å; T1574-V1701 HydrophobicContact CG2-CG2 4.42Å; T1574-M1773 HydrophobicContact CG2-CE 4.38Å
1575	L	57	Low	61.1	Low	31 Å²	31	47.8 Å²	47.8	16%	0.162	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.7	178.7	-82.4	175.6	0	0	0	114.5	R1577 S1578 V1579 L1694 L1777 M1780	L1575-R1577 PolarHBondContact O-N 3.02Å; L1575-R1577 VanDerWaalsContact O-N 3.16Å; L1575-S1578 WeakPolarHBondContact CD2-OG 3.47Å; L1575-S1578 PolarHBondContact O-N 3.24Å; L1575-S1578 PolarHBondContact O-OG 3.3Å; L1575-V1579 WeakPolarHBondContact O-CG2 3.5Å; L1575-V1579 PolarHBondContact O-N 2.81Å; L1575-L1694 HydrophobicContact CB-CD2 3.52Å; L1575-L1694 HydrophobicContact CD1-CD2 4.49Å; L1575-L1777 HydrophobicContact CD1-CD1 3.61Å; L1575-L1777 HydrophobicContact CD1-CG 4.05Å; L1575-L1777 HydrophobicContact CD2-CD1 3.73Å; L1575-L1777 HydrophobicContact CD2-CD2 4.31Å; L1575-L1777 HydrophobicContact CD2-CG 3.93Å; L1575-L1777 HydrophobicContact CG-CD1 3.59Å; L1575-L1777 HydrophobicContact CG-CG 4.25Å; L1575-M1780 HydrophobicContact CD1-SD 3.52Å; L1575-M1780 VanDerWaalsContact CD1-SD 3.52Å
1576	L	62.9	Low	61	Low	3 Å²	3	44.9 Å²	44.9	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-54.4	-36.5	177.1	-94.4	151.4	0	0	0	111.9	E1570 T1574 W1580 L1694 L1695 A1698	E1570-L1576 WeakPolarHBondContact OE1-CD1 3.47Å; E1570-L1576 WeakPolarHBondContact OE2-CB 3.41Å; E1570-L1576 WeakPolarHBondContact OE2-CD1 3.31Å; T1574-L1576 PolarHBondContact O-N 3.05Å; L1576-W1580 HydrophobicContact CB-CZ2 4.38Å; L1576-W1580 HydrophobicContact CD2-CZ2 3.82Å; L1576-W1580 WeakPolarHBondContact O-CB 3.47Å; L1576-W1580 VanDerWaalsContact O-CD1 3.32Å; L1576-W1580 PolarHBondContact O-N 2.6Å; L1576-L1694 HydrophobicContact CD1-CB 3.76Å; L1576-L1694 HydrophobicContact CD2-CB 4.46Å; L1576-L1694 HydrophobicContact CD2-CD1 4.3Å; L1576-L1694 HydrophobicContact CG-CB 3.81Å; L1576-L1694 HydrophobicContact CG-CD1 4.11Å; L1576-L1694 HydrophobicContact CG-CG 4.43Å; L1576-L1695 HydrophobicContact CD1-CD2 4.11Å; L1576-A1698 HydrophobicContact CD1-CB 4.24Å
1577	R	63.5	Low	60.5	Low	117 Å²	117	45.2 Å²	45.2	44%	0.442	24%	0.24	S	C	.	.	H	α-helix	trans	-75.6	-33.7	-178.4	-169.8	51.1	179.4	-94.6	-2.4	114.1	L1575 N1581	L1575-R1577 PolarHBondContact O-N 3.02Å; L1575-R1577 VanDerWaalsContact O-N 3.16Å; R1577-N1581 PolarHBondContact NE-OD1 3.06Å; R1577-N1581 WeakPolarHBondContact O-CB 3.25Å; R1577-N1581 PolarHBondContact O-N 3.24Å; R1577-N1581 PolarHBondContact O-ND2 2.99Å; R1577-N1581 PolarHBondContact O-OD1 3.05Å
1578	S	61.6	Low	60.2	Low	48 Å²	48	44.9 Å²	44.9	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-69.3	-43	171.9	41.8	0	0	0	0	110.9	L1575 W1580 N1581 E1582	L1575-S1578 WeakPolarHBondContact CD2-OG 3.47Å; L1575-S1578 PolarHBondContact O-N 3.24Å; L1575-S1578 PolarHBondContact O-OG 3.3Å; S1578-W1580 PolarHBondContact O-N 3.25Å; S1578-N1581 WeakPolarHBondContact O-CB 3.18Å; S1578-N1581 PolarHBondContact O-N 3.3Å; S1578-N1581 VanDerWaalsContact O-N 3.12Å; S1578-E1582 PolarHBondContact O-N 2.95Å
1579	V	60.9	Low	59.9	Low	33 Å²	33	48.4 Å²	48.4	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-46.6	176.6	174.1	0	0	0	0	111.6	L1575 N1581 E1582 E1583	L1575-V1579 WeakPolarHBondContact O-CG2 3.5Å; L1575-V1579 PolarHBondContact O-N 2.81Å; V1579-N1581 VanDerWaalsContact C-N 3.31Å; V1579-N1581 PolarHBondContact O-N 3.24Å; V1579-E1582 PolarHBondContact O-N 3.15Å; V1579-E1583 PolarHBondContact O-N 2.98Å
1580	W	66.3	Low	60	Low	64 Å²	64	49.1 Å²	49.1	24%	0.242	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-35.7	175.6	-63.6	-12.2	0	0	0	113.2	L1576 S1578 Y1584 Q1611 H1615	L1576-W1580 HydrophobicContact CB-CZ2 4.38Å; L1576-W1580 HydrophobicContact CD2-CZ2 3.82Å; L1576-W1580 WeakPolarHBondContact O-CB 3.47Å; L1576-W1580 VanDerWaalsContact O-CD1 3.32Å; L1576-W1580 PolarHBondContact O-N 2.6Å; S1578-W1580 PolarHBondContact O-N 3.25Å; W1580-Y1584 VanDerWaalsContact O-CB 3.3Å; W1580-Y1584 WeakPolarHBondContact O-CB 3.46Å; W1580-Y1584 PolarHBondContact O-N 3.03Å; W1580-Q1611 PolarHBondContact O-NE2 2.94Å; W1580-H1615 AromaticContact CD1-CE1 3.35Å; W1580-H1615 AromaticContact CD1-CG 3.93Å; W1580-H1615 AromaticContact CD1-ND1 3.46Å; W1580-H1615 AromaticContact CD1-NE2 3.75Å; W1580-H1615 HydrophobicContact CZ2-CB 4.36Å; W1580-H1615 AromaticContact NE1-CE1 3.8Å; W1580-H1615 AromaticContact NE1-CG 3.74Å; W1580-H1615 AromaticContact NE1-ND1 3.39Å; W1580-H1615 PolarHBondContact NE1-ND1 2.8Å
1581	N	63.2	Low	59.9	Low	85 Å²	85	49.7 Å²	49.7	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-71.2	-37.1	176.8	-67.9	-14.1	0	0	0	111.7	R1577 S1578 V1579 Y1584 A1585	R1577-N1581 PolarHBondContact NE-OD1 3.06Å; R1577-N1581 WeakPolarHBondContact O-CB 3.25Å; R1577-N1581 PolarHBondContact O-N 3.24Å; R1577-N1581 PolarHBondContact O-ND2 2.99Å; R1577-N1581 PolarHBondContact O-OD1 3.05Å; S1578-N1581 WeakPolarHBondContact O-CB 3.18Å; S1578-N1581 PolarHBondContact O-N 3.3Å; S1578-N1581 VanDerWaalsContact O-N 3.12Å; V1579-N1581 VanDerWaalsContact C-N 3.31Å; V1579-N1581 PolarHBondContact O-N 3.24Å; N1581-Y1584 PolarHBondContact O-N 3.26Å; N1581-A1585 PolarHBondContact O-N 3.41Å
1582	E	62.4	Low	60.2	Low	103 Å²	103	55 Å²	55	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-67.6	-46.1	174.3	-81.4	-170.5	-146.3	0	0	112.3	S1578 V1579 Y1584 A1585 K1586	S1578-E1582 PolarHBondContact O-N 2.95Å; V1579-E1582 PolarHBondContact O-N 3.15Å; E1582-Y1584 VanDerWaalsContact C-N 3.29Å; E1582-Y1584 PolarHBondContact O-N 2.91Å; E1582-A1585 PolarHBondContact O-N 3.37Å; E1582-K1586 WeakPolarHBondContact O-CG 3.47Å; E1582-K1586 PolarHBondContact O-N 3.41Å
1583	E	62.1	Low	60.4	Low	17 Å²	17	58.8 Å²	58.8	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-55.5	-48.5	172.4	-76.6	-175	-147.1	0	0	110	V1579 A1585 K1586 I1587 H1615	V1579-E1583 PolarHBondContact O-N 2.98Å; E1583-A1585 VanDerWaalsContact C-N 3.34Å; E1583-A1585 PolarHBondContact O-N 2.94Å; E1583-K1586 PolarHBondContact O-N 3.37Å; E1583-I1587 HydrophobicContact CB-CD1 4.32Å; E1583-I1587 WeakPolarHBondContact O-CD1 3.34Å; E1583-I1587 WeakPolarHBondContact O-CG1 3.33Å; E1583-I1587 PolarHBondContact O-N 3.28Å; E1583-H1615 IonicContact OE2-CE1 3.33Å; E1583-H1615 PolarHBondContact OE2-CE1 3.34Å; E1583-H1615 VanDerWaalsContact OE2-CE1 3.27Å; E1583-H1615 IonicContact OE2-NE2 3.54Å
1584	Y	63.5	Low	60.2	Low	93 Å²	93	62.9 Å²	62.9	37%	0.365	33%	0.325	S	S	.	.	H	α-helix	trans	-55	-45	176.3	172.2	-102.4	0	0	0	112.9	W1580 N1581 E1582 I1587 S1588 I1608	W1580-Y1584 VanDerWaalsContact O-CB 3.3Å; W1580-Y1584 WeakPolarHBondContact O-CB 3.46Å; W1580-Y1584 PolarHBondContact O-N 3.03Å; N1581-Y1584 PolarHBondContact O-N 3.26Å; E1582-Y1584 VanDerWaalsContact C-N 3.29Å; E1582-Y1584 PolarHBondContact O-N 2.91Å; Y1584-I1587 PolarHBondContact O-N 2.9Å; Y1584-S1588 VanDerWaalsContact O-CB 3.27Å; Y1584-S1588 WeakPolarHBondContact O-CB 3.34Å; Y1584-S1588 PolarHBondContact O-N 3.27Å; Y1584-I1608 HydrophobicContact CD2-CG1 4.48Å; Y1584-I1608 HydrophobicContact CE2-CD1 4.24Å; Y1584-I1608 HydrophobicContact CE2-CG1 3.69Å
1585	A	63.6	Low	59.4	Low	47 Å²	47	65.2 Å²	65.2	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-43.9	178.2	0	0	0	0	0	112.2	N1581 E1582 E1583 S1588 N1589	N1581-A1585 PolarHBondContact O-N 3.41Å; E1582-A1585 PolarHBondContact O-N 3.37Å; E1583-A1585 VanDerWaalsContact C-N 3.34Å; E1583-A1585 PolarHBondContact O-N 2.94Å; A1585-S1588 PolarHBondContact O-N 3.32Å; A1585-N1589 VanDerWaalsContact O-CG 3.28Å; A1585-N1589 PolarHBondContact O-N 2.9Å; A1585-N1589 VanDerWaalsContact O-N 3.1Å; A1585-N1589 PolarHBondContact O-ND2 2.89Å
1586	K	60.6	Low	58.5	Low	61 Å²	61	67.8 Å²	67.8	27%	0.265	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-43.5	177.8	-62.7	170.9	-163.9	173.2	0	111.6	E1582 E1583 N1589 I1590 V1784 T1785	E1582-K1586 WeakPolarHBondContact O-CG 3.47Å; E1582-K1586 PolarHBondContact O-N 3.41Å; E1583-K1586 PolarHBondContact O-N 3.37Å; K1586-N1589 PolarHBondContact O-N 2.87Å; K1586-I1590 WeakPolarHBondContact O-CG1 3.3Å; K1586-I1590 PolarHBondContact O-N 2.82Å; K1586-V1784 PolarHBondContact NZ-O 3.49Å; K1586-T1785 HydrophobicContact CB-CG2 4.25Å; K1586-T1785 HydrophobicContact CD-CG2 3.37Å; K1586-T1785 HydrophobicContact CG-CG2 4.43Å; K1586-T1785 PolarHBondContact NZ-OG1 2.8Å
1587	I	58.3	Low	57.6	Low	16 Å²	16	76.3 Å²	76.3	8%	0.082	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-44.2	175.6	-60.6	152.1	0	0	0	110.8	E1583 Y1584 N1589 I1590 C1591 I1607 Q1611 L1650 L1654	E1583-I1587 HydrophobicContact CB-CD1 4.32Å; E1583-I1587 WeakPolarHBondContact O-CD1 3.34Å; E1583-I1587 WeakPolarHBondContact O-CG1 3.33Å; E1583-I1587 PolarHBondContact O-N 3.28Å; Y1584-I1587 PolarHBondContact O-N 2.9Å; I1587-N1589 VanDerWaalsContact C-N 3.31Å; I1587-N1589 PolarHBondContact O-N 3.24Å; I1587-I1590 PolarHBondContact O-N 3.1Å; I1587-I1590 VanDerWaalsContact O-N 3.15Å; I1587-C1591 PolarHBondContact O-N 3.4Å; I1587-C1591 PolarHBondContact O-SG 3.32Å; I1587-I1607 HydrophobicContact CG2-CG2 4.23Å; I1587-Q1611 HydrophobicContact CD1-CG 4.44Å; I1587-L1650 HydrophobicContact CD1-CD2 3.26Å; I1587-L1650 HydrophobicContact CG1-CD2 4.07Å; I1587-L1654 HydrophobicContact CG2-CD1 3.95Å
1588	S	57.6	Low	56.6	Low	33 Å²	33	75.6 Å²	75.6	23%	0.231	41%	0.407	C	S	.	.	H	α-helix	trans	-59.6	-42.3	179.6	-167.2	0	0	0	0	111.6	Y1584 A1585 C1591 Q1592	Y1584-S1588 VanDerWaalsContact O-CB 3.27Å; Y1584-S1588 WeakPolarHBondContact O-CB 3.34Å; Y1584-S1588 PolarHBondContact O-N 3.27Å; A1585-S1588 PolarHBondContact O-N 3.32Å; S1588-C1591 PolarHBondContact O-N 3.03Å; S1588-Q1592 WeakPolarHBondContact O-CB 3.3Å; S1588-Q1592 WeakPolarHBondContact O-CG 3.44Å; S1588-Q1592 PolarHBondContact O-N 3.44Å; S1588-Q1592 PolarHBondContact O-NE2 3.05Å; S1588-Q1592 PolarHBondContact OG-NE2 3.45Å
1589	N	61.9	Low	55.9	Low	98 Å²	98	78.7 Å²	78.7	52%	0.524	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-44	174.8	-67	-14.4	0	0	0	112	A1585 K1586 I1587 Q1592 T1593	A1585-N1589 VanDerWaalsContact O-CG 3.28Å; A1585-N1589 PolarHBondContact O-N 2.9Å; A1585-N1589 VanDerWaalsContact O-N 3.1Å; A1585-N1589 PolarHBondContact O-ND2 2.89Å; K1586-N1589 PolarHBondContact O-N 2.87Å; I1587-N1589 VanDerWaalsContact C-N 3.31Å; I1587-N1589 PolarHBondContact O-N 3.24Å; N1589-Q1592 PolarHBondContact O-N 2.92Å; N1589-T1593 PolarHBondContact O-N 2.91Å; N1589-T1593 VanDerWaalsContact O-N 3.1Å; N1589-T1593 PolarHBondContact O-OG1 3.45Å
1590	I	59.5	Low	55.1	Low	87 Å²	87	80.1 Å²	80.1	45%	0.446	42%	0.423	S	S	.	.	H	α-helix	trans	-62.6	-44.3	177.3	-66.8	164.9	0	0	0	111	K1586 I1587 Q1592 T1593 I1594	K1586-I1590 WeakPolarHBondContact O-CG1 3.3Å; K1586-I1590 PolarHBondContact O-N 2.82Å; I1587-I1590 PolarHBondContact O-N 3.1Å; I1587-I1590 VanDerWaalsContact O-N 3.15Å; I1590-Q1592 PolarHBondContact O-N 3.25Å; I1590-T1593 WeakPolarHBondContact CA-OG1 3.5Å; I1590-T1593 PolarHBondContact O-N 3.43Å; I1590-T1593 PolarHBondContact O-OG1 2.95Å; I1590-I1594 HydrophobicContact CG2-CD1 3.83Å; I1590-I1594 WeakPolarHBondContact O-CD1 3.48Å; I1590-I1594 VanDerWaalsContact O-CG1 3.31Å; I1590-I1594 WeakPolarHBondContact O-CG1 3.34Å
1591	C	52.2	Low	54.1	Low	36 Å²	36	80.9 Å²	80.9	24%	0.243	44%	0.443	C	S	.	.	H	α-helix	trans	-65.3	-37.3	176.4	-67.6	0	0	0	0	112.5	I1587 S1588 T1593 I1594 I1607	I1587-C1591 PolarHBondContact O-N 3.4Å; I1587-C1591 PolarHBondContact O-SG 3.32Å; S1588-C1591 PolarHBondContact O-N 3.03Å; C1591-T1593 VanDerWaalsContact C-N 3.29Å; C1591-T1593 PolarHBondContact O-N 3.15Å; C1591-I1594 PolarHBondContact O-N 3.01Å; C1591-I1607 HydrophobicContact CB-CD1 4.28Å
1592	Q	54.4	Low	53.3	Low	121 Å²	121	86.9 Å²	86.9	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-30.2	175.2	-74.7	170.7	54	0	0	112.8	S1588 N1589 I1590 I1594	S1588-Q1592 WeakPolarHBondContact O-CB 3.3Å; S1588-Q1592 WeakPolarHBondContact O-CG 3.44Å; S1588-Q1592 PolarHBondContact O-N 3.44Å; S1588-Q1592 PolarHBondContact O-NE2 3.05Å; S1588-Q1592 PolarHBondContact OG-NE2 3.45Å; N1589-Q1592 PolarHBondContact O-N 2.92Å; I1590-Q1592 PolarHBondContact O-N 3.25Å; Q1592-I1594 VanDerWaalsContact C-N 3.33Å; Q1592-I1594 PolarHBondContact O-N 2.83Å
1593	T	56.7	Low	52.9	Low	117 Å²	117	83.8 Å²	83.8	72%	0.718	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.8	174.9	42.3	0	0	0	0	115.2	N1589 I1590 C1591	N1589-T1593 PolarHBondContact O-N 2.91Å; N1589-T1593 VanDerWaalsContact O-N 3.1Å; N1589-T1593 PolarHBondContact O-OG1 3.45Å; I1590-T1593 WeakPolarHBondContact CA-OG1 3.5Å; I1590-T1593 PolarHBondContact O-N 3.43Å; I1590-T1593 PolarHBondContact O-OG1 2.95Å; C1591-T1593 VanDerWaalsContact C-N 3.29Å; C1591-T1593 PolarHBondContact O-N 3.15Å
1594	I	52.4	Low	52.4	Low	99 Å²	99	85.3 Å²	85.3	51%	0.508	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-24.7	-167.2	-66.6	170.4	0	0	0	113.9	I1590 C1591 Q1592	I1590-I1594 HydrophobicContact CG2-CD1 3.83Å; I1590-I1594 WeakPolarHBondContact O-CD1 3.48Å; I1590-I1594 VanDerWaalsContact O-CG1 3.31Å; I1590-I1594 WeakPolarHBondContact O-CG1 3.34Å; C1591-I1594 PolarHBondContact O-N 3.01Å; Q1592-I1594 VanDerWaalsContact C-N 3.33Å; Q1592-I1594 PolarHBondContact O-N 2.83Å
1595	Q	46.5	Very low	52	Low	60 Å²	60	86.1 Å²	86.1	28%	0.28	47%	0.465	S	S	.	.	S	Bend	trans	-126.4	148	-169.6	-66	-169.5	-20.6	0	0	115.2	N1603	Q1595-N1603 PolarHBondContact OE1-ND2 3.02Å
1596	S	38.7	Very low	51.7	Low	85 Å²	85	88.5 Å²	88.5	59%	0.594	47%	0.471	S	S	*	.			trans	-79.3	157.1	-179.4	79.6	0	0	0	0	113.3	S1598	S1596-S1598 VanDerWaalsContact C-N 3.26Å; S1596-S1598 PolarHBondContact O-N 3.36Å
1597	H	43.3	Very low	51.6	Low	183 Å²	183	87.4 Å²	87.4	85%	0.847	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-12.8	-157.8	-100.6	-70.1	0	0	0	118.6
1598	S	43.6	Very low	51.7	Low	101 Å²	101	89.3 Å²	89.3	71%	0.706	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-25.3	-171.2	49.7	0	0	0	0	115.9	S1596	S1596-S1598 VanDerWaalsContact C-N 3.26Å; S1596-S1598 PolarHBondContact O-N 3.36Å
1599	E	45.6	Very low	52	Low	113 Å²	113	92.8 Å²	92.8	53%	0.528	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-19.1	-172.1	-60.1	-174	152.6	0	0	113.2	A1601 R1602 N1603	E1599-A1601 PolarHBondContact O-N 2.69Å; E1599-R1602 PolarHBondContact O-N 3.49Å; E1599-R1602 VanDerWaalsContact O-N 3.12Å; E1599-N1603 PolarHBondContact O-N 3.37Å
1600	I	45.1	Very low	51.9	Low	63 Å²	63	89.7 Å²	89.7	32%	0.323	47%	0.473	S	S	.	.	H	α-helix	trans	-48.3	-40	-173.9	-57.5	179.2	0	0	0	112.7	R1602 N1603 S1604	I1600-R1602 PolarHBondContact O-N 3.09Å; I1600-N1603 PolarHBondContact O-N 3.16Å; I1600-S1604 VanDerWaalsContact O-CB 3.27Å; I1600-S1604 WeakPolarHBondContact O-CB 3.22Å; I1600-S1604 PolarHBondContact O-N 2.84Å; I1600-S1604 PolarHBondContact O-OG 3.46Å
1601	A	44.3	Very low	52.2	Low	81 Å²	81	86.2 Å²	86.2	67%	0.669	46%	0.455	S	S	*	.	H	α-helix	trans	-65	-38.1	-175.7	0	0	0	0	0	113.8	E1599 S1604	E1599-A1601 PolarHBondContact O-N 2.69Å; A1601-S1604 PolarHBondContact O-OG 3.24Å; A1601-S1604 VanDerWaalsContact O-OG 3.08Å
1602	R	46.7	Very low	52.8	Low	210 Å²	210	92.6 Å²	92.6	79%	0.792	47%	0.474	S	S	*	.	H	α-helix	trans	-82.1	-37.7	175.4	-75.9	-175.8	175	134	-1	111.9	E1599 I1600 S1604 L1606	E1599-R1602 PolarHBondContact O-N 3.49Å; E1599-R1602 VanDerWaalsContact O-N 3.12Å; I1600-R1602 PolarHBondContact O-N 3.09Å; R1602-S1604 VanDerWaalsContact C-N 3.31Å; R1602-S1604 PolarHBondContact O-N 3.29Å; R1602-L1606 PolarHBondContact O-N 2.74Å
1603	N	53.6	Low	53.4	Low	39 Å²	39	90.6 Å²	90.6	21%	0.209	47%	0.466	C	S	.	.	H	α-helix	trans	-66.5	-35.4	-178.3	-64.2	-2.1	0	0	0	111.1	Q1595 E1599 I1600 E1605 L1606 I1607	Q1595-N1603 PolarHBondContact OE1-ND2 3.02Å; E1599-N1603 PolarHBondContact O-N 3.37Å; I1600-N1603 PolarHBondContact O-N 3.16Å; N1603-E1605 PolarHBondContact O-N 2.89Å; N1603-L1606 PolarHBondContact O-N 3.05Å; N1603-I1607 WeakPolarHBondContact O-CD1 3.45Å; N1603-I1607 VanDerWaalsContact O-CG1 3.24Å; N1603-I1607 WeakPolarHBondContact O-CG1 3.41Å; N1603-I1607 PolarHBondContact O-N 2.93Å
1604	S	51.5	Low	54.2	Low	48 Å²	48	85.8 Å²	85.8	34%	0.336	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-42.7	178.9	66.9	0	0	0	0	114.3	I1600 A1601 R1602 I1607 I1608	I1600-S1604 VanDerWaalsContact O-CB 3.27Å; I1600-S1604 WeakPolarHBondContact O-CB 3.22Å; I1600-S1604 PolarHBondContact O-N 2.84Å; I1600-S1604 PolarHBondContact O-OG 3.46Å; A1601-S1604 PolarHBondContact O-OG 3.24Å; A1601-S1604 VanDerWaalsContact O-OG 3.08Å; R1602-S1604 VanDerWaalsContact C-N 3.31Å; R1602-S1604 PolarHBondContact O-N 3.29Å; S1604-I1607 PolarHBondContact O-N 3.03Å; S1604-I1608 WeakPolarHBondContact O-CD1 3.13Å; S1604-I1608 VanDerWaalsContact O-CG1 3.31Å; S1604-I1608 WeakPolarHBondContact O-CG1 3.24Å; S1604-I1608 PolarHBondContact O-N 3.35Å
1605	E	55.2	Low	55.2	Low	110 Å²	110	81.4 Å²	81.4	51%	0.514	41%	0.412	S	S	.	.	H	α-helix	trans	-68.9	-37.4	178.6	-161.2	-167.4	147.8	0	0	111.5	N1603 I1608 K1609	N1603-E1605 PolarHBondContact O-N 2.89Å; E1605-I1608 PolarHBondContact O-N 3.08Å; E1605-K1609 WeakPolarHBondContact O-CG 3.34Å; E1605-K1609 PolarHBondContact O-N 3.31Å; E1605-K1609 WeakPolarHBondContact OE1-CE 3.4Å; E1605-K1609 IonicContact OE1-NZ 3.45Å; E1605-K1609 PolarHBondContact OE1-NZ 3.48Å
1606	L	57.4	Low	56.5	Low	98 Å²	98	80.3 Å²	80.3	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-64.9	-40.9	174.5	-69	170.1	0	0	0	111.8	R1602 N1603 K1609 T1610	R1602-L1606 PolarHBondContact O-N 2.74Å; N1603-L1606 PolarHBondContact O-N 3.05Å; L1606-K1609 PolarHBondContact O-N 2.9Å; L1606-T1610 VanDerWaalsContact O-CB 3.28Å; L1606-T1610 WeakPolarHBondContact O-CB 3.37Å; L1606-T1610 PolarHBondContact O-N 3.39Å; L1606-T1610 PolarHBondContact O-OG1 2.95Å
1607	I	60	Low	58.3	Low	38 Å²	38	77.9 Å²	77.9	20%	0.195	39%	0.389	C	S	.	.	H	α-helix	trans	-61.1	-46.9	174.6	-70	159.7	0	0	0	110.4	I1587 C1591 N1603 S1604 K1609 T1610 Q1611	I1587-I1607 HydrophobicContact CG2-CG2 4.23Å; C1591-I1607 HydrophobicContact CB-CD1 4.28Å; N1603-I1607 WeakPolarHBondContact O-CD1 3.45Å; N1603-I1607 VanDerWaalsContact O-CG1 3.24Å; N1603-I1607 WeakPolarHBondContact O-CG1 3.41Å; N1603-I1607 PolarHBondContact O-N 2.93Å; S1604-I1607 PolarHBondContact O-N 3.03Å; I1607-K1609 PolarHBondContact O-N 3.26Å; I1607-T1610 PolarHBondContact O-N 3.31Å; I1607-Q1611 WeakPolarHBondContact O-CB 3.41Å; I1607-Q1611 PolarHBondContact O-N 3.01Å
1608	I	59.5	Low	60.1	Low	55 Å²	55	69.2 Å²	69.2	28%	0.282	35%	0.349	S	S	.	.	H	α-helix	trans	-61.2	-42.2	178.6	-68.8	163.5	0	0	0	111.7	Y1584 S1604 E1605 R1612	Y1584-I1608 HydrophobicContact CD2-CG1 4.48Å; Y1584-I1608 HydrophobicContact CE2-CD1 4.24Å; Y1584-I1608 HydrophobicContact CE2-CG1 3.69Å; S1604-I1608 WeakPolarHBondContact O-CD1 3.13Å; S1604-I1608 VanDerWaalsContact O-CG1 3.31Å; S1604-I1608 WeakPolarHBondContact O-CG1 3.24Å; S1604-I1608 PolarHBondContact O-N 3.35Å; E1605-I1608 PolarHBondContact O-N 3.08Å; I1608-R1612 WeakPolarHBondContact O-CG 3.5Å; I1608-R1612 PolarHBondContact O-N 2.77Å
