A0A087Y3M7_POEFO Loading...

Inactive rhomboid protein

Regulates ADAM17 protease, a sheddase of the epidermal growth factor (EGF) receptor ligands and TNF, thereby plays a role in sleep, cell survival, proliferation, migration and inflammation. Does not exhibit any protease activity on its own.

AlphaFold DB , UniProt , Accession A0A087Y3M7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 826 aa.

						>A0A087Y3M7_POEFO|A0A087Y3M7
MDPQVGGEPPPYGGQGDSRLKSKKPPSLTIAIPPPSYTMSADSARQPLRPSLKKSVSNRGPGSTSDSFAGGDDGDFSARDRRSKFGRQTSLSQSIRKNAAEWFGVGEDCETKQQLWHRKSLRHCSQRYGKLKAQYREPETASTLDQNPDSPATSKLRKIVDPLARGRAFRYPDEMDSLPKTPHTVHGGPFTPGITSLSSFTSQRSGCSRLPRRKRESVARMSIRAASNLLRGRSGLADSHSTRGFTRRSFIQNNWIDEDTVDSGDTTSASLFFSKVDAEMYSMADDVFESPPMSASPASTKKFPSLKDVSVKTPIAVPEKGLPPRGRRIASQVKHFAFDKQKRDYGMGVVGKWLNRNYRRSLSSNVQKQLEDFHSHRPYFTYWITFVHVIITLLACCTYGFAPVGFSQRSKTELVLKNKGIYESVKFIQQENFWIGPSSDDLIHLGAKFSPCMRQDKQIVRMIQKDKDLERESGCCIQNDNSGCVQTLRADCSETLATFTKRNNDTTDRSSGAVCHQDPRLCEEPASSFPHVWPEDITRWPICTHPRKFNNTGLKHMDCTIKGRPCCISTKGRCEITTREYCTFMHGYFHEEATLCSQVHCLADVCGLLPFLNPDVPDQFYRLWLSLFLHAGLFHCVVSVVFQMTVLRDLEKLAGWARISIIYIFSGLTGNLASALFLPYRAEVGPAGSQFGLLACLFVELFQGWQMLEKPWKAFLKLLGVVLFLFLCGLLPWIDNIAHIFGFIGGLLLSFAILPYVTFGTFDKYRKRILIVVSLVFYVGLFSSLVVWFYVYPINLHWLEHLTCLPFTSKFCEKYDIDHNINDVEH
					

Structure Viewer

Loading PAE data...

(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	31.4	Very low	38.2	Very low	241 Å²	241	132.6 Å²	132.6	100%	1.187	80%	0.797	S	S	*	*				0	108.8	0	-82.1	176.9	165.1	0	0	106
2	D	31.3	Very low	37.4	Very low	156 Å²	156	140.3 Å²	140.3	83%	0.834	80%	0.804	S	S	*	*			trans	-95	-176.8	179.1	-61.2	-72.4	0	0	0	110.2
3	P	58.9	Low	36.6	Very low	111 Å²	111	135.6 Å²	135.6	72%	0.721	81%	0.806	S	S	*	*			cis	-119.1	-147.8	-2	33.3	-10	0	0	0	111
4	Q	38.2	Very low	35.9	Very low	165 Å²	165	131.7 Å²	131.7	77%	0.771	81%	0.808	S	S	*	*			cis	-163	176.3	7.8	-146.1	174.7	60.3	0	0	106.8
5	V	35.9	Very low	35.4	Very low	122 Å²	122	137 Å²	137	74%	0.739	82%	0.82	S	S	*	*			cis	-147.4	169.1	8.1	-141.3	0	0	0	0	104.8
6	G	27.5	Very low	35	Very low	72 Å²	72	133 Å²	133	74%	0.742	82%	0.816	S	S	*	*			cis	97.7	125.2	8.4	0	0	0	0	0	113.5
7	G	27	Very low	34.5	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	82%	0.819	S	S	*	*			cis	164.4	143.1	-12	0	0	0	0	0	114.3
8	E	30.7	Very low	34.3	Very low	190 Å²	190	133.9 Å²	133.9	89%	0.888	82%	0.82	S	S	*	*			trans	65.1	167	155.1	-85.6	-158.2	111.1	0	0	121.1
9	P	41.2	Very low	34.2	Very low	109 Å²	109	139.3 Å²	139.3	71%	0.708	82%	0.824	S	S	*	*			cis	-133.5	-127.4	-30.6	41.1	-20.6	0	0	0	114.1
10	P	51.9	Low	34.1	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	83%	0.828	S	S	*	*			trans	-119.6	-167	-151.6	40.8	-16.2	0	0	0	114.1
11	P	45.7	Very low	33.9	Very low	109 Å²	109	144 Å²	144	71%	0.708	83%	0.831	S	S	*	*				-161	-171.7	83.3	38.2	-13.3	0	0	0	118.4
12	Y	29.7	Very low	34	Very low	224 Å²	224	138.3 Å²	138.3	88%	0.878	82%	0.815	S	S	*	*			trans	70.1	95.9	158.6	-79.9	-72.2	0	0	0	124.1
13	G	26.7	Very low	34	Very low	80 Å²	80	140.7 Å²	140.7	83%	0.825	82%	0.817	S	S	*	*				49.7	122.5	104.5	0	0	0	0	0	123.4
14	G	26.3	Very low	32.9	Very low	81 Å²	81	144.6 Å²	144.6	84%	0.835	82%	0.823	S	S	*	*			trans	-166.7	133.5	160.4	0	0	0	0	0	112.9
15	Q	29.1	Very low	32.9	Very low	211 Å²	211	142 Å²	142	99%	0.986	82%	0.821	S	S	*	*			trans	-92.4	151.2	-180	-76.9	179.8	-59.9	0	0	113.1
16	G	28.2	Very low	32.9	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	82%	0.824	S	S	*	*			trans	-161.4	123.9	167.2	0	0	0	0	0	111.7
17	D	26.9	Very low	33	Very low	162 Å²	162	143.5 Å²	143.5	87%	0.866	82%	0.822	S	S	*	*			trans	-72	124.6	-168.6	-84.2	-69	0	0	0	115.2	R19	D17-R19 PolarHBondContact O-N 3.15Å
18	S	30.3	Very low	33.1	Very low	121 Å²	121	147.9 Å²	147.9	85%	0.846	83%	0.828	S	S	*	*			trans	-99.7	64.9	174.4	51.9	0	0	0	0	112.7
19	R	32.2	Very low	33	Very low	236 Å²	236	144.4 Å²	144.4	89%	0.891	82%	0.82	S	S	*	*			trans	-115.2	74.5	177.4	-92.3	-168.8	170	-162.1	2.2	114.6	D17	D17-R19 PolarHBondContact O-N 3.15Å
20	L	33.3	Very low	32.4	Very low	175 Å²	175	146.3 Å²	146.3	92%	0.916	82%	0.822	S	S	*	*			trans	-138.1	114.2	156.5	-106.7	168.5	0	0	0	110.8
21	K	29.8	Very low	31.4	Very low	202 Å²	202	145.2 Å²	145.2	88%	0.878	82%	0.822	S	S	*	*			trans	-68.9	130.3	-174	-65	178.8	178	-179.6	0	111.1	K23	K21-K23 PolarHBondContact O-N 3.46Å
22	S	33.3	Very low	30.8	Very low	121 Å²	121	147 Å²	147	85%	0.846	83%	0.825	S	S	*	*			trans	-64.1	112.9	171.3	45.4	0	0	0	0	110.8	K24	S22-K24 PolarHBondContact O-N 3.21Å
23	K	31.9	Very low	31	Very low	206 Å²	206	141.5 Å²	141.5	90%	0.896	82%	0.816	S	S	*	*			trans	-76.7	108	170	-75.4	-175.9	175.5	179.6	0	108.9	K21	K21-K23 PolarHBondContact O-N 3.46Å
24	K	34.4	Very low	31.6	Very low	193 Å²	193	143.1 Å²	143.1	84%	0.839	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-53.9	136.3	161.5	-83.3	-176.4	171.4	-179	0	109.1	S22	S22-K24 PolarHBondContact O-N 3.21Å
25	P	38.9	Very low	31.7	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-64.6	150.6	162.9	29.8	-33.6	0	0	0	109.5
26	P	35.1	Very low	31.7	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.8	135	-179.1	28.3	-34.3	0	0	0	111.3	L28	P26-L28 PolarHBondContact O-N 3.02Å
27	S	30.7	Very low	31.8	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.5	119.7	172.3	50.9	0	0	0	0	110.6	T29	S27-T29 VanDerWaalsContact C-N 3.25Å; S27-T29 PolarHBondContact O-N 3.23Å
28	L	28.6	Very low	31.7	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	80%	0.803	S	S	*	*			trans	-75.5	78	169.5	-90.9	165.4	0	0	0	110.3	P26 I30	P26-L28 PolarHBondContact O-N 3.02Å; L28-I30 PolarHBondContact O-N 3.39Å; L28-I30 VanDerWaalsContact O-N 3.11Å
29	T	28.9	Very low	31.5	Very low	117 Å²	117	148.9 Å²	148.9	72%	0.718	81%	0.806	S	S	*	*			trans	-74.2	97.3	173.9	-48.5	0	0	0	0	109.6	S27 A31	S27-T29 VanDerWaalsContact C-N 3.25Å; S27-T29 PolarHBondContact O-N 3.23Å; T29-A31 PolarHBondContact O-N 2.92Å
30	I	29.5	Very low	31.2	Very low	148 Å²	148	142.9 Å²	142.9	76%	0.759	80%	0.8	S	S	*	*			trans	-74.4	95.9	172.7	-60.2	176.8	0	0	0	108.2	L28 I32	L28-I30 PolarHBondContact O-N 3.39Å; L28-I30 VanDerWaalsContact O-N 3.11Å; I30-I32 HydrophobicContact CG2-CG1 4.41Å; I30-I32 PolarHBondContact O-N 3Å
31	A	29.7	Very low	31	Very low	88 Å²	88	138.5 Å²	138.5	73%	0.727	79%	0.789	S	S	*	*			trans	-73.4	106.3	171.8	0	0	0	0	0	109.8	T29 P33	T29-A31 PolarHBondContact O-N 2.92Å; A31-P33 WeakPolarHBondContact O-CD 3.35Å
32	I	34.3	Very low	30.8	Very low	147 Å²	147	136.4 Å²	136.4	75%	0.754	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-80.5	118.6	170.9	-57.4	175.2	0	0	0	107.6	I30	I30-I32 HydrophobicContact CG2-CG1 4.41Å; I30-I32 PolarHBondContact O-N 3Å
33	P	34	Very low	30.5	Very low	108 Å²	108	135.8 Å²	135.8	70%	0.701	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.7	140.5	174.2	29.5	-33.5	0	0	0	110.3	A31	A31-P33 WeakPolarHBondContact O-CD 3.35Å