1609	K	63.2	Low	62.1	Low	106 Å²	106	64.6 Å²	64.6	46%	0.461	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-47.7	175.8	-72.1	175.6	-174.8	172	0	111.4	E1605 L1606 I1607 Q1611 R1612 I1613	E1605-K1609 WeakPolarHBondContact O-CG 3.34Å; E1605-K1609 PolarHBondContact O-N 3.31Å; E1605-K1609 WeakPolarHBondContact OE1-CE 3.4Å; E1605-K1609 IonicContact OE1-NZ 3.45Å; E1605-K1609 PolarHBondContact OE1-NZ 3.48Å; L1606-K1609 PolarHBondContact O-N 2.9Å; I1607-K1609 PolarHBondContact O-N 3.26Å; K1609-Q1611 PolarHBondContact O-N 2.83Å; K1609-R1612 PolarHBondContact O-N 3.34Å; K1609-I1613 VanDerWaalsContact O-CG1 3.29Å; K1609-I1613 WeakPolarHBondContact O-CG1 3.31Å; K1609-I1613 PolarHBondContact O-N 2.67Å
1610	T	60.9	Low	64	Low	33 Å²	33	59.6 Å²	59.6	20%	0.202	29%	0.293	C	S	.	.	H	α-helix	trans	-58.4	-45.9	179.5	-58.6	0	0	0	0	111.8	L1606 I1607 I1613 W1614 M1657	L1606-T1610 VanDerWaalsContact O-CB 3.28Å; L1606-T1610 WeakPolarHBondContact O-CB 3.37Å; L1606-T1610 PolarHBondContact O-N 3.39Å; L1606-T1610 PolarHBondContact O-OG1 2.95Å; I1607-T1610 PolarHBondContact O-N 3.31Å; T1610-I1613 PolarHBondContact O-N 2.89Å; T1610-W1614 PolarHBondContact O-N 2.81Å; T1610-M1657 HydrophobicContact CG2-CE 3.6Å; T1610-M1657 HydrophobicContact CG2-SD 4.21Å
1611	Q	65.1	Low	66	Low	15 Å²	15	57.2 Å²	57.2	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-46	178.9	-171.8	-172.4	-8.4	0	0	111.6	W1580 I1587 I1607 K1609 I1613 W1614 H1615 L1650	W1580-Q1611 PolarHBondContact O-NE2 2.94Å; I1587-Q1611 HydrophobicContact CD1-CG 4.44Å; I1607-Q1611 WeakPolarHBondContact O-CB 3.41Å; I1607-Q1611 PolarHBondContact O-N 3.01Å; K1609-Q1611 PolarHBondContact O-N 2.83Å; Q1611-I1613 PolarHBondContact O-N 3.37Å; Q1611-W1614 PolarHBondContact O-N 2.99Å; Q1611-H1615 WeakPolarHBondContact CG-NE2 3.36Å; Q1611-H1615 PolarHBondContact NE2-NE2 3.45Å; Q1611-H1615 VanDerWaalsContact NE2-NE2 3.12Å; Q1611-H1615 PolarHBondContact O-CD2 3.14Å; Q1611-H1615 PolarHBondContact O-N 3.29Å; Q1611-L1650 HydrophobicContact CG-CD2 4.19Å
1612	R	64.8	Low	68.1	Low	169 Å²	169	53.4 Å²	53.4	64%	0.638	25%	0.248	S	C	*	.	H	α-helix	trans	-60.3	-44.5	176.5	-72.9	-179.3	-176.7	-172.7	4.1	112.4	I1608 K1609 W1614 H1615 S1616	I1608-R1612 WeakPolarHBondContact O-CG 3.5Å; I1608-R1612 PolarHBondContact O-N 2.77Å; K1609-R1612 PolarHBondContact O-N 3.34Å; R1612-W1614 VanDerWaalsContact C-N 3.32Å; R1612-W1614 PolarHBondContact O-N 2.92Å; R1612-H1615 PolarHBondContact O-N 3.32Å; R1612-S1616 PolarHBondContact O-N 3.33Å
1613	I	67.4	Low	70.1	Confident	80 Å²	80	43.4 Å²	43.4	41%	0.41	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-40.6	177.5	-67.4	164.2	0	0	0	110.5	K1609 T1610 Q1611 R1617	K1609-I1613 VanDerWaalsContact O-CG1 3.29Å; K1609-I1613 WeakPolarHBondContact O-CG1 3.31Å; K1609-I1613 PolarHBondContact O-N 2.67Å; T1610-I1613 PolarHBondContact O-N 2.89Å; Q1611-I1613 PolarHBondContact O-N 3.37Å; I1613-R1617 HydrophobicContact CG2-CG 4.43Å; I1613-R1617 WeakPolarHBondContact O-CB 3.42Å; I1613-R1617 VanDerWaalsContact O-CG 3.26Å; I1613-R1617 WeakPolarHBondContact O-CG 3.39Å; I1613-R1617 PolarHBondContact O-N 2.82Å
1614	W	72.9	Confident	71.6	Confident	16 Å²	16	42 Å²	42	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-45.5	176	-177.5	86.4	0	0	0	112.4	T1610 Q1611 R1612 R1617 H1618 F1648 L1650 F1687 R1691	T1610-W1614 PolarHBondContact O-N 2.81Å; Q1611-W1614 PolarHBondContact O-N 2.99Å; R1612-W1614 VanDerWaalsContact C-N 3.32Å; R1612-W1614 PolarHBondContact O-N 2.92Å; W1614-R1617 PolarHBondContact O-N 3.29Å; W1614-H1618 AromaticContact CZ2-CD2 3.62Å; W1614-H1618 VanDerWaalsContact O-CB 3.26Å; W1614-H1618 WeakPolarHBondContact O-CB 3.45Å; W1614-H1618 PolarHBondContact O-N 3.32Å; W1614-F1648 PolarHBondContact NE1-O 3.05Å; W1614-L1650 HydrophobicContact CB-CD1 3.68Å; W1614-L1650 HydrophobicContact CD2-CB 4.32Å; W1614-L1650 HydrophobicContact CD2-CD1 3.53Å; W1614-L1650 HydrophobicContact CE3-CB 4.36Å; W1614-L1650 HydrophobicContact CE3-CD1 3.81Å; W1614-L1650 HydrophobicContact CG-CD1 3.45Å; W1614-L1650 VanDerWaalsContact CG-CD1 3.45Å; W1614-L1650 HydrophobicContact CH2-CB 4.34Å; W1614-L1650 HydrophobicContact CZ2-CB 4.32Å; W1614-L1650 HydrophobicContact CZ3-CB 4.35Å; W1614-F1687 HydrophobicContact CH2-CZ 4.14Å; W1614-R1691 VanDerWaalsContact CZ3-NH1 3.32Å
1615	H	73.7	Confident	73.2	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.028	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-56.2	176.7	-69.3	-69.1	0	0	0	111.2	W1580 E1583 Q1611 R1612 R1617 H1618 D1619 R1691	W1580-H1615 AromaticContact CD1-CE1 3.35Å; W1580-H1615 AromaticContact CD1-CG 3.93Å; W1580-H1615 AromaticContact CD1-ND1 3.46Å; W1580-H1615 AromaticContact CD1-NE2 3.75Å; W1580-H1615 HydrophobicContact CZ2-CB 4.36Å; W1580-H1615 AromaticContact NE1-CE1 3.8Å; W1580-H1615 AromaticContact NE1-CG 3.74Å; W1580-H1615 AromaticContact NE1-ND1 3.39Å; W1580-H1615 PolarHBondContact NE1-ND1 2.8Å; E1583-H1615 IonicContact OE2-CE1 3.33Å; E1583-H1615 PolarHBondContact OE2-CE1 3.34Å; E1583-H1615 VanDerWaalsContact OE2-CE1 3.27Å; E1583-H1615 IonicContact OE2-NE2 3.54Å; Q1611-H1615 WeakPolarHBondContact CG-NE2 3.36Å; Q1611-H1615 PolarHBondContact NE2-NE2 3.45Å; Q1611-H1615 VanDerWaalsContact NE2-NE2 3.12Å; Q1611-H1615 PolarHBondContact O-CD2 3.14Å; Q1611-H1615 PolarHBondContact O-N 3.29Å; R1612-H1615 PolarHBondContact O-N 3.32Å; H1615-R1617 VanDerWaalsContact C-N 3.27Å; H1615-R1617 PolarHBondContact O-N 2.97Å; H1615-H1618 PolarHBondContact O-N 2.96Å; H1615-D1619 PolarHBondContact O-N 3.34Å; H1615-R1691 PolarHBondContact ND1-NH2 3.25Å; H1615-R1691 PolarHBondContact O-NH2 3.12Å
1616	S	73.9	Confident	74.6	Confident	38 Å²	38	34.6 Å²	34.6	27%	0.266	17%	0.165	S	C	.	.	H	α-helix	trans	-54.7	-39.7	178.7	-77.9	0	0	0	0	113.1	F1564 F1566 R1612 Y1620	F1564-S1616 WeakPolarHBondContact CE1-O 3.49Å; F1566-S1616 WeakPolarHBondContact CD1-O 3.44Å; F1566-S1616 WeakPolarHBondContact O-CB 3.22Å; F1566-S1616 PolarHBondContact O-OG 3.42Å; R1612-S1616 PolarHBondContact O-N 3.33Å; S1616-Y1620 PolarHBondContact O-N 3.14Å
1617	R	76.3	Confident	75.8	Confident	34 Å²	34	32.7 Å²	32.7	13%	0.128	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-48.8	175.7	-74.1	178.3	-178.6	-157.7	-0.6	111.4	S1561 F1564 I1613 W1614 H1615 D1619 W1621 I1645	S1561-R1617 PolarHBondContact O-NH2 3.04Å; S1561-R1617 VanDerWaalsContact O-NH2 3.08Å; S1561-R1617 PolarHBondContact OG-NH2 2.99Å; F1564-R1617 HydrophobicContact CD1-CG 3.52Å; F1564-R1617 HydrophobicContact CD2-CG 3.92Å; F1564-R1617 HydrophobicContact CE1-CB 4.19Å; F1564-R1617 HydrophobicContact CE1-CG 3.57Å; F1564-R1617 HydrophobicContact CE2-CG 3.95Å; F1564-R1617 HydrophobicContact CG-CG 3.72Å; F1564-R1617 HydrophobicContact CZ-CB 4.22Å; F1564-R1617 HydrophobicContact CZ-CG 3.8Å; I1613-R1617 HydrophobicContact CG2-CG 4.43Å; I1613-R1617 WeakPolarHBondContact O-CB 3.42Å; I1613-R1617 VanDerWaalsContact O-CG 3.26Å; I1613-R1617 WeakPolarHBondContact O-CG 3.39Å; I1613-R1617 PolarHBondContact O-N 2.82Å; W1614-R1617 PolarHBondContact O-N 3.29Å; H1615-R1617 VanDerWaalsContact C-N 3.27Å; H1615-R1617 PolarHBondContact O-N 2.97Å; R1617-D1619 PolarHBondContact O-N 3.42Å; R1617-W1621 PolarHBondContact O-N 3.35Å; R1617-W1621 VanDerWaalsContact O-N 3.09Å; R1617-I1645 HydrophobicContact CB-CD1 3.74Å
1618	H	81.8	Confident	76.7	Confident	1 Å²	1	34 Å²	34	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-42.5	-178.5	-171.4	-65.4	0	0	0	112.4	W1614 H1615 W1621 L1622 L1646 F1687 R1691	W1614-H1618 AromaticContact CZ2-CD2 3.62Å; W1614-H1618 VanDerWaalsContact O-CB 3.26Å; W1614-H1618 WeakPolarHBondContact O-CB 3.45Å; W1614-H1618 PolarHBondContact O-N 3.32Å; H1615-H1618 PolarHBondContact O-N 2.96Å; H1618-W1621 PolarHBondContact O-N 2.89Å; H1618-L1622 WeakPolarHBondContact O-CB 3.4Å; H1618-L1622 PolarHBondContact O-N 3.47Å; H1618-L1646 VanDerWaalsContact CE1-CD2 3.46Å; H1618-L1646 WeakPolarHBondContact CE1-CD2 3.42Å; H1618-F1687 AromaticContact CE1-CE1 3.79Å; H1618-F1687 AromaticContact NE2-CE1 3.46Å; H1618-F1687 WeakPolarHBondContact NE2-CE1 3.2Å; H1618-R1691 PolarHBondContact ND1-NH1 3.11Å
1619	D	84.4	Confident	77.7	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-69.1	-43	-177.8	-65.6	-44	0	0	0	112.2	F1566 H1615 R1617 W1621 L1622 L1623 R1691 L1695	F1566-D1619 HydrophobicContact CD1-CB 4.26Å; F1566-D1619 HydrophobicContact CE1-CB 3.7Å; H1615-D1619 PolarHBondContact O-N 3.34Å; R1617-D1619 PolarHBondContact O-N 3.42Å; D1619-W1621 PolarHBondContact O-N 3.38Å; D1619-L1622 PolarHBondContact O-N 3.19Å; D1619-L1623 WeakPolarHBondContact O-CG 3.26Å; D1619-L1623 PolarHBondContact O-N 3.43Å; D1619-L1623 VanDerWaalsContact O-N 3.12Å; D1619-R1691 IonicContact OD1-CZ 2.64Å; D1619-R1691 IonicContact OD1-NE 2.7Å; D1619-R1691 PolarHBondContact OD1-NE 3.04Å; D1619-R1691 IonicContact OD1-NH2 3.87Å; D1619-R1691 PolarHBondContact OD1-NH2 3.36Å; D1619-R1691 IonicContact OD2-CZ 3.6Å; D1619-R1691 IonicContact OD2-NE 3.51Å; D1619-R1691 IonicContact OD2-NH2 3.78Å; D1619-R1691 PolarHBondContact OD2-NH2 3.45Å; D1619-L1695 HydrophobicContact CB-CD1 4.39Å; D1619-L1695 HydrophobicContact CB-CD2 4.02Å
1620	Y	87.4	Confident	78.4	Confident	7 Å²	7	27.8 Å²	27.8	3%	0.027	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-47.7	172.6	176.4	-105.5	0	0	0	112.3	V1543 N1550 F1564 F1566 S1616 L1622 L1623 A1624	V1543-Y1620 HydrophobicContact CG1-CE2 4.41Å; N1550-Y1620 HydrophobicContact CB-CD1 4.15Å; N1550-Y1620 HydrophobicContact CB-CE1 3.52Å; N1550-Y1620 HydrophobicContact CB-CE2 4.16Å; N1550-Y1620 PolarHBondContact O-OH 2.99Å; F1564-Y1620 AromaticContact CE2-CD1 3.91Å; F1564-Y1620 HydrophobicContact CE2-CD1 3.91Å; F1564-Y1620 HydrophobicContact CE2-CE1 4.45Å; F1564-Y1620 HydrophobicContact CE2-CG 4.43Å; F1564-Y1620 AromaticContact CZ-CD1 3.82Å; F1564-Y1620 HydrophobicContact CZ-CD1 3.82Å; F1564-Y1620 AromaticContact CZ-CG 3.91Å; F1564-Y1620 HydrophobicContact CZ-CG 3.91Å; F1566-Y1620 AromaticContact CD2-CD2 3.65Å; F1566-Y1620 HydrophobicContact CD2-CD2 3.65Å; F1566-Y1620 HydrophobicContact CD2-CG 4.23Å; F1566-Y1620 HydrophobicContact CE2-CD2 4.14Å; F1566-Y1620 HydrophobicContact CG-CD2 4.25Å; F1566-Y1620 HydrophobicContact CG-CG 4.4Å; S1616-Y1620 PolarHBondContact O-N 3.14Å; Y1620-L1622 VanDerWaalsContact C-N 3.32Å; Y1620-L1622 PolarHBondContact O-N 3.09Å; Y1620-L1623 PolarHBondContact O-N 2.9Å; Y1620-A1624 WeakPolarHBondContact O-CB 3.17Å; Y1620-A1624 PolarHBondContact O-N 2.91Å
1621	W	87.3	Confident	79.3	Confident	14 Å²	14	27.7 Å²	27.7	5%	0.053	13%	0.132	C	C	.	.	H	α-helix	trans	-70.9	-27.3	-176.4	-73.2	119.8	0	0	0	113.4	G1551 T1553 S1554 R1617 H1618 D1619 A1624 G1625 F1643 I1645	G1551-W1621 WeakPolarHBondContact O-CH2 3.39Å; G1551-W1621 WeakPolarHBondContact O-CZ2 3.27Å; T1553-W1621 VanDerWaalsContact C-CZ2 3.42Å; S1554-W1621 VanDerWaalsContact CA-CE2 3.42Å; S1554-W1621 VanDerWaalsContact CB-CD1 3.48Å; R1617-W1621 PolarHBondContact O-N 3.35Å; R1617-W1621 VanDerWaalsContact O-N 3.09Å; H1618-W1621 PolarHBondContact O-N 2.89Å; D1619-W1621 PolarHBondContact O-N 3.38Å; W1621-A1624 HydrophobicContact CE3-CB 4.08Å; W1621-A1624 HydrophobicContact CZ3-CB 4.43Å; W1621-G1625 PolarHBondContact O-N 2.91Å; W1621-F1643 AromaticContact CE3-CD1 3.62Å; W1621-F1643 HydrophobicContact CE3-CD1 3.62Å; W1621-F1643 AromaticContact CE3-CE1 3.74Å; W1621-F1643 HydrophobicContact CE3-CE1 3.74Å; W1621-F1643 HydrophobicContact CZ3-CD1 4.23Å; W1621-F1643 AromaticContact CZ3-CE1 4Å; W1621-F1643 HydrophobicContact CZ3-CE1 4Å; W1621-I1645 HydrophobicContact CB-CG2 3.81Å; W1621-I1645 HydrophobicContact CG-CG2 4Å
1622	L	87.2	Confident	79.7	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-49.6	168.5	174.9	51.5	0	0	0	111.3	H1618 D1619 Y1620 A1624 G1625 I1626 W1634 L1646 L1688 R1691 L1695	H1618-L1622 WeakPolarHBondContact O-CB 3.4Å; H1618-L1622 PolarHBondContact O-N 3.47Å; D1619-L1622 PolarHBondContact O-N 3.19Å; Y1620-L1622 VanDerWaalsContact C-N 3.32Å; Y1620-L1622 PolarHBondContact O-N 3.09Å; L1622-A1624 PolarHBondContact O-N 2.89Å; L1622-G1625 PolarHBondContact O-N 2.79Å; L1622-I1626 HydrophobicContact CD1-CD1 3.9Å; L1622-I1626 HydrophobicContact CD1-CG1 4.45Å; L1622-I1626 HydrophobicContact CG-CD1 4.28Å; L1622-I1626 WeakPolarHBondContact O-CD1 3.39Å; L1622-I1626 WeakPolarHBondContact O-CG1 3.43Å; L1622-I1626 PolarHBondContact O-N 2.91Å; L1622-I1626 VanDerWaalsContact O-N 3.11Å; L1622-W1634 HydrophobicContact CD1-CH2 4.32Å; L1622-W1634 HydrophobicContact CD1-CZ3 3.73Å; L1622-L1646 HydrophobicContact CB-CD2 4.13Å; L1622-L1688 HydrophobicContact CD1-CB 4.4Å; L1622-L1688 HydrophobicContact CD1-CD2 4.29Å; L1622-L1688 HydrophobicContact CD2-CD2 4.49Å; L1622-R1691 HydrophobicContact CD2-CB 4.24Å; L1622-R1691 HydrophobicContact CD2-CG 4.17Å; L1622-L1695 HydrophobicContact CD2-CD1 3.71Å; L1622-L1695 HydrophobicContact CG-CD1 4.23Å
1623	L	88.1	Confident	80.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-40.8	177.5	-65.6	-172.1	0	0	0	112.7	I1539 K1542 V1543 F1566 D1619 Y1620 I1626 L1627 L1692 L1695	I1539-L1623 HydrophobicContact CD1-CD2 3.95Å; I1539-L1623 HydrophobicContact CG1-CD2 3.98Å; I1539-L1623 HydrophobicContact CG2-CB 4.2Å; I1539-L1623 HydrophobicContact CG2-CD2 4.2Å; K1542-L1623 HydrophobicContact CG-CD1 4.4Å; V1543-L1623 HydrophobicContact CG2-CB 3.74Å; F1566-L1623 HydrophobicContact CE2-CD1 4.31Å; F1566-L1623 HydrophobicContact CZ-CD1 3.84Å; D1619-L1623 WeakPolarHBondContact O-CG 3.26Å; D1619-L1623 PolarHBondContact O-N 3.43Å; D1619-L1623 VanDerWaalsContact O-N 3.12Å; Y1620-L1623 PolarHBondContact O-N 2.9Å; L1623-I1626 PolarHBondContact O-N 2.65Å; L1623-L1627 PolarHBondContact O-N 3.02Å; L1623-L1692 HydrophobicContact CD2-CD1 4.45Å; L1623-L1695 HydrophobicContact CD2-CB 4.42Å; L1623-L1695 HydrophobicContact CD2-CD1 4.19Å; L1623-L1695 HydrophobicContact CG-CD1 4.46Å
1624	A	85.5	Confident	80.9	Confident	10 Å²	10	24.8 Å²	24.8	8%	0.083	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-39.2	175.3	0	0	0	0	0	112.3	V1543 Y1620 W1621 L1622 I1626 L1627 V1628 F1643	V1543-A1624 HydrophobicContact CG1-CB 4.49Å; Y1620-A1624 WeakPolarHBondContact O-CB 3.17Å; Y1620-A1624 PolarHBondContact O-N 2.91Å; W1621-A1624 HydrophobicContact CE3-CB 4.08Å; W1621-A1624 HydrophobicContact CZ3-CB 4.43Å; L1622-A1624 PolarHBondContact O-N 2.89Å; A1624-I1626 VanDerWaalsContact C-N 3.35Å; A1624-I1626 PolarHBondContact O-N 3.41Å; A1624-L1627 PolarHBondContact O-N 2.68Å; A1624-V1628 WeakPolarHBondContact O-CG2 3.45Å; A1624-V1628 PolarHBondContact O-N 2.68Å; A1624-V1628 VanDerWaalsContact O-N 3.14Å; A1624-F1643 HydrophobicContact CB-CE1 4.02Å
1625	G	84.4	Confident	81	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-42.3	174.5	0	0	0	0	0	112.9	W1621 L1622 V1628 H1629	W1621-G1625 PolarHBondContact O-N 2.91Å; L1622-G1625 PolarHBondContact O-N 2.79Å; G1625-V1628 PolarHBondContact O-N 2.92Å; G1625-H1629 PolarHBondContact O-N 2.84Å
1626	I	85.7	Confident	81.3	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-39	176.4	-66.6	160.7	0	0	0	111.4	M1536 I1539 L1622 L1623 A1624 V1628 G1630 Y1631 I1637 L1692	M1536-I1626 HydrophobicContact CE-CG2 4.28Å; M1536-I1626 HydrophobicContact SD-CG2 4.44Å; I1539-I1626 HydrophobicContact CD1-CG2 4.49Å; L1622-I1626 HydrophobicContact CD1-CD1 3.9Å; L1622-I1626 HydrophobicContact CD1-CG1 4.45Å; L1622-I1626 HydrophobicContact CG-CD1 4.28Å; L1622-I1626 WeakPolarHBondContact O-CD1 3.39Å; L1622-I1626 WeakPolarHBondContact O-CG1 3.43Å; L1622-I1626 PolarHBondContact O-N 2.91Å; L1622-I1626 VanDerWaalsContact O-N 3.11Å; L1623-I1626 PolarHBondContact O-N 2.65Å; A1624-I1626 VanDerWaalsContact C-N 3.35Å; A1624-I1626 PolarHBondContact O-N 3.41Å; I1626-V1628 VanDerWaalsContact C-N 3.3Å; I1626-V1628 PolarHBondContact O-N 2.84Å; I1626-G1630 CarbonylContact O-C 3.55Å; I1626-G1630 WeakPolarHBondContact O-CA 3.46Å; I1626-G1630 PolarHBondContact O-N 3.29Å; I1626-Y1631 HydrophobicContact CG2-CD2 4.45Å; I1626-I1637 HydrophobicContact CG1-CD1 4.21Å; I1626-L1692 HydrophobicContact CD1-CD1 3.48Å; I1626-L1692 VanDerWaalsContact CD1-CD1 3.48Å; I1626-L1692 HydrophobicContact CD1-CD2 3.71Å; I1626-L1692 HydrophobicContact CD1-CG 4.16Å
1627	L	82	Confident	81.6	Confident	58 Å²	58	27.6 Å²	27.6	30%	0.304	15%	0.147	S	C	.	.	H	α-helix	trans	-64	-34.4	177.3	-174.3	64.1	0	0	0	112.5	R1540 V1543 L1623 A1624	R1540-L1627 HydrophobicContact CB-CD1 4.06Å; R1540-L1627 HydrophobicContact CG-CD1 4.06Å; V1543-L1627 HydrophobicContact CB-CD2 4.04Å; V1543-L1627 HydrophobicContact CG1-CD2 3.83Å; V1543-L1627 HydrophobicContact CG2-CD2 4.48Å; L1623-L1627 PolarHBondContact O-N 3.02Å; A1624-L1627 PolarHBondContact O-N 2.68Å
1628	V	79.5	Confident	81.8	Confident	64 Å²	64	27 Å²	27	39%	0.388	15%	0.146	S	C	.	.	H	α-helix	trans	-84	-52.2	-178.9	172.8	0	0	0	0	112.7	A1624 G1625 I1626 F1643	A1624-V1628 WeakPolarHBondContact O-CG2 3.45Å; A1624-V1628 PolarHBondContact O-N 2.68Å; A1624-V1628 VanDerWaalsContact O-N 3.14Å; G1625-V1628 PolarHBondContact O-N 2.92Å; I1626-V1628 VanDerWaalsContact C-N 3.3Å; I1626-V1628 PolarHBondContact O-N 2.84Å; V1628-F1643 HydrophobicContact CB-CE2 4.47Å; V1628-F1643 HydrophobicContact CB-CZ 4.23Å; V1628-F1643 HydrophobicContact CG2-CZ 4.12Å
1629	H	80.2	Confident	81.6	Confident	31 Å²	31	30.8 Å²	30.8	14%	0.144	18%	0.178	C	C	.	.	H	α-helix	trans	-90.9	-10.9	-173.8	-69.2	-71	0	0	0	113.5	R1463 G1625 R1633 D1636 I1637 D1640 F1643	R1463-H1629 PolarHBondContact NE-O 3.16Å; R1463-H1629 VanDerWaalsContact NE-O 3.15Å; R1463-H1629 PolarHBondContact NH2-O 3.08Å; G1625-H1629 PolarHBondContact O-N 2.84Å; H1629-R1633 HydrophobicContact CB-CB 3.95Å; H1629-R1633 WeakPolarHBondContact O-CG 3.47Å; H1629-D1636 HydrophobicContact CB-CB 4.3Å; H1629-I1637 HydrophobicContact CB-CD1 4.42Å; H1629-I1637 HydrophobicContact CB-CG1 3.77Å; H1629-D1640 IonicContact CD2-OD2 2.94Å; H1629-D1640 IonicContact CE1-OD2 3.19Å; H1629-D1640 IonicContact NE2-OD2 2.69Å; H1629-D1640 PolarHBondContact NE2-OD2 3.23Å; H1629-F1643 AromaticContact CD2-CE2 3.76Å; H1629-F1643 AromaticContact NE2-CE2 3.81Å
1630	G	77.5	Confident	81.3	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.01	18%	0.182	C	C	.	.			trans	81.3	167.8	-173.8	0	0	0	0	0	112.8	R1463 I1626	R1463-G1630 WeakPolarHBondContact O-CA 3.38Å; I1626-G1630 CarbonylContact O-C 3.55Å; I1626-G1630 WeakPolarHBondContact O-CA 3.46Å; I1626-G1630 PolarHBondContact O-N 3.29Å