34	P	37.3	Very low	30.3	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-68.2	152.3	176	29.6	-35	0	0	0	111.2	S36	P34-S36 PolarHBondContact O-N 3.23Å
35	P	30.1	Very low	30	Very low	118 Å²	118	132.4 Å²	132.4	77%	0.766	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-69	116.1	179.2	28.3	-34	0	0	0	110.8	Y37	P35-Y37 PolarHBondContact O-N 3.47Å
36	S	28.7	Very low	29.5	Very low	118 Å²	118	135.2 Å²	135.2	83%	0.825	79%	0.785	S	S	*	*			trans	-71.3	112.5	174.2	55.7	0	0	0	0	110.6	P34	P34-S36 PolarHBondContact O-N 3.23Å
37	Y	28.9	Very low	29.8	Very low	218 Å²	218	134.3 Å²	134.3	86%	0.855	78%	0.779	S	S	*	*			trans	-63.5	154.2	164.8	-92.4	-97.9	0	0	0	111.5	P35	P35-Y37 PolarHBondContact O-N 3.47Å
38	T	26.8	Very low	29.5	Very low	129 Å²	129	137.7 Å²	137.7	79%	0.791	79%	0.789	S	S	*	*			trans	-61.9	130.9	177.3	46.7	0	0	0	0	112.6
39	M	26	Very low	29.6	Very low	185 Å²	185	141 Å²	141	91%	0.911	79%	0.79	S	S	*	*			trans	-125.5	154.4	150.8	-73.6	-132.3	74.2	0	0	109.8
40	S	25.7	Very low	30	Very low	110 Å²	110	141.3 Å²	141.3	77%	0.769	79%	0.794	S	S	*	*			trans	-106.9	163.1	-163.1	-53.1	0	0	0	0	113
41	A	28.2	Very low	30.1	Very low	84 Å²	84	139 Å²	139	69%	0.694	79%	0.79	S	S	*	*			trans	70.2	122.4	158.1	0	0	0	0	0	118.6
42	D	25.1	Very low	30	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	80%	0.795	S	S	*	*				61	141.6	129.5	-72.5	-41.7	0	0	0	121.4
43	S	27.1	Very low	29.9	Very low	109 Å²	109	144.2 Å²	144.2	76%	0.762	80%	0.798	S	S	*	*			cis	-160.4	-173.3	14.7	41.3	0	0	0	0	113
44	A	29	Very low	29.7	Very low	103 Å²	103	149 Å²	149	85%	0.851	81%	0.807	S	S	*	*			trans	85.8	150	163.9	0	0	0	0	0	118.6
45	R	27.8	Very low	29.4	Very low	224 Å²	224	148 Å²	148	85%	0.845	80%	0.804	S	S	*	*			trans	-130.6	143.6	-171.9	-76.1	178.3	170.2	174.1	-2.5	110.9
46	Q	28.1	Very low	29.5	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	81%	0.809	S	S	*	*			trans	67.4	165.4	143.6	-76.4	177.4	-11.7	0	0	118.7
47	P	41.1	Very low	29.7	Very low	103 Å²	103	148.9 Å²	148.9	67%	0.669	81%	0.806	S	S	*	*			cis	-139.8	-170.7	-34.8	38.1	-20.2	0	0	0	115
48	L	24.5	Very low	29.8	Very low	172 Å²	172	145.5 Å²	145.5	90%	0.901	80%	0.803	S	S	*	*			trans	85.6	159	157.2	-67	166.2	0	0	0	120.9
49	R	30.7	Very low	29.9	Very low	237 Å²	237	151.5 Å²	151.5	89%	0.894	81%	0.811	S	S	*	*			trans	-117.6	173.3	-177	-56.8	171.4	169.4	170.1	-5.7	110
50	P	38.4	Very low	30	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	80%	0.8	S	S	*	*				-162.5	159.1	96.6	40.7	-20.7	0	0	0	120.8
51	S	30	Very low	31.3	Very low	99 Å²	99	147.4 Å²	147.4	69%	0.692	81%	0.808	S	S	*	*			trans	64.2	165.5	146	-122.2	0	0	0	0	121.9
52	L	29.1	Very low	31.3	Very low	157 Å²	157	146.8 Å²	146.8	82%	0.822	81%	0.809	S	S	*	*			cis	-130.7	170.7	-1.3	-71.6	88.5	0	0	0	110.7
53	K	32.4	Very low	31.4	Very low	188 Å²	188	144.5 Å²	144.5	82%	0.817	81%	0.806	S	S	*	*			cis	110.8	76.1	-10	-156.2	-170.6	-173	-174	0	120.6
54	K	29	Very low	31.5	Very low	207 Å²	207	145.2 Å²	145.2	90%	0.9	81%	0.806	S	S	*	*			trans	-167.6	153.7	157.5	-104	-178	-177.1	-178.2	0	111.8
55	S	30.7	Very low	31.5	Very low	96 Å²	96	145 Å²	145	67%	0.671	80%	0.798	S	S	*	*			cis	-165.9	138.3	-12.5	29	0	0	0	0	108.7
56	V	31.7	Very low	31.6	Very low	144 Å²	144	141 Å²	141	87%	0.873	79%	0.794	S	S	*	*				70.1	128	70.6	173.8	0	0	0	0	112.4
57	S	33.2	Very low	31.7	Very low	109 Å²	109	137 Å²	137	76%	0.762	78%	0.784	S	S	*	*			cis	-151.9	-176.5	27.9	-165.2	0	0	0	0	116.8
58	N	31.1	Very low	31	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	79%	0.794	S	S	*	*			trans	-72	164.3	179.2	-57.8	-27.9	0	0	0	119.4
59	R	28.8	Very low	31.2	Very low	254 Å²	254	138.1 Å²	138.1	96%	0.958	79%	0.79	S	S	*	*				-179	172.1	115.6	-101.4	-177.9	-179.2	-169.3	0.9	114.3
60	G	27.8	Very low	31	Very low	67 Å²	67	130.7 Å²	130.7	69%	0.691	79%	0.788	S	S	*	*			trans	-166.2	-159.2	170.1	0	0	0	0	0	108.7
61	P	54.6	Low	30.6	Very low	142 Å²	142	128.5 Å²	128.5	92%	0.922	79%	0.788	S	S	*	*			cis	-124.5	176.3	-28.6	41.1	-27	0	0	0	113.2
62	G	26.8	Very low	30.6	Very low	71 Å²	71	131.5 Å²	131.5	73%	0.732	80%	0.796	S	S	*	*			trans	176.3	118.3	170.3	0	0	0	0	0	119.6
63	S	27.7	Very low	30.7	Very low	110 Å²	110	132.2 Å²	132.2	77%	0.769	80%	0.8	S	S	*	*			trans	29.7	137	141.3	59	0	0	0	0	126.3
64	T	28.5	Very low	30.6	Very low	123 Å²	123	126.5 Å²	126.5	76%	0.755	80%	0.795	S	S	*	*			trans	75.9	120	133.2	51.4	0	0	0	0	125.1
65	S	30.2	Very low	30.5	Very low	98 Å²	98	123.8 Å²	123.8	69%	0.685	79%	0.79	S	S	*	*				68.9	126.4	128.5	68	0	0	0	0	124.5
66	D	30	Very low	30.5	Very low	142 Å²	142	128.2 Å²	128.2	76%	0.759	80%	0.798	S	S	*	*				82.2	109.1	125	-71.3	36.5	0	0	0	124.7
67	S	28.7	Very low	30.4	Very low	87 Å²	87	127.3 Å²	127.3	61%	0.608	80%	0.798	S	S	*	*				92.4	144.9	115.1	-62	0	0	0	0	123
68	F	27.5	Very low	30.5	Very low	199 Å²	199	126.3 Å²	126.3	87%	0.873	80%	0.796	S	S	*	*			trans	61.8	125.9	172.3	-61.3	-71.1	0	0	0	116.7
69	A	28.7	Very low	30.4	Very low	99 Å²	99	131.4 Å²	131.4	82%	0.818	80%	0.804	S	S	*	*				64.9	132.2	69.4	0	0	0	0	0	113.2
70	G	27.1	Very low	30.5	Very low	82 Å²	82	125.4 Å²	125.4	85%	0.845	79%	0.791	S	S	*	*			cis	171	167.8	-3.5	0	0	0	0	0	109.9
71	G	28.9	Very low	30.8	Very low	77 Å²	77	132.4 Å²	132.4	79%	0.794	80%	0.797	S	S	*	*			trans	146.9	161.2	174.9	0	0	0	0	0	115.7
72	D	29.5	Very low	29.8	Very low	161 Å²	161	137.6 Å²	137.6	86%	0.861	80%	0.798	S	S	*	*			trans	-61	157.1	175.1	-65.8	-57.6	0	0	0	112.2
73	D	31.7	Very low	30	Very low	172 Å²	172	138.7 Å²	138.7	92%	0.92	79%	0.794	S	S	*	*				-157.5	175.9	66.8	-125.1	-43.1	0	0	0	114.3
74	G	29.8	Very low	30.3	Very low	68 Å²	68	142.6 Å²	142.6	70%	0.701	80%	0.798	S	S	*	*			trans	-108	-167.1	-160.3	0	0	0	0	0	120.2
75	D	28.5	Very low	30.6	Very low	151 Å²	151	145.4 Å²	145.4	81%	0.807	80%	0.8	S	S	*	*			trans	89.4	171.3	163.2	-136.4	64.9	0	0	0	121
76	F	29.4	Very low	31.1	Very low	188 Å²	188	144.5 Å²	144.5	83%	0.825	81%	0.806	S	S	*	*			trans	-81.8	139.5	-147.8	-77.3	-105.5	0	0	0	116.2
77	S	30.7	Very low	31.9	Very low	125 Å²	125	148.7 Å²	148.7	87%	0.874	81%	0.811	S	S	*	*				173.3	171.5	102.3	-165.1	0	0	0	0	112.2
78	A	34.1	Very low	32.8	Very low	89 Å²	89	150.8 Å²	150.8	74%	0.736	81%	0.811	S	S	*	*			trans	-114.6	122.6	-164.3	0	0	0	0	0	115.3
79	R	30.3	Very low	33.8	Very low	254 Å²	254	147 Å²	147	96%	0.958	80%	0.804	S	S	*	*			trans	-170.6	140.6	138	-116.3	170.1	176.1	142.9	-1	117.1
80	D	30.9	Very low	34.9	Very low	128 Å²	128	146.4 Å²	146.4	68%	0.684	79%	0.794	S	S	*	*			trans	86.7	156	138.8	-147.4	18.2	0	0	0	122.2
81	R	33	Very low	36.2	Very low	214 Å²	214	147.6 Å²	147.6	81%	0.808	78%	0.781	S	S	*	*			trans	71.1	75.5	163.6	-69.5	165.7	-162.9	-146.8	-2.4	120.6