1631	Y	81.1	Confident	80.7	Confident	30 Å²	30	36 Å²	36	12%	0.118	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	145.6	-177.1	-155.7	-90.3	0	0	0	112.9	R1463 R1532 M1536 I1626 R1633 L1692 E1696 I1811	R1463-Y1631 PolarHBondContact O-N 2.88Å; R1532-Y1631 PolarHBondContact NH2-OH 2.93Å; M1536-Y1631 HydrophobicContact CE-CD2 3.58Å; M1536-Y1631 HydrophobicContact CE-CE2 4.05Å; M1536-Y1631 HydrophobicContact SD-CD2 4.38Å; I1626-Y1631 HydrophobicContact CG2-CD2 4.45Å; Y1631-R1633 PolarHBondContact O-N 3.2Å; Y1631-L1692 HydrophobicContact CD2-CD2 4.48Å; Y1631-L1692 HydrophobicContact CE2-CD2 3.7Å; Y1631-E1696 WeakPolarHBondContact CE2-OE1 3.36Å; Y1631-E1696 PolarHBondContact OH-OE1 3.16Å; Y1631-I1811 HydrophobicContact CD1-CD1 4.44Å
1632	S	72.6	Confident	80.2	Confident	65 Å²	65	40.3 Å²	40.3	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	6.1	176.5	56.7	0	0	0	0	117.4	W1634	S1632-W1634 PolarHBondContact O-N 2.85Å
1633	R	77.2	Confident	79.8	Confident	111 Å²	111	40.5 Å²	40.5	42%	0.419	23%	0.229	S	C	.	.			trans	-81.3	50.4	177.3	-80.1	-112.6	175.9	171.6	-2.4	113.3	H1629 Y1631 A1635 D1636 I1637	H1629-R1633 HydrophobicContact CB-CB 3.95Å; H1629-R1633 WeakPolarHBondContact O-CG 3.47Å; Y1631-R1633 PolarHBondContact O-N 3.2Å; R1633-A1635 VanDerWaalsContact C-N 3.33Å; R1633-A1635 PolarHBondContact O-N 3.36Å; R1633-D1636 WeakPolarHBondContact CD-OD2 3.31Å; R1633-D1636 IonicContact CZ-OD2 3.27Å; R1633-D1636 IonicContact NE-OD2 2.67Å; R1633-D1636 IonicContact NH1-OD2 2.66Å; R1633-D1636 PolarHBondContact NH1-OD2 2.91Å; R1633-D1636 PolarHBondContact O-N 3.5Å; R1633-I1637 WeakPolarHBondContact O-CG1 3.21Å; R1633-I1637 PolarHBondContact O-N 3.25Å; R1633-I1637 VanDerWaalsContact O-N 3.1Å
1634	W	79.9	Confident	79.1	Confident	27 Å²	27	47.2 Å²	47.2	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-38.1	-171.8	-55.5	123	0	0	0	114.8	L1622 S1632 I1637 L1638 Q1685 L1688 L1689 L1692	L1622-W1634 HydrophobicContact CD1-CH2 4.32Å; L1622-W1634 HydrophobicContact CD1-CZ3 3.73Å; S1632-W1634 PolarHBondContact O-N 2.85Å; W1634-I1637 HydrophobicContact CE3-CD1 4.2Å; W1634-I1637 PolarHBondContact O-N 2.88Å; W1634-L1638 WeakPolarHBondContact O-CB 3.42Å; W1634-L1638 WeakPolarHBondContact O-CG 3.31Å; W1634-L1638 PolarHBondContact O-N 2.72Å; W1634-Q1685 HydrophobicContact CB-CG 3.8Å; W1634-Q1685 HydrophobicContact CG-CG 4.39Å; W1634-L1688 HydrophobicContact CD2-CB 4.49Å; W1634-L1688 HydrophobicContact CE3-CB 3.85Å; W1634-L1688 HydrophobicContact CE3-CD1 3.92Å; W1634-L1688 HydrophobicContact CH2-CB 4.11Å; W1634-L1688 HydrophobicContact CZ3-CB 3.65Å; W1634-L1688 HydrophobicContact CZ3-CD1 4.23Å; W1634-L1689 HydrophobicContact CZ2-CB 3.96Å; W1634-L1689 HydrophobicContact CZ2-CD1 3.9Å; W1634-L1692 HydrophobicContact CH2-CB 4.13Å; W1634-L1692 HydrophobicContact CH2-CD2 3.74Å; W1634-L1692 HydrophobicContact CZ2-CD2 4.18Å
1635	A	75.8	Confident	78.5	Confident	61 Å²	61	47.7 Å²	47.7	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-63	-44.6	178.9	0	0	0	0	0	111.9	R1633 L1638 A1639	R1633-A1635 VanDerWaalsContact C-N 3.33Å; R1633-A1635 PolarHBondContact O-N 3.36Å; A1635-L1638 PolarHBondContact O-N 2.93Å; A1635-A1639 VanDerWaalsContact O-CB 3.23Å; A1635-A1639 WeakPolarHBondContact O-CB 3.48Å; A1635-A1639 PolarHBondContact O-N 3.2Å
1636	D	78.6	Confident	78.2	Confident	59 Å²	59	48 Å²	48	32%	0.316	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-39.6	178.8	-58.2	-6.1	0	0	0	110.9	H1629 R1633 A1639 D1640	H1629-D1636 HydrophobicContact CB-CB 4.3Å; R1633-D1636 WeakPolarHBondContact CD-OD2 3.31Å; R1633-D1636 IonicContact CZ-OD2 3.27Å; R1633-D1636 IonicContact NE-OD2 2.67Å; R1633-D1636 IonicContact NH1-OD2 2.66Å; R1633-D1636 PolarHBondContact NH1-OD2 2.91Å; R1633-D1636 PolarHBondContact O-N 3.5Å; D1636-A1639 PolarHBondContact O-N 3.15Å; D1636-D1640 WeakPolarHBondContact O-CB 3.31Å; D1636-D1640 PolarHBondContact O-N 3.37Å
1637	I	81.6	Confident	77.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-45	176.1	-66.4	168.3	0	0	0	111.5	I1626 H1629 R1633 W1634 F1643 L1646	I1626-I1637 HydrophobicContact CG1-CD1 4.21Å; H1629-I1637 HydrophobicContact CB-CD1 4.42Å; H1629-I1637 HydrophobicContact CB-CG1 3.77Å; R1633-I1637 WeakPolarHBondContact O-CG1 3.21Å; R1633-I1637 PolarHBondContact O-N 3.25Å; R1633-I1637 VanDerWaalsContact O-N 3.1Å; W1634-I1637 HydrophobicContact CE3-CD1 4.2Å; W1634-I1637 PolarHBondContact O-N 2.88Å; I1637-F1643 HydrophobicContact CG2-CB 4.41Å; I1637-F1643 HydrophobicContact CG2-CD2 4.32Å; I1637-L1646 HydrophobicContact CG2-CD1 3.59Å
1638	L	80.3	Confident	76.6	Confident	20 Å²	20	52 Å²	52	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-73	-29.8	-179.7	-73.2	166.3	0	0	0	112.8	W1634 A1635 L1646 N1647 A1684 Q1685 L1688	W1634-L1638 WeakPolarHBondContact O-CB 3.42Å; W1634-L1638 WeakPolarHBondContact O-CG 3.31Å; W1634-L1638 PolarHBondContact O-N 2.72Å; A1635-L1638 PolarHBondContact O-N 2.93Å; L1638-L1646 HydrophobicContact CD2-CB 4.13Å; L1638-N1647 PolarHBondContact O-ND2 3.4Å; L1638-A1684 HydrophobicContact CD1-CB 4.3Å; L1638-Q1685 HydrophobicContact CD1-CG 3.99Å; L1638-L1688 HydrophobicContact CD1-CD1 4.41Å; L1638-L1688 HydrophobicContact CD2-CD1 3.92Å; L1638-L1688 HydrophobicContact CG-CD1 4.11Å
1639	A	77.7	Confident	75.8	Confident	81 Å²	81	49.7 Å²	49.7	67%	0.669	26%	0.263	S	S	*	.	H	α-helix	trans	-79.6	-25.3	177.3	0	0	0	0	0	113.7	A1635 D1636	A1635-A1639 VanDerWaalsContact O-CB 3.23Å; A1635-A1639 WeakPolarHBondContact O-CB 3.48Å; A1635-A1639 PolarHBondContact O-N 3.2Å; D1636-A1639 PolarHBondContact O-N 3.15Å
1640	D	78.1	Confident	74.7	Confident	19 Å²	19	49 Å²	49	10%	0.102	26%	0.26	C	S	.	.	S	Bend	trans	-70.3	120.4	-179.5	-173	-30.5	0	0	0	111.4	H1629 D1636 R1642 F1643	H1629-D1640 IonicContact CD2-OD2 2.94Å; H1629-D1640 IonicContact CE1-OD2 3.19Å; H1629-D1640 IonicContact NE2-OD2 2.69Å; H1629-D1640 PolarHBondContact NE2-OD2 3.23Å; D1636-D1640 WeakPolarHBondContact O-CB 3.31Å; D1636-D1640 PolarHBondContact O-N 3.37Å; D1640-R1642 PolarHBondContact O-N 3.09Å; D1640-R1642 VanDerWaalsContact OD1-CB 3.23Å; D1640-R1642 WeakPolarHBondContact OD1-CB 3.22Å; D1640-R1642 WeakPolarHBondContact OD1-CG 3.43Å; D1640-R1642 IonicContact OD1-CZ 2.82Å; D1640-R1642 PolarHBondContact OD1-N 2.84Å; D1640-R1642 IonicContact OD1-NE 2.67Å; D1640-R1642 PolarHBondContact OD1-NE 2.97Å; D1640-R1642 VanDerWaalsContact OD1-NE 3.08Å; D1640-R1642 IonicContact OD2-CZ 3.62Å; D1640-R1642 VanDerWaalsContact OD2-CZ 3.26Å; D1640-R1642 IonicContact OD2-NE 3.99Å; D1640-R1642 PolarHBondContact OD2-NE 2.99Å; D1640-R1642 IonicContact OD2-NH2 3.16Å; D1640-R1642 PolarHBondContact OD2-NH2 2.95Å; D1640-F1643 HydrophobicContact CB-CD2 3.78Å; D1640-F1643 HydrophobicContact CB-CE2 4.16Å; D1640-F1643 PolarHBondContact O-N 3.12Å; D1640-F1643 WeakPolarHBondContact OD2-CE2 3.43Å
1641	P	75.5	Confident	73.6	Confident	101 Å²	101	51.1 Å²	51.1	66%	0.656	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-63	-16.8	-177.3	26.4	-35.2	0	0	0	113.7	F1643	P1641-F1643 VanDerWaalsContact C-N 3.33Å
1642	R	74.9	Confident	72.3	Confident	105 Å²	105	51 Å²	51	40%	0.396	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64	-37.2	173.4	-66.9	176.9	-73.9	-173	-4.8	112	S1554 D1640	S1554-R1642 WeakPolarHBondContact CB-O 3.36Å; S1554-R1642 PolarHBondContact N-O 2.99Å; S1554-R1642 PolarHBondContact OG-O 3.14Å; D1640-R1642 PolarHBondContact O-N 3.09Å; D1640-R1642 VanDerWaalsContact OD1-CB 3.23Å; D1640-R1642 WeakPolarHBondContact OD1-CB 3.22Å; D1640-R1642 WeakPolarHBondContact OD1-CG 3.43Å; D1640-R1642 IonicContact OD1-CZ 2.82Å; D1640-R1642 PolarHBondContact OD1-N 2.84Å; D1640-R1642 IonicContact OD1-NE 2.67Å; D1640-R1642 PolarHBondContact OD1-NE 2.97Å; D1640-R1642 VanDerWaalsContact OD1-NE 3.08Å; D1640-R1642 IonicContact OD2-CZ 3.62Å; D1640-R1642 VanDerWaalsContact OD2-CZ 3.26Å; D1640-R1642 IonicContact OD2-NE 3.99Å; D1640-R1642 PolarHBondContact OD2-NE 2.99Å; D1640-R1642 IonicContact OD2-NH2 3.16Å; D1640-R1642 PolarHBondContact OD2-NH2 2.95Å
1643	F	80.4	Confident	71.6	Confident	5 Å²	5	50 Å²	50	2%	0.022	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-101.2	16.3	-172.7	-48.9	-57	0	0	0	113.7	W1621 A1624 V1628 H1629 I1637 D1640 P1641 I1645 L1646	W1621-F1643 AromaticContact CE3-CD1 3.62Å; W1621-F1643 HydrophobicContact CE3-CD1 3.62Å; W1621-F1643 AromaticContact CE3-CE1 3.74Å; W1621-F1643 HydrophobicContact CE3-CE1 3.74Å; W1621-F1643 HydrophobicContact CZ3-CD1 4.23Å; W1621-F1643 AromaticContact CZ3-CE1 4Å; W1621-F1643 HydrophobicContact CZ3-CE1 4Å; A1624-F1643 HydrophobicContact CB-CE1 4.02Å; V1628-F1643 HydrophobicContact CB-CE2 4.47Å; V1628-F1643 HydrophobicContact CB-CZ 4.23Å; V1628-F1643 HydrophobicContact CG2-CZ 4.12Å; H1629-F1643 AromaticContact CD2-CE2 3.76Å; H1629-F1643 AromaticContact NE2-CE2 3.81Å; I1637-F1643 HydrophobicContact CG2-CB 4.41Å; I1637-F1643 HydrophobicContact CG2-CD2 4.32Å; D1640-F1643 HydrophobicContact CB-CD2 3.78Å; D1640-F1643 HydrophobicContact CB-CE2 4.16Å; D1640-F1643 PolarHBondContact O-N 3.12Å; D1640-F1643 WeakPolarHBondContact OD2-CE2 3.43Å; P1641-F1643 VanDerWaalsContact C-N 3.33Å; F1643-I1645 PolarHBondContact O-N 3.4Å; F1643-L1646 HydrophobicContact CB-CD1 3.93Å; F1643-L1646 HydrophobicContact CB-CG 4.4Å; F1643-L1646 WeakPolarHBondContact O-CB 3.44Å; F1643-L1646 WeakPolarHBondContact O-CG 3.48Å; F1643-L1646 PolarHBondContact O-N 3.12Å
1644	R	72.2	Confident	70.5	Confident	140 Å²	140	47.2 Å²	47.2	53%	0.528	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-51.4	-26.4	-171.8	-152.2	-177	-162.4	165.3	3.8	115.6	S1554 I1555 L1646 N1647 F1648	S1554-R1644 PolarHBondContact OG-N 2.94Å; S1554-R1644 VanDerWaalsContact OG-N 3.14Å; I1555-R1644 HydrophobicContact CD1-CB 3.97Å; I1555-R1644 HydrophobicContact CD1-CG 4.22Å; I1555-R1644 HydrophobicContact CG1-CB 4.5Å; R1644-L1646 PolarHBondContact O-N 3.26Å; R1644-N1647 WeakPolarHBondContact O-CB 3.46Å; R1644-N1647 PolarHBondContact O-N 3.5Å; R1644-N1647 VanDerWaalsContact O-N 3.08Å; R1644-F1648 HydrophobicContact CG-CE2 4.18Å; R1644-F1648 WeakPolarHBondContact O-CD2 3.46Å
1645	I	74	Confident	69.3	Low	21 Å²	21	50.6 Å²	50.6	11%	0.108	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.4	-31.2	172.8	-165	172.3	0	0	0	113.4	S1554 R1617 W1621 F1643 N1647 F1648	S1554-I1645 PolarHBondContact OG-N 3.2Å; R1617-I1645 HydrophobicContact CB-CD1 3.74Å; W1621-I1645 HydrophobicContact CB-CG2 3.81Å; W1621-I1645 HydrophobicContact CG-CG2 4Å; F1643-I1645 PolarHBondContact O-N 3.4Å; I1645-N1647 PolarHBondContact O-N 3.36Å; I1645-F1648 PolarHBondContact O-N 3.14Å
1646	L	77.4	Confident	68.1	Low	6 Å²	6	51.2 Å²	51.2	3%	0.031	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-68	-14.5	179.5	-57.9	179.8	0	0	0	113.2	H1618 L1622 I1637 L1638 F1643 R1644 L1688	H1618-L1646 VanDerWaalsContact CE1-CD2 3.46Å; H1618-L1646 WeakPolarHBondContact CE1-CD2 3.42Å; L1622-L1646 HydrophobicContact CB-CD2 4.13Å; I1637-L1646 HydrophobicContact CG2-CD1 3.59Å; L1638-L1646 HydrophobicContact CD2-CB 4.13Å; F1643-L1646 HydrophobicContact CB-CD1 3.93Å; F1643-L1646 HydrophobicContact CB-CG 4.4Å; F1643-L1646 WeakPolarHBondContact O-CB 3.44Å; F1643-L1646 WeakPolarHBondContact O-CG 3.48Å; F1643-L1646 PolarHBondContact O-N 3.12Å; R1644-L1646 PolarHBondContact O-N 3.26Å; L1646-L1688 HydrophobicContact CB-CD1 4.47Å; L1646-L1688 HydrophobicContact CB-CD2 4.31Å; L1646-L1688 HydrophobicContact CD1-CD1 4.38Å; L1646-L1688 HydrophobicContact CD2-CD2 4.09Å
1647	N	69.3	Low	66.7	Low	52 Å²	52	50.2 Å²	50.2	28%	0.278	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-84.4	-6	172.7	-68.3	-76.3	0	0	0	113.2	L1638 R1644 I1645	L1638-N1647 PolarHBondContact O-ND2 3.4Å; R1644-N1647 WeakPolarHBondContact O-CB 3.46Å; R1644-N1647 PolarHBondContact O-N 3.5Å; R1644-N1647 VanDerWaalsContact O-N 3.08Å; I1645-N1647 PolarHBondContact O-N 3.36Å
1648	F	64	Low	65	Low	94 Å²	94	54.1 Å²	54.1	41%	0.412	29%	0.289	S	S	.	.			trans	-121.6	101.1	-172.5	-63.3	-71.7	0	0	0	112.4	W1614 R1644 I1645	W1614-F1648 PolarHBondContact NE1-O 3.05Å; R1644-F1648 HydrophobicContact CG-CE2 4.18Å; R1644-F1648 WeakPolarHBondContact O-CD2 3.46Å; I1645-F1648 PolarHBondContact O-N 3.14Å
1649	G	62.9	Low	63.5	Low	14 Å²	14	59.2 Å²	59.2	14%	0.144	31%	0.311	C	S	.	.			trans	-61	152.1	166.9	0	0	0	0	0	111.9	S1651 G1652	G1649-S1651 PolarHBondContact O-N 3.06Å; G1649-G1652 PolarHBondContact O-N 3.08Å
1650	L	58.5	Low	61.9	Low	17 Å²	17	61.5 Å²	61.5	9%	0.089	31%	0.311	C	S	.	.	H	α-helix	trans	-53.5	-31.4	-173.5	-168.2	78.4	0	0	0	113.8	I1587 Q1611 W1614 G1652 V1653 L1654	I1587-L1650 HydrophobicContact CD1-CD2 3.26Å; I1587-L1650 HydrophobicContact CG1-CD2 4.07Å; Q1611-L1650 HydrophobicContact CG-CD2 4.19Å; W1614-L1650 HydrophobicContact CB-CD1 3.68Å; W1614-L1650 HydrophobicContact CD2-CB 4.32Å; W1614-L1650 HydrophobicContact CD2-CD1 3.53Å; W1614-L1650 HydrophobicContact CE3-CB 4.36Å; W1614-L1650 HydrophobicContact CE3-CD1 3.81Å; W1614-L1650 HydrophobicContact CG-CD1 3.45Å; W1614-L1650 VanDerWaalsContact CG-CD1 3.45Å; W1614-L1650 HydrophobicContact CH2-CB 4.34Å; W1614-L1650 HydrophobicContact CZ2-CB 4.32Å; W1614-L1650 HydrophobicContact CZ3-CB 4.35Å; L1650-G1652 VanDerWaalsContact C-N 3.26Å; L1650-G1652 PolarHBondContact O-N 3.2Å; L1650-V1653 PolarHBondContact O-N 3.33Å; L1650-L1654 HydrophobicContact CD2-CD1 4.35Å; L1650-L1654 HydrophobicContact CG-CD1 4.26Å; L1650-L1654 WeakPolarHBondContact O-CG 3.44Å; L1650-L1654 PolarHBondContact O-N 3.29Å
1651	S	53.3	Low	60.1	Low	45 Å²	45	66.8 Å²	66.8	32%	0.315	34%	0.337	S	S	.	.	H	α-helix	trans	-60	-31.1	175.1	-177.8	0	0	0	0	113.7	G1649 K1655	G1649-S1651 PolarHBondContact O-N 3.06Å; S1651-K1655 WeakPolarHBondContact O-CB 3.42Å; S1651-K1655 WeakPolarHBondContact O-CG 3.44Å; S1651-K1655 PolarHBondContact O-N 3.42Å
1652	G	55.1	Low	58.5	Low	29 Å²	29	67.1 Å²	67.1	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-68.4	-46.5	175.7	0	0	0	0	0	111.1	G1649 L1650 L1654 K1655 D1656	G1649-G1652 PolarHBondContact O-N 3.08Å; L1650-G1652 VanDerWaalsContact C-N 3.26Å; L1650-G1652 PolarHBondContact O-N 3.2Å; G1652-L1654 VanDerWaalsContact C-N 3.28Å; G1652-L1654 PolarHBondContact O-N 2.76Å; G1652-K1655 PolarHBondContact O-N 3.32Å; G1652-D1656 PolarHBondContact O-N 2.85Å
1653	V	56.3	Low	56.5	Low	44 Å²	44	67.4 Å²	67.4	27%	0.267	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-41.1	175.3	-174.2	0	0	0	0	111.1	L1650 M1657	L1650-V1653 PolarHBondContact O-N 3.33Å; V1653-M1657 HydrophobicContact CG1-CE 4.48Å; V1653-M1657 WeakPolarHBondContact O-CB 3.23Å; V1653-M1657 WeakPolarHBondContact O-CG 3.45Å; V1653-M1657 PolarHBondContact O-N 2.96Å
1654	L	54.2	Low	54.1	Low	51 Å²	51	74.3 Å²	74.3	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-68.8	-44.5	175.7	-69.2	168.1	0	0	0	112.7	I1587 L1650 G1652 D1656 M1657 H1658	I1587-L1654 HydrophobicContact CG2-CD1 3.95Å; L1650-L1654 HydrophobicContact CD2-CD1 4.35Å; L1650-L1654 HydrophobicContact CG-CD1 4.26Å; L1650-L1654 WeakPolarHBondContact O-CG 3.44Å; L1650-L1654 PolarHBondContact O-N 3.29Å; G1652-L1654 VanDerWaalsContact C-N 3.28Å; G1652-L1654 PolarHBondContact O-N 2.76Å; L1654-D1656 VanDerWaalsContact C-N 3.31Å; L1654-D1656 PolarHBondContact O-N 2.92Å; L1654-M1657 PolarHBondContact O-N 2.77Å; L1654-H1658 WeakPolarHBondContact O-CB 3.27Å; L1654-H1658 PolarHBondContact O-N 3.01Å
1655	K	54.9	Low	52	Low	98 Å²	98	75.2 Å²	75.2	43%	0.426	40%	0.398	S	S	.	.	H	α-helix	trans	-61.5	-37.8	175.7	-78	-171.3	-179.4	-170.3	0	111.3	S1651 G1652 H1658 K1659 G1788	S1651-K1655 WeakPolarHBondContact O-CB 3.42Å; S1651-K1655 WeakPolarHBondContact O-CG 3.44Å; S1651-K1655 PolarHBondContact O-N 3.42Å; G1652-K1655 PolarHBondContact O-N 3.32Å; K1655-H1658 PolarHBondContact O-N 3.37Å; K1655-K1659 WeakPolarHBondContact O-CG 3.46Å; K1655-K1659 PolarHBondContact O-N 3.33Å; K1655-K1659 VanDerWaalsContact O-N 3.11Å; K1655-G1788 PolarHBondContact NZ-O 2.96Å
1656	D	50.3	Low	49.8	Very low	74 Å²	74	80.1 Å²	80.1	40%	0.396	44%	0.435	S	S	.	.	H	α-helix	trans	-79.4	-33.9	179.1	-71.8	-20.9	0	0	0	113.6	G1652 L1654 H1658 K1659 L1660	G1652-D1656 PolarHBondContact O-N 2.85Å; L1654-D1656 VanDerWaalsContact C-N 3.31Å; L1654-D1656 PolarHBondContact O-N 2.92Å; D1656-H1658 VanDerWaalsContact C-N 3.29Å; D1656-H1658 PolarHBondContact O-N 2.92Å; D1656-K1659 PolarHBondContact O-N 2.91Å; D1656-K1659 WeakPolarHBondContact OD1-CE 3.4Å; D1656-K1659 IonicContact OD1-NZ 3.19Å; D1656-K1659 PolarHBondContact OD1-NZ 2.85Å; D1656-L1660 WeakPolarHBondContact O-CG 3.49Å; D1656-L1660 PolarHBondContact O-N 3.44Å
1657	M	49.8	Very low	47.3	Very low	39 Å²	39	84.1 Å²	84.1	19%	0.192	46%	0.463	C	S	.	.	H	α-helix	trans	-59.7	-41.3	165.4	-78.6	-162	-179.8	0	0	111.4	I1559 T1610 V1653 L1654 K1659 L1660 M1661	I1559-M1657 HydrophobicContact CG2-CE 4.12Å; T1610-M1657 HydrophobicContact CG2-CE 3.6Å; T1610-M1657 HydrophobicContact CG2-SD 4.21Å; V1653-M1657 HydrophobicContact CG1-CE 4.48Å; V1653-M1657 WeakPolarHBondContact O-CB 3.23Å; V1653-M1657 WeakPolarHBondContact O-CG 3.45Å; V1653-M1657 PolarHBondContact O-N 2.96Å; L1654-M1657 PolarHBondContact O-N 2.77Å; M1657-K1659 VanDerWaalsContact C-N 3.3Å; M1657-K1659 PolarHBondContact O-N 2.98Å; M1657-L1660 PolarHBondContact O-N 3.11Å; M1657-M1661 WeakPolarHBondContact O-CG 3.44Å; M1657-M1661 PolarHBondContact O-N 2.92Å
1658	H	47.1	Very low	45.2	Very low	81 Å²	81	89.5 Å²	89.5	38%	0.375	49%	0.486	S	S	.	.	H	α-helix	trans	-67.4	-29.3	178.7	-156.5	-96.3	0	0	0	112.7	L1654 K1655 D1656 N1662	L1654-H1658 WeakPolarHBondContact O-CB 3.27Å; L1654-H1658 PolarHBondContact O-N 3.01Å; K1655-H1658 PolarHBondContact O-N 3.37Å; D1656-H1658 VanDerWaalsContact C-N 3.29Å; D1656-H1658 PolarHBondContact O-N 2.92Å; H1658-N1662 PolarHBondContact CE1-ND2 3.42Å; H1658-N1662 VanDerWaalsContact CE1-ND2 3.35Å; H1658-N1662 PolarHBondContact ND1-ND2 3.46Å; H1658-N1662 WeakPolarHBondContact O-CB 3.5Å; H1658-N1662 PolarHBondContact O-ND2 2.71Å
1659	K	48.1	Very low	43.5	Very low	127 Å²	127	96.5 Å²	96.5	55%	0.552	51%	0.511	S	S	*	.	H	α-helix	trans	-68.3	-49.5	168.1	-68.2	169	-165.3	159.7	0	111.3	K1655 D1656 M1657 M1661 N1662	K1655-K1659 WeakPolarHBondContact O-CG 3.46Å; K1655-K1659 PolarHBondContact O-N 3.33Å; K1655-K1659 VanDerWaalsContact O-N 3.11Å; D1656-K1659 PolarHBondContact O-N 2.91Å; D1656-K1659 WeakPolarHBondContact OD1-CE 3.4Å; D1656-K1659 IonicContact OD1-NZ 3.19Å; D1656-K1659 PolarHBondContact OD1-NZ 2.85Å; M1657-K1659 VanDerWaalsContact C-N 3.3Å; M1657-K1659 PolarHBondContact O-N 2.98Å; K1659-M1661 PolarHBondContact O-N 3.32Å; K1659-N1662 PolarHBondContact O-N 2.87Å; K1659-N1662 VanDerWaalsContact O-N 3.08Å