82	R	33	Very low	37.7	Very low	252 Å²	252	147.3 Å²	147.3	95%	0.951	77%	0.767	S	S	*	*			trans	-54.9	136.7	152.3	-172.2	-177	-159.6	152.7	6.5	112
83	S	32.9	Very low	39.2	Very low	93 Å²	93	146.6 Å²	146.6	65%	0.65	76%	0.758	S	S	*	*			trans	-113	172.4	177.4	66.2	0	0	0	0	113.7
84	K	33.3	Very low	40.9	Very low	193 Å²	193	141.4 Å²	141.4	84%	0.839	74%	0.735	S	S	*	*			trans	70.2	97.8	169.2	-58.6	173.9	-176.4	174.8	0	117.7
85	F	33.9	Very low	42.9	Very low	181 Å²	181	143 Å²	143	79%	0.794	73%	0.727	S	S	*	*			trans	-136.6	115.6	142.3	-118.9	-91.8	0	0	0	109	Q88	F85-Q88 HydrophobicContact CD1-CG 4.4Å; F85-Q88 HydrophobicContact CE1-CG 4.37Å
86	G	41.4	Very low	44.6	Very low	79 Å²	79	145.6 Å²	145.6	81%	0.814	73%	0.725	S	S	*	*			trans	-155.8	45.5	-168.5	0	0	0	0	0	113.2
87	R	45.7	Very low	46.3	Very low	231 Å²	231	142.9 Å²	142.9	87%	0.872	71%	0.713	S	S	*	*			trans	-149.5	17.8	-174	-134.1	177.3	-170.5	-178	2.8	115.7
88	Q	47.9	Very low	48	Very low	130 Å²	130	141.2 Å²	141.2	61%	0.607	69%	0.694	S	S	*	*			trans	-107.7	-10	-171.6	-78	178.8	-39.2	0	0	115.7	F85 S90 L91 S92	F85-Q88 HydrophobicContact CD1-CG 4.4Å; F85-Q88 HydrophobicContact CE1-CG 4.37Å; Q88-S90 PolarHBondContact O-N 3.38Å; Q88-L91 PolarHBondContact O-N 3.46Å; Q88-S92 PolarHBondContact O-N 2.86Å
89	T	49	Very low	49.5	Very low	119 Å²	119	138.7 Å²	138.7	73%	0.73	67%	0.673	S	S	*	*	H	α-helix	trans	-73.8	-23.1	-169.9	45	0	0	0	0	115.5	S92	T89-S92 PolarHBondContact O-OG 3.44Å
90	S	52.9	Low	51.1	Low	87 Å²	87	128 Å²	128	61%	0.608	64%	0.64	S	S	*	*	H	α-helix	trans	-81	-34.3	174.7	53.7	0	0	0	0	112.8	Q88 Q93 S94	Q88-S90 PolarHBondContact O-N 3.38Å; S90-Q93 PolarHBondContact O-N 2.96Å; S90-S94 PolarHBondContact O-N 3.01Å
91	L	54.5	Low	52.5	Low	108 Å²	108	126.1 Å²	126.1	57%	0.565	63%	0.627	S	S	*	*	H	α-helix	trans	-71	-38.3	-176	-143.5	166.5	0	0	0	110.9	Q88 Q93 S94 I95	Q88-L91 PolarHBondContact O-N 3.46Å; L91-Q93 PolarHBondContact O-N 2.71Å; L91-S94 PolarHBondContact O-N 2.83Å; L91-I95 HydrophobicContact CD2-CD1 3.49Å; L91-I95 VanDerWaalsContact CD2-CD1 3.49Å; L91-I95 HydrophobicContact CD2-CG1 4Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.13Å
92	S	60.4	Low	53.8	Low	71 Å²	71	125.6 Å²	125.6	50%	0.497	63%	0.625	S	S	.	*	H	α-helix	trans	-64.5	-36.7	174.7	58.3	0	0	0	0	113.2	Q88 T89 R96	Q88-S92 PolarHBondContact O-N 2.86Å; T89-S92 PolarHBondContact O-OG 3.44Å; S92-R96 WeakPolarHBondContact O-CB 3.44Å; S92-R96 PolarHBondContact O-N 3.5Å
93	Q	60.8	Low	54.8	Low	145 Å²	145	120.7 Å²	120.7	68%	0.678	61%	0.611	S	S	*	*	H	α-helix	trans	-67.3	-41.5	174.8	-71	-175.5	-13.3	0	0	112.1	S90 L91 R96 K97	S90-Q93 PolarHBondContact O-N 2.96Å; L91-Q93 PolarHBondContact O-N 2.71Å; Q93-R96 PolarHBondContact O-N 2.81Å; Q93-K97 PolarHBondContact O-N 3.37Å
94	S	67.4	Low	55.6	Low	63 Å²	63	118.1 Å²	118.1	44%	0.441	60%	0.599	S	S	.	*	H	α-helix	trans	-61.7	-47	174.9	-176	0	0	0	0	111.7	S90 L91 R96 K97 N98	S90-S94 PolarHBondContact O-N 3.01Å; L91-S94 PolarHBondContact O-N 2.83Å; S94-R96 VanDerWaalsContact C-N 3.34Å; S94-R96 PolarHBondContact O-N 3.22Å; S94-K97 PolarHBondContact O-N 2.86Å; S94-N98 WeakPolarHBondContact O-CB 3.43Å; S94-N98 PolarHBondContact O-N 3.43Å; S94-N98 PolarHBondContact O-ND2 2.96Å
95	I	70.2	Confident	57	Low	103 Å²	103	114.3 Å²	114.3	53%	0.528	59%	0.592	S	S	.	*	H	α-helix	trans	-60.4	-43	174.4	-69.5	170.4	0	0	0	111	L91 K97 N98 A99	L91-I95 HydrophobicContact CD2-CD1 3.49Å; L91-I95 VanDerWaalsContact CD2-CD1 3.49Å; L91-I95 HydrophobicContact CD2-CG1 4Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.13Å; I95-K97 PolarHBondContact O-N 3.31Å; I95-N98 PolarHBondContact O-N 2.99Å; I95-A99 VanDerWaalsContact O-CB 3.24Å; I95-A99 WeakPolarHBondContact O-CB 3.44Å; I95-A99 PolarHBondContact O-N 3.35Å
96	R	64.8	Low	58.6	Low	204 Å²	204	106.8 Å²	106.8	77%	0.77	57%	0.565	S	S	*	*	H	α-helix	trans	-63.3	-39.8	178.6	-159.8	-177.9	90.3	177.1	7.7	112.3	S92 Q93 S94 A100	S92-R96 WeakPolarHBondContact O-CB 3.44Å; S92-R96 PolarHBondContact O-N 3.5Å; Q93-R96 PolarHBondContact O-N 2.81Å; S94-R96 VanDerWaalsContact C-N 3.34Å; S94-R96 PolarHBondContact O-N 3.22Å; R96-A100 WeakPolarHBondContact O-CB 3.36Å; R96-A100 PolarHBondContact O-N 2.92Å
97	K	66.2	Low	59.5	Low	131 Å²	131	112.9 Å²	112.9	57%	0.57	57%	0.572	S	S	*	*	H	α-helix	trans	-67.6	-48.4	176.1	-175.2	169	-179.1	169.6	0	111.5	Q93 S94 I95 A99 A100 E101	Q93-K97 PolarHBondContact O-N 3.37Å; S94-K97 PolarHBondContact O-N 2.86Å; I95-K97 PolarHBondContact O-N 3.31Å; K97-A99 VanDerWaalsContact C-N 3.3Å; K97-A99 PolarHBondContact O-N 2.9Å; K97-A100 PolarHBondContact O-N 3.46Å; K97-A100 VanDerWaalsContact O-N 3.15Å; K97-E101 PolarHBondContact O-N 3.27Å
98	N	65.7	Low	60.2	Low	90 Å²	90	105.7 Å²	105.7	48%	0.481	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-36.6	179.7	-64.5	-13.3	0	0	0	111.8	S94 I95 W102	S94-N98 WeakPolarHBondContact O-CB 3.43Å; S94-N98 PolarHBondContact O-N 3.43Å; S94-N98 PolarHBondContact O-ND2 2.96Å; I95-N98 PolarHBondContact O-N 2.99Å; N98-W102 VanDerWaalsContact O-CB 3.31Å; N98-W102 WeakPolarHBondContact O-CB 3.36Å; N98-W102 PolarHBondContact O-N 2.99Å
99	A	65.8	Low	60.9	Low	36 Å²	36	101.1 Å²	101.1	30%	0.298	53%	0.533	S	S	.	.	H	α-helix	trans	-65.5	-45.9	172.2	0	0	0	0	0	111.6	I95 K97 E101 W102 F103	I95-A99 VanDerWaalsContact O-CB 3.24Å; I95-A99 WeakPolarHBondContact O-CB 3.44Å; I95-A99 PolarHBondContact O-N 3.35Å; K97-A99 VanDerWaalsContact C-N 3.3Å; K97-A99 PolarHBondContact O-N 2.9Å; A99-E101 VanDerWaalsContact C-N 3.31Å; A99-E101 PolarHBondContact O-N 3.13Å; A99-W102 PolarHBondContact O-N 3.06Å; A99-W102 VanDerWaalsContact O-N 3.12Å; A99-F103 HydrophobicContact CB-CD2 4.44Å; A99-F103 VanDerWaalsContact O-CD2 3.29Å; A99-F103 WeakPolarHBondContact O-CD2 3.36Å; A99-F103 PolarHBondContact O-N 3.48Å
100	A	63.5	Low	61.6	Low	31 Å²	31	102.5 Å²	102.5	26%	0.256	53%	0.531	S	S	.	.	H	α-helix	trans	-60	-38.9	176.3	0	0	0	0	0	112.3	R96 K97 G104 V105 G106	R96-A100 WeakPolarHBondContact O-CB 3.36Å; R96-A100 PolarHBondContact O-N 2.92Å; K97-A100 PolarHBondContact O-N 3.46Å; K97-A100 VanDerWaalsContact O-N 3.15Å; A100-G104 PolarHBondContact O-N 2.89Å; A100-V105 CarbonylContact O-C 3.59Å; A100-V105 PolarHBondContact O-N 3.46Å; A100-G106 PolarHBondContact O-N 2.92Å
101	E	60.5	Low	62.3	Low	87 Å²	87	102.1 Å²	102.1	41%	0.407	53%	0.526	S	S	.	.	H	α-helix	trans	-68.4	-37.2	172.7	-68.4	-165.7	128.2	0	0	112.9	K97 A99 G104 K112	K97-E101 PolarHBondContact O-N 3.27Å; A99-E101 VanDerWaalsContact C-N 3.31Å; A99-E101 PolarHBondContact O-N 3.13Å; E101-G104 PolarHBondContact O-N 2.98Å; E101-K112 IonicContact OE1-NZ 2.97Å; E101-K112 PolarHBondContact OE1-NZ 3.26Å
102	W	59.4	Low	62.9	Low	204 Å²	204	101.4 Å²	101.4	77%	0.773	52%	0.518	S	S	*	.	H	α-helix	trans	-70.1	-37.9	179	-167.2	93	0	0	0	113.1	N98 A99	N98-W102 VanDerWaalsContact O-CB 3.31Å; N98-W102 WeakPolarHBondContact O-CB 3.36Å; N98-W102 PolarHBondContact O-N 2.99Å; A99-W102 PolarHBondContact O-N 3.06Å; A99-W102 VanDerWaalsContact O-N 3.12Å
103	F	53.8	Low	63.2	Low	149 Å²	149	104.3 Å²	104.3	65%	0.654	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	0.7	177.2	-75.2	-76.4	0	0	0	113.9	A99 V105	A99-F103 HydrophobicContact CB-CD2 4.44Å; A99-F103 VanDerWaalsContact O-CD2 3.29Å; A99-F103 WeakPolarHBondContact O-CD2 3.36Å; A99-F103 PolarHBondContact O-N 3.48Å; F103-V105 HydrophobicContact CB-CG2 3.97Å
104	G	50.5	Low	63.6	Low	39 Å²	39	103.3 Å²	103.3	40%	0.402	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	26.2	178.2	0	0	0	0	0	115.2	A100 E101 C109	A100-G104 PolarHBondContact O-N 2.89Å; E101-G104 PolarHBondContact O-N 2.98Å; G104-C109 PolarHBondContact O-SG 3.08Å; G104-C109 VanDerWaalsContact O-SG 3.34Å
105	V	62.8	Low	63.7	Low	113 Å²	113	105.5 Å²	105.5	69%	0.685	53%	0.525	S	S	*	.			trans	-113.5	20.3	-177	-150.2	0	0	0	0	112	A100 F103	A100-V105 CarbonylContact O-C 3.59Å; A100-V105 PolarHBondContact O-N 3.46Å; F103-V105 HydrophobicContact CB-CG2 3.97Å
106	G	66.7	Low	63.3	Low	22 Å²	22	110.2 Å²	110.2	23%	0.227	54%	0.536	C	S	.	.	S	Bend	trans	-92.8	152.7	175	0	0	0	0	0	112.7	A100 D108 C109	A100-G106 PolarHBondContact O-N 2.92Å; G106-D108 PolarHBondContact O-N 3.11Å; G106-D108 VanDerWaalsContact O-N 3.13Å; G106-C109 VanDerWaalsContact O-CB 3.24Å; G106-C109 WeakPolarHBondContact O-CB 3.45Å; G106-C109 PolarHBondContact O-N 3.18Å
107	E	60.9	Low	63.3	Low	207 Å²	207	105.6 Å²	105.6	97%	0.967	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.9	-175.7	-64.4	166.1	143.6	0	0	113.6
108	D	60.1	Low	63.5	Low	80 Å²	80	105.3 Å²	105.3	43%	0.428	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	10.3	176.9	-55.6	-43.5	0	0	0	114.5	G106 E110 T111 K112	G106-D108 PolarHBondContact O-N 3.11Å; G106-D108 VanDerWaalsContact O-N 3.13Å; D108-E110 PolarHBondContact O-N 3.45Å; D108-T111 PolarHBondContact O-OG1 3.34Å; D108-T111 VanDerWaalsContact O-OG1 3.11Å; D108-K112 HydrophobicContact CB-CD 3.79Å; D108-K112 HydrophobicContact CB-CG 4.26Å; D108-K112 WeakPolarHBondContact O-CB 3.32Å; D108-K112 WeakPolarHBondContact O-CG 3.34Å; D108-K112 PolarHBondContact O-N 2.82Å; D108-K112 VanDerWaalsContact O-N 3.1Å; D108-K112 IonicContact OD2-NZ 2.83Å; D108-K112 PolarHBondContact OD2-NZ 3.13Å
109	C	63.1	Low	63.7	Low	35 Å²	35	108.4 Å²	108.4	24%	0.236	53%	0.528	C	S	.	.	H	α-helix	trans	-61.3	-48.7	-166.4	-169.8	0	0	0	0	112.9	G104 G106 T111 K112 Q113	G104-C109 PolarHBondContact O-SG 3.08Å; G104-C109 VanDerWaalsContact O-SG 3.34Å; G106-C109 VanDerWaalsContact O-CB 3.24Å; G106-C109 WeakPolarHBondContact O-CB 3.45Å; G106-C109 PolarHBondContact O-N 3.18Å; C109-T111 PolarHBondContact O-N 3.25Å; C109-K112 PolarHBondContact O-N 3.47Å; C109-Q113 VanDerWaalsContact O-CB 3.26Å; C109-Q113 WeakPolarHBondContact O-CB 3.48Å; C109-Q113 PolarHBondContact O-N 3.1Å
110	E	62.8	Low	63.7	Low	148 Å²	148	108.9 Å²	108.9	69%	0.692	53%	0.529	S	S	*	.	H	α-helix	trans	-63.4	-43.4	-175.6	-60.5	-168.2	150.8	0	0	112.6	D108 Q113 Q114	D108-E110 PolarHBondContact O-N 3.45Å; E110-Q113 PolarHBondContact O-N 3.01Å; E110-Q114 WeakPolarHBondContact O-CB 3.42Å; E110-Q114 VanDerWaalsContact O-CG 3.27Å; E110-Q114 WeakPolarHBondContact O-CG 3.19Å; E110-Q114 PolarHBondContact O-N 2.82Å
111	T	68.6	Low	64	Low	79 Å²	79	109.2 Å²	109.2	49%	0.485	53%	0.526	S	S	.	.	H	α-helix	trans	-68.2	-39.4	178.7	49.8	0	0	0	0	111.7	D108 C109 L115	D108-T111 PolarHBondContact O-OG1 3.34Å; D108-T111 VanDerWaalsContact O-OG1 3.11Å; C109-T111 PolarHBondContact O-N 3.25Å; T111-L115 WeakPolarHBondContact O-CB 3.48Å; T111-L115 VanDerWaalsContact O-CG 3.27Å; T111-L115 WeakPolarHBondContact O-CG 3.24Å; T111-L115 PolarHBondContact O-N 2.85Å
112	K	67.3	Low	64.4	Low	92 Å²	92	113 Å²	113	40%	0.4	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-40.6	172.6	-73.8	170.7	179.7	157.8	0	111.6	E101 D108 C109 L115 W116	E101-K112 IonicContact OE1-NZ 2.97Å; E101-K112 PolarHBondContact OE1-NZ 3.26Å; D108-K112 HydrophobicContact CB-CD 3.79Å; D108-K112 HydrophobicContact CB-CG 4.26Å; D108-K112 WeakPolarHBondContact O-CB 3.32Å; D108-K112 WeakPolarHBondContact O-CG 3.34Å; D108-K112 PolarHBondContact O-N 2.82Å; D108-K112 VanDerWaalsContact O-N 3.1Å; D108-K112 IonicContact OD2-NZ 2.83Å; D108-K112 PolarHBondContact OD2-NZ 3.13Å; C109-K112 PolarHBondContact O-N 3.47Å; K112-L115 PolarHBondContact O-N 3.09Å; K112-W116 PolarHBondContact O-N 3.29Å
113	Q	67.5	Low	64.8	Low	132 Å²	132	108.1 Å²	108.1	62%	0.617	52%	0.523	S	S	*	.	H	α-helix	trans	-67.2	-44.1	177.9	-174.6	170.2	-12.6	0	0	112.2	C109 E110 W116 H117	C109-Q113 VanDerWaalsContact O-CB 3.26Å; C109-Q113 WeakPolarHBondContact O-CB 3.48Å; C109-Q113 PolarHBondContact O-N 3.1Å; E110-Q113 PolarHBondContact O-N 3.01Å; Q113-W116 PolarHBondContact O-N 3.46Å; Q113-H117 WeakPolarHBondContact O-CB 3.42Å; Q113-H117 PolarHBondContact O-N 2.96Å
114	Q	67.8	Low	65.4	Low	125 Å²	125	103.2 Å²	103.2	58%	0.584	51%	0.506	S	S	*	.	H	α-helix	trans	-60.1	-44.6	172.8	-72.9	173.7	14.7	0	0	111.7	E110 W116 H117 R118	E110-Q114 WeakPolarHBondContact O-CB 3.42Å; E110-Q114 VanDerWaalsContact O-CG 3.27Å; E110-Q114 WeakPolarHBondContact O-CG 3.19Å; E110-Q114 PolarHBondContact O-N 2.82Å; Q114-W116 VanDerWaalsContact C-N 3.31Å; Q114-W116 PolarHBondContact O-N 3.45Å; Q114-H117 PolarHBondContact O-N 3.41Å; Q114-R118 WeakPolarHBondContact O-CB 3.43Å; Q114-R118 PolarHBondContact O-N 2.86Å
115	L	69.9	Low	66.5	Low	108 Å²	108	103.3 Å²	103.3	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-61.3	-37.5	175.6	-76.6	168.1	0	0	0	112.6	T111 K112 K119	T111-L115 WeakPolarHBondContact O-CB 3.48Å; T111-L115 VanDerWaalsContact O-CG 3.27Å; T111-L115 WeakPolarHBondContact O-CG 3.24Å; T111-L115 PolarHBondContact O-N 2.85Å; K112-L115 PolarHBondContact O-N 3.09Å; L115-K119 WeakPolarHBondContact O-CG 3.46Å; L115-K119 PolarHBondContact O-N 3.4Å; L115-K119 VanDerWaalsContact O-N 3.1Å
116	W	61.4	Low	66.7	Low	203 Å²	203	105.7 Å²	105.7	77%	0.769	50%	0.504	S	S	*	.	H	α-helix	trans	-69.4	-44.4	176	-137.2	96.5	0	0	0	111.6	K112 Q113 Q114 R118 K119 S120	K112-W116 PolarHBondContact O-N 3.29Å; Q113-W116 PolarHBondContact O-N 3.46Å; Q114-W116 VanDerWaalsContact C-N 3.31Å; Q114-W116 PolarHBondContact O-N 3.45Å; W116-R118 PolarHBondContact O-N 3.22Å; W116-K119 PolarHBondContact O-N 3.2Å; W116-S120 WeakPolarHBondContact O-CB 3.28Å; W116-S120 PolarHBondContact O-N 3.37Å
117	H	64.4	Low	66.5	Low	107 Å²	107	112.6 Å²	112.6	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-58.8	-46.3	175	-171.5	-115.4	0	0	0	111.6	Q113 Q114 K119 S120 L121	Q113-H117 WeakPolarHBondContact O-CB 3.42Å; Q113-H117 PolarHBondContact O-N 2.96Å; Q114-H117 PolarHBondContact O-N 3.41Å; H117-K119 PolarHBondContact O-N 3.41Å; H117-S120 WeakPolarHBondContact O-CB 3.17Å; H117-S120 PolarHBondContact O-N 3.37Å; H117-L121 WeakPolarHBondContact O-CG 3.41Å; H117-L121 PolarHBondContact O-N 2.8Å