1660	L	43	Very low	41.9	Very low	129 Å²	129	101.7 Å²	101.7	68%	0.675	54%	0.54	S	S	*	.	H	α-helix	trans	-60.1	-27.9	-179	-77	163.8	0	0	0	113.7	D1656 M1657	D1656-L1660 WeakPolarHBondContact O-CG 3.49Å; D1656-L1660 PolarHBondContact O-N 3.44Å; M1657-L1660 PolarHBondContact O-N 3.11Å
1661	M	41.1	Very low	40.4	Very low	131 Å²	131	107 Å²	107	65%	0.645	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-13.2	177	-70.1	-179.2	-178.7	0	0	114.8	M1657 K1659	M1657-M1661 WeakPolarHBondContact O-CG 3.44Å; M1657-M1661 PolarHBondContact O-N 2.92Å; K1659-M1661 PolarHBondContact O-N 3.32Å
1662	N	41.2	Very low	39.1	Very low	108 Å²	108	110 Å²	110	58%	0.578	60%	0.6	S	S	*	*	S	Bend	trans	-115.2	8.1	-168.2	-81.2	-72.5	0	0	0	115.3	H1658 K1659	H1658-N1662 PolarHBondContact CE1-ND2 3.42Å; H1658-N1662 VanDerWaalsContact CE1-ND2 3.35Å; H1658-N1662 PolarHBondContact ND1-ND2 3.46Å; H1658-N1662 WeakPolarHBondContact O-CB 3.5Å; H1658-N1662 PolarHBondContact O-ND2 2.71Å; K1659-N1662 PolarHBondContact O-N 2.87Å; K1659-N1662 VanDerWaalsContact O-N 3.08Å
1663	T	33.5	Very low	37.8	Very low	111 Å²	111	113.3 Å²	113.3	68%	0.681	62%	0.624	S	S	*	*			trans	-126.9	93.5	-177.7	59.6	0	0	0	0	113.6
1664	D	29.6	Very low	36.5	Very low	149 Å²	149	116.5 Å²	116.5	80%	0.797	65%	0.649	S	S	*	*			trans	-67.5	136.8	159.2	-90.4	-44.6	0	0	0	111.1
1665	L	28.4	Very low	35.3	Very low	159 Å²	159	125.5 Å²	125.5	83%	0.832	68%	0.679	S	S	*	*	S	Bend	trans	26.1	92.6	161.9	-63.9	91	0	0	0	118.8
1666	S	27	Very low	34.3	Very low	125 Å²	125	128 Å²	128	87%	0.874	69%	0.693	S	S	*	*			trans	-166.2	161.5	131.5	40.2	0	0	0	0	112.9
1667	S	25.3	Very low	33.4	Very low	90 Å²	90	127.9 Å²	127.9	63%	0.629	69%	0.694	S	S	*	*			trans	-91.3	166.9	-175.1	52	0	0	0	0	113.6
1668	H	26	Very low	32.7	Very low	164 Å²	164	131.1 Å²	131.1	76%	0.759	72%	0.718	S	S	*	*			trans	74.9	99.4	175.3	-46.7	-83.4	0	0	0	116.5
1669	Y	27.8	Very low	32.4	Very low	241 Å²	241	130.1 Å²	130.1	95%	0.945	72%	0.72	S	S	*	*			trans	-134.2	142.7	134.7	-96.3	-74.4	0	0	0	110.7
1670	T	28.4	Very low	32.3	Very low	123 Å²	123	129.1 Å²	129.1	76%	0.755	72%	0.717	S	S	*	*			trans	-92	155.7	-172.7	42	0	0	0	0	112.2	S1672	T1670-S1672 PolarHBondContact O-N 3.17Å
1671	S	27	Very low	32.9	Very low	128 Å²	128	125.4 Å²	125.4	90%	0.895	70%	0.703	S	S	*	*			trans	-70.3	92.3	179.4	55.4	0	0	0	0	112.2
1672	S	27.3	Very low	33.8	Very low	110 Å²	110	122.6 Å²	122.6	77%	0.769	69%	0.693	S	S	*	*			trans	-95.6	91.3	164.7	40.1	0	0	0	0	109.2	T1670 S1674	T1670-S1672 PolarHBondContact O-N 3.17Å; S1672-S1674 PolarHBondContact O-N 3.49Å; S1672-S1674 VanDerWaalsContact O-N 3.1Å
1673	A	28.3	Very low	34.8	Very low	97 Å²	97	123.9 Å²	123.9	80%	0.802	70%	0.695	S	S	*	*			trans	-70.1	105.5	176.2	0	0	0	0	0	110	R1675	A1673-R1675 PolarHBondContact O-N 2.78Å
1674	S	28.6	Very low	36.2	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	67%	0.671	S	S	*	*			trans	-60.5	123.2	171.1	41.7	0	0	0	0	109.7	S1672 Q1676	S1672-S1674 PolarHBondContact O-N 3.49Å; S1672-S1674 VanDerWaalsContact O-N 3.1Å; S1674-Q1676 PolarHBondContact O-N 2.8Å; S1674-Q1676 VanDerWaalsContact O-N 3.17Å
1675	R	28.3	Very low	38.2	Very low	241 Å²	241	115.4 Å²	115.4	91%	0.909	65%	0.647	S	S	*	*			trans	-71.4	109	173.2	-71.3	178	173.8	171.5	-2.7	108.1	A1673	A1673-R1675 PolarHBondContact O-N 2.78Å
1676	Q	34.5	Very low	40	Very low	151 Å²	151	110.2 Å²	110.2	71%	0.706	63%	0.627	S	S	*	*			trans	-52.8	139.8	175.1	-68.7	174.5	-66.8	0	0	110.4	S1674	S1674-Q1676 PolarHBondContact O-N 2.8Å; S1674-Q1676 VanDerWaalsContact O-N 3.17Å
1677	T	31.5	Very low	42.2	Very low	70 Å²	70	106 Å²	106	43%	0.429	59%	0.593	S	S	.	*			trans	-92.8	143	-179.5	62	0	0	0	0	109.8	S1679 E1680	T1677-S1679 PolarHBondContact O-N 2.83Å; T1677-S1679 PolarHBondContact OG1-OG 2.99Å; T1677-S1679 VanDerWaalsContact OG1-OG 3.13Å; T1677-E1680 PolarHBondContact N-OE2 3.02Å; T1677-E1680 PolarHBondContact O-N 3.36Å; T1677-E1680 VanDerWaalsContact O-N 3.16Å; T1677-E1680 PolarHBondContact OG1-OE2 3.18Å
1678	P	35	Very low	44.6	Very low	107 Å²	107	101.7 Å²	101.7	70%	0.695	56%	0.563	S	S	*	*	H	α-helix	trans	-61.9	-21.1	-172.3	22.5	-33.2	0	0	0	113.9	E1680 S1681	P1678-E1680 PolarHBondContact O-N 3.14Å; P1678-S1681 PolarHBondContact O-N 3.36Å; P1678-S1681 PolarHBondContact O-OG 3.13Å
1679	S	40.3	Very low	47	Very low	60 Å²	60	97 Å²	97	42%	0.42	54%	0.543	S	S	.	.	H	α-helix	trans	-59.8	-38.3	175.2	25.3	0	0	0	0	114.3	T1677 S1681 T1682	T1677-S1679 PolarHBondContact O-N 2.83Å; T1677-S1679 PolarHBondContact OG1-OG 2.99Å; T1677-S1679 VanDerWaalsContact OG1-OG 3.13Å; S1679-S1681 PolarHBondContact O-N 2.74Å; S1679-T1682 PolarHBondContact O-OG1 3.06Å
1680	E	46.3	Very low	48.9	Very low	106 Å²	106	87 Å²	87	50%	0.495	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-29.2	-176.6	-63.2	166	121.8	0	0	111.4	T1677 P1678 T1682 E1683 A1684	T1677-E1680 PolarHBondContact N-OE2 3.02Å; T1677-E1680 PolarHBondContact O-N 3.36Å; T1677-E1680 VanDerWaalsContact O-N 3.16Å; T1677-E1680 PolarHBondContact OG1-OE2 3.18Å; P1678-E1680 PolarHBondContact O-N 3.14Å; E1680-T1682 PolarHBondContact O-N 3.09Å; E1680-E1683 PolarHBondContact O-N 3.15Å; E1680-A1684 PolarHBondContact O-N 2.93Å
1681	S	54.6	Low	51.3	Low	52 Å²	52	81.8 Å²	81.8	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-65.5	-37	-175.7	73.4	0	0	0	0	113.5	P1678 S1679 Q1685	P1678-S1681 PolarHBondContact O-N 3.36Å; P1678-S1681 PolarHBondContact O-OG 3.13Å; S1679-S1681 PolarHBondContact O-N 2.74Å; S1681-Q1685 WeakPolarHBondContact O-CG 3.47Å; S1681-Q1685 PolarHBondContact O-N 3.32Å; S1681-Q1685 VanDerWaalsContact O-N 3.11Å
1682	T	61.9	Low	53.9	Low	71 Å²	71	75.7 Å²	75.7	44%	0.436	43%	0.43	S	S	.	.	H	α-helix	trans	-73.7	-31.7	-179.1	37.6	0	0	0	0	113.1	S1679 E1680 A1686	S1679-T1682 PolarHBondContact O-OG1 3.06Å; E1680-T1682 PolarHBondContact O-N 3.09Å; T1682-A1686 PolarHBondContact O-N 3.35Å; T1682-A1686 VanDerWaalsContact O-N 3.11Å
1683	E	61	Low	56.3	Low	135 Å²	135	74.9 Å²	74.9	63%	0.631	41%	0.413	S	S	*	.	H	α-helix	trans	-74.5	-40.8	178.4	-63.2	-177.5	175	0	0	110.8	E1680 Q1685 A1686 F1687	E1680-E1683 PolarHBondContact O-N 3.15Å; E1683-Q1685 PolarHBondContact O-N 3.47Å; E1683-A1686 PolarHBondContact O-N 2.82Å; E1683-F1687 WeakPolarHBondContact O-CB 3.46Å; E1683-F1687 PolarHBondContact O-N 3.16Å
1684	A	63.4	Low	58.6	Low	21 Å²	21	70.8 Å²	70.8	17%	0.174	38%	0.377	C	S	.	.	H	α-helix	trans	-59	-43.8	170.3	0	0	0	0	0	112.1	L1638 E1680 A1686 F1687 L1688	L1638-A1684 HydrophobicContact CD1-CB 4.3Å; E1680-A1684 PolarHBondContact O-N 2.93Å; A1684-A1686 PolarHBondContact O-N 3.45Å; A1684-F1687 PolarHBondContact O-N 3.26Å; A1684-L1688 WeakPolarHBondContact O-CG 3.28Å; A1684-L1688 PolarHBondContact O-N 2.94Å
1685	Q	71.4	Confident	61.1	Low	62 Å²	62	65.5 Å²	65.5	29%	0.29	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-41.1	177.9	-73.6	172.4	26.2	0	0	113	W1634 L1638 S1681 E1683 L1688 L1689	W1634-Q1685 HydrophobicContact CB-CG 3.8Å; W1634-Q1685 HydrophobicContact CG-CG 4.39Å; L1638-Q1685 HydrophobicContact CD1-CG 3.99Å; S1681-Q1685 WeakPolarHBondContact O-CG 3.47Å; S1681-Q1685 PolarHBondContact O-N 3.32Å; S1681-Q1685 VanDerWaalsContact O-N 3.11Å; E1683-Q1685 PolarHBondContact O-N 3.47Å; Q1685-L1688 PolarHBondContact O-N 2.95Å; Q1685-L1689 WeakPolarHBondContact O-CB 3.29Å; Q1685-L1689 PolarHBondContact O-N 2.9Å
1686	A	66.7	Low	63.7	Low	50 Å²	50	55.7 Å²	55.7	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-45.7	175.1	0	0	0	0	0	111.5	T1682 E1683 A1684 L1688 L1689 D1690	T1682-A1686 PolarHBondContact O-N 3.35Å; T1682-A1686 VanDerWaalsContact O-N 3.11Å; E1683-A1686 PolarHBondContact O-N 2.82Å; A1684-A1686 PolarHBondContact O-N 3.45Å; A1686-L1688 PolarHBondContact O-N 3.48Å; A1686-L1689 PolarHBondContact O-N 3.39Å; A1686-D1690 PolarHBondContact O-N 2.85Å
1687	F	71.8	Confident	65.6	Low	36 Å²	36	50.6 Å²	50.6	16%	0.158	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-43.7	176.6	173	-114.9	0	0	0	112.9	W1614 H1618 E1683 A1684 R1691 V1784	W1614-F1687 HydrophobicContact CH2-CZ 4.14Å; H1618-F1687 AromaticContact CE1-CE1 3.79Å; H1618-F1687 AromaticContact NE2-CE1 3.46Å; H1618-F1687 WeakPolarHBondContact NE2-CE1 3.2Å; E1683-F1687 WeakPolarHBondContact O-CB 3.46Å; E1683-F1687 PolarHBondContact O-N 3.16Å; A1684-F1687 PolarHBondContact O-N 3.26Å; F1687-R1691 WeakPolarHBondContact O-CB 3.32Å; F1687-R1691 PolarHBondContact O-N 3.46Å; F1687-V1784 HydrophobicContact CD2-CG1 4.14Å; F1687-V1784 HydrophobicContact CD2-CG2 4.22Å; F1687-V1784 HydrophobicContact CE2-CG1 3.76Å; F1687-V1784 HydrophobicContact CE2-CG2 4.48Å
1688	L	76.8	Confident	67.8	Low	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-36.8	175.8	-66.1	-171.8	0	0	0	112.7	L1622 W1634 L1638 L1646 A1684 Q1685 A1686 L1692	L1622-L1688 HydrophobicContact CD1-CB 4.4Å; L1622-L1688 HydrophobicContact CD1-CD2 4.29Å; L1622-L1688 HydrophobicContact CD2-CD2 4.49Å; W1634-L1688 HydrophobicContact CD2-CB 4.49Å; W1634-L1688 HydrophobicContact CE3-CB 3.85Å; W1634-L1688 HydrophobicContact CE3-CD1 3.92Å; W1634-L1688 HydrophobicContact CH2-CB 4.11Å; W1634-L1688 HydrophobicContact CZ3-CB 3.65Å; W1634-L1688 HydrophobicContact CZ3-CD1 4.23Å; L1638-L1688 HydrophobicContact CD1-CD1 4.41Å; L1638-L1688 HydrophobicContact CD2-CD1 3.92Å; L1638-L1688 HydrophobicContact CG-CD1 4.11Å; L1646-L1688 HydrophobicContact CB-CD1 4.47Å; L1646-L1688 HydrophobicContact CB-CD2 4.31Å; L1646-L1688 HydrophobicContact CD1-CD1 4.38Å; L1646-L1688 HydrophobicContact CD2-CD2 4.09Å; A1684-L1688 WeakPolarHBondContact O-CG 3.28Å; A1684-L1688 PolarHBondContact O-N 2.94Å; Q1685-L1688 PolarHBondContact O-N 2.95Å; A1686-L1688 PolarHBondContact O-N 3.48Å; L1688-L1692 WeakPolarHBondContact O-CB 3.12Å; L1688-L1692 PolarHBondContact O-N 2.86Å
1689	L	77.3	Confident	70.1	Confident	66 Å²	66	42.6 Å²	42.6	35%	0.346	23%	0.229	S	C	.	.	H	α-helix	trans	-68	-46.7	178.2	177.9	64	0	0	0	112.2	W1634 Q1685 A1686 L1692 K1693	W1634-L1689 HydrophobicContact CZ2-CB 3.96Å; W1634-L1689 HydrophobicContact CZ2-CD1 3.9Å; Q1685-L1689 WeakPolarHBondContact O-CB 3.29Å; Q1685-L1689 PolarHBondContact O-N 2.9Å; A1686-L1689 PolarHBondContact O-N 3.39Å; L1689-L1692 PolarHBondContact O-N 3.25Å; L1689-K1693 PolarHBondContact O-N 3.04Å
1690	D	67.5	Low	72	Confident	31 Å²	31	42.5 Å²	42.5	17%	0.166	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-34.9	179.1	-73	-25.4	0	0	0	111.8	A1686 L1692 K1693 L1694	A1686-D1690 PolarHBondContact O-N 2.85Å; D1690-L1692 VanDerWaalsContact C-N 3.34Å; D1690-K1693 PolarHBondContact O-N 2.98Å; D1690-K1693 WeakPolarHBondContact OD1-CE 3.32Å; D1690-K1693 IonicContact OD1-NZ 3.43Å; D1690-K1693 PolarHBondContact OD1-NZ 2.91Å; D1690-L1694 PolarHBondContact O-N 3.47Å
1691	R	77.6	Confident	73.4	Confident	12 Å²	12	37.6 Å²	37.6	5%	0.045	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-32.1	172.2	-166.8	161.8	-179.8	167	0.2	112.5	W1614 H1615 H1618 D1619 L1622 F1687 L1695	W1614-R1691 VanDerWaalsContact CZ3-NH1 3.32Å; H1615-R1691 PolarHBondContact ND1-NH2 3.25Å; H1615-R1691 PolarHBondContact O-NH2 3.12Å; H1618-R1691 PolarHBondContact ND1-NH1 3.11Å; D1619-R1691 IonicContact OD1-CZ 2.64Å; D1619-R1691 IonicContact OD1-NE 2.7Å; D1619-R1691 PolarHBondContact OD1-NE 3.04Å; D1619-R1691 IonicContact OD1-NH2 3.87Å; D1619-R1691 PolarHBondContact OD1-NH2 3.36Å; D1619-R1691 IonicContact OD2-CZ 3.6Å; D1619-R1691 IonicContact OD2-NE 3.51Å; D1619-R1691 IonicContact OD2-NH2 3.78Å; D1619-R1691 PolarHBondContact OD2-NH2 3.45Å; L1622-R1691 HydrophobicContact CD2-CB 4.24Å; L1622-R1691 HydrophobicContact CD2-CG 4.17Å; F1687-R1691 WeakPolarHBondContact O-CB 3.32Å; F1687-R1691 PolarHBondContact O-N 3.46Å; R1691-L1695 VanDerWaalsContact O-CG 3.31Å; R1691-L1695 WeakPolarHBondContact O-CG 3.16Å; R1691-L1695 PolarHBondContact O-N 2.58Å
1692	L	82.8	Confident	74.5	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-44.8	172.6	177.1	58.7	0	0	0	112.2	I1539 L1623 I1626 Y1631 W1634 L1688 L1689 D1690 L1694 L1695 E1696	I1539-L1692 HydrophobicContact CD1-CD1 4.32Å; L1623-L1692 HydrophobicContact CD2-CD1 4.45Å; I1626-L1692 HydrophobicContact CD1-CD1 3.48Å; I1626-L1692 VanDerWaalsContact CD1-CD1 3.48Å; I1626-L1692 HydrophobicContact CD1-CD2 3.71Å; I1626-L1692 HydrophobicContact CD1-CG 4.16Å; Y1631-L1692 HydrophobicContact CD2-CD2 4.48Å; Y1631-L1692 HydrophobicContact CE2-CD2 3.7Å; W1634-L1692 HydrophobicContact CH2-CB 4.13Å; W1634-L1692 HydrophobicContact CH2-CD2 3.74Å; W1634-L1692 HydrophobicContact CZ2-CD2 4.18Å; L1688-L1692 WeakPolarHBondContact O-CB 3.12Å; L1688-L1692 PolarHBondContact O-N 2.86Å; L1689-L1692 PolarHBondContact O-N 3.25Å; D1690-L1692 VanDerWaalsContact C-N 3.34Å; L1692-L1694 PolarHBondContact O-N 3.1Å; L1692-L1695 CarbonylContact O-C 3.59Å; L1692-L1695 WeakPolarHBondContact O-CA 3.21Å; L1692-L1695 WeakPolarHBondContact O-CB 3.48Å; L1692-L1695 PolarHBondContact O-N 3.18Å; L1692-E1696 HydrophobicContact CD1-CG 4.01Å; L1692-E1696 HydrophobicContact CG-CG 4.18Å; L1692-E1696 WeakPolarHBondContact O-CG 3.37Å; L1692-E1696 PolarHBondContact O-N 3.19Å
1693	K	77.6	Confident	75.4	Confident	93 Å²	93	36.9 Å²	36.9	40%	0.404	19%	0.187	S	C	.	.	H	α-helix	trans	-54.7	-42.9	178.3	-65.6	168.3	-170.5	165.3	0	112.1	L1689 D1690 E1696 Q1697	L1689-K1693 PolarHBondContact O-N 3.04Å; D1690-K1693 PolarHBondContact O-N 2.98Å; D1690-K1693 WeakPolarHBondContact OD1-CE 3.32Å; D1690-K1693 IonicContact OD1-NZ 3.43Å; D1690-K1693 PolarHBondContact OD1-NZ 2.91Å; K1693-E1696 PolarHBondContact O-N 2.76Å; K1693-Q1697 WeakPolarHBondContact O-CG 3.41Å; K1693-Q1697 PolarHBondContact O-N 3.04Å
1694	L	74.8	Confident	76.2	Confident	10 Å²	10	31.4 Å²	31.4	5%	0.052	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-42.4	175.5	-70.1	173.5	0	0	0	112.3	L1575 L1576 D1690 L1692 A1698 M1780	L1575-L1694 HydrophobicContact CB-CD2 3.52Å; L1575-L1694 HydrophobicContact CD1-CD2 4.49Å; L1576-L1694 HydrophobicContact CD1-CB 3.76Å; L1576-L1694 HydrophobicContact CD2-CB 4.46Å; L1576-L1694 HydrophobicContact CD2-CD1 4.3Å; L1576-L1694 HydrophobicContact CG-CB 3.81Å; L1576-L1694 HydrophobicContact CG-CD1 4.11Å; L1576-L1694 HydrophobicContact CG-CG 4.43Å; D1690-L1694 PolarHBondContact O-N 3.47Å; L1692-L1694 PolarHBondContact O-N 3.1Å; L1694-A1698 VanDerWaalsContact O-CB 3.31Å; L1694-A1698 WeakPolarHBondContact O-CB 3.3Å; L1694-A1698 PolarHBondContact O-N 3.13Å; L1694-M1780 HydrophobicContact CD1-CE 4.07Å; L1694-M1780 HydrophobicContact CD2-CE 3.91Å; L1694-M1780 HydrophobicContact CD2-SD 3.89Å; L1694-M1780 HydrophobicContact CG-CE 4.08Å; L1694-M1780 HydrophobicContact CG-SD 4.47Å
1695	L	82.6	Confident	76.8	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-69	-35	176.9	-65	168.7	0	0	0	112.3	I1568 L1576 D1619 L1622 L1623 R1691 L1692 A1698 L1699	I1568-L1695 HydrophobicContact CD1-CD2 3.34Å; L1576-L1695 HydrophobicContact CD1-CD2 4.11Å; D1619-L1695 HydrophobicContact CB-CD1 4.39Å; D1619-L1695 HydrophobicContact CB-CD2 4.02Å; L1622-L1695 HydrophobicContact CD2-CD1 3.71Å; L1622-L1695 HydrophobicContact CG-CD1 4.23Å; L1623-L1695 HydrophobicContact CD2-CB 4.42Å; L1623-L1695 HydrophobicContact CD2-CD1 4.19Å; L1623-L1695 HydrophobicContact CG-CD1 4.46Å; R1691-L1695 VanDerWaalsContact O-CG 3.31Å; R1691-L1695 WeakPolarHBondContact O-CG 3.16Å; R1691-L1695 PolarHBondContact O-N 2.58Å; L1692-L1695 CarbonylContact O-C 3.59Å; L1692-L1695 WeakPolarHBondContact O-CA 3.21Å; L1692-L1695 WeakPolarHBondContact O-CB 3.48Å; L1692-L1695 PolarHBondContact O-N 3.18Å; L1695-A1698 PolarHBondContact O-N 2.96Å; L1695-L1699 WeakPolarHBondContact O-CB 3.38Å; L1695-L1699 VanDerWaalsContact O-CG 3.23Å; L1695-L1699 WeakPolarHBondContact O-CG 3.44Å; L1695-L1699 PolarHBondContact O-N 2.77Å
1696	E	81.5	Confident	77.1	Confident	35 Å²	35	31.1 Å²	31.1	16%	0.164	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-49.2	173.4	-69.7	179.7	156.8	0	0	110.8	V1535 Y1631 L1692 K1693 A1698 L1699 I1700	V1535-E1696 HydrophobicContact CG1-CG 3.82Å; Y1631-E1696 WeakPolarHBondContact CE2-OE1 3.36Å; Y1631-E1696 PolarHBondContact OH-OE1 3.16Å; L1692-E1696 HydrophobicContact CD1-CG 4.01Å; L1692-E1696 HydrophobicContact CG-CG 4.18Å; L1692-E1696 WeakPolarHBondContact O-CG 3.37Å; L1692-E1696 PolarHBondContact O-N 3.19Å; K1693-E1696 PolarHBondContact O-N 2.76Å; E1696-A1698 PolarHBondContact O-N 2.91Å; E1696-L1699 PolarHBondContact O-N 3.29Å; E1696-I1700 WeakPolarHBondContact O-CD1 3.37Å; E1696-I1700 WeakPolarHBondContact O-CG1 3.4Å; E1696-I1700 PolarHBondContact O-N 2.77Å
1697	Q	76.1	Confident	77.5	Confident	44 Å²	44	32.6 Å²	32.6	21%	0.206	15%	0.154	C	C	.	.	H	α-helix	trans	-56.5	-47.7	173.2	-73.4	176.5	-15.5	0	0	111.8	K1693 L1699 I1700 V1701 M1773	K1693-Q1697 WeakPolarHBondContact O-CG 3.41Å; K1693-Q1697 PolarHBondContact O-N 3.04Å; Q1697-L1699 PolarHBondContact O-N 2.84Å; Q1697-I1700 PolarHBondContact O-N 2.99Å; Q1697-V1701 WeakPolarHBondContact O-CG2 3.45Å; Q1697-V1701 PolarHBondContact O-N 2.91Å; Q1697-M1773 HydrophobicContact CB-CE 3.86Å; Q1697-M1773 HydrophobicContact CB-SD 4.07Å; Q1697-M1773 HydrophobicContact CG-CE 4.17Å; Q1697-M1773 HydrophobicContact CG-CG 4.4Å; Q1697-M1773 HydrophobicContact CG-SD 4.14Å
1698	A	76.4	Confident	77.5	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.3	-39.4	-179.8	0	0	0	0	0	113.7	I1568 E1570 T1574 L1576 L1694 L1695 E1696 V1701 E1702	I1568-A1698 HydrophobicContact CG2-CB 4Å; E1570-A1698 HydrophobicContact CG-CB 3.77Å; E1570-A1698 WeakPolarHBondContact OE2-CB 3.21Å; T1574-A1698 HydrophobicContact CG2-CB 4.24Å; L1576-A1698 HydrophobicContact CD1-CB 4.24Å; L1694-A1698 VanDerWaalsContact O-CB 3.31Å; L1694-A1698 WeakPolarHBondContact O-CB 3.3Å; L1694-A1698 PolarHBondContact O-N 3.13Å; L1695-A1698 PolarHBondContact O-N 2.96Å; E1696-A1698 PolarHBondContact O-N 2.91Å; A1698-V1701 PolarHBondContact O-N 2.71Å; A1698-E1702 PolarHBondContact O-N 2.74Å
1699	L	83.5	Confident	77.4	Confident	9 Å²	9	31 Å²	31	5%	0.047	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-36.8	176.4	-74.6	168.8	0	0	0	112.2	L1538 I1539 K1542 L1695 E1696 Q1697 Q1703	L1538-L1699 HydrophobicContact CB-CB 4.23Å; L1538-L1699 HydrophobicContact CB-CD1 4.41Å; L1538-L1699 HydrophobicContact CD1-CB 4.24Å; I1539-L1699 HydrophobicContact CG1-CD1 3.6Å; K1542-L1699 HydrophobicContact CB-CD2 3.82Å; K1542-L1699 HydrophobicContact CD-CD2 3.91Å; K1542-L1699 HydrophobicContact CG-CD2 3.78Å; L1695-L1699 WeakPolarHBondContact O-CB 3.38Å; L1695-L1699 VanDerWaalsContact O-CG 3.23Å; L1695-L1699 WeakPolarHBondContact O-CG 3.44Å; L1695-L1699 PolarHBondContact O-N 2.77Å; E1696-L1699 PolarHBondContact O-N 3.29Å; Q1697-L1699 PolarHBondContact O-N 2.84Å; L1699-Q1703 WeakPolarHBondContact O-CB 3.42Å; L1699-Q1703 PolarHBondContact O-N 3.41Å
1700	I	80.2	Confident	77.3	Confident	57 Å²	57	32.4 Å²	32.4	29%	0.292	15%	0.152	S	C	.	.	H	α-helix	trans	-69.5	-39.3	176	-61.5	162.5	0	0	0	110.6	L1538 E1696 Q1697 Q1703 T1704 L1769	L1538-I1700 HydrophobicContact CD1-CG1 4.21Å; E1696-I1700 WeakPolarHBondContact O-CD1 3.37Å; E1696-I1700 WeakPolarHBondContact O-CG1 3.4Å; E1696-I1700 PolarHBondContact O-N 2.77Å; Q1697-I1700 PolarHBondContact O-N 2.99Å; I1700-Q1703 PolarHBondContact O-N 2.61Å; I1700-T1704 HydrophobicContact CG2-CG2 4.49Å; I1700-T1704 WeakPolarHBondContact O-CB 3.44Å; I1700-T1704 WeakPolarHBondContact O-CG2 3.48Å; I1700-T1704 PolarHBondContact O-N 2.69Å; I1700-T1704 PolarHBondContact O-OG1 2.75Å; I1700-L1769 HydrophobicContact CG2-CD1 3.91Å; I1700-L1769 HydrophobicContact CG2-CD2 3.74Å; I1700-L1769 HydrophobicContact CG2-CG 4.5Å
1701	V	75.5	Confident	77.4	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-40.9	174.6	174.4	0	0	0	0	111.8	L1573 T1574 Q1697 A1698 T1704 L1705 L1769 M1773	L1573-V1701 HydrophobicContact CB-CG1 4Å; L1573-V1701 HydrophobicContact CD1-CG1 4.08Å; T1574-V1701 HydrophobicContact CG2-CG2 4.42Å; Q1697-V1701 WeakPolarHBondContact O-CG2 3.45Å; Q1697-V1701 PolarHBondContact O-N 2.91Å; A1698-V1701 PolarHBondContact O-N 2.71Å; V1701-T1704 WeakPolarHBondContact CA-OG1 3.42Å; V1701-T1704 PolarHBondContact O-OG1 3.36Å; V1701-L1705 HydrophobicContact CG1-CD1 3.96Å; V1701-L1705 HydrophobicContact CG1-CG 4.5Å; V1701-L1705 WeakPolarHBondContact O-CB 3.38Å; V1701-L1705 WeakPolarHBondContact O-CD1 3.46Å; V1701-L1705 VanDerWaalsContact O-CG 3.24Å; V1701-L1705 WeakPolarHBondContact O-CG 3.34Å; V1701-L1705 PolarHBondContact O-N 2.82Å; V1701-L1769 HydrophobicContact CG2-CD2 4.08Å; V1701-M1773 HydrophobicContact CG2-CE 4.4Å; V1701-M1773 HydrophobicContact CG2-SD 4.06Å
1702	E	78.2	Confident	76.9	Confident	35 Å²	35	32.8 Å²	32.8	16%	0.164	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-38.7	175.2	-170.4	171.2	160.4	0	0	111.7	K1542 I1568 H1569 A1698 Y1706 R1728	K1542-E1702 IonicContact NZ-OE1 3.99Å; K1542-E1702 PolarHBondContact NZ-OE1 2.85Å; K1542-E1702 IonicContact NZ-OE2 3.04Å; K1542-E1702 PolarHBondContact NZ-OE2 3.03Å; I1568-E1702 WeakPolarHBondContact CA-OE2 3.43Å; I1568-E1702 VanDerWaalsContact CG2-OE2 3.24Å; I1568-E1702 WeakPolarHBondContact CG2-OE2 3.33Å; H1569-E1702 HydrophobicContact CB-CG 4.28Å; H1569-E1702 IonicContact CD2-OE1 2.71Å; H1569-E1702 PolarHBondContact CD2-OE1 2.81Å; H1569-E1702 PolarHBondContact N-OE2 2.61Å; A1698-E1702 PolarHBondContact O-N 2.74Å; E1702-Y1706 PolarHBondContact O-N 3.25Å; E1702-Y1706 VanDerWaalsContact O-N 3.11Å; E1702-R1728 IonicContact OE1-NH2 3.08Å
1703	Q	81	Confident	76.3	Confident	72 Å²	72	34.1 Å²	34.1	34%	0.336	17%	0.169	S	C	.	.	H	α-helix	trans	-67.3	-49.2	176.8	177.5	60.6	29.4	0	0	112.6	L1538 L1699 I1700 L1705 Y1706 E1707	L1538-Q1703 HydrophobicContact CD2-CB 3.93Å; L1538-Q1703 HydrophobicContact CD2-CG 4Å; L1699-Q1703 WeakPolarHBondContact O-CB 3.42Å; L1699-Q1703 PolarHBondContact O-N 3.41Å; I1700-Q1703 PolarHBondContact O-N 2.61Å; Q1703-L1705 VanDerWaalsContact C-N 3.33Å; Q1703-L1705 PolarHBondContact O-N 3.01Å; Q1703-Y1706 WeakPolarHBondContact O-CA 3.45Å; Q1703-Y1706 VanDerWaalsContact O-CB 3.24Å; Q1703-Y1706 WeakPolarHBondContact O-CB 3.31Å; Q1703-Y1706 PolarHBondContact O-N 2.93Å; Q1703-E1707 WeakPolarHBondContact CG-OE1 3.36Å; Q1703-E1707 PolarHBondContact NE2-OE1 3.04Å; Q1703-E1707 PolarHBondContact O-N 3.34Å
1704	T	77.3	Confident	75.7	Confident	21 Å²	21	32.9 Å²	32.9	13%	0.129	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-36.2	179.3	47.2	0	0	0	0	112.1	I1700 V1701 Y1706 E1707 V1708 L1766	I1700-T1704 HydrophobicContact CG2-CG2 4.49Å; I1700-T1704 WeakPolarHBondContact O-CB 3.44Å; I1700-T1704 WeakPolarHBondContact O-CG2 3.48Å; I1700-T1704 PolarHBondContact O-N 2.69Å; I1700-T1704 PolarHBondContact O-OG1 2.75Å; V1701-T1704 WeakPolarHBondContact CA-OG1 3.42Å; V1701-T1704 PolarHBondContact O-OG1 3.36Å; T1704-Y1706 VanDerWaalsContact C-N 3.3Å; T1704-Y1706 PolarHBondContact O-N 2.97Å; T1704-E1707 PolarHBondContact O-N 2.84Å; T1704-V1708 WeakPolarHBondContact O-CG2 3.28Å; T1704-V1708 PolarHBondContact O-N 3.25Å; T1704-L1766 WeakPolarHBondContact OG1-CD1 3.4Å
1705	L	75.6	Confident	74.8	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-33.2	170	-74.6	169.9	0	0	0	113	L1573 V1701 Q1703 A1709 A1731 L1734 L1738	L1573-L1705 HydrophobicContact CD1-CD1 4.04Å; V1701-L1705 HydrophobicContact CG1-CD1 3.96Å; V1701-L1705 HydrophobicContact CG1-CG 4.5Å; V1701-L1705 WeakPolarHBondContact O-CB 3.38Å; V1701-L1705 WeakPolarHBondContact O-CD1 3.46Å; V1701-L1705 VanDerWaalsContact O-CG 3.24Å; V1701-L1705 WeakPolarHBondContact O-CG 3.34Å; V1701-L1705 PolarHBondContact O-N 2.82Å; Q1703-L1705 VanDerWaalsContact C-N 3.33Å; Q1703-L1705 PolarHBondContact O-N 3.01Å; L1705-A1709 VanDerWaalsContact O-CB 3.31Å; L1705-A1709 WeakPolarHBondContact O-CB 3.39Å; L1705-A1709 PolarHBondContact O-N 3.22Å; L1705-A1731 HydrophobicContact CB-CB 4.3Å; L1705-L1734 HydrophobicContact CD2-CB 4.25Å; L1705-L1738 HydrophobicContact CD2-CD1 4.07Å
1706	Y	79.4	Confident	73.4	Confident	70 Å²	70	39.3 Å²	39.3	28%	0.275	21%	0.214	S	C	.	.	H	α-helix	trans	-66.9	-42.1	173.5	-158.8	-89.6	0	0	0	111.2	E1702 Q1703 T1704 A1709 E1710 I1727	E1702-Y1706 PolarHBondContact O-N 3.25Å; E1702-Y1706 VanDerWaalsContact O-N 3.11Å; Q1703-Y1706 WeakPolarHBondContact O-CA 3.45Å; Q1703-Y1706 VanDerWaalsContact O-CB 3.24Å; Q1703-Y1706 WeakPolarHBondContact O-CB 3.31Å; Q1703-Y1706 PolarHBondContact O-N 2.93Å; T1704-Y1706 VanDerWaalsContact C-N 3.3Å; T1704-Y1706 PolarHBondContact O-N 2.97Å; Y1706-A1709 WeakPolarHBondContact O-CB 3.3Å; Y1706-A1709 PolarHBondContact O-N 3.21Å; Y1706-E1710 WeakPolarHBondContact O-CB 3.39Å; Y1706-E1710 PolarHBondContact O-N 2.88Å; Y1706-I1727 HydrophobicContact CD1-CG2 3.75Å; Y1706-I1727 HydrophobicContact CD2-CB 4.49Å; Y1706-I1727 HydrophobicContact CD2-CG2 3.72Å; Y1706-I1727 HydrophobicContact CE1-CB 4.26Å; Y1706-I1727 HydrophobicContact CE1-CD1 3.91Å; Y1706-I1727 HydrophobicContact CE1-CG2 3.64Å; Y1706-I1727 HydrophobicContact CE2-CB 3.92Å; Y1706-I1727 HydrophobicContact CE2-CG2 3.61Å; Y1706-I1727 HydrophobicContact CG-CG2 3.79Å
1707	E	74.4	Confident	71.9	Confident	81 Å²	81	42.4 Å²	42.4	38%	0.379	23%	0.23	S	C	.	.	H	α-helix	trans	-66.4	-41.3	176.5	-71	169.8	-159.4	0	0	112.6	Q1703 T1704 A1709 E1710 A1711 V1762	Q1703-E1707 WeakPolarHBondContact CG-OE1 3.36Å; Q1703-E1707 PolarHBondContact NE2-OE1 3.04Å; Q1703-E1707 PolarHBondContact O-N 3.34Å; T1704-E1707 PolarHBondContact O-N 2.84Å; E1707-A1709 VanDerWaalsContact C-N 3.27Å; E1707-A1709 PolarHBondContact O-N 3.31Å; E1707-E1710 PolarHBondContact O-N 3.44Å; E1707-A1711 VanDerWaalsContact O-CB 3.25Å; E1707-A1711 WeakPolarHBondContact O-CB 3.32Å; E1707-A1711 PolarHBondContact O-N 3.04Å; E1707-V1762 HydrophobicContact CB-CG1 4.27Å
1708	V	72.4	Confident	70.7	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-41.7	170.5	176	0	0	0	0	110.5	T1704 A1712 L1734 V1762 V1763	T1704-V1708 WeakPolarHBondContact O-CG2 3.28Å; T1704-V1708 PolarHBondContact O-N 3.25Å; V1708-A1712 WeakPolarHBondContact O-CB 3.24Å; V1708-A1712 PolarHBondContact O-N 3.47Å; V1708-L1734 HydrophobicContact CB-CD1 4.3Å; V1708-L1734 HydrophobicContact CG1-CD1 3.7Å; V1708-V1762 HydrophobicContact CG2-CB 4.17Å; V1708-V1762 HydrophobicContact CG2-CG1 3.47Å; V1708-V1762 VanDerWaalsContact CG2-CG1 3.47Å; V1708-V1763 HydrophobicContact CG1-CG2 4.42Å; V1708-V1763 HydrophobicContact CG2-CG2 4.41Å
1709	A	74.3	Confident	69.3	Low	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.9	-39.8	-179.2	0	0	0	0	0	112.9	L1705 Y1706 E1707 L1713 I1727 L1730 A1731 L1734	L1705-A1709 VanDerWaalsContact O-CB 3.31Å; L1705-A1709 WeakPolarHBondContact O-CB 3.39Å; L1705-A1709 PolarHBondContact O-N 3.22Å; Y1706-A1709 WeakPolarHBondContact O-CB 3.3Å; Y1706-A1709 PolarHBondContact O-N 3.21Å; E1707-A1709 VanDerWaalsContact C-N 3.27Å; E1707-A1709 PolarHBondContact O-N 3.31Å; A1709-L1713 WeakPolarHBondContact O-CB 3.31Å; A1709-L1713 WeakPolarHBondContact O-CD1 3.24Å; A1709-L1713 VanDerWaalsContact O-CG 3.29Å; A1709-L1713 WeakPolarHBondContact O-CG 3.4Å; A1709-L1713 PolarHBondContact O-N 3.38Å; A1709-I1727 HydrophobicContact CB-CG2 3.66Å; A1709-L1730 HydrophobicContact CB-CB 4.25Å; A1709-L1730 HydrophobicContact CB-CD2 3.58Å; A1709-A1731 HydrophobicContact CB-CB 4.14Å; A1709-L1734 HydrophobicContact CB-CD1 4.45Å
1710	E	73.7	Confident	67.8	Low	95 Å²	95	61.7 Å²	61.7	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-47.8	174	-174.2	174.7	175.3	0	0	111.1	Y1706 E1707 A1712 L1713 S1714 I1727	Y1706-E1710 WeakPolarHBondContact O-CB 3.39Å; Y1706-E1710 PolarHBondContact O-N 2.88Å; E1707-E1710 PolarHBondContact O-N 3.44Å; E1710-A1712 VanDerWaalsContact C-N 3.31Å; E1710-A1712 PolarHBondContact O-N 3.06Å; E1710-L1713 PolarHBondContact O-N 3.12Å; E1710-S1714 WeakPolarHBondContact O-CB 3.45Å; E1710-S1714 PolarHBondContact O-N 3.09Å; E1710-I1727 HydrophobicContact CB-CD1 4.35Å; E1710-I1727 HydrophobicContact CB-CG2 4.38Å; E1710-I1727 HydrophobicContact CG-CD1 4.37Å
1711	A	70.7	Confident	66.5	Low	19 Å²	19	66.6 Å²	66.6	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-56.9	-44.2	176.6	0	0	0	0	0	111.7	E1707 S1714	E1707-A1711 VanDerWaalsContact O-CB 3.25Å; E1707-A1711 WeakPolarHBondContact O-CB 3.32Å; E1707-A1711 PolarHBondContact O-N 3.04Å; A1711-S1714 PolarHBondContact O-OG 3.05Å
1712	A	67.5	Low	65.6	Low	31 Å²	31	68.7 Å²	68.7	26%	0.256	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-46.6	175.8	0	0	0	0	0	112.5	V1708 E1710 S1715 L1730	V1708-A1712 WeakPolarHBondContact O-CB 3.24Å; V1708-A1712 PolarHBondContact O-N 3.47Å; E1710-A1712 VanDerWaalsContact C-N 3.31Å; E1710-A1712 PolarHBondContact O-N 3.06Å; A1712-S1715 PolarHBondContact O-OG 3.02Å; A1712-L1730 HydrophobicContact CB-CD2 4.46Å
1713	L	69.7	Low	65.1	Low	30 Å²	30	71.2 Å²	71.2	16%	0.157	38%	0.383	C	S	.	.	H	α-helix	trans	-71.7	-33.6	-177.8	-72.3	167.3	0	0	0	113.2	A1709 E1710 S1715 T1716 V1722 R1726 I1727 L1730	A1709-L1713 WeakPolarHBondContact O-CB 3.31Å; A1709-L1713 WeakPolarHBondContact O-CD1 3.24Å; A1709-L1713 VanDerWaalsContact O-CG 3.29Å; A1709-L1713 WeakPolarHBondContact O-CG 3.4Å; A1709-L1713 PolarHBondContact O-N 3.38Å; E1710-L1713 PolarHBondContact O-N 3.12Å; L1713-S1715 PolarHBondContact O-N 3.16Å; L1713-T1716 PolarHBondContact O-N 2.94Å; L1713-T1716 PolarHBondContact O-OG1 2.62Å; L1713-V1722 HydrophobicContact CB-CG1 4.16Å; L1713-V1722 HydrophobicContact CD1-CG1 4.37Å; L1713-R1726 HydrophobicContact CD1-CB 4.17Å; L1713-I1727 HydrophobicContact CD1-CB 4.31Å; L1713-I1727 HydrophobicContact CD1-CG1 3.84Å; L1713-L1730 HydrophobicContact CD2-CD1 4.17Å; L1713-L1730 HydrophobicContact CG-CD1 4.31Å
1714	S	64.7	Low	64.4	Low	66 Å²	66	71.6 Å²	71.6	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-55.2	-27.2	178.8	75.6	0	0	0	0	113.4	E1710 A1711 T1716	E1710-S1714 WeakPolarHBondContact O-CB 3.45Å; E1710-S1714 PolarHBondContact O-N 3.09Å; A1711-S1714 PolarHBondContact O-OG 3.05Å; S1714-T1716 PolarHBondContact O-N 3.05Å; S1714-T1716 VanDerWaalsContact O-N 3.16Å
1715	S	55.3	Low	64	Low	60 Å²	60	75.2 Å²	75.2	42%	0.42	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.5	177.7	72.1	0	0	0	0	114.9	A1712 L1713	A1712-S1715 PolarHBondContact O-OG 3.02Å; L1713-S1715 PolarHBondContact O-N 3.16Å
1716	T	53.7	Low	63.8	Low	87 Å²	87	82.1 Å²	82.1	53%	0.534	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-14.2	-171.8	65.3	0	0	0	0	115.7	L1713 S1714	L1713-T1716 PolarHBondContact O-N 2.94Å; L1713-T1716 PolarHBondContact O-OG1 2.62Å; S1714-T1716 PolarHBondContact O-N 3.05Å; S1714-T1716 VanDerWaalsContact O-N 3.16Å
1717	M	51.2	Low	63.5	Low	99 Å²	99	79.2 Å²	79.2	49%	0.488	43%	0.428	S	S	.	.	S	Bend	trans	-142.4	148.2	-174.1	-67.2	-64.8	152.5	0	0	111.7
1718	P	49.4	Very low	63.2	Low	104 Å²	104	78.4 Å²	78.4	68%	0.675	42%	0.422	S	S	*	.			trans	-65.4	150.6	172.7	28.8	-34.7	0	0	0	111.7	N1720 Q1721	P1718-N1720 PolarHBondContact O-N 3.14Å; P1718-Q1721 PolarHBondContact O-N 2.92Å
1719	Q	48.6	Very low	63.2	Low	194 Å²	194	82.9 Å²	82.9	91%	0.907	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-0.2	-160.2	-64.8	175.8	-63	0	0	118.3
1720	N	50.3	Low	63.1	Low	160 Å²	160	85.5 Å²	85.5	86%	0.856	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	4.1	-175.5	-75.8	-10.2	0	0	0	114.9	P1718	P1718-N1720 PolarHBondContact O-N 3.14Å
1721	Q	53.7	Low	63	Low	160 Å²	160	81.5 Å²	81.5	75%	0.748	44%	0.442	S	S	*	.			trans	-142.6	66.1	-179.4	-70.4	-169	-22.2	0	0	113.4	P1718	P1718-Q1721 PolarHBondContact O-N 2.92Å
1722	V	56.9	Low	62.9	Low	48 Å²	48	82.6 Å²	82.6	29%	0.291	45%	0.445	S	S	.	.			trans	-106.1	110.2	166.9	-166.9	0	0	0	0	108.9	L1713 P1724 I1727	L1713-V1722 HydrophobicContact CB-CG1 4.16Å; L1713-V1722 HydrophobicContact CD1-CG1 4.37Å; V1722-P1724 WeakPolarHBondContact O-CD 3.05Å; V1722-I1727 HydrophobicContact CB-CD1 4.47Å; V1722-I1727 HydrophobicContact CG1-CD1 3.71Å; V1722-I1727 HydrophobicContact CG1-CG1 3.68Å
1723	D	66.4	Low	63	Low	89 Å²	89	85 Å²	85	48%	0.476	46%	0.459	S	S	.	.			trans	-63.3	122.4	178.5	-74.8	-55	0	0	0	110.7	V1725 R1726 I1727	D1723-V1725 PolarHBondContact O-N 3.28Å; D1723-V1725 VanDerWaalsContact O-N 3.14Å; D1723-R1726 HydrophobicContact CB-CB 4.06Å; D1723-R1726 HydrophobicContact CB-CG 4.27Å; D1723-R1726 WeakPolarHBondContact O-CA 3.09Å; D1723-R1726 WeakPolarHBondContact O-CB 3.38Å; D1723-R1726 PolarHBondContact O-N 3.11Å; D1723-R1726 IonicContact OD2-NH1 3.91Å; D1723-I1727 PolarHBondContact O-N 3.09Å; D1723-I1727 VanDerWaalsContact O-N 3.15Å
1724	P	67.4	Low	62.9	Low	79 Å²	79	85 Å²	85	51%	0.513	46%	0.459	S	S	.	.	H	α-helix	trans	-63.3	-24.7	178	25.2	-33.8	0	0	0	112.2	V1722 I1727 R1728	V1722-P1724 WeakPolarHBondContact O-CD 3.05Å; P1724-I1727 PolarHBondContact O-N 2.74Å; P1724-R1728 WeakPolarHBondContact O-CB 3.29Å; P1724-R1728 PolarHBondContact O-N 3.39Å
1725	V	69.7	Low	63	Low	98 Å²	98	82 Å²	82	59%	0.594	44%	0.438	S	S	*	.	H	α-helix	trans	-65.9	-36.8	171.4	-177.3	0	0	0	0	111.5	D1723 N1729	D1723-V1725 PolarHBondContact O-N 3.28Å; D1723-V1725 VanDerWaalsContact O-N 3.14Å; V1725-N1729 VanDerWaalsContact O-CB 3.3Å; V1725-N1729 WeakPolarHBondContact O-CB 3.33Å; V1725-N1729 PolarHBondContact O-N 2.7Å; V1725-N1729 PolarHBondContact O-ND2 2.75Å
1726	R	70.5	Confident	63.5	Low	151 Å²	151	82.7 Å²	82.7	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-70.2	-42.7	174.3	-90.4	176.2	159.4	157.4	-8.3	111.7	L1713 D1723 R1728 N1729 L1730	L1713-R1726 HydrophobicContact CD1-CB 4.17Å; D1723-R1726 HydrophobicContact CB-CB 4.06Å; D1723-R1726 HydrophobicContact CB-CG 4.27Å; D1723-R1726 WeakPolarHBondContact O-CA 3.09Å; D1723-R1726 WeakPolarHBondContact O-CB 3.38Å; D1723-R1726 PolarHBondContact O-N 3.11Å; D1723-R1726 IonicContact OD2-NH1 3.91Å; R1726-R1728 VanDerWaalsContact C-N 3.34Å; R1726-N1729 PolarHBondContact O-N 3.38Å; R1726-L1730 VanDerWaalsContact O-CB 3.3Å; R1726-L1730 WeakPolarHBondContact O-CB 3.47Å; R1726-L1730 PolarHBondContact O-N 3.45Å
1727	I	72.6	Confident	64	Low	8 Å²	8	84.8 Å²	84.8	4%	0.041	44%	0.439	C	S	.	.	H	α-helix	trans	-58.8	-49.8	175.6	-51.7	172.8	0	0	0	109.3	Y1706 A1709 E1710 L1713 V1722 D1723 P1724 N1729 L1730 A1731	Y1706-I1727 HydrophobicContact CD1-CG2 3.75Å; Y1706-I1727 HydrophobicContact CD2-CB 4.49Å; Y1706-I1727 HydrophobicContact CD2-CG2 3.72Å; Y1706-I1727 HydrophobicContact CE1-CB 4.26Å; Y1706-I1727 HydrophobicContact CE1-CD1 3.91Å; Y1706-I1727 HydrophobicContact CE1-CG2 3.64Å; Y1706-I1727 HydrophobicContact CE2-CB 3.92Å; Y1706-I1727 HydrophobicContact CE2-CG2 3.61Å; Y1706-I1727 HydrophobicContact CG-CG2 3.79Å; A1709-I1727 HydrophobicContact CB-CG2 3.66Å; E1710-I1727 HydrophobicContact CB-CD1 4.35Å; E1710-I1727 HydrophobicContact CB-CG2 4.38Å; E1710-I1727 HydrophobicContact CG-CD1 4.37Å; L1713-I1727 HydrophobicContact CD1-CB 4.31Å; L1713-I1727 HydrophobicContact CD1-CG1 3.84Å; V1722-I1727 HydrophobicContact CB-CD1 4.47Å; V1722-I1727 HydrophobicContact CG1-CD1 3.71Å; V1722-I1727 HydrophobicContact CG1-CG1 3.68Å; D1723-I1727 PolarHBondContact O-N 3.09Å; D1723-I1727 VanDerWaalsContact O-N 3.15Å; P1724-I1727 PolarHBondContact O-N 2.74Å; I1727-N1729 PolarHBondContact O-N 2.98Å; I1727-L1730 PolarHBondContact O-N 3.4Å; I1727-A1731 WeakPolarHBondContact O-CB 3.38Å; I1727-A1731 PolarHBondContact O-N 3.34Å
1728	R	68.5	Low	64.6	Low	65 Å²	65	81.2 Å²	81.2	25%	0.245	42%	0.422	C	S	.	.	H	α-helix	trans	-59.1	-47.3	177.9	-166	175.7	-160.1	154.2	15.4	112.8	Y1546 H1569 E1702 P1724 R1726 L1730 A1731 I1732	Y1546-R1728 PolarHBondContact OH-NH2 3.21Å; H1569-R1728 PolarHBondContact NE2-NE 3.25Å; H1569-R1728 VanDerWaalsContact NE2-NE 3.13Å; H1569-R1728 PolarHBondContact NE2-NH2 3.48Å; E1702-R1728 IonicContact OE1-NH2 3.08Å; P1724-R1728 WeakPolarHBondContact O-CB 3.29Å; P1724-R1728 PolarHBondContact O-N 3.39Å; R1726-R1728 VanDerWaalsContact C-N 3.34Å; R1728-L1730 VanDerWaalsContact C-N 3.29Å; R1728-L1730 PolarHBondContact O-N 2.82Å; R1728-A1731 PolarHBondContact O-N 3.05Å; R1728-I1732 HydrophobicContact CG-CD1 4.02Å; R1728-I1732 WeakPolarHBondContact O-CB 3.43Å; R1728-I1732 WeakPolarHBondContact O-CD1 3.47Å; R1728-I1732 VanDerWaalsContact O-CG1 3.24Å; R1728-I1732 WeakPolarHBondContact O-CG1 3.28Å; R1728-I1732 PolarHBondContact O-N 2.71Å
1729	N	73.2	Confident	65.1	Low	97 Å²	97	80.5 Å²	80.5	52%	0.519	41%	0.411	S	S	.	.	H	α-helix	trans	-64.7	-33.9	178.5	-72.2	-10.2	0	0	0	112.4	V1725 R1726 I1727 C1733	V1725-N1729 VanDerWaalsContact O-CB 3.3Å; V1725-N1729 WeakPolarHBondContact O-CB 3.33Å; V1725-N1729 PolarHBondContact O-N 2.7Å; V1725-N1729 PolarHBondContact O-ND2 2.75Å; R1726-N1729 PolarHBondContact O-N 3.38Å; I1727-N1729 PolarHBondContact O-N 2.98Å; N1729-C1733 WeakPolarHBondContact O-CB 3.32Å; N1729-C1733 PolarHBondContact O-N 3.39Å
1730	L	72	Confident	65.5	Low	56 Å²	56	78.9 Å²	78.9	29%	0.293	40%	0.403	S	S	.	.	H	α-helix	trans	-75.7	-38.4	177.5	-164.7	137.6	0	0	0	111.7	A1709 A1712 L1713 R1726 I1727 R1728 C1733 L1734	A1709-L1730 HydrophobicContact CB-CB 4.25Å; A1709-L1730 HydrophobicContact CB-CD2 3.58Å; A1712-L1730 HydrophobicContact CB-CD2 4.46Å; L1713-L1730 HydrophobicContact CD2-CD1 4.17Å; L1713-L1730 HydrophobicContact CG-CD1 4.31Å; R1726-L1730 VanDerWaalsContact O-CB 3.3Å; R1726-L1730 WeakPolarHBondContact O-CB 3.47Å; R1726-L1730 PolarHBondContact O-N 3.45Å; I1727-L1730 PolarHBondContact O-N 3.4Å; R1728-L1730 VanDerWaalsContact C-N 3.29Å; R1728-L1730 PolarHBondContact O-N 2.82Å; L1730-C1733 WeakPolarHBondContact O-CB 3.41Å; L1730-C1733 PolarHBondContact O-N 2.96Å; L1730-C1733 VanDerWaalsContact O-N 3.16Å; L1730-L1734 HydrophobicContact CD2-CD1 3.67Å; L1730-L1734 HydrophobicContact CD2-CG 4.1Å; L1730-L1734 WeakPolarHBondContact O-CG 3.38Å; L1730-L1734 PolarHBondContact O-N 3.01Å