118	R	71.3	Confident	66.8	Low	125 Å²	125	111.1 Å²	111.1	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-34.7	178.5	-154.3	174.3	-161.6	-151	2.1	113	Q114 W116 R122 E137	Q114-R118 WeakPolarHBondContact O-CB 3.43Å; Q114-R118 PolarHBondContact O-N 2.86Å; W116-R118 PolarHBondContact O-N 3.22Å; R118-R122 WeakPolarHBondContact O-CB 3.4Å; R118-R122 WeakPolarHBondContact O-CG 3.39Å; R118-R122 PolarHBondContact O-N 2.96Å; R118-R122 VanDerWaalsContact O-N 3.14Å; R118-E137 IonicContact CZ-OE2 3.98Å; R118-E137 IonicContact NE-OE1 2.69Å; R118-E137 IonicContact NE-OE2 2.81Å; R118-E137 PolarHBondContact NE-OE2 3.47Å; R118-E137 IonicContact NH2-OE2 3.91Å; R118-E137 PolarHBondContact NH2-OE2 3.23Å
119	K	70.4	Confident	67.4	Low	154 Å²	154	109.1 Å²	109.1	67%	0.67	51%	0.509	S	S	*	.	H	α-helix	trans	-67.7	-43.7	170.5	-79.5	178.4	177.4	177.1	0	112	L115 W116 H117 R122 H123	L115-K119 WeakPolarHBondContact O-CG 3.46Å; L115-K119 PolarHBondContact O-N 3.4Å; L115-K119 VanDerWaalsContact O-N 3.1Å; W116-K119 PolarHBondContact O-N 3.2Å; H117-K119 PolarHBondContact O-N 3.41Å; K119-R122 PolarHBondContact O-N 3.37Å; K119-H123 PolarHBondContact O-N 2.68Å
120	S	65.3	Low	67.5	Low	47 Å²	47	117.6 Å²	117.6	33%	0.329	54%	0.542	S	S	.	.	H	α-helix	trans	-57.2	-52.4	175	163.9	0	0	0	0	111.6	W116 H117 R122 H123 C124	W116-S120 WeakPolarHBondContact O-CB 3.28Å; W116-S120 PolarHBondContact O-N 3.37Å; H117-S120 WeakPolarHBondContact O-CB 3.17Å; H117-S120 PolarHBondContact O-N 3.37Å; S120-R122 PolarHBondContact O-N 3.49Å; S120-H123 PolarHBondContact O-N 3.06Å; S120-C124 WeakPolarHBondContact O-CB 3.15Å; S120-C124 PolarHBondContact O-N 3.48Å
121	L	69.9	Low	67.7	Low	37 Å²	37	114 Å²	114	19%	0.194	53%	0.527	C	S	.	.	H	α-helix	trans	-60.9	-41.3	178.4	-70.3	177.5	0	0	0	112.6	H117 C124 S125 L131	H117-L121 WeakPolarHBondContact O-CG 3.41Å; H117-L121 PolarHBondContact O-N 2.8Å; L121-C124 PolarHBondContact O-N 2.92Å; L121-S125 WeakPolarHBondContact O-CB 3.41Å; L121-S125 PolarHBondContact O-N 3.36Å; L121-S125 PolarHBondContact O-OG 2.77Å; L121-S125 VanDerWaalsContact O-OG 3.14Å; L121-L131 HydrophobicContact CB-CD1 4.2Å; L121-L131 HydrophobicContact CD2-CD1 4.07Å; L121-L131 HydrophobicContact CD2-CD2 4.34Å
122	R	68.4	Low	67.6	Low	166 Å²	166	117.3 Å²	117.3	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-59.4	-49.3	173	-80.5	-177.9	172.3	-168.1	-2.4	111.7	R118 K119 S120 S125 Q126	R118-R122 WeakPolarHBondContact O-CB 3.4Å; R118-R122 WeakPolarHBondContact O-CG 3.39Å; R118-R122 PolarHBondContact O-N 2.96Å; R118-R122 VanDerWaalsContact O-N 3.14Å; K119-R122 PolarHBondContact O-N 3.37Å; S120-R122 PolarHBondContact O-N 3.49Å; R122-S125 PolarHBondContact O-N 2.83Å; R122-S125 PolarHBondContact O-OG 3.12Å; R122-Q126 WeakPolarHBondContact O-CG 3.45Å; R122-Q126 PolarHBondContact O-N 3.42Å
123	H	68.1	Low	67.2	Low	103 Å²	103	117.1 Å²	117.1	48%	0.477	55%	0.55	S	S	.	*	H	α-helix	trans	-63.7	-42.2	178.9	177.8	-115.1	0	0	0	112.7	K119 S120 Q126 R127	K119-H123 PolarHBondContact O-N 2.68Å; S120-H123 PolarHBondContact O-N 3.06Å; H123-Q126 PolarHBondContact O-N 2.78Å; H123-R127 WeakPolarHBondContact O-CB 3.23Å; H123-R127 PolarHBondContact O-N 3.07Å
124	C	65.9	Low	66.8	Low	45 Å²	45	117.2 Å²	117.2	30%	0.304	55%	0.551	S	S	.	*	H	α-helix	trans	-63	-43.3	175.1	-75.3	0	0	0	0	112.2	S120 L121 Q126 R127 Y128	S120-C124 WeakPolarHBondContact O-CB 3.15Å; S120-C124 PolarHBondContact O-N 3.48Å; L121-C124 PolarHBondContact O-N 2.92Å; C124-Q126 PolarHBondContact O-N 3.5Å; C124-R127 PolarHBondContact O-N 2.92Å; C124-Y128 HydrophobicContact CB-CD2 4.42Å; C124-Y128 WeakPolarHBondContact O-CB 2.96Å; C124-Y128 PolarHBondContact O-N 3.32Å
125	S	74.6	Confident	66.1	Low	42 Å²	42	118 Å²	118	29%	0.294	55%	0.549	S	S	.	.	H	α-helix	trans	-66.8	-34	178.8	68.1	0	0	0	0	113.5	L121 R122 G129	L121-S125 WeakPolarHBondContact O-CB 3.41Å; L121-S125 PolarHBondContact O-N 3.36Å; L121-S125 PolarHBondContact O-OG 2.77Å; L121-S125 VanDerWaalsContact O-OG 3.14Å; R122-S125 PolarHBondContact O-N 2.83Å; R122-S125 PolarHBondContact O-OG 3.12Å; S125-G129 VanDerWaalsContact CA-O 3.27Å; S125-G129 WeakPolarHBondContact CA-O 3.49Å; S125-G129 CarbonylContact O-C 3.57Å; S125-G129 VanDerWaalsContact O-CA 3.32Å; S125-G129 WeakPolarHBondContact O-CA 3.21Å; S125-G129 PolarHBondContact O-N 3.3Å
126	Q	66	Low	65.4	Low	163 Å²	163	121.1 Å²	121.1	76%	0.762	55%	0.553	S	S	*	*	H	α-helix	trans	-68.7	-35	172.3	-74	177.5	-16.2	0	0	112.6	R122 H123 C124	R122-Q126 WeakPolarHBondContact O-CG 3.45Å; R122-Q126 PolarHBondContact O-N 3.42Å; H123-Q126 PolarHBondContact O-N 2.78Å; C124-Q126 PolarHBondContact O-N 3.5Å
127	R	63.8	Low	64.8	Low	166 Å²	166	115.8 Å²	115.8	63%	0.626	54%	0.537	S	S	*	.	H	α-helix	trans	-90.1	-29.4	-174.3	-166.8	170.2	-178.6	165.9	-2.6	114.3	H123 C124	H123-R127 WeakPolarHBondContact O-CB 3.23Å; H123-R127 PolarHBondContact O-N 3.07Å; C124-R127 PolarHBondContact O-N 2.92Å
128	Y	66.3	Low	63.8	Low	177 Å²	177	116.6 Å²	116.6	69%	0.694	55%	0.552	S	S	*	*	H	α-helix	trans	-125.1	-3.2	-172.3	-54.9	-63.1	0	0	0	114.5	C124	C124-Y128 HydrophobicContact CB-CD2 4.42Å; C124-Y128 WeakPolarHBondContact O-CB 2.96Å; C124-Y128 PolarHBondContact O-N 3.32Å
129	G	72	Confident	62.1	Low	38 Å²	38	117.5 Å²	117.5	39%	0.392	56%	0.561	S	S	.	*			trans	101.4	-176.5	176	0	0	0	0	0	114.4	S125 L131	S125-G129 VanDerWaalsContact CA-O 3.27Å; S125-G129 WeakPolarHBondContact CA-O 3.49Å; S125-G129 CarbonylContact O-C 3.57Å; S125-G129 VanDerWaalsContact O-CA 3.32Å; S125-G129 WeakPolarHBondContact O-CA 3.21Å; S125-G129 PolarHBondContact O-N 3.3Å; G129-L131 PolarHBondContact O-N 3.32Å
130	K	66.7	Low	60.3	Low	213 Å²	213	116.7 Å²	116.7	93%	0.926	57%	0.57	S	S	*	*	S	Bend	trans	-58.5	128.1	-176.9	-70.3	-173.8	176.9	-176.8	0	111
131	L	66.6	Low	58.6	Low	73 Å²	73	119.5 Å²	119.5	38%	0.382	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-60.5	146.8	174.5	-71.6	159.5	0	0	0	110.8	L121 G129	L121-L131 HydrophobicContact CB-CD1 4.2Å; L121-L131 HydrophobicContact CD2-CD1 4.07Å; L121-L131 HydrophobicContact CD2-CD2 4.34Å; G129-L131 PolarHBondContact O-N 3.32Å
132	K	65.9	Low	56.6	Low	147 Å²	147	122.8 Å²	122.8	64%	0.639	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-60.5	147.4	170.2	-71.2	-177.4	175.8	-177.2	0	109.7	Q134 Y135	K132-Q134 HydrophobicContact CB-CG 4.06Å; K132-Q134 PolarHBondContact O-N 3.4Å; K132-Q134 VanDerWaalsContact O-N 3.09Å; K132-Y135 HydrophobicContact CB-CD2 4.33Å; K132-Y135 PolarHBondContact O-N 3.01Å