1731	A	71.9	Confident	65.8	Low	11 Å²	11	74.7 Å²	74.7	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-60.6	-43	170.7	0	0	0	0	0	112.1	L1705 A1709 I1727 R1728 C1733 L1734 S1735	L1705-A1731 HydrophobicContact CB-CB 4.3Å; A1709-A1731 HydrophobicContact CB-CB 4.14Å; I1727-A1731 WeakPolarHBondContact O-CB 3.38Å; I1727-A1731 PolarHBondContact O-N 3.34Å; R1728-A1731 PolarHBondContact O-N 3.05Å; A1731-C1733 VanDerWaalsContact C-N 3.31Å; A1731-C1733 PolarHBondContact O-N 2.91Å; A1731-L1734 PolarHBondContact O-N 2.8Å; A1731-S1735 PolarHBondContact O-N 3Å; A1731-S1735 PolarHBondContact O-OG 2.71Å
1732	I	67.3	Low	65.9	Low	42 Å²	42	68.7 Å²	68.7	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-36.9	172.9	-68.1	165.4	0	0	0	111.4	R1728 S1735 N1736	R1728-I1732 HydrophobicContact CG-CD1 4.02Å; R1728-I1732 WeakPolarHBondContact O-CB 3.43Å; R1728-I1732 WeakPolarHBondContact O-CD1 3.47Å; R1728-I1732 VanDerWaalsContact O-CG1 3.24Å; R1728-I1732 WeakPolarHBondContact O-CG1 3.28Å; R1728-I1732 PolarHBondContact O-N 2.71Å; I1732-S1735 PolarHBondContact O-OG 3.08Å; I1732-N1736 WeakPolarHBondContact O-CB 3.37Å; I1732-N1736 PolarHBondContact O-N 3.1Å; I1732-N1736 PolarHBondContact O-ND2 2.94Å
1733	C	69.6	Low	65.6	Low	80 Å²	80	69.5 Å²	69.5	54%	0.541	38%	0.377	S	S	.	.	H	α-helix	trans	-68.6	-41	175.3	-170.7	0	0	0	0	111.8	N1729 L1730 A1731 K1737	N1729-C1733 WeakPolarHBondContact O-CB 3.32Å; N1729-C1733 PolarHBondContact O-N 3.39Å; L1730-C1733 WeakPolarHBondContact O-CB 3.41Å; L1730-C1733 PolarHBondContact O-N 2.96Å; L1730-C1733 VanDerWaalsContact O-N 3.16Å; A1731-C1733 VanDerWaalsContact C-N 3.31Å; A1731-C1733 PolarHBondContact O-N 2.91Å; C1733-K1737 VanDerWaalsContact O-CB 3.25Å; C1733-K1737 WeakPolarHBondContact O-CB 3.23Å; C1733-K1737 PolarHBondContact O-N 2.8Å; C1733-K1737 VanDerWaalsContact O-N 3.07Å
1734	L	68.1	Low	64.8	Low	30 Å²	30	76.2 Å²	76.2	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-63.4	-48.4	176.5	-73.1	171.5	0	0	0	111.7	L1705 V1708 A1709 L1730 A1731 K1737 L1738	L1705-L1734 HydrophobicContact CD2-CB 4.25Å; V1708-L1734 HydrophobicContact CB-CD1 4.3Å; V1708-L1734 HydrophobicContact CG1-CD1 3.7Å; A1709-L1734 HydrophobicContact CB-CD1 4.45Å; L1730-L1734 HydrophobicContact CD2-CD1 3.67Å; L1730-L1734 HydrophobicContact CD2-CG 4.1Å; L1730-L1734 WeakPolarHBondContact O-CG 3.38Å; L1730-L1734 PolarHBondContact O-N 3.01Å; A1731-L1734 PolarHBondContact O-N 2.8Å; L1734-K1737 PolarHBondContact O-N 2.84Å; L1734-L1738 WeakPolarHBondContact O-CG 3.32Å; L1734-L1738 PolarHBondContact O-N 2.9Å
1735	S	67.8	Low	64	Low	3 Å²	3	80.1 Å²	80.1	2%	0.021	40%	0.404	C	S	.	.	H	α-helix	trans	-61.1	-51	179.5	65.8	0	0	0	0	111.6	A1731 I1732 K1737 L1738 I1739	A1731-S1735 PolarHBondContact O-N 3Å; A1731-S1735 PolarHBondContact O-OG 2.71Å; I1732-S1735 PolarHBondContact O-OG 3.08Å; S1735-K1737 PolarHBondContact O-N 3.41Å; S1735-L1738 PolarHBondContact O-N 3.45Å; S1735-L1738 VanDerWaalsContact O-N 3.11Å; S1735-I1739 WeakPolarHBondContact O-CG1 3.27Å; S1735-I1739 PolarHBondContact O-N 3.48Å; S1735-I1739 VanDerWaalsContact O-N 3.1Å
1736	N	64.7	Low	63.1	Low	76 Å²	76	87.4 Å²	87.4	41%	0.406	42%	0.421	S	S	.	.	H	α-helix	trans	-57.7	-33.4	176.5	-78.6	-70.6	0	0	0	113.2	I1732 Q1740	I1732-N1736 WeakPolarHBondContact O-CB 3.37Å; I1732-N1736 PolarHBondContact O-N 3.1Å; I1732-N1736 PolarHBondContact O-ND2 2.94Å; N1736-Q1740 WeakPolarHBondContact O-CG 3.4Å; N1736-Q1740 PolarHBondContact O-N 3.4Å
1737	K	64.8	Low	62.4	Low	131 Å²	131	82.4 Å²	82.4	57%	0.57	41%	0.406	S	S	*	.	H	α-helix	trans	-76.4	-34.5	178	-165.8	170.3	-172.5	174.1	0	112.9	C1733 L1734 S1735 Q1740 T1741	C1733-K1737 VanDerWaalsContact O-CB 3.25Å; C1733-K1737 WeakPolarHBondContact O-CB 3.23Å; C1733-K1737 PolarHBondContact O-N 2.8Å; C1733-K1737 VanDerWaalsContact O-N 3.07Å; L1734-K1737 PolarHBondContact O-N 2.84Å; S1735-K1737 PolarHBondContact O-N 3.41Å; K1737-Q1740 PolarHBondContact O-N 3.06Å; K1737-T1741 PolarHBondContact O-N 2.98Å; K1737-T1741 VanDerWaalsContact O-N 3.16Å; K1737-T1741 PolarHBondContact O-OG1 3.17Å
1738	L	64	Low	61.7	Low	24 Å²	24	86.8 Å²	86.8	13%	0.126	44%	0.443	C	S	.	.	H	α-helix	trans	-64.2	-39.7	173.2	-73.5	164.4	0	0	0	111.3	L1573 L1705 L1734 S1735 Q1740 G1742 L1766	L1573-L1738 HydrophobicContact CD1-CB 4.44Å; L1573-L1738 HydrophobicContact CD1-CD1 4Å; L1573-L1738 HydrophobicContact CD2-CB 4.24Å; L1573-L1738 HydrophobicContact CD2-CD1 4.49Å; L1705-L1738 HydrophobicContact CD2-CD1 4.07Å; L1734-L1738 WeakPolarHBondContact O-CG 3.32Å; L1734-L1738 PolarHBondContact O-N 2.9Å; S1735-L1738 PolarHBondContact O-N 3.45Å; S1735-L1738 VanDerWaalsContact O-N 3.11Å; L1738-Q1740 PolarHBondContact O-N 3.24Å; L1738-G1742 WeakPolarHBondContact O-CA 3.11Å; L1738-G1742 PolarHBondContact O-N 2.95Å; L1738-L1766 HydrophobicContact CD1-CD2 4.32Å
1739	I	58.3	Low	61.1	Low	89 Å²	89	87 Å²	87	46%	0.456	45%	0.448	S	S	.	.	H	α-helix	trans	-54.2	-53.4	170.4	-54.8	167.3	0	0	0	110.6	G1571 S1735 T1741	G1571-I1739 VanDerWaalsContact C-CD1 3.45Å; G1571-I1739 VanDerWaalsContact C-CG1 3.41Å; G1571-I1739 WeakPolarHBondContact O-CG1 3.4Å; S1735-I1739 WeakPolarHBondContact O-CG1 3.27Å; S1735-I1739 PolarHBondContact O-N 3.48Å; S1735-I1739 VanDerWaalsContact O-N 3.1Å; I1739-T1741 VanDerWaalsContact C-N 3.29Å; I1739-T1741 PolarHBondContact O-N 2.79Å
1740	Q	58.8	Low	60.4	Low	159 Å²	159	83.4 Å²	83.4	74%	0.743	43%	0.43	S	S	*	.	H	α-helix	trans	-73.5	-16.2	-169.1	-71	176.2	0.5	0	0	114.3	N1736 K1737 L1738	N1736-Q1740 WeakPolarHBondContact O-CG 3.4Å; N1736-Q1740 PolarHBondContact O-N 3.4Å; K1737-Q1740 PolarHBondContact O-N 3.06Å; L1738-Q1740 PolarHBondContact O-N 3.24Å
1741	T	56.2	Low	59.6	Low	72 Å²	72	90.4 Å²	90.4	44%	0.442	46%	0.458	S	S	.	.	H	α-helix	trans	-124.4	-8.9	-174.4	58.5	0	0	0	0	114.8	K1737 I1739	K1737-T1741 PolarHBondContact O-N 2.98Å; K1737-T1741 VanDerWaalsContact O-N 3.16Å; K1737-T1741 PolarHBondContact O-OG1 3.17Å; I1739-T1741 VanDerWaalsContact C-N 3.29Å; I1739-T1741 PolarHBondContact O-N 2.79Å
1742	G	54.5	Low	59	Low	35 Å²	35	94 Å²	94	36%	0.361	48%	0.476	S	S	.	.			trans	71.7	160.5	-178.2	0	0	0	0	0	113.6	L1738 R1744	L1738-G1742 WeakPolarHBondContact O-CA 3.11Å; L1738-G1742 PolarHBondContact O-N 2.95Å; G1742-R1744 PolarHBondContact O-N 2.97Å
1743	A	52.5	Low	59	Low	65 Å²	65	95.9 Å²	95.9	54%	0.537	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.8	-174.5	0	0	0	0	0	115.3
1744	R	47.9	Very low	58.3	Low	229 Å²	229	102.6 Å²	102.6	86%	0.864	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	4.2	-168.3	-67.9	-173.3	173.1	-164.9	-3.5	116.1	G1742	G1742-R1744 PolarHBondContact O-N 2.97Å
1745	K	50.7	Low	57.6	Low	161 Å²	161	101.8 Å²	101.8	70%	0.7	50%	0.503	S	S	*	.	S	Bend	trans	-114.1	128.3	179.6	-74	-176.7	177.8	175.4	0	112.5	I1747	K1745-I1747 PolarHBondContact O-N 2.69Å
1746	R	51	Low	57.5	Low	251 Å²	251	105 Å²	105	95%	0.947	52%	0.515	S	S	*	.			trans	-58.6	125.1	-168.6	-62.3	-178.7	-177.2	179.6	1.4	112.7
1747	I	56.9	Low	57.5	Low	47 Å²	47	106 Å²	106	24%	0.241	52%	0.517	C	S	.	.			trans	-61.1	137.7	166.8	-66.4	170.7	0	0	0	109.2	K1745 L1749 V1763	K1745-I1747 PolarHBondContact O-N 2.69Å; I1747-L1749 PolarHBondContact O-N 2.95Å; I1747-L1749 VanDerWaalsContact O-N 3.14Å; I1747-V1763 HydrophobicContact CD1-CG1 4.02Å; I1747-V1763 HydrophobicContact CD1-CG2 3.75Å
1748	A	56.2	Low	57.1	Low	99 Å²	99	101.9 Å²	101.9	82%	0.818	51%	0.508	S	S	*	.			trans	-71.6	107	-178.9	0	0	0	0	0	110.7
1749	L	57.6	Low	57.1	Low	70 Å²	70	101 Å²	101	37%	0.366	50%	0.503	S	S	.	.			trans	-72.9	149	-174.2	-67.4	168.6	0	0	0	113.1	I1747 R1756 T1759 R1760	I1747-L1749 PolarHBondContact O-N 2.95Å; I1747-L1749 VanDerWaalsContact O-N 3.14Å; L1749-R1756 HydrophobicContact CB-CG 4.05Å; L1749-R1756 HydrophobicContact CD1-CG 4.11Å; L1749-T1759 HydrophobicContact CD2-CG2 4.04Å; L1749-R1760 HydrophobicContact CD1-CG 3.82Å; L1749-R1760 HydrophobicContact CD2-CG 3.87Å
1750	P	57.2	Low	57.5	Low	22 Å²	22	101.3 Å²	101.3	14%	0.143	50%	0.498	C	S	.	.			trans	-54	154.4	169.5	-27.4	35.1	0	0	0	114	A1755 R1756	P1750-A1755 HydrophobicContact CB-CB 3.93Å; P1750-A1755 HydrophobicContact CG-CB 4.21Å; P1750-R1756 WeakPolarHBondContact O-CB 3.22Å; P1750-R1756 WeakPolarHBondContact O-CD 3.4Å; P1750-R1756 PolarHBondContact O-NE 3.31Å
1751	K	55.9	Low	57.9	Low	202 Å²	202	97 Å²	97	88%	0.878	48%	0.483	S	S	*	.	S	Bend	trans	-71.3	-44.3	176.5	-68.2	-175.9	178.5	-179.3	0	112	R1756	K1751-R1756 PolarHBondContact O-NH2 3.03Å
1752	D	59.7	Low	58.3	Low	86 Å²	86	94.9 Å²	94.9	46%	0.46	47%	0.47	S	S	.	.	S	Bend	trans	-60	128	179.9	-174.3	-48.7	0	0	0	110.8	R1754 A1755 R1756	D1752-R1754 VanDerWaalsContact C-N 3.33Å; D1752-R1754 PolarHBondContact O-N 2.83Å; D1752-R1754 PolarHBondContact OD1-N 2.74Å; D1752-A1755 HydrophobicContact CB-CB 4.21Å; D1752-R1756 WeakPolarHBondContact O-CB 3.44Å; D1752-R1756 PolarHBondContact O-N 3.18Å
1753	P	66.3	Low	58.9	Low	82 Å²	82	94.5 Å²	94.5	53%	0.532	46%	0.461	S	S	.	.	H	α-helix	trans	-60.1	-34.1	-179.1	24.9	-34.2	0	0	0	114.6	E1757	P1753-E1757 PolarHBondContact O-N 2.95Å
1754	R	54.2	Low	59.7	Low	221 Å²	221	96.2 Å²	96.2	83%	0.834	46%	0.458	S	S	*	.	H	α-helix	trans	-72.5	-48.9	-179.8	-72.3	-175.4	174.1	-173.5	-1.8	111.4	D1752 R1756 E1757 A1758	D1752-R1754 VanDerWaalsContact C-N 3.33Å; D1752-R1754 PolarHBondContact O-N 2.83Å; D1752-R1754 PolarHBondContact OD1-N 2.74Å; R1754-R1756 VanDerWaalsContact C-N 3.29Å; R1754-R1756 PolarHBondContact O-N 3.27Å; R1754-E1757 PolarHBondContact O-N 2.98Å; R1754-A1758 PolarHBondContact O-N 3.46Å; R1754-A1758 VanDerWaalsContact O-N 3.08Å
1755	A	55	Low	60.6	Low	14 Å²	14	89.4 Å²	89.4	12%	0.116	44%	0.438	C	S	.	.	H	α-helix	trans	-62	-40.2	175.9	0	0	0	0	0	111	P1750 D1752 E1757 A1758 T1759	P1750-A1755 HydrophobicContact CB-CB 3.93Å; P1750-A1755 HydrophobicContact CG-CB 4.21Å; D1752-A1755 HydrophobicContact CB-CB 4.21Å; A1755-E1757 PolarHBondContact O-N 3.47Å; A1755-A1758 PolarHBondContact O-N 2.62Å; A1755-T1759 WeakPolarHBondContact O-CB 3.32Å; A1755-T1759 PolarHBondContact O-N 3.41Å; A1755-T1759 PolarHBondContact O-OG1 3.21Å
1756	R	64.7	Low	61.4	Low	70 Å²	70	82.1 Å²	82.1	26%	0.264	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-40.2	176	172.5	153.7	36.6	79.7	-3.3	113.7	L1749 P1750 K1751 D1752 R1754 R1760	L1749-R1756 HydrophobicContact CB-CG 4.05Å; L1749-R1756 HydrophobicContact CD1-CG 4.11Å; P1750-R1756 WeakPolarHBondContact O-CB 3.22Å; P1750-R1756 WeakPolarHBondContact O-CD 3.4Å; P1750-R1756 PolarHBondContact O-NE 3.31Å; K1751-R1756 PolarHBondContact O-NH2 3.03Å; D1752-R1756 WeakPolarHBondContact O-CB 3.44Å; D1752-R1756 PolarHBondContact O-N 3.18Å; R1754-R1756 VanDerWaalsContact C-N 3.29Å; R1754-R1756 PolarHBondContact O-N 3.27Å; R1756-R1760 WeakPolarHBondContact O-CB 3.24Å; R1756-R1760 VanDerWaalsContact O-CG 3.26Å; R1756-R1760 WeakPolarHBondContact O-CG 3.24Å; R1756-R1760 PolarHBondContact O-N 3.1Å
1757	E	65.1	Low	62.2	Low	96 Å²	96	74.4 Å²	74.4	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-73	-39.3	177.9	-142	65.1	-176.5	0	0	111.9	P1753 R1754 A1755 R1760 T1761	P1753-E1757 PolarHBondContact O-N 2.95Å; R1754-E1757 PolarHBondContact O-N 2.98Å; A1755-E1757 PolarHBondContact O-N 3.47Å; E1757-R1760 WeakPolarHBondContact O-CB 3.16Å; E1757-R1760 PolarHBondContact O-N 3.42Å; E1757-R1760 IonicContact OE1-NH1 3.61Å; E1757-R1760 VanDerWaalsContact OE2-CD 3.25Å; E1757-R1760 WeakPolarHBondContact OE2-CD 3.43Å; E1757-R1760 IonicContact OE2-CZ 3.63Å; E1757-R1760 IonicContact OE2-NE 3.84Å; E1757-R1760 IonicContact OE2-NH1 2.67Å; E1757-R1760 PolarHBondContact OE2-NH1 3.03Å; E1757-T1761 PolarHBondContact O-N 3.05Å; E1757-T1761 PolarHBondContact O-OG1 2.94Å
1758	A	57.2	Low	62.8	Low	46 Å²	46	77.6 Å²	77.6	38%	0.38	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-48	170.9	0	0	0	0	0	111.6	R1754 A1755 R1760 T1761 V1762	R1754-A1758 PolarHBondContact O-N 3.46Å; R1754-A1758 VanDerWaalsContact O-N 3.08Å; A1755-A1758 PolarHBondContact O-N 2.62Å; A1758-R1760 VanDerWaalsContact C-N 3.34Å; A1758-R1760 PolarHBondContact O-N 3.24Å; A1758-T1761 PolarHBondContact O-N 3.28Å; A1758-V1762 WeakPolarHBondContact O-CG2 3.49Å; A1758-V1762 PolarHBondContact O-N 3.08Å
1759	T	62.3	Low	63.3	Low	4 Å²	4	75.2 Å²	75.2	3%	0.025	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-36.5	176.8	-48.4	0	0	0	0	112	L1749 A1755 V1763	L1749-T1759 HydrophobicContact CD2-CG2 4.04Å; A1755-T1759 WeakPolarHBondContact O-CB 3.32Å; A1755-T1759 PolarHBondContact O-N 3.41Å; A1755-T1759 PolarHBondContact O-OG1 3.21Å; T1759-V1763 HydrophobicContact CG2-CG2 4.21Å; T1759-V1763 VanDerWaalsContact O-CB 3.22Å; T1759-V1763 WeakPolarHBondContact O-CB 3.24Å; T1759-V1763 WeakPolarHBondContact O-CG2 3.36Å; T1759-V1763 PolarHBondContact O-N 3.19Å
1760	R	68.1	Low	63.6	Low	96 Å²	96	72.3 Å²	72.3	36%	0.362	35%	0.354	S	S	.	.	H	α-helix	trans	-59.7	-51.6	171.7	-81	163.6	169	178.5	-11.7	111.3	L1749 R1756 E1757 A1758 V1762 V1763 Q1764	L1749-R1760 HydrophobicContact CD1-CG 3.82Å; L1749-R1760 HydrophobicContact CD2-CG 3.87Å; R1756-R1760 WeakPolarHBondContact O-CB 3.24Å; R1756-R1760 VanDerWaalsContact O-CG 3.26Å; R1756-R1760 WeakPolarHBondContact O-CG 3.24Å; R1756-R1760 PolarHBondContact O-N 3.1Å; E1757-R1760 WeakPolarHBondContact O-CB 3.16Å; E1757-R1760 PolarHBondContact O-N 3.42Å; E1757-R1760 IonicContact OE1-NH1 3.61Å; E1757-R1760 VanDerWaalsContact OE2-CD 3.25Å; E1757-R1760 WeakPolarHBondContact OE2-CD 3.43Å; E1757-R1760 IonicContact OE2-CZ 3.63Å; E1757-R1760 IonicContact OE2-NE 3.84Å; E1757-R1760 IonicContact OE2-NH1 2.67Å; E1757-R1760 PolarHBondContact OE2-NH1 3.03Å; A1758-R1760 VanDerWaalsContact C-N 3.34Å; A1758-R1760 PolarHBondContact O-N 3.24Å; R1760-V1762 PolarHBondContact O-N 3.38Å; R1760-V1763 CarbonylContact O-C 3.57Å; R1760-V1763 PolarHBondContact O-N 2.65Å; R1760-Q1764 WeakPolarHBondContact O-CB 3.2Å; R1760-Q1764 WeakPolarHBondContact O-CG 3.4Å; R1760-Q1764 PolarHBondContact O-N 2.75Å; R1760-Q1764 PolarHBondContact O-OE1 2.79Å
1761	T	67.4	Low	63.9	Low	68 Å²	68	76.6 Å²	76.6	42%	0.417	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-49.9	-178	-48.8	0	0	0	0	110.8	E1757 A1758 V1763 Q1764 N1765	E1757-T1761 PolarHBondContact O-N 3.05Å; E1757-T1761 PolarHBondContact O-OG1 2.94Å; A1758-T1761 PolarHBondContact O-N 3.28Å; T1761-V1763 VanDerWaalsContact C-N 3.35Å; T1761-V1763 PolarHBondContact O-N 3.13Å; T1761-Q1764 PolarHBondContact O-N 3.07Å; T1761-N1765 PolarHBondContact O-N 3.03Å; T1761-N1765 PolarHBondContact O-OD1 3.47Å
1762	V	63.4	Low	64.3	Low	28 Å²	28	72.5 Å²	72.5	17%	0.17	36%	0.359	C	S	.	.	H	α-helix	trans	-68.2	-33	179.6	-171.5	0	0	0	0	112	E1707 V1708 A1758 R1760 L1766	E1707-V1762 HydrophobicContact CB-CG1 4.27Å; V1708-V1762 HydrophobicContact CG2-CB 4.17Å; V1708-V1762 HydrophobicContact CG2-CG1 3.47Å; V1708-V1762 VanDerWaalsContact CG2-CG1 3.47Å; A1758-V1762 WeakPolarHBondContact O-CG2 3.49Å; A1758-V1762 PolarHBondContact O-N 3.08Å; R1760-V1762 PolarHBondContact O-N 3.38Å; V1762-L1766 WeakPolarHBondContact O-CB 3.48Å; V1762-L1766 PolarHBondContact O-N 3.28Å
1763	V	67.4	Low	64.1	Low	28 Å²	28	69.3 Å²	69.3	17%	0.17	34%	0.342	C	S	.	.	H	α-helix	trans	-71.5	-33	174.2	168.5	0	0	0	0	112.4	V1708 I1747 T1759 R1760 T1761 Q1767	V1708-V1763 HydrophobicContact CG1-CG2 4.42Å; V1708-V1763 HydrophobicContact CG2-CG2 4.41Å; I1747-V1763 HydrophobicContact CD1-CG1 4.02Å; I1747-V1763 HydrophobicContact CD1-CG2 3.75Å; T1759-V1763 HydrophobicContact CG2-CG2 4.21Å; T1759-V1763 VanDerWaalsContact O-CB 3.22Å; T1759-V1763 WeakPolarHBondContact O-CB 3.24Å; T1759-V1763 WeakPolarHBondContact O-CG2 3.36Å; T1759-V1763 PolarHBondContact O-N 3.19Å; R1760-V1763 CarbonylContact O-C 3.57Å; R1760-V1763 PolarHBondContact O-N 2.65Å; T1761-V1763 VanDerWaalsContact C-N 3.35Å; T1761-V1763 PolarHBondContact O-N 3.13Å; V1763-Q1767 WeakPolarHBondContact O-CB 3.27Å; V1763-Q1767 PolarHBondContact O-N 3.36Å
1764	Q	68.9	Low	63.7	Low	101 Å²	101	70.7 Å²	70.7	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-67.5	-47.9	171.5	-73.3	173.3	-95.7	0	0	110.3	R1760 T1761 L1766 Q1767 E1768	R1760-Q1764 WeakPolarHBondContact O-CB 3.2Å; R1760-Q1764 WeakPolarHBondContact O-CG 3.4Å; R1760-Q1764 PolarHBondContact O-N 2.75Å; R1760-Q1764 PolarHBondContact O-OE1 2.79Å; T1761-Q1764 PolarHBondContact O-N 3.07Å; Q1764-L1766 VanDerWaalsContact C-N 3.29Å; Q1764-L1766 PolarHBondContact O-N 2.82Å; Q1764-Q1767 CarbonylContact O-C 3.6Å; Q1764-Q1767 WeakPolarHBondContact O-CA 3.34Å; Q1764-Q1767 PolarHBondContact O-N 2.93Å; Q1764-E1768 WeakPolarHBondContact O-CB 3.43Å; Q1764-E1768 WeakPolarHBondContact O-CG 3.47Å; Q1764-E1768 PolarHBondContact O-N 3.45Å
1765	N	68.1	Low	63.7	Low	86 Å²	86	63 Å²	63	46%	0.46	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-39.6	174.5	-63.3	8.2	0	0	0	112.1	T1761 L1769	T1761-N1765 PolarHBondContact O-N 3.03Å; T1761-N1765 PolarHBondContact O-OD1 3.47Å; N1765-L1769 VanDerWaalsContact O-CB 3.25Å; N1765-L1769 WeakPolarHBondContact O-CB 3.28Å; N1765-L1769 PolarHBondContact O-N 3.19Å
1766	L	67.5	Low	63.5	Low	7 Å²	7	67.1 Å²	67.1	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-41.7	173.8	-173.6	88.5	0	0	0	111.3	T1704 L1738 V1762 Q1764 L1770	T1704-L1766 WeakPolarHBondContact OG1-CD1 3.4Å; L1738-L1766 HydrophobicContact CD1-CD2 4.32Å; V1762-L1766 WeakPolarHBondContact O-CB 3.48Å; V1762-L1766 PolarHBondContact O-N 3.28Å; Q1764-L1766 VanDerWaalsContact C-N 3.29Å; Q1764-L1766 PolarHBondContact O-N 2.82Å; L1766-L1770 HydrophobicContact CD2-CD1 4.34Å; L1766-L1770 HydrophobicContact CG-CD1 4.03Å; L1766-L1770 WeakPolarHBondContact O-CB 3.4Å; L1766-L1770 WeakPolarHBondContact O-CD1 3.39Å; L1766-L1770 WeakPolarHBondContact O-CG 3.28Å; L1766-L1770 PolarHBondContact O-N 2.93Å
1767	Q	67.8	Low	62.5	Low	90 Å²	90	67.1 Å²	67.1	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-67.5	-43.9	178.1	-175.6	177.9	-19.4	0	0	111.4	V1763 Q1764 L1770 E1771	V1763-Q1767 WeakPolarHBondContact O-CB 3.27Å; V1763-Q1767 PolarHBondContact O-N 3.36Å; Q1764-Q1767 CarbonylContact O-C 3.6Å; Q1764-Q1767 WeakPolarHBondContact O-CA 3.34Å; Q1764-Q1767 PolarHBondContact O-N 2.93Å; Q1767-L1770 PolarHBondContact O-N 3.47Å; Q1767-E1771 HydrophobicContact CG-CG 4.37Å; Q1767-E1771 WeakPolarHBondContact CG-OE1 3.45Å; Q1767-E1771 PolarHBondContact NE2-OE1 3.21Å; Q1767-E1771 WeakPolarHBondContact O-CB 2.95Å; Q1767-E1771 WeakPolarHBondContact O-CG 3.31Å; Q1767-E1771 PolarHBondContact O-N 3.47Å
1768	E	68.3	Low	61.5	Low	113 Å²	113	63.3 Å²	63.3	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-47.4	175.4	-71.8	170.6	-168	0	0	111	Q1764 L1770 E1771 D1772	Q1764-E1768 WeakPolarHBondContact O-CB 3.43Å; Q1764-E1768 WeakPolarHBondContact O-CG 3.47Å; Q1764-E1768 PolarHBondContact O-N 3.45Å; E1768-L1770 VanDerWaalsContact C-N 3.33Å; E1768-L1770 PolarHBondContact O-N 3.15Å; E1768-E1771 PolarHBondContact O-N 3.39Å; E1768-D1772 WeakPolarHBondContact O-CB 3.34Å; E1768-D1772 PolarHBondContact O-N 3.3Å
1769	L	67.2	Low	60.8	Low	49 Å²	49	63.1 Å²	63.1	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-43.1	174.7	-173.9	90.7	0	0	0	112.3	I1700 V1701 N1765 M1773	I1700-L1769 HydrophobicContact CG2-CD1 3.91Å; I1700-L1769 HydrophobicContact CG2-CD2 3.74Å; I1700-L1769 HydrophobicContact CG2-CG 4.5Å; V1701-L1769 HydrophobicContact CG2-CD2 4.08Å; N1765-L1769 VanDerWaalsContact O-CB 3.25Å; N1765-L1769 WeakPolarHBondContact O-CB 3.28Å; N1765-L1769 PolarHBondContact O-N 3.19Å; L1769-M1773 HydrophobicContact CG-SD 4.48Å; L1769-M1773 WeakPolarHBondContact O-CB 3.44Å; L1769-M1773 WeakPolarHBondContact O-CG 3.27Å; L1769-M1773 PolarHBondContact O-N 3.04Å
1770	L	63.6	Low	59.6	Low	10 Å²	10	66.4 Å²	66.4	5%	0.052	35%	0.348	C	S	.	.	H	α-helix	trans	-70.2	-39.7	177.5	-72.3	167.9	0	0	0	111.5	L1573 L1766 Q1767 E1768 M1773 Y1774	L1573-L1770 HydrophobicContact CB-CD2 4.2Å; L1573-L1770 HydrophobicContact CD2-CD1 3.86Å; L1573-L1770 HydrophobicContact CD2-CD2 4.05Å; L1766-L1770 HydrophobicContact CD2-CD1 4.34Å; L1766-L1770 HydrophobicContact CG-CD1 4.03Å; L1766-L1770 WeakPolarHBondContact O-CB 3.4Å; L1766-L1770 WeakPolarHBondContact O-CD1 3.39Å; L1766-L1770 WeakPolarHBondContact O-CG 3.28Å; L1766-L1770 PolarHBondContact O-N 2.93Å; Q1767-L1770 PolarHBondContact O-N 3.47Å; E1768-L1770 VanDerWaalsContact C-N 3.33Å; E1768-L1770 PolarHBondContact O-N 3.15Å; L1770-M1773 PolarHBondContact O-N 3.09Å; L1770-Y1774 HydrophobicContact CB-CD2 4.31Å; L1770-Y1774 HydrophobicContact CB-CE2 4.27Å; L1770-Y1774 HydrophobicContact CD2-CE2 4.37Å; L1770-Y1774 WeakPolarHBondContact O-CB 3.4Å; L1770-Y1774 WeakPolarHBondContact O-CD2 3.42Å; L1770-Y1774 PolarHBondContact O-N 3Å
1771	E	64.8	Low	57.8	Low	111 Å²	111	65 Å²	65	52%	0.519	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-37.9	176.9	-76.1	178.1	-168.1	0	0	111.7	Q1767 E1768 Y1774 A1775	Q1767-E1771 HydrophobicContact CG-CG 4.37Å; Q1767-E1771 WeakPolarHBondContact CG-OE1 3.45Å; Q1767-E1771 PolarHBondContact NE2-OE1 3.21Å; Q1767-E1771 WeakPolarHBondContact O-CB 2.95Å; Q1767-E1771 WeakPolarHBondContact O-CG 3.31Å; Q1767-E1771 PolarHBondContact O-N 3.47Å; E1768-E1771 PolarHBondContact O-N 3.39Å; E1771-Y1774 CarbonylContact O-C 3.46Å; E1771-Y1774 PolarHBondContact O-N 3.22Å; E1771-A1775 WeakPolarHBondContact O-CB 3.44Å; E1771-A1775 PolarHBondContact O-N 3.36Å
1772	D	63.3	Low	56.2	Low	116 Å²	116	66.1 Å²	66.1	62%	0.62	37%	0.368	S	S	*	.	H	α-helix	trans	-64.1	-46.7	169.6	-80.6	-17	0	0	0	111.5	E1768 Y1774 A1775 D1776	E1768-D1772 WeakPolarHBondContact O-CB 3.34Å; E1768-D1772 PolarHBondContact O-N 3.3Å; D1772-Y1774 VanDerWaalsContact C-N 3.31Å; D1772-Y1774 PolarHBondContact O-N 2.66Å; D1772-A1775 WeakPolarHBondContact O-CA 3.43Å; D1772-A1775 WeakPolarHBondContact O-CB 3.26Å; D1772-A1775 PolarHBondContact O-N 2.72Å; D1772-D1776 PolarHBondContact O-N 3.35Å
1773	M	56.1	Low	54.8	Low	20 Å²	20	69 Å²	69	10%	0.099	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-37.7	175	-78.5	178	52.8	0	0	112.8	T1574 Q1697 V1701 L1769 L1770 A1775 D1776 L1777	T1574-M1773 HydrophobicContact CG2-CE 4.38Å; Q1697-M1773 HydrophobicContact CB-CE 3.86Å; Q1697-M1773 HydrophobicContact CB-SD 4.07Å; Q1697-M1773 HydrophobicContact CG-CE 4.17Å; Q1697-M1773 HydrophobicContact CG-CG 4.4Å; Q1697-M1773 HydrophobicContact CG-SD 4.14Å; V1701-M1773 HydrophobicContact CG2-CE 4.4Å; V1701-M1773 HydrophobicContact CG2-SD 4.06Å; L1769-M1773 HydrophobicContact CG-SD 4.48Å; L1769-M1773 WeakPolarHBondContact O-CB 3.44Å; L1769-M1773 WeakPolarHBondContact O-CG 3.27Å; L1769-M1773 PolarHBondContact O-N 3.04Å; L1770-M1773 PolarHBondContact O-N 3.09Å; M1773-A1775 VanDerWaalsContact C-N 3.34Å; M1773-D1776 PolarHBondContact O-N 3.45Å; M1773-L1777 WeakPolarHBondContact O-CD1 3.48Å; M1773-L1777 PolarHBondContact O-N 3.08Å; M1773-L1777 VanDerWaalsContact O-N 3.15Å
1774	Y	56.2	Low	53	Low	111 Å²	111	70 Å²	70	44%	0.435	40%	0.395	S	S	.	.	H	α-helix	trans	-77.5	-16.5	174.8	-71.7	-58.5	0	0	0	113.2	L1770 E1771 D1772 L1777	L1770-Y1774 HydrophobicContact CB-CD2 4.31Å; L1770-Y1774 HydrophobicContact CB-CE2 4.27Å; L1770-Y1774 HydrophobicContact CD2-CE2 4.37Å; L1770-Y1774 WeakPolarHBondContact O-CB 3.4Å; L1770-Y1774 WeakPolarHBondContact O-CD2 3.42Å; L1770-Y1774 PolarHBondContact O-N 3Å; E1771-Y1774 CarbonylContact O-C 3.46Å; E1771-Y1774 PolarHBondContact O-N 3.22Å; D1772-Y1774 VanDerWaalsContact C-N 3.31Å; D1772-Y1774 PolarHBondContact O-N 2.66Å; Y1774-L1777 HydrophobicContact CD1-CD1 3.85Å; Y1774-L1777 HydrophobicContact CD1-CD2 4.08Å; Y1774-L1777 HydrophobicContact CE1-CD1 4.36Å
1775	A	54.9	Low	51.3	Low	59 Å²	59	68.5 Å²	68.5	49%	0.488	39%	0.393	S	S	.	.	H	α-helix	trans	-81.1	-32.8	168.3	0	0	0	0	0	112.5	E1771 D1772 M1773 P1778	E1771-A1775 WeakPolarHBondContact O-CB 3.44Å; E1771-A1775 PolarHBondContact O-N 3.36Å; D1772-A1775 WeakPolarHBondContact O-CA 3.43Å; D1772-A1775 WeakPolarHBondContact O-CB 3.26Å; D1772-A1775 PolarHBondContact O-N 2.72Å; M1773-A1775 VanDerWaalsContact C-N 3.34Å; A1775-P1778 WeakPolarHBondContact O-CD 3.34Å
1776	D	51.1	Low	49.3	Very low	101 Å²	101	70.5 Å²	70.5	54%	0.54	40%	0.397	S	S	.	.	H	α-helix	trans	-79.8	-16.2	175.3	-95.3	-16.1	0	0	0	114.1	D1772 M1773 P1778 G1779	D1772-D1776 PolarHBondContact O-N 3.35Å; M1773-D1776 PolarHBondContact O-N 3.45Å; D1776-P1778 VanDerWaalsContact C-N 3.27Å; D1776-P1778 WeakPolarHBondContact O-CD 3.46Å; D1776-P1778 VanDerWaalsContact O-N 3.08Å; D1776-G1779 PolarHBondContact O-N 3.12Å
1777	L	44.6	Very low	47.5	Very low	70 Å²	70	76.4 Å²	76.4	37%	0.366	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-43	-38.9	177	-129.2	79.2	0	0	0	115.6	L1575 M1773 Y1774 G1779	L1575-L1777 HydrophobicContact CD1-CD1 3.61Å; L1575-L1777 HydrophobicContact CD1-CG 4.05Å; L1575-L1777 HydrophobicContact CD2-CD1 3.73Å; L1575-L1777 HydrophobicContact CD2-CD2 4.31Å; L1575-L1777 HydrophobicContact CD2-CG 3.93Å; L1575-L1777 HydrophobicContact CG-CD1 3.59Å; L1575-L1777 HydrophobicContact CG-CG 4.25Å; M1773-L1777 WeakPolarHBondContact O-CD1 3.48Å; M1773-L1777 PolarHBondContact O-N 3.08Å; M1773-L1777 VanDerWaalsContact O-N 3.15Å; Y1774-L1777 HydrophobicContact CD1-CD1 3.85Å; Y1774-L1777 HydrophobicContact CD1-CD2 4.08Å; Y1774-L1777 HydrophobicContact CE1-CD1 4.36Å; L1777-G1779 PolarHBondContact O-N 2.88Å
1778	P	43	Very low	45.6	Very low	15 Å²	15	73.9 Å²	73.9	10%	0.097	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-73.7	1.8	177.6	-16.5	33.5	0	0	0	115	Y748 G754 N755 A1775 D1776	Y748-P1778 HydrophobicContact CD1-CB 3.6Å; Y748-P1778 HydrophobicContact CD1-CG 3.62Å; Y748-P1778 HydrophobicContact CD2-CB 4.21Å; Y748-P1778 HydrophobicContact CD2-CG 3.41Å; Y748-P1778 VanDerWaalsContact CD2-CG 3.41Å; Y748-P1778 HydrophobicContact CE1-CB 3.97Å; Y748-P1778 HydrophobicContact CE1-CG 3.71Å; Y748-P1778 HydrophobicContact CE2-CG 3.49Å; Y748-P1778 VanDerWaalsContact CE2-CG 3.49Å; Y748-P1778 HydrophobicContact CG-CB 3.73Å; Y748-P1778 HydrophobicContact CG-CG 3.47Å; Y748-P1778 VanDerWaalsContact CG-CG 3.47Å; G754-P1778 WeakPolarHBondContact CA-O 3.44Å; N755-P1778 PolarHBondContact N-O 3.06Å; A1775-P1778 WeakPolarHBondContact O-CD 3.34Å; D1776-P1778 VanDerWaalsContact C-N 3.27Å; D1776-P1778 WeakPolarHBondContact O-CD 3.46Å; D1776-P1778 VanDerWaalsContact O-N 3.08Å
1779	G	42.5	Very low	43.7	Very low	43 Å²	43	75.5 Å²	75.5	44%	0.443	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-93.9	-13.7	-176	0	0	0	0	0	115.7	D1776 L1777	D1776-G1779 PolarHBondContact O-N 3.12Å; L1777-G1779 PolarHBondContact O-N 2.88Å
1780	M	37.6	Very low	41.9	Very low	72 Å²	72	81 Å²	81	36%	0.355	47%	0.474	S	S	.	.	S	Bend	trans	-89.9	135.5	-173.2	-78.9	-173	52.5	0	0	113.9	L1575 L1694	L1575-M1780 HydrophobicContact CD1-SD 3.52Å; L1575-M1780 VanDerWaalsContact CD1-SD 3.52Å; L1694-M1780 HydrophobicContact CD1-CE 4.07Å; L1694-M1780 HydrophobicContact CD2-CE 3.91Å; L1694-M1780 HydrophobicContact CD2-SD 3.89Å; L1694-M1780 HydrophobicContact CG-CE 4.08Å; L1694-M1780 HydrophobicContact CG-SD 4.47Å
1781	P	31	Very low	40.2	Very low	68 Å²	68	88 Å²	88	44%	0.442	51%	0.512	S	S	.	.			trans	-80.4	134.8	-179.6	32.4	-34.5	0	0	0	112.5	S1783	P1781-S1783 PolarHBondContact O-N 3.43Å
1782	A	32	Very low	38.5	Very low	91 Å²	91	88.5 Å²	88.5	75%	0.752	53%	0.528	S	S	*	.			trans	-73.8	23.8	177.4	0	0	0	0	0	114.5	V1784	A1782-V1784 VanDerWaalsContact C-N 3.33Å; A1782-V1784 PolarHBondContact O-N 3.02Å
1783	S	34.6	Very low	36.7	Very low	88 Å²	88	90.4 Å²	90.4	62%	0.615	54%	0.538	S	S	*	.			trans	-81.6	-1	-169.1	45.7	0	0	0	0	115.2	P1781 T1785	P1781-S1783 PolarHBondContact O-N 3.43Å; S1783-T1785 VanDerWaalsContact C-N 3.31Å; S1783-T1785 PolarHBondContact O-N 3.22Å
1784	V	30	Very low	35.5	Very low	48 Å²	48	94.1 Å²	94.1	29%	0.291	56%	0.563	S	S	.	*			trans	-78.7	79.4	177.5	-170.8	0	0	0	0	110.7	K1586 F1687 A1782	K1586-V1784 PolarHBondContact NZ-O 3.49Å; F1687-V1784 HydrophobicContact CD2-CG1 4.14Å; F1687-V1784 HydrophobicContact CD2-CG2 4.22Å; F1687-V1784 HydrophobicContact CE2-CG1 3.76Å; F1687-V1784 HydrophobicContact CE2-CG2 4.48Å; A1782-V1784 VanDerWaalsContact C-N 3.33Å; A1782-V1784 PolarHBondContact O-N 3.02Å
1785	T	32.5	Very low	33.9	Very low	70 Å²	70	98.5 Å²	98.5	43%	0.429	59%	0.585	S	S	.	*			trans	-159.6	122.9	148.6	4.7	0	0	0	0	111.9	K1586 S1783	K1586-T1785 HydrophobicContact CB-CG2 4.25Å; K1586-T1785 HydrophobicContact CD-CG2 3.37Å; K1586-T1785 HydrophobicContact CG-CG2 4.43Å; K1586-T1785 PolarHBondContact NZ-OG1 2.8Å; S1783-T1785 VanDerWaalsContact C-N 3.31Å; S1783-T1785 PolarHBondContact O-N 3.22Å
1786	F	27.5	Very low	32.5	Very low	128 Å²	128	97.4 Å²	97.4	56%	0.561	58%	0.58	S	S	*	*			trans	-70.3	131.7	167.3	-77	-104.7	0	0	0	110.6
1787	T	29	Very low	31.3	Very low	131 Å²	131	98.1 Å²	98.1	80%	0.804	59%	0.588	S	S	*	*			trans	-136.4	97.6	160.2	53.8	0	0	0	0	109.2
1788	G	27.4	Very low	30.3	Very low	38 Å²	38	101.8 Å²	101.8	39%	0.392	60%	0.601	S	S	.	*			trans	-110.6	127	178.8	0	0	0	0	0	112.5	K1655	K1655-G1788 PolarHBondContact NZ-O 2.96Å
1789	D	28.6	Very low	29.4	Very low	146 Å²	146	105.7 Å²	105.7	78%	0.781	62%	0.621	S	S	*	*			trans	65.3	122.8	162	-43.7	-46.6	0	0	0	119
1790	D	29.6	Very low	28.5	Very low	164 Å²	164	111.7 Å²	111.7	88%	0.877	64%	0.641	S	S	*	*				-158.9	162.4	127.6	-95	-25.8	0	0	0	110.2
1791	D	27.2	Very low	27.9	Very low	158 Å²	158	114.7 Å²	114.7	85%	0.845	66%	0.657	S	S	*	*			trans	-72.9	160.5	-150.3	-86.1	-54.6	0	0	0	120.7
1792	S	30	Very low	27.6	Very low	122 Å²	122	115.7 Å²	115.7	85%	0.853	67%	0.666	S	S	*	*			trans	105.1	144.8	147.9	80.2	0	0	0	0	121.4
1793	N	25.8	Very low	27.3	Very low	155 Å²	155	116.5 Å²	116.5	83%	0.829	67%	0.666	S	S	*	*			trans	-83.3	168.3	-170.8	-94.6	-54.5	0	0	0	114.2
1794	P	29.9	Very low	26.8	Very low	98 Å²	98	116 Å²	116	64%	0.636	67%	0.674	S	S	*	*			cis	-140.4	178	-21.5	36.7	-17.9	0	0	0	115.6
1795	K	23.1	Very low	26.6	Very low	203 Å²	203	120.6 Å²	120.6	88%	0.883	70%	0.697	S	S	*	*			trans	81.8	135.8	166.2	-52.4	177.1	179.5	-176.6	0	117.5
1796	G	25	Very low	26.3	Very low	37 Å²	37	121.1 Å²	121.1	38%	0.381	70%	0.701	S	S	.	*			trans	134.3	69	171.4	0	0	0	0	0	114.2	F1798	G1796-F1798 PolarHBondContact O-N 3.3Å
1797	T	25.7	Very low	26.3	Very low	115 Å²	115	121 Å²	121	71%	0.706	71%	0.706	S	S	*	*			trans	-81.1	83.7	-168.7	-45.5	0	0	0	0	114.1	N1799	T1797-N1799 PolarHBondContact O-ND2 3.01Å
1798	F	23.3	Very low	26.1	Very low	147 Å²	147	122 Å²	122	65%	0.645	71%	0.707	S	S	*	*			trans	-62.1	134.6	163.2	-79.4	-103.6	0	0	0	110.9	L785 G1796	L785-F1798 HydrophobicContact CD1-CE2 3.82Å; L785-F1798 HydrophobicContact CD1-CZ 4.41Å; G1796-F1798 PolarHBondContact O-N 3.3Å
1799	N	24.8	Very low	26.1	Very low	98 Å²	98	127.8 Å²	127.8	52%	0.524	73%	0.727	S	S	.	*			trans	-131.4	114.8	166	-65.7	-88	0	0	0	108.3	T1797 K1822	T1797-N1799 PolarHBondContact O-ND2 3.01Å; N1799-K1822 PolarHBondContact OD1-NZ 2.88Å
1800	I	24.3	Very low	25.8	Very low	168 Å²	168	124.8 Å²	124.8	86%	0.862	72%	0.717	S	S	*	*			trans	-87.1	131.7	171.9	-63.2	174.5	0	0	0	108.7
1801	I	24.3	Very low	25.7	Very low	135 Å²	135	120.5 Å²	120.5	69%	0.692	69%	0.693	S	S	*	*			trans	-143.5	145.3	176.6	-58.2	-178.2	0	0	0	109.1
1802	S	24.5	Very low	25.6	Very low	90 Å²	90	117.9 Å²	117.9	63%	0.629	68%	0.678	S	S	*	*			trans	102.6	101.5	155.9	-114.5	0	0	0	0	120.8
1803	S	25.2	Very low	25.4	Very low	108 Å²	108	117.8 Å²	117.8	76%	0.755	67%	0.668	S	S	*	*				68.1	128	121.4	70.7	0	0	0	0	122.5
1804	G	26.1	Very low	25.3	Very low	76 Å²	76	115.7 Å²	115.7	78%	0.784	67%	0.666	S	S	*	*			trans	-176.7	123.5	156.5	0	0	0	0	0	111.4
1805	N	25.7	Very low	25	Very low	145 Å²	145	114.5 Å²	114.5	78%	0.775	67%	0.671	S	S	*	*			trans	-95.7	146.9	-178.3	-75.7	14.7	0	0	0	112.9
1806	T	26.2	Very low	25.1	Very low	82 Å²	82	112.8 Å²	112.8	50%	0.503	66%	0.659	S	S	.	*			trans	-129.2	168	139.9	54	0	0	0	0	109.7	N755 M757	N755-T1806 HydrophobicContact CB-CG2 3.97Å; M757-T1806 HydrophobicContact CE-CG2 4.02Å; M757-T1806 HydrophobicContact CG-CG2 3.87Å
1807	N	25.8	Very low	25.1	Very low	126 Å²	126	116.1 Å²	116.1	67%	0.674	68%	0.677	S	S	*	*			trans	-106.8	169.6	-163.3	-59	-36.2	0	0	0	113.6
1808	N	25.8	Very low	25.1	Very low	152 Å²	152	115.5 Å²	115.5	81%	0.813	66%	0.662	S	S	*	*			trans	65.4	100.4	156.9	-59.9	-3.8	0	0	0	118.3
1809	I	27.1	Very low	25.3	Very low	158 Å²	158	113.8 Å²	113.8	81%	0.81	66%	0.656	S	S	*	*				-161.5	137.9	109.1	-97.5	156.2	0	0	0	108.3
1810	S	23.3	Very low	25.4	Very low	83 Å²	83	113.7 Å²	113.7	58%	0.58	66%	0.655	S	S	*	*			trans	-94.5	122.2	-173	53.3	0	0	0	0	112.7
1811	I	27.6	Very low	25.5	Very low	74 Å²	74	110.3 Å²	110.3	38%	0.379	64%	0.644	S	S	.	*			trans	-131.4	136.3	153.9	-67.9	-171	0	0	0	109.8	M1462 R1532 Y1631	M1462-I1811 HydrophobicContact CE-CD1 4.03Å; M1462-I1811 HydrophobicContact CE-CG1 3.99Å; R1532-I1811 VanDerWaalsContact CZ-CD1 3.48Å; Y1631-I1811 HydrophobicContact CD1-CD1 4.44Å
1812	I	24.4	Very low	25.6	Very low	103 Å²	103	111.1 Å²	111.1	53%	0.528	64%	0.642	S	S	.	*			trans	-82.6	125.5	-176.3	-61.4	159.1	0	0	0	108.9
1813	N	25.4	Very low	25.7	Very low	121 Å²	121	112.5 Å²	112.5	65%	0.647	65%	0.647	S	S	*	*				-174	122.6	126.7	-98	-53.8	0	0	0	113.2
1814	S	24	Very low	25.7	Very low	111 Å²	111	115.4 Å²	115.4	78%	0.776	65%	0.653	S	S	*	*			trans	25.5	110.4	147	62.6	0	0	0	0	120.9
1815	G	24.1	Very low	25.8	Very low	73 Å²	73	116 Å²	116	75%	0.753	65%	0.65	S	S	*	*			trans	117.8	126.7	130	0	0	0	0	0	119.3
1816	R	24.9	Very low	25.7	Very low	167 Å²	167	115.8 Å²	115.8	63%	0.63	64%	0.644	S	S	*	*			trans	59.2	110.7	158.8	-58.2	-176.4	178.6	-178.9	2.1	118.8	Y1818	R1816-Y1818 HydrophobicContact CB-CD2 3.82Å; R1816-Y1818 HydrophobicContact CB-CE2 3.52Å; R1816-Y1818 HydrophobicContact CG-CE2 4.19Å; R1816-Y1818 PolarHBondContact NH1-OH 2.91Å; R1816-Y1818 PolarHBondContact O-N 3.02Å
1817	S	24.7	Very low	25.8	Very low	107 Å²	107	119.8 Å²	119.8	75%	0.748	66%	0.661	S	S	*	*			trans	-83.4	105.7	160.5	56.1	0	0	0	0	112	N54	N54-S1817 PolarHBondContact ND2-O 2.67Å
1818	Y	26.6	Very low	25.7	Very low	102 Å²	102	119 Å²	119	40%	0.4	66%	0.661	S	S	.	*			trans	-79.6	139.2	176.4	-81.1	-122.1	0	0	0	111.8	N55 D56 R1816	N55-Y1818 WeakPolarHBondContact ND2-CD1 3.38Å; N55-Y1818 VanDerWaalsContact OD1-CA 3.28Å; N55-Y1818 WeakPolarHBondContact OD1-CA 3.29Å; N55-Y1818 WeakPolarHBondContact OD1-CB 3.46Å; D56-Y1818 WeakPolarHBondContact OD1-CE1 3.47Å; D56-Y1818 PolarHBondContact OD1-OH 2.9Å; D56-Y1818 WeakPolarHBondContact OD2-CE1 3.5Å; R1816-Y1818 HydrophobicContact CB-CD2 3.82Å; R1816-Y1818 HydrophobicContact CB-CE2 3.52Å; R1816-Y1818 HydrophobicContact CG-CE2 4.19Å; R1816-Y1818 PolarHBondContact NH1-OH 2.91Å; R1816-Y1818 PolarHBondContact O-N 3.02Å
1819	H	26.5	Very low	25.6	Very low	111 Å²	111	120.1 Å²	120.1	51%	0.514	66%	0.661	S	S	.	*			trans	-107	100.3	161.7	-80.9	-37.9	0	0	0	109	N54 N55	N54-H1819 HydrophobicContact CB-CB 3.85Å; N54-H1819 PolarHBondContact ND2-CD2 3.04Å; N55-H1819 PolarHBondContact ND2-O 3.07Å; N55-H1819 PolarHBondContact OD1-N 3.33Å; N55-H1819 PolarHBondContact OD1-O 3.42Å
1820	L	27.8	Very low	25.5	Very low	95 Å²	95	118.4 Å²	118.4	50%	0.497	66%	0.658	S	S	.	*			trans	-63.8	155.2	177	-97.2	81.1	0	0	0	113.3
1821	P	25.8	Very low	25.6	Very low	98 Å²	98	122.2 Å²	122.2	64%	0.636	67%	0.672	S	S	*	*			trans	-114.3	171.5	-144.7	41.4	-34	0	0	0	115.5
1822	K	26.8	Very low	25.4	Very low	151 Å²	151	125.2 Å²	125.2	66%	0.657	69%	0.688	S	S	*	*			trans	-148.3	126.5	162.2	-75.9	-170.3	179.7	-177	0	107.3	N1799	N1799-K1822 PolarHBondContact OD1-NZ 2.88Å
1823	T	27	Very low	25.4	Very low	119 Å²	119	125.5 Å²	125.5	73%	0.73	70%	0.697	S	S	*	*			cis	-155.8	143.6	-0.5	-59.5	0	0	0	0	108.4
1824	I	24.7	Very low	25.3	Very low	170 Å²	170	125.7 Å²	125.7	87%	0.872	70%	0.698	S	S	*	*			trans	-87.5	119.9	165.7	-68.8	170.7	0	0	0	108.9
1825	A	27.1	Very low	25.4	Very low	87 Å²	87	127.1 Å²	127.1	72%	0.719	70%	0.698	S	S	*	*			trans	-157.1	81.4	169.8	0	0	0	0	0	109.6
1826	E	25.1	Very low	25.5	Very low	142 Å²	142	130.6 Å²	130.6	66%	0.664	70%	0.699	S	S	*	*			trans	176.5	76.1	153.4	-104.5	177.5	-148.5	0	0	110.1	N182	N182-E1826 PolarHBondContact ND2-OE1 3.27Å; N182-E1826 PolarHBondContact ND2-OE2 3.44Å
1827	I	27.1	Very low	25.7	Very low	165 Å²	165	128.6 Å²	128.6	85%	0.846	70%	0.701	S	S	*	*			trans	-135.5	95.5	145.1	-58.7	-176.1	0	0	0	106.7
1828	T	23.9	Very low	25.8	Very low	110 Å²	110	130.2 Å²	130.2	68%	0.675	70%	0.699	S	S	*	*			trans	-96	148.6	154.7	40	0	0	0	0	108.4
1829	E	24.6	Very low	25.7	Very low	175 Å²	175	131.9 Å²	131.9	82%	0.818	72%	0.715	S	S	*	*			trans	59	95.4	154.8	-64.7	162	-159.6	0	0	117.9
1830	V	24.6	Very low	25.7	Very low	123 Å²	123	132.7 Å²	132.7	75%	0.745	72%	0.723	S	S	*	*				-134.3	102.4	109.6	-176.5	0	0	0	0	108.3	L1832	V1830-L1832 HydrophobicContact CG1-CB 4.28Å; V1830-L1832 HydrophobicContact CG1-CD1 4.29Å; V1830-L1832 HydrophobicContact CG1-CG 4.19Å
1831	N	24.9	Very low	25.5	Very low	163 Å²	163	135.1 Å²	135.1	87%	0.872	74%	0.742	S	S	*	*			trans	-97.4	104.4	156.8	-91.5	0.9	0	0	0	107.1
1832	L	23.1	Very low	25.5	Very low	137 Å²	137	133.7 Å²	133.7	72%	0.717	75%	0.745	S	S	*	*			trans	-144	132.9	160.6	-69.4	174.6	0	0	0	105.3	V1830	V1830-L1832 HydrophobicContact CG1-CB 4.28Å; V1830-L1832 HydrophobicContact CG1-CD1 4.29Å; V1830-L1832 HydrophobicContact CG1-CG 4.19Å