133	A	59.2	Low	54.7	Low	89 Å²	89	121 Å²	121	74%	0.736	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-52.2	-37	-176.1	0	0	0	0	0	113.7	Y135 R136	A133-Y135 PolarHBondContact O-N 2.94Å; A133-R136 WeakPolarHBondContact O-CB 3.41Å; A133-R136 PolarHBondContact O-N 2.84Å; A133-R136 VanDerWaalsContact O-N 3.1Å
134	Q	58.9	Low	53	Low	134 Å²	134	123.5 Å²	123.5	63%	0.626	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-60.8	-8.9	175.4	74	-163.8	61.6	0	0	115.9	K132	K132-Q134 HydrophobicContact CB-CG 4.06Å; K132-Q134 PolarHBondContact O-N 3.4Å; K132-Q134 VanDerWaalsContact O-N 3.09Å
135	Y	54	Low	51.1	Low	142 Å²	142	127.5 Å²	127.5	56%	0.557	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-123.2	22.1	177.2	-58.7	-61	0	0	0	112.5	K132 A133	K132-Y135 HydrophobicContact CB-CD2 4.33Å; K132-Y135 PolarHBondContact O-N 3.01Å; A133-Y135 PolarHBondContact O-N 2.94Å
136	R	54.9	Low	48.9	Very low	172 Å²	172	134 Å²	134	65%	0.649	69%	0.689	S	S	*	*	S	Bend	trans	-96.1	130	172.2	-162.8	175.5	-173	156.5	-4.8	108.4	A133 E139	A133-R136 WeakPolarHBondContact O-CB 3.41Å; A133-R136 PolarHBondContact O-N 2.84Å; A133-R136 VanDerWaalsContact O-N 3.1Å; R136-E139 IonicContact CZ-OE1 2.66Å; R136-E139 IonicContact NE-OE1 3.2Å; R136-E139 PolarHBondContact NE-OE1 2.85Å; R136-E139 IonicContact NH2-OE1 3.76Å; R136-E139 PolarHBondContact NH2-OE1 3.36Å; R136-E139 IonicContact NH2-OE2 3.29Å
137	E	48.9	Very low	46.9	Very low	92 Å²	92	133.6 Å²	133.6	43%	0.43	69%	0.692	S	S	.	*			trans	-56.7	134	167.4	-67.4	174.5	165.7	0	0	108	R118 E139	R118-E137 IonicContact CZ-OE2 3.98Å; R118-E137 IonicContact NE-OE1 2.69Å; R118-E137 IonicContact NE-OE2 2.81Å; R118-E137 PolarHBondContact NE-OE2 3.47Å; R118-E137 IonicContact NH2-OE2 3.91Å; R118-E137 PolarHBondContact NH2-OE2 3.23Å; E137-E139 PolarHBondContact O-N 3.21Å; E137-E139 VanDerWaalsContact O-N 3.12Å
138	P	41.9	Very low	45.9	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	69%	0.692	S	S	*	*			trans	-64.8	114.8	173.6	26.6	-32.4	0	0	0	108.6	T140	P138-T140 PolarHBondContact O-N 3Å
139	E	36.8	Very low	44.1	Very low	144 Å²	144	129 Å²	129	67%	0.673	70%	0.697	S	S	*	*			trans	-68.8	114.1	178.3	-71.1	165.1	-152.4	0	0	108	R136 E137 A141	R136-E139 IonicContact CZ-OE1 2.66Å; R136-E139 IonicContact NE-OE1 3.2Å; R136-E139 PolarHBondContact NE-OE1 2.85Å; R136-E139 IonicContact NH2-OE1 3.76Å; R136-E139 PolarHBondContact NH2-OE1 3.36Å; R136-E139 IonicContact NH2-OE2 3.29Å; E137-E139 PolarHBondContact O-N 3.21Å; E137-E139 VanDerWaalsContact O-N 3.12Å; E139-A141 PolarHBondContact O-N 3.31Å
140	T	31.9	Very low	42.3	Very low	138 Å²	138	132.6 Å²	132.6	85%	0.847	72%	0.717	S	S	*	*			trans	-62.8	117.9	-179.1	47.2	0	0	0	0	110.3	P138	P138-T140 PolarHBondContact O-N 3Å
141	A	29.9	Very low	41.3	Very low	106 Å²	106	128.5 Å²	128.5	88%	0.876	71%	0.712	S	S	*	*			trans	-66.7	144.3	-177.5	0	0	0	0	0	112.6	E139	E139-A141 PolarHBondContact O-N 3.31Å
142	S	28.8	Very low	39.5	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	73%	0.73	S	S	*	*			trans	-137.8	156.6	163.4	55.5	0	0	0	0	109.2
143	T	28.1	Very low	37.8	Very low	130 Å²	130	128.4 Å²	128.4	80%	0.798	74%	0.736	S	S	*	*			trans	58.3	93.3	-174.9	46.4	0	0	0	0	116.4
144	L	31.1	Very low	36.6	Very low	155 Å²	155	129.4 Å²	129.4	81%	0.812	74%	0.738	S	S	*	*				43.8	129.3	104.4	-148.3	63	0	0	0	116.1
145	D	27.7	Very low	35.4	Very low	128 Å²	128	133.1 Å²	133.1	68%	0.684	75%	0.752	S	S	*	*			cis	-158.1	176.2	30.6	-148	-16.1	0	0	0	114.7
146	Q	27.7	Very low	34.3	Very low	179 Å²	179	134.6 Å²	134.6	84%	0.836	77%	0.769	S	S	*	*			trans	80.6	155.2	165.3	-61.1	-175.8	13.2	0	0	120.3
147	N	24.4	Very low	33.2	Very low	154 Å²	154	138 Å²	138	82%	0.824	78%	0.781	S	S	*	*			trans	-158.3	168.7	-154.7	-171.5	50.6	0	0	0	107.5
148	P	41.8	Very low	32.3	Very low	94 Å²	94	143 Å²	143	61%	0.61	80%	0.802	S	S	*	*			cis	-111.3	-164.9	-6.7	35.7	-14.8	0	0	0	111.7
149	D	27.8	Very low	31.8	Very low	153 Å²	153	144.7 Å²	144.7	82%	0.818	80%	0.803	S	S	*	*			cis	-147.1	-179	28.1	-98.6	-50.8	0	0	0	113.4
150	S	34.5	Very low	31.9	Very low	114 Å²	114	144.1 Å²	144.1	80%	0.797	81%	0.808	S	S	*	*			trans	-112.3	-156.6	-165	-59.8	0	0	0	0	116
151	P	47.1	Very low	32	Very low	127 Å²	127	143 Å²	143	83%	0.825	80%	0.797	S	S	*	*				-131.8	165.5	-96.3	41.2	-24.8	0	0	0	117.3
152	A	28.3	Very low	32.5	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	79%	0.793	S	S	*	*			trans	-154.2	103.4	168.5	0	0	0	0	0	117.8
153	T	31	Very low	33.1	Very low	126 Å²	126	146.5 Å²	146.5	77%	0.773	80%	0.799	S	S	*	*			trans	35.1	106.6	139.1	61.3	0	0	0	0	123.8
154	S	33.3	Very low	33.6	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	79%	0.794	S	S	*	*				37.7	138.2	122.6	67.4	0	0	0	0	124
155	K	33.4	Very low	33.9	Very low	212 Å²	212	149 Å²	149	92%	0.922	80%	0.801	S	S	*	*			trans	-157.8	136.7	136.1	-113.8	158.9	-171.2	169	0	113.3
156	L	31	Very low	34.2	Very low	173 Å²	173	146.5 Å²	146.5	91%	0.906	81%	0.805	S	S	*	*			trans	-74.6	165.3	178.1	-124.3	73.6	0	0	0	112.2
157	R	31.2	Very low	34.5	Very low	243 Å²	243	150.1 Å²	150.1	92%	0.917	81%	0.811	S	S	*	*			trans	-119.5	152.7	165.5	-79.5	-166	173.5	-143.6	-1.4	112.1
158	K	29.9	Very low	34.8	Very low	197 Å²	197	147.5 Å²	147.5	86%	0.857	81%	0.811	S	S	*	*			trans	-95.7	146.7	-162.7	-162.4	176	-177.9	-179.7	0	112.1
159	I	32.7	Very low	34.2	Very low	159 Å²	159	152.6 Å²	152.6	82%	0.815	82%	0.824	S	S	*	*			trans	-76	149.5	173.6	-61.8	168.8	0	0	0	109.9
160	V	38.7	Very low	34.4	Very low	131 Å²	131	156.8 Å²	156.8	79%	0.794	83%	0.828	S	S	*	*			trans	-137.3	140.4	173.2	-178.3	0	0	0	0	109.3
161	D	34.4	Very low	34.2	Very low	114 Å²	114	160.8 Å²	160.8	61%	0.61	83%	0.827	S	S	*	*			trans	-76.9	141.1	-176.8	-168.7	-61.1	0	0	0	112.7	L163	D161-L163 WeakPolarHBondContact OD1-CB 3.24Å; D161-L163 PolarHBondContact OD1-N 2.89Å
162	P	39.1	Very low	33.9	Very low	123 Å²	123	160 Å²	160	80%	0.799	82%	0.823	S	S	*	*	S	Bend	trans	-79.8	-8.6	-179.3	32.4	-36.9	0	0	0	116.8	A164	P162-A164 PolarHBondContact O-N 3.14Å
163	L	42.6	Very low	34	Very low	163 Å²	163	162.1 Å²	162.1	85%	0.853	82%	0.821	S	S	*	*			trans	-79.3	23.4	-169.8	-74.1	174.5	0	0	0	116.5	D161	D161-L163 WeakPolarHBondContact OD1-CB 3.24Å; D161-L163 PolarHBondContact OD1-N 2.89Å
164	A	37.8	Very low	34.1	Very low	84 Å²	84	164.1 Å²	164.1	69%	0.694	82%	0.822	S	S	*	*			trans	-133.5	85.3	-174.9	0	0	0	0	0	115.2	P162	P162-A164 PolarHBondContact O-N 3.14Å
165	R	38.2	Very low	34.1	Very low	252 Å²	252	166.4 Å²	166.4	95%	0.951	82%	0.822	S	S	*	*			trans	-161	115.1	147.3	-121.3	176.7	-177	109.8	3.2	113.8
166	G	34	Very low	33.8	Very low	76 Å²	76	163.3 Å²	163.3	78%	0.784	82%	0.815	S	S	*	*			trans	-80	175	173.4	0	0	0	0	0	114.2
167	R	33.7	Very low	33.7	Very low	255 Å²	255	160.8 Å²	160.8	96%	0.962	81%	0.812	S	S	*	*			trans	-75.7	159.7	176	-57.5	179.1	-174.9	178.5	2.1	111.2
168	A	31.3	Very low	33.7	Very low	99 Å²	99	157.1 Å²	157.1	82%	0.818	81%	0.81	S	S	*	*			trans	-124.1	129.5	170.3	0	0	0	0	0	110.6
169	F	28.8	Very low	34.5	Very low	202 Å²	202	152.5 Å²	152.5	89%	0.886	80%	0.8	S	S	*	*			trans	-79.6	171.7	168.9	-95.2	-107	0	0	0	111.1
170	R	32.3	Very low	34.3	Very low	240 Å²	240	154.8 Å²	154.8	91%	0.906	80%	0.804	S	S	*	*			trans	-135.2	143.8	161.8	-79.5	-174.4	173.3	172.2	-3.3	110.3
171	Y	29.1	Very low	33.7	Very low	198 Å²	198	154.7 Å²	154.7	78%	0.776	80%	0.804	S	S	*	*			trans	-143.3	155.9	170.4	-143.5	-92.2	0	0	0	107.2
172	P	41.5	Very low	34.1	Very low	111 Å²	111	153.7 Å²	153.7	72%	0.721	80%	0.804	S	S	*	*			trans	-136.4	158.1	140.2	35.8	-22.7	0	0	0	112.8
173	D	31	Very low	33.6	Very low	137 Å²	137	156.2 Å²	156.2	73%	0.733	81%	0.805	S	S	*	*			trans	-75.9	147.1	-165.5	-38.4	-76.8	0	0	0	112.5
174	E	32.7	Very low	32.8	Very low	168 Å²	168	154.3 Å²	154.3	79%	0.785	80%	0.8	S	S	*	*				49.9	142.9	89.4	-50.6	-151.6	126.9	0	0	115.2
175	M	32.3	Very low	32.3	Very low	157 Å²	157	156 Å²	156	77%	0.773	80%	0.802	S	S	*	*			cis	-158.1	152.6	15	-157.8	173.3	-178.4	0	0	110.7
176	D	28.2	Very low	31.9	Very low	147 Å²	147	152.7 Å²	152.7	79%	0.786	80%	0.796	S	S	*	*			trans	170.2	125.6	131.2	-100.5	-22	0	0	0	117.2
177	S	28.5	Very low	31.7	Very low	120 Å²	120	152.8 Å²	152.8	84%	0.839	80%	0.797	S	S	*	*			trans	68.4	161.3	151.5	77.1	0	0	0	0	122.3
178	L	30.6	Very low	31.4	Very low	166 Å²	166	144.1 Å²	144.1	87%	0.869	79%	0.787	S	S	*	*			trans	-151	179.4	-164.5	-146.4	88.2	0	0	0	108.4
179	P	47.4	Very low	31.9	Very low	101 Å²	101	144.8 Å²	144.8	66%	0.656	78%	0.784	S	S	*	*			cis	-120.9	167.2	-32.1	36.3	-22.8	0	0	0	114.2
180	K	27.9	Very low	31.9	Very low	206 Å²	206	144.9 Å²	144.9	90%	0.896	78%	0.784	S	S	*	*			trans	-178.9	155.6	131.9	-102.8	160.5	-174.8	175.2	0	113.9
181	T	27.5	Very low	32.1	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	78%	0.779	S	S	*	*			trans	-126.2	-179.6	170.2	58.4	0	0	0	0	108.8
182	P	41.8	Very low	32.4	Very low	92 Å²	92	136.4 Å²	136.4	60%	0.597	78%	0.782	S	S	*	*			cis	-123.3	-179.4	-17.3	24.7	-2.6	0	0	0	112.4
183	H	29	Very low	31.6	Very low	176 Å²	176	134.3 Å²	134.3	82%	0.815	78%	0.78	S	S	*	*				169.8	158.4	116.2	-89.5	-66.3	0	0	0	114.1
184	T	25.6	Very low	31.6	Very low	124 Å²	124	135.6 Å²	135.6	76%	0.761	79%	0.786	S	S	*	*			trans	-85.5	156.3	-174.6	48	0	0	0	0	114.4
185	V	27.2	Very low	31.3	Very low	119 Å²	119	134.3 Å²	134.3	72%	0.721	79%	0.789	S	S	*	*				-175	163.5	127	139.5	0	0	0	0	111
186	H	30.4	Very low	31	Very low	182 Å²	182	131.3 Å²	131.3	84%	0.843	78%	0.784	S	S	*	*			trans	84.2	134.9	-172.7	-53.4	-68.8	0	0	0	114.8
187	G	29.5	Very low	31	Very low	78 Å²	78	131.5 Å²	131.5	80%	0.804	78%	0.784	S	S	*	*			cis	120.6	91.4	1.4	0	0	0	0	0	111.7
188	G	27.5	Very low	31	Very low	73 Å²	73	130.2 Å²	130.2	75%	0.753	78%	0.775	S	S	*	*			trans	-111.2	-157.8	170.5	0	0	0	0	0	111.3
189	P	41	Very low	30.8	Very low	114 Å²	114	127 Å²	127	74%	0.74	77%	0.767	S	S	*	*			cis	-103.6	176	-17.4	39.5	-30.9	0	0	0	111
190	F	28	Very low	29.8	Very low	204 Å²	204	132.5 Å²	132.5	90%	0.895	78%	0.781	S	S	*	*			trans	-172.2	158.2	139.6	-100.1	-59.7	0	0	0	111.7
191	T	37.1	Very low	30	Very low	130 Å²	130	129.4 Å²	129.4	80%	0.798	78%	0.779	S	S	*	*			trans	-80.5	162.5	174.3	49.2	0	0	0	0	111.9
192	P	35.6	Very low	30.1	Very low	130 Å²	130	129.1 Å²	129.1	84%	0.844	78%	0.782	S	S	*	*			trans	-134.6	147	141.4	36.8	-26.1	0	0	0	113.3
193	G	25.4	Very low	29.7	Very low	66 Å²	66	133 Å²	133	68%	0.68	79%	0.792	S	S	*	*			trans	-121.7	159.3	163.3	0	0	0	0	0	111
194	I	30.1	Very low	29.8	Very low	165 Å²	165	135.1 Å²	135.1	85%	0.846	79%	0.793	S	S	*	*			trans	45.9	103.4	155.5	-47.3	168.1	0	0	0	117.1
195	T	27.1	Very low	30.1	Very low	141 Å²	141	135 Å²	135	87%	0.865	80%	0.797	S	S	*	*				172.8	171.8	129.4	29.5	0	0	0	0	108.8
196	S	26.7	Very low	30.1	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	80%	0.796	S	S	*	*			cis	176.1	157.2	-44.3	-173.8	0	0	0	0	107
197	L	28	Very low	30	Very low	151 Å²	151	130.6 Å²	130.6	79%	0.791	80%	0.802	S	S	*	*			trans	66.2	125.9	158.6	-80.4	163.9	0	0	0	120.5
198	S	27.6	Very low	30.1	Very low	94 Å²	94	132 Å²	132	66%	0.657	80%	0.799	S	S	*	*			trans	33.9	147.4	131	63.1	0	0	0	0	121.8
199	S	27.1	Very low	30.3	Very low	99 Å²	99	140.3 Å²	140.3	69%	0.692	81%	0.807	S	S	*	*			cis	-175.9	155.3	3.9	-105.4	0	0	0	0	108.5
200	F	26.9	Very low	30	Very low	216 Å²	216	143.2 Å²	143.2	95%	0.947	82%	0.816	S	S	*	*			trans	-145.8	134.6	155.7	-90.5	-67.3	0	0	0	114.1
201	T	30.5	Very low	30.4	Very low	140 Å²	140	139.1 Å²	139.1	86%	0.859	81%	0.81	S	S	*	*			trans	-140.4	115.2	169.6	50	0	0	0	0	110.6
202	S	29.4	Very low	30.2	Very low	124 Å²	124	144.6 Å²	144.6	87%	0.867	82%	0.816	S	S	*	*			trans	-157.8	171.8	161.5	-159.7	0	0	0	0	111.9
203	Q	33.6	Very low	30.4	Very low	174 Å²	174	150.6 Å²	150.6	81%	0.813	82%	0.822	S	S	*	*			trans	-113.6	179.6	179	-62.5	-169.5	-5.2	0	0	109.3
204	R	32.6	Very low	30.8	Very low	221 Å²	221	156.6 Å²	156.6	83%	0.834	83%	0.829	S	S	*	*			cis	-169.5	166.9	32.9	-165.1	178.8	-179.4	-169.1	1.2	113.1
205	S	30.8	Very low	31.6	Very low	121 Å²	121	160.6 Å²	160.6	85%	0.846	83%	0.834	S	S	*	*			trans	91.3	142.4	165.7	81.2	0	0	0	0	116.4
206	G	27.1	Very low	32.5	Very low	68 Å²	68	158.5 Å²	158.5	70%	0.701	81%	0.814	S	S	*	*			cis	-165.6	-166.4	-1.9	0	0	0	0	0	114.3
207	C	29.5	Very low	34.1	Very low	141 Å²	141	157.8 Å²	157.8	95%	0.953	81%	0.809	S	S	*	*			trans	71.1	159.7	-177.8	-152.8	0	0	0	0	116.6
208	S	30.3	Very low	35.3	Very low	106 Å²	106	156.1 Å²	156.1	74%	0.741	81%	0.805	S	S	*	*			trans	-147.1	133.1	-149.7	58.3	0	0	0	0	115.8
209	R	31.7	Very low	36.4	Very low	248 Å²	248	154.2 Å²	154.2	94%	0.936	80%	0.795	S	S	*	*			trans	-147.3	139	158.9	-69.3	-166.3	175.7	178.9	-1.2	110.3
210	L	35.3	Very low	37.6	Very low	176 Å²	176	158 Å²	158	92%	0.921	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-71.1	128.6	-176.6	-69.2	167.7	0	0	0	112.4
211	P	36.1	Very low	39.2	Very low	118 Å²	118	153.2 Å²	153.2	77%	0.766	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-85.2	128.4	175.5	31.9	-32.4	0	0	0	112.5
212	R	33.8	Very low	40.3	Very low	244 Å²	244	149.7 Å²	149.7	92%	0.921	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-57.3	140	167.7	-121	173.6	174.8	165.7	-2.7	110.4	K214	R212-K214 PolarHBondContact O-N 3.06Å
213	R	38.9	Very low	41.9	Very low	256 Å²	256	149.4 Å²	149.4	97%	0.966	74%	0.744	S	S	*	*			trans	-54.7	91.8	-173.9	-164.1	-179.6	-166.2	179.6	5.8	113.2
214	K	33.3	Very low	43.1	Very low	193 Å²	193	147.7 Å²	147.7	84%	0.839	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-84.1	129.8	179	-137.7	173.1	-173.1	176.8	0	109.6	R212 E216	R212-K214 PolarHBondContact O-N 3.06Å; K214-E216 PolarHBondContact O-N 3.21Å
215	R	47.9	Very low	44.4	Very low	249 Å²	249	139.6 Å²	139.6	94%	0.94	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-67.2	128.5	171.8	-79.4	-173.9	172.1	-171.2	-2.2	109.3