1833	C	25	Very low	25.3	Very low	108 Å²	108	132.3 Å²	132.3	73%	0.73	75%	0.754	S	S	*	*			cis	-118.5	150.3	6.6	-53.6	0	0	0	0	111.9
1834	D	24	Very low	25.1	Very low	125 Å²	125	131.4 Å²	131.4	67%	0.668	75%	0.752	S	S	*	*				25	124.4	119.8	-39.9	-22.2	0	0	0	117.9
1835	D	25.2	Very low	25	Very low	142 Å²	142	133.5 Å²	133.5	76%	0.759	75%	0.749	S	S	*	*				25.8	119.7	119.8	-50.6	-29.7	0	0	0	116.1
1836	D	26.3	Very low	24.8	Very low	145 Å²	145	135.7 Å²	135.7	78%	0.775	74%	0.744	S	S	*	*				-169.3	166.2	75.1	-96.2	-36.9	0	0	0	112.8
1837	D	28.4	Very low	24.7	Very low	126 Å²	126	135.8 Å²	135.8	67%	0.674	75%	0.745	S	S	*	*			trans	55.9	123.4	157	-68.8	-22.3	0	0	0	120.2
1838	I	26.5	Very low	24.6	Very low	140 Å²	140	134.6 Å²	134.6	72%	0.718	74%	0.74	S	S	*	*				63.5	115.7	57.4	-54.9	170	0	0	0	109.2
1839	D	25.9	Very low	24.5	Very low	137 Å²	137	135.8 Å²	135.8	73%	0.733	74%	0.742	S	S	*	*				-157.8	-179.5	53.7	-145.8	-17.7	0	0	0	115.1
1840	N	25.2	Very low	24.5	Very low	128 Å²	128	133.9 Å²	133.9	68%	0.684	74%	0.737	S	S	*	*			trans	-62.1	172.2	-175.3	-76	-88.8	0	0	0	117.8
1841	T	25	Very low	24.5	Very low	146 Å²	146	132.2 Å²	132.2	90%	0.896	73%	0.731	S	S	*	*			trans	78.3	147.7	164.5	77.7	0	0	0	0	116.6
1842	G	24.4	Very low	24.5	Very low	68 Å²	68	132.4 Å²	132.4	70%	0.701	73%	0.727	S	S	*	*			cis	170.7	167.7	-8.9	0	0	0	0	0	113.5
1843	C	22.7	Very low	24.8	Very low	123 Å²	123	131.8 Å²	131.8	83%	0.831	73%	0.729	S	S	*	*			trans	45.8	96.6	161.5	-67.9	0	0	0	0	120.1
1844	S	22.8	Very low	25.2	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	73%	0.731	S	S	*	*				64.4	138.1	118.9	73.5	0	0	0	0	123
1845	R	22.8	Very low	25.4	Very low	214 Å²	214	130.3 Å²	130.3	81%	0.808	73%	0.732	S	S	*	*			trans	82.5	140	131.7	-96.4	176	173.8	160	0.5	121.1
1846	H	24	Very low	25.6	Very low	133 Å²	133	129.1 Å²	129.1	62%	0.616	73%	0.726	S	S	*	*			trans	67.2	121	153.2	-69.9	-72.8	0	0	0	120.4
1847	E	22.5	Very low	25.7	Very low	144 Å²	144	129.7 Å²	129.7	67%	0.673	72%	0.721	S	S	*	*				71.1	115.5	125.9	-70.1	157.3	-159.1	0	0	121.1
1848	D	24	Very low	25.8	Very low	139 Å²	139	131 Å²	131	74%	0.743	73%	0.727	S	S	*	*				76	139.9	120.4	-56.9	-4.9	0	0	0	122.9
1849	D	23.5	Very low	25.8	Very low	136 Å²	136	128.8 Å²	128.8	73%	0.727	72%	0.723	S	S	*	*			trans	71.3	135.3	143.8	-95.7	12.5	0	0	0	122.3
1850	N	23.9	Very low	26.1	Very low	134 Å²	134	133.5 Å²	133.5	72%	0.717	73%	0.731	S	S	*	*			trans	56	125.3	141.9	-67.8	-49.2	0	0	0	118.8
1851	S	24.1	Very low	26.6	Very low	88 Å²	88	133.2 Å²	133.2	62%	0.615	74%	0.736	S	S	*	*			cis	177.3	170.1	25.1	48.8	0	0	0	0	112.5
1852	Q	25	Very low	26.8	Very low	167 Å²	167	129.5 Å²	129.5	78%	0.78	73%	0.727	S	S	*	*			trans	49.3	107.1	141.7	-69	164.5	7	0	0	120.7
1853	T	30.5	Very low	27	Very low	124 Å²	124	133.7 Å²	133.7	76%	0.761	73%	0.73	S	S	*	*				15	142	118.4	55.5	0	0	0	0	118.3
1854	P	32.9	Very low	27.1	Very low	119 Å²	119	134 Å²	134	77%	0.773	72%	0.719	S	S	*	*				-159.7	179.5	62.6	44.3	-24.3	0	0	0	119.6
1855	A	27.6	Very low	27.4	Very low	84 Å²	84	135.7 Å²	135.7	69%	0.694	71%	0.714	S	S	*	*			trans	72.3	147.7	144.2	0	0	0	0	0	119.7
1856	D	29	Very low	27.5	Very low	117 Å²	117	133.3 Å²	133.3	63%	0.626	71%	0.71	S	S	*	*			cis	-153.8	154.9	-11.2	-123.4	8.7	0	0	0	115.3
1857	K	29.8	Very low	27.8	Very low	156 Å²	156	132.5 Å²	132.5	68%	0.678	71%	0.706	S	S	*	*			trans	13.4	148.6	142.1	-53.9	173.5	-165.9	77.4	0	119.4
1858	I	29.2	Very low	28.7	Very low	155 Å²	155	127.7 Å²	127.7	80%	0.795	69%	0.687	S	S	*	*				-169.1	111.7	79.5	-88.8	168.8	0	0	0	107.6
1859	S	27.9	Very low	29	Very low	92 Å²	92	126.5 Å²	126.5	64%	0.643	68%	0.681	S	S	*	*				101.9	117.5	90.7	-68.3	0	0	0	0	112.6
1860	R	31.6	Very low	29.3	Very low	237 Å²	237	123.8 Å²	123.8	89%	0.894	67%	0.673	S	S	*	*				80.1	159.4	68.5	-85.1	-173.8	173.4	-159.9	0.4	114.5
1861	P	35.2	Very low	29.5	Very low	121 Å²	121	124.5 Å²	124.5	79%	0.786	68%	0.676	S	S	*	*			cis	-123.5	-165.6	-20.6	39.8	-21.6	0	0	0	110.6
1862	G	29.3	Very low	29.8	Very low	68 Å²	68	128.2 Å²	128.2	70%	0.701	69%	0.685	S	S	*	*			cis	135.7	172.7	33.1	0	0	0	0	0	108.8
1863	M	27.7	Very low	30.6	Very low	157 Å²	157	125 Å²	125	77%	0.773	68%	0.679	S	S	*	*			cis	-176.7	151.5	-8.9	-128.3	179.8	136.5	0	0	112
1864	E	26.5	Very low	30.4	Very low	129 Å²	129	129.8 Å²	129.8	60%	0.603	68%	0.683	S	S	*	*			trans	74	154.7	152.4	-59.6	-166.7	162.9	0	0	120.7
1865	K	28.5	Very low	30.1	Very low	136 Å²	136	129.7 Å²	129.7	59%	0.591	69%	0.685	S	S	*	*			cis	-170.2	149	-12.5	-108.1	172	-172.5	152.9	0	114.4
1866	F	25	Very low	30.2	Very low	164 Å²	164	128.9 Å²	128.9	72%	0.719	69%	0.685	S	S	*	*			trans	48.4	174.4	144.2	-62.7	-44.2	0	0	0	124.1	L76	L76-F1866 CarbonylContact O-C 3.51Å
1867	H	29.7	Very low	30	Very low	116 Å²	116	128.5 Å²	128.5	54%	0.537	69%	0.692	S	S	.	*			cis	165.9	159.6	-40.3	-154.2	29.4	0	0	0	110.7	G75 L76	G75-H1867 VanDerWaalsContact O-CA 3.3Å; G75-H1867 WeakPolarHBondContact O-CA 3.07Å; L76-H1867 WeakPolarHBondContact CB-O 3.39Å; L76-H1867 PolarHBondContact O-N 2.78Å
1868	P	42	Very low	29.8	Very low	43 Å²	43	127.7 Å²	127.7	28%	0.279	69%	0.694	S	S	.	*			cis	-131.8	-152.5	-14.1	38.3	-14.5	0	0	0	115.4	G74 G75 L76	G74-P1868 CarbonylContact O-C 3.59Å; G74-P1868 WeakPolarHBondContact O-CA 3.48Å; G75-P1868 CarbonylContact C-O 3.57Å; G75-P1868 WeakPolarHBondContact CA-O 3.18Å; L76-P1868 WeakPolarHBondContact CB-O 3.4Å; L76-P1868 VanDerWaalsContact CD1-O 3.32Å; L76-P1868 WeakPolarHBondContact CD1-O 3.32Å; L76-P1868 WeakPolarHBondContact CG-O 3.4Å
1869	D	30	Very low	29.7	Very low	114 Å²	114	129.3 Å²	129.3	61%	0.61	70%	0.695	S	S	*	*			trans	94.3	99.7	144.5	-85.6	-30.9	0	0	0	126.1	G74	G74-D1869 PolarHBondContact O-N 3.39Å
1870	S	30.5	Very low	30.1	Very low	79 Å²	79	129.9 Å²	129.9	55%	0.552	70%	0.697	S	S	*	*				89.3	128.5	103.6	-78.5	0	0	0	0	126.7
1871	L	27.4	Very low	29.7	Very low	149 Å²	149	126.3 Å²	126.3	78%	0.78	70%	0.695	S	S	*	*			trans	87.9	101.2	140.6	-67.7	165.8	0	0	0	124
1872	M	31.2	Very low	29.4	Very low	166 Å²	166	124.3 Å²	124.3	82%	0.818	70%	0.697	S	S	*	*				49.3	157.1	106.9	-70.4	-94.8	138.9	0	0	122.3
1873	P	40.7	Very low	29.3	Very low	99 Å²	99	126.3 Å²	126.3	64%	0.643	70%	0.7	S	S	*	*			cis	-146.2	-153.9	-41.1	41.5	-21	0	0	0	114
1874	R	27.5	Very low	29.5	Very low	225 Å²	225	123.2 Å²	123.2	85%	0.849	69%	0.692	S	S	*	*			trans	95.6	104.1	146.1	-94.5	174.5	-171.3	-170.3	3	123.3
1875	S	26.6	Very low	29.3	Very low	116 Å²	116	124.5 Å²	124.5	81%	0.811	70%	0.698	S	S	*	*				64.8	133	117.1	69.1	0	0	0	0	123.8
1876	G	28.4	Very low	29.2	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	71%	0.705	S	S	*	*			trans	140.3	89.6	160.7	0	0	0	0	0	112.1
1877	S	26.2	Very low	29.2	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	70%	0.7	S	S	*	*			cis	81.4	138.7	47.3	91.3	0	0	0	0	115.2
1878	L	25.4	Very low	29	Very low	139 Å²	139	127.5 Å²	127.5	73%	0.728	71%	0.712	S	S	*	*			trans	92.3	98.6	161.4	-57.9	166.2	0	0	0	120.6
1879	K	26.4	Very low	28.4	Very low	188 Å²	188	128.6 Å²	128.6	82%	0.817	73%	0.73	S	S	*	*				95.4	157.6	118.7	-76.2	-174.2	175.5	-179.8	0	120.6
1880	P	35.5	Very low	28.1	Very low	104 Å²	104	130.4 Å²	130.4	68%	0.675	74%	0.739	S	S	*	*			trans	-125.7	-143.5	-155	44.7	-26.9	0	0	0	112.3
1881	N	24.4	Very low	28	Very low	162 Å²	162	135.2 Å²	135.2	87%	0.866	75%	0.75	S	S	*	*			trans	93.7	126.8	-178.9	-50.3	-30.1	0	0	0	112.9
1882	G	28.9	Very low	28.1	Very low	80 Å²	80	135.5 Å²	135.5	83%	0.825	75%	0.75	S	S	*	*			trans	174.8	3.9	-175.6	0	0	0	0	0	117.5
1883	S	26.8	Very low	27.8	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	74%	0.744	S	S	*	*			trans	-67.1	166.9	164.8	61.9	0	0	0	0	111.2
1884	P	31.1	Very low	27	Very low	93 Å²	93	136.5 Å²	136.5	60%	0.604	75%	0.748	S	S	*	*			cis	-150.5	-172.8	19.4	44.7	-24.4	0	0	0	117.9
1885	Q	23.7	Very low	27	Very low	156 Å²	156	129.7 Å²	129.7	73%	0.729	74%	0.735	S	S	*	*			trans	74.7	161.4	142.7	-80	157.5	9.9	0	0	122.1
1886	F	25.7	Very low	27.1	Very low	169 Å²	169	131 Å²	131	74%	0.741	73%	0.733	S	S	*	*			trans	70.8	125.9	177.7	-51.9	-89.8	0	0	0	114.9
1887	E	26.2	Very low	27.1	Very low	131 Å²	131	134.2 Å²	134.2	61%	0.612	73%	0.734	S	S	*	*			cis	-156.9	162.4	0.3	-127.9	176.1	-177.5	0	0	115.2
1888	K	25.3	Very low	27.4	Very low	179 Å²	179	137.3 Å²	137.3	78%	0.778	74%	0.737	S	S	*	*			trans	2.5	141.6	158	-58.1	145.8	-174	165.1	0	118.6
1889	G	29.3	Very low	27.6	Very low	65 Å²	65	137.3 Å²	137.3	67%	0.67	74%	0.737	S	S	*	*			cis	-168.1	161.1	1.7	0	0	0	0	0	108.1
1890	I	23.7	Very low	27.7	Very low	153 Å²	153	134.2 Å²	134.2	79%	0.785	73%	0.734	S	S	*	*				40.9	93.3	64	-53.9	174.9	0	0	0	111.8	I1892	I1890-I1892 HydrophobicContact CG2-CD1 4.44Å; I1890-I1892 HydrophobicContact CG2-CG1 4.35Å
1891	F	27.3	Very low	27.3	Very low	180 Å²	180	134.4 Å²	134.4	79%	0.789	74%	0.738	S	S	*	*			trans	-125.6	127.7	143.8	-121.2	-94.4	0	0	0	107.1	E1893	F1891-E1893 HydrophobicContact CD1-CG 4.08Å; F1891-E1893 HydrophobicContact CE1-CG 4.37Å
1892	I	30.2	Very low	27.3	Very low	154 Å²	154	131.4 Å²	131.4	79%	0.79	73%	0.729	S	S	*	*			trans	-114.4	109.2	175.5	-64	170.2	0	0	0	105.7	I1890	I1890-I1892 HydrophobicContact CG2-CD1 4.44Å; I1890-I1892 HydrophobicContact CG2-CG1 4.35Å
1893	E	23.9	Very low	27.1	Very low	146 Å²	146	132.7 Å²	132.7	68%	0.682	73%	0.725	S	S	*	*			trans	-151.5	136.3	171.3	-73.5	-175.8	168.6	0	0	106.6	F1891	F1891-E1893 HydrophobicContact CD1-CG 4.08Å; F1891-E1893 HydrophobicContact CE1-CG 4.37Å
1894	L	25.3	Very low	27	Very low	141 Å²	141	134.8 Å²	134.8	74%	0.738	73%	0.726	S	S	*	*			cis	-146.6	155.3	-14.3	-91	165.5	0	0	0	105.8
1895	S	25.9	Very low	27.1	Very low	82 Å²	82	135 Å²	135	57%	0.573	73%	0.727	S	S	*	*				41.8	136.7	101	-42.6	0	0	0	0	114.9
1896	D	30	Very low	27.3	Very low	143 Å²	143	133.8 Å²	133.8	77%	0.765	73%	0.725	S	S	*	*			cis	-128.7	139.4	24.5	-44.9	-39.7	0	0	0	110
1897	D	28.9	Very low	27.2	Very low	135 Å²	135	131.2 Å²	131.2	72%	0.722	72%	0.724	S	S	*	*				79	139.2	73.1	-50.4	-24.7	0	0	0	113.2
1898	E	32.6	Very low	27.1	Very low	175 Å²	175	131.7 Å²	131.7	82%	0.818	73%	0.731	S	S	*	*			cis	-136.5	154.1	5	-73.4	-169.7	148.5	0	0	113.5
1899	D	29.4	Very low	27	Very low	138 Å²	138	127.8 Å²	127.8	74%	0.738	73%	0.726	S	S	*	*			trans	27.8	136.5	137.8	-62.9	-14.9	0	0	0	123.1
1900	V	26.9	Very low	26.9	Very low	124 Å²	124	130.7 Å²	130.7	75%	0.752	73%	0.731	S	S	*	*			cis	82.4	99.1	42.9	179	0	0	0	0	115.1
1901	S	28	Very low	26.9	Very low	107 Å²	107	127.4 Å²	127.4	75%	0.748	73%	0.727	S	S	*	*			trans	-178.3	120.7	134.5	30.2	0	0	0	0	108.4
1902	S	24.1	Very low	27.1	Very low	99 Å²	99	125.2 Å²	125.2	69%	0.692	72%	0.723	S	S	*	*			cis	81	119.8	49.7	79.1	0	0	0	0	114.5
1903	C	24.8	Very low	26.8	Very low	108 Å²	108	124.3 Å²	124.3	73%	0.73	72%	0.716	S	S	*	*			trans	77	109.6	159.4	-59	0	0	0	0	119.8
1904	I	25.6	Very low	27	Very low	153 Å²	153	125.2 Å²	125.2	79%	0.785	72%	0.72	S	S	*	*				49	129.9	103.3	-61.2	159.9	0	0	0	117
1905	P	32.4	Very low	27.2	Very low	98 Å²	98	122.9 Å²	122.9	64%	0.636	72%	0.721	S	S	*	*			cis	-138.9	-129.9	-18.7	35.4	-10.5	0	0	0	112.2
1906	D	27.7	Very low	27.2	Very low	129 Å²	129	125.2 Å²	125.2	69%	0.69	73%	0.727	S	S	*	*			trans	74.2	97.6	157.5	-58.2	-24.3	0	0	0	121.8
1907	T	24.4	Very low	27.3	Very low	116 Å²	116	129.9 Å²	129.9	71%	0.712	73%	0.734	S	S	*	*				22.9	149.2	120.4	56	0	0	0	0	123
1908	D	23.8	Very low	27.2	Very low	141 Å²	141	128.5 Å²	128.5	75%	0.754	73%	0.726	S	S	*	*			trans	80	81.5	143.7	-68.4	-1.5	0	0	0	121.4
1909	S	23.9	Very low	27.1	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	73%	0.728	S	S	*	*				87.8	168.8	107.5	82.1	0	0	0	0	120.8
1910	T	25.7	Very low	27	Very low	126 Å²	126	128.9 Å²	128.9	77%	0.773	72%	0.719	S	S	*	*			trans	65.1	101.4	163.2	51.9	0	0	0	0	119.6
1911	A	25.1	Very low	27.2	Very low	85 Å²	85	131.7 Å²	131.7	70%	0.702	72%	0.724	S	S	*	*				87.5	161.1	117.6	0	0	0	0	0	119.6
1912	D	29.8	Very low	27.1	Very low	134 Å²	134	131.7 Å²	131.7	72%	0.717	72%	0.72	S	S	*	*			trans	64.7	140.7	168.1	-64.5	-7.5	0	0	0	119.2
1913	Q	25.8	Very low	27.2	Very low	135 Å²	135	134.3 Å²	134.3	63%	0.631	73%	0.726	S	S	*	*			cis	-173.5	151.7	-33.3	-122.4	-177.7	90	0	0	106.3
1914	Q	26.2	Very low	27.3	Very low	165 Å²	165	135.9 Å²	135.9	77%	0.771	73%	0.726	S	S	*	*			trans	53.8	118.1	156.6	-54.9	171.8	23.4	0	0	119.6
1915	A	29.7	Very low	27.5	Very low	91 Å²	91	136.6 Å²	136.6	75%	0.752	73%	0.726	S	S	*	*				173.4	105	109	0	0	0	0	0	115.2
1916	N	26.9	Very low	27	Very low	132 Å²	132	136.8 Å²	136.8	71%	0.706	73%	0.729	S	S	*	*				44.7	114.5	129.5	-51.3	-8.9	0	0	0	121.8
1917	R	31.4	Very low	26.9	Very low	240 Å²	240	137.4 Å²	137.4	91%	0.906	73%	0.733	S	S	*	*				174	102.7	115.2	-89.6	156	-170.5	-166.2	3.6	108
1918	N	26.6	Very low	26.9	Very low	107 Å²	107	139.7 Å²	139.7	57%	0.572	74%	0.739	S	S	*	*				54.6	116.6	73.2	-57.9	85	0	0	0	110.6	D1920	N1918-D1920 PolarHBondContact ND2-OD2 3.46Å
1919	Y	30.2	Very low	27.1	Very low	218 Å²	218	136.3 Å²	136.3	86%	0.855	74%	0.737	S	S	*	*			cis	-114.2	150.6	40.8	-72.5	-103.7	0	0	0	112.6
1920	D	28.5	Very low	27.1	Very low	102 Å²	102	136 Å²	136	55%	0.545	74%	0.74	S	S	.	*			cis	71	141.9	39.3	-57.1	-55.2	0	0	0	112.3	N1918	N1918-D1920 PolarHBondContact ND2-OD2 3.46Å
1921	E	31.2	Very low	27.3	Very low	183 Å²	183	137 Å²	137	86%	0.855	74%	0.741	S	S	*	*			cis	-119.3	170.7	27.2	-60.5	-172.2	131.9	0	0	116
1922	T	26.3	Very low	27.4	Very low	107 Å²	107	138.9 Å²	138.9	66%	0.656	74%	0.739	S	S	*	*			trans	-130.5	160.3	177.9	59.1	0	0	0	0	110.7
1923	N	25.9	Very low	27.5	Very low	155 Å²	155	139.3 Å²	139.3	83%	0.829	74%	0.741	S	S	*	*			trans	40.2	104.2	150.2	-64.6	-37.9	0	0	0	119.1
1924	I	27.4	Very low	27.5	Very low	141 Å²	141	138.7 Å²	138.7	72%	0.723	74%	0.743	S	S	*	*			trans	-130.2	118.2	153.2	-64.2	-175.5	0	0	0	109.5
1925	Q	28.3	Very low	27.7	Very low	167 Å²	167	137.6 Å²	137.6	78%	0.78	74%	0.742	S	S	*	*			trans	58	123.7	160.4	-63.2	159.5	25.5	0	0	116.4
1926	S	22.7	Very low	27.7	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	74%	0.738	S	S	*	*			cis	50.1	79.1	19.2	55.8	0	0	0	0	115.8
1927	N	24.5	Very low	27.7	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	74%	0.735	S	S	*	*				178.7	133	124.9	-93.4	-35.9	0	0	0	115.2
1928	I	24.5	Very low	27.6	Very low	164 Å²	164	136.1 Å²	136.1	84%	0.841	73%	0.732	S	S	*	*			trans	70	133.1	143.1	-58.1	164.9	0	0	0	118.9
1929	G	27.9	Very low	27.6	Very low	69 Å²	69	138.7 Å²	138.7	71%	0.711	74%	0.74	S	S	*	*			trans	105	96.3	178.5	0	0	0	0	0	112
1930	A	24.9	Very low	27.3	Very low	89 Å²	89	133.9 Å²	133.9	74%	0.736	74%	0.737	S	S	*	*			cis	76.1	73.2	16.6	0	0	0	0	0	116.2
1931	D	30	Very low	27.2	Very low	147 Å²	147	133.2 Å²	133.2	79%	0.786	75%	0.746	S	S	*	*			trans	-156.5	126.6	131.7	-89.1	-38.2	0	0	0	106.4
1932	N	26.2	Very low	27.2	Very low	126 Å²	126	132.3 Å²	132.3	67%	0.674	75%	0.746	S	S	*	*				77.7	86.1	62.7	-67.8	-39.4	0	0	0	113.3
1933	D	31.8	Very low	27.3	Very low	142 Å²	142	133 Å²	133	76%	0.759	75%	0.752	S	S	*	*				173.2	122.8	111.7	-84.9	-23.9	0	0	0	108.4
1934	N	26.8	Very low	27.3	Very low	123 Å²	123	132.7 Å²	132.7	66%	0.658	75%	0.751	S	S	*	*			cis	102	150.1	49	-85.3	-43.3	0	0	0	111.4
1935	D	30.7	Very low	27.3	Very low	141 Å²	141	133.4 Å²	133.4	75%	0.754	76%	0.755	S	S	*	*			trans	69.9	136.5	166.5	-66.5	-5.9	0	0	0	119.3
1936	I	29	Very low	27.2	Very low	132 Å²	132	131.4 Å²	131.4	68%	0.677	76%	0.756	S	S	*	*			cis	-157.1	178.1	-14.2	-127.7	165.3	0	0	0	111.2
1937	N	26.5	Very low	27.3	Very low	119 Å²	119	133.4 Å²	133.4	64%	0.636	76%	0.759	S	S	*	*			trans	-35.6	164.7	170.8	-41.3	-55.8	0	0	0	116.1
1938	E	30.6	Very low	27.4	Very low	181 Å²	181	131.3 Å²	131.3	85%	0.846	76%	0.756	S	S	*	*			cis	-143.3	147.9	31.3	-59.5	174.7	139.8	0	0	111.3
1939	H	25.8	Very low	27.4	Very low	162 Å²	162	134 Å²	134	75%	0.75	76%	0.756	S	S	*	*			cis	76.5	126.7	44.9	-115.7	-70.3	0	0	0	116.2
1940	C	24.2	Very low	27.6	Very low	117 Å²	117	137 Å²	137	79%	0.791	76%	0.755	S	S	*	*			trans	69.7	152.5	162.1	-68.4	0	0	0	0	118.3
1941	A	26.1	Very low	27.7	Very low	87 Å²	87	139.5 Å²	139.5	72%	0.719	76%	0.756	S	S	*	*			cis	-160.9	170.4	-16.1	0	0	0	0	0	111.2
1942	L	31	Very low	27.7	Very low	165 Å²	165	139.5 Å²	139.5	86%	0.864	76%	0.756	S	S	*	*			trans	-65.6	144.7	163.5	-69.7	165.1	0	0	0	111.5
1943	P	28.8	Very low	27.8	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	76%	0.758	S	S	*	*			trans	-112.7	144.2	147.2	3.4	17.6	0	0	0	111.9
1944	N	25.1	Very low	27.8	Very low	149 Å²	149	141.3 Å²	141.3	80%	0.797	76%	0.763	S	S	*	*			trans	-79.5	171	-179.6	-62.5	-76.3	0	0	0	112.9
1945	L	28.1	Very low	27.8	Very low	156 Å²	156	143.1 Å²	143.1	82%	0.817	77%	0.767	S	S	*	*			trans	-55.9	150.6	164.7	-64.2	79.6	0	0	0	111.6
1946	P	26.8	Very low	27.7	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	76%	0.764	S	S	*	*			trans	-107.5	148.2	138.1	34.2	-28.7	0	0	0	111.3
1947	N	24.4	Very low	27.5	Very low	145 Å²	145	142.7 Å²	142.7	78%	0.775	77%	0.772	S	S	*	*			trans	-84.7	163	173.8	-82.3	-52.5	0	0	0	112.4
1948	S	25.8	Very low	27.6	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	78%	0.783	S	S	*	*			trans	92.5	131	143.9	85	0	0	0	0	119.4
1949	R	25.4	Very low	27.4	Very low	221 Å²	221	144 Å²	144	83%	0.834	78%	0.779	S	S	*	*			trans	66.9	134.5	137.8	-78.5	176.2	-175.2	162.2	-0.5	117.2
1950	D	30.7	Very low	27.5	Very low	131 Å²	131	143 Å²	143	70%	0.701	78%	0.781	S	S	*	*			cis	-134.2	158	20	-71.8	-60	0	0	0	113.7
1951	D	27	Very low	27.7	Very low	142 Å²	142	144.4 Å²	144.4	76%	0.759	78%	0.78	S	S	*	*			trans	2.5	128.8	145.1	-48.2	-22.7	0	0	0	117.9
1952	D	30.9	Very low	27.8	Very low	147 Å²	147	147.8 Å²	147.8	79%	0.786	78%	0.784	S	S	*	*				-161.6	157.6	82.4	-130.6	-27.2	0	0	0	115.7
1953	L	27.5	Very low	27.6	Very low	138 Å²	138	146.8 Å²	146.8	72%	0.723	78%	0.779	S	S	*	*			trans	-56.7	145.2	-174.7	-62.6	152.3	0	0	0	115.9
1954	I	31.7	Very low	27.5	Very low	168 Å²	168	148.5 Å²	148.5	86%	0.862	78%	0.779	S	S	*	*				-163.4	147.2	102.1	-96.6	157.4	0	0	0	110.8
1955	H	27.4	Very low	27.7	Very low	160 Å²	160	148.4 Å²	148.4	74%	0.741	78%	0.777	S	S	*	*			trans	-74.4	155.1	-171.2	-113.2	-111.1	0	0	0	113.9
1956	P	29.8	Very low	27.7	Very low	106 Å²	106	147.8 Å²	147.8	69%	0.688	77%	0.774	S	S	*	*			trans	-67.5	138.9	161	31.1	-34.7	0	0	0	110.8
1957	N	24.4	Very low	27.7	Very low	159 Å²	159	149.8 Å²	149.8	85%	0.85	77%	0.772	S	S	*	*			trans	-140.3	148.4	148.5	-96.8	-25.5	0	0	0	106.4
1958	E	27.7	Very low	28	Very low	182 Å²	182	150.3 Å²	150.3	85%	0.85	77%	0.771	S	S	*	*			trans	74.3	0	-166.3	-51.1	-160	166.3	0	0	115.2	P1562	P1562-E1958 VanDerWaalsContact CB-CA 3.48Å; P1562-E1958 HydrophobicContact CB-CB 3.57Å; P1562-E1958 HydrophobicContact CB-CG 3.74Å; P1562-E1958 HydrophobicContact CG-CG 4.22Å

Retrieved 1,958 of 1,958 residues in 2479.8 ms (Link to these results)

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