216	E	45.7	Very low	45.3	Very low	97 Å²	97	136.1 Å²	136.1	45%	0.453	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-70.9	148.6	173	-64.3	-160.3	142.1	0	0	111.2	K214 R224	K214-E216 PolarHBondContact O-N 3.21Å; E216-R224 IonicContact OE1-CZ 3.85Å; E216-R224 IonicContact OE1-NH1 3.46Å; E216-R224 PolarHBondContact OE1-NH1 3.06Å; E216-R224 IonicContact OE2-NH1 2.71Å; E216-R224 PolarHBondContact OE2-NH1 3.29Å
217	S	59.5	Low	46.5	Very low	77 Å²	77	135.5 Å²	135.5	54%	0.538	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-66.2	141.3	172.5	174.2	0	0	0	0	110.7	A219 R220 M221	S217-A219 PolarHBondContact O-N 3.04Å; S217-A219 VanDerWaalsContact O-N 3.11Å; S217-A219 PolarHBondContact OG-N 3.47Å; S217-R220 PolarHBondContact O-N 3.34Å; S217-M221 PolarHBondContact O-N 3.19Å; S217-M221 VanDerWaalsContact O-N 3.13Å
218	V	54	Low	47.4	Very low	117 Å²	117	134.5 Å²	134.5	71%	0.709	66%	0.66	S	S	*	*	H	α-helix	trans	-52.1	-35.1	175.3	-178.8	0	0	0	0	111.3	R220 M221 S222	V218-R220 PolarHBondContact O-N 2.84Å; V218-M221 PolarHBondContact O-N 2.98Å; V218-S222 PolarHBondContact O-N 2.9Å; V218-S222 PolarHBondContact O-OG 3.43Å
219	A	51.1	Low	48.3	Very low	54 Å²	54	136.5 Å²	136.5	45%	0.446	66%	0.661	S	S	.	*	H	α-helix	trans	-64.2	-35.4	176.7	0	0	0	0	0	113.7	S217 S222 I223	S217-A219 PolarHBondContact O-N 3.04Å; S217-A219 VanDerWaalsContact O-N 3.11Å; S217-A219 PolarHBondContact OG-N 3.47Å; A219-S222 WeakPolarHBondContact CA-OG 3.39Å; A219-S222 PolarHBondContact O-OG 2.62Å; A219-S222 VanDerWaalsContact O-OG 3.08Å; A219-I223 WeakPolarHBondContact O-CB 3.36Å; A219-I223 WeakPolarHBondContact O-CD1 3.48Å; A219-I223 WeakPolarHBondContact O-CG1 3.4Å; A219-I223 PolarHBondContact O-N 3.12Å; A219-I223 VanDerWaalsContact O-N 3.1Å
220	R	52.1	Low	49	Very low	179 Å²	179	132.1 Å²	132.1	68%	0.675	66%	0.656	S	S	*	*	H	α-helix	trans	-75.7	-32.5	173.5	-91.2	-173.6	167.9	165.7	-1.4	112	S217 V218 R224	S217-R220 PolarHBondContact O-N 3.34Å; V218-R220 PolarHBondContact O-N 2.84Å; R220-R224 PolarHBondContact O-N 2.87Å
221	M	60.5	Low	49.5	Very low	115 Å²	115	134.1 Å²	134.1	57%	0.567	65%	0.651	S	S	*	*	H	α-helix	trans	-69	-40	175.6	-159.9	-179.4	-63.1	0	0	111.7	S217 V218 R224 A225	S217-M221 PolarHBondContact O-N 3.19Å; S217-M221 VanDerWaalsContact O-N 3.13Å; V218-M221 PolarHBondContact O-N 2.98Å; M221-R224 PolarHBondContact O-N 3.49Å; M221-A225 WeakPolarHBondContact O-CB 3.47Å; M221-A225 PolarHBondContact O-N 3.06Å
222	S	52.7	Low	49.4	Very low	66 Å²	66	131.5 Å²	131.5	46%	0.462	65%	0.645	S	S	.	*	H	α-helix	trans	-70.8	-38.1	175	60.6	0	0	0	0	112.7	V218 A219 A225 A226	V218-S222 PolarHBondContact O-N 2.9Å; V218-S222 PolarHBondContact O-OG 3.43Å; A219-S222 WeakPolarHBondContact CA-OG 3.39Å; A219-S222 PolarHBondContact O-OG 2.62Å; A219-S222 VanDerWaalsContact O-OG 3.08Å; S222-A225 PolarHBondContact O-N 2.95Å; S222-A226 WeakPolarHBondContact O-CB 3.46Å; S222-A226 PolarHBondContact O-N 2.94Å
223	I	63.7	Low	49.5	Very low	118 Å²	118	131.4 Å²	131.4	61%	0.605	65%	0.645	S	S	*	*	H	α-helix	trans	-62.1	-43.7	172.6	-72.2	166.1	0	0	0	111.1	A219 A226 S227	A219-I223 WeakPolarHBondContact O-CB 3.36Å; A219-I223 WeakPolarHBondContact O-CD1 3.48Å; A219-I223 WeakPolarHBondContact O-CG1 3.4Å; A219-I223 PolarHBondContact O-N 3.12Å; A219-I223 VanDerWaalsContact O-N 3.1Å; I223-A226 PolarHBondContact O-N 2.98Å; I223-S227 PolarHBondContact O-N 3.11Å; I223-S227 PolarHBondContact O-OG 2.96Å
224	R	59.2	Low	49.1	Very low	137 Å²	137	125.2 Å²	125.2	52%	0.517	64%	0.641	S	S	.	*	H	α-helix	trans	-65.3	-39.2	173.3	-84.2	-175.2	172.2	137.2	-4	113.2	E216 R220 M221 A226 S227 N228	E216-R224 IonicContact OE1-CZ 3.85Å; E216-R224 IonicContact OE1-NH1 3.46Å; E216-R224 PolarHBondContact OE1-NH1 3.06Å; E216-R224 IonicContact OE2-NH1 2.71Å; E216-R224 PolarHBondContact OE2-NH1 3.29Å; R220-R224 PolarHBondContact O-N 2.87Å; M221-R224 PolarHBondContact O-N 3.49Å; R224-A226 VanDerWaalsContact C-N 3.33Å; R224-S227 WeakPolarHBondContact CA-OG 3.27Å; R224-S227 PolarHBondContact O-N 2.93Å; R224-S227 PolarHBondContact O-OG 2.89Å; R224-N228 WeakPolarHBondContact O-CB 3.32Å; R224-N228 PolarHBondContact O-N 3.46Å; R224-N228 PolarHBondContact O-OD1 2.94Å
225	A	58.8	Low	49	Very low	51 Å²	51	119.1 Å²	119.1	42%	0.421	63%	0.633	S	S	.	*	H	α-helix	trans	-63.9	-40	175.5	0	0	0	0	0	111.5	M221 S222 N228 L229	M221-A225 WeakPolarHBondContact O-CB 3.47Å; M221-A225 PolarHBondContact O-N 3.06Å; S222-A225 PolarHBondContact O-N 2.95Å; A225-N228 PolarHBondContact O-N 3.21Å; A225-L229 WeakPolarHBondContact O-CB 3.37Å; A225-L229 WeakPolarHBondContact O-CG 3.34Å; A225-L229 PolarHBondContact O-N 3.38Å
226	A	50.1	Low	48.2	Very low	49 Å²	49	116 Å²	116	41%	0.405	63%	0.634	S	S	.	*	H	α-helix	trans	-66.1	-44.5	174.6	0	0	0	0	0	112.2	S222 I223 R224 N228 L229 L230	S222-A226 WeakPolarHBondContact O-CB 3.46Å; S222-A226 PolarHBondContact O-N 2.94Å; I223-A226 PolarHBondContact O-N 2.98Å; R224-A226 VanDerWaalsContact C-N 3.33Å; A226-N228 VanDerWaalsContact C-N 3.29Å; A226-N228 PolarHBondContact O-N 3.12Å; A226-L229 PolarHBondContact O-N 3.1Å; A226-L230 WeakPolarHBondContact O-CG 3.23Å; A226-L230 PolarHBondContact O-N 3.49Å
227	S	52.7	Low	47.4	Very low	54 Å²	54	115.4 Å²	115.4	38%	0.378	65%	0.646	S	S	.	*	H	α-helix	trans	-63.1	-36.1	176.7	65.1	0	0	0	0	112.4	I223 R224 L230 R231	I223-S227 PolarHBondContact O-N 3.11Å; I223-S227 PolarHBondContact O-OG 2.96Å; R224-S227 WeakPolarHBondContact CA-OG 3.27Å; R224-S227 PolarHBondContact O-N 2.93Å; R224-S227 PolarHBondContact O-OG 2.89Å; S227-L230 PolarHBondContact O-N 2.97Å; S227-R231 WeakPolarHBondContact O-CB 3.44Å; S227-R231 PolarHBondContact O-N 3.24Å
228	N	47.1	Very low	45.8	Very low	121 Å²	121	120 Å²	120	65%	0.647	66%	0.664	S	S	*	*	H	α-helix	trans	-78.3	-22	178.7	-66.8	3.5	0	0	0	113	R224 A225 A226	R224-N228 WeakPolarHBondContact O-CB 3.32Å; R224-N228 PolarHBondContact O-N 3.46Å; R224-N228 PolarHBondContact O-OD1 2.94Å; A225-N228 PolarHBondContact O-N 3.21Å; A226-N228 VanDerWaalsContact C-N 3.29Å; A226-N228 PolarHBondContact O-N 3.12Å
229	L	49.6	Very low	44.5	Very low	148 Å²	148	118.5 Å²	118.5	78%	0.775	66%	0.659	S	S	*	*	H	α-helix	trans	-78.2	-32.2	169.2	-83.4	164.6	0	0	0	112.6	A225 A226	A225-L229 WeakPolarHBondContact O-CB 3.37Å; A225-L229 WeakPolarHBondContact O-CG 3.34Å; A225-L229 PolarHBondContact O-N 3.38Å; A226-L229 PolarHBondContact O-N 3.1Å
230	L	45.9	Very low	43.4	Very low	156 Å²	156	123.9 Å²	123.9	82%	0.817	68%	0.675	S	S	*	*	H	α-helix	trans	-79.3	-29.8	175.7	-71.9	167.8	0	0	0	112.7	A226 S227 G232	A226-L230 WeakPolarHBondContact O-CG 3.23Å; A226-L230 PolarHBondContact O-N 3.49Å; S227-L230 PolarHBondContact O-N 2.97Å; L230-G232 PolarHBondContact O-N 3.05Å
231	R	46.3	Very low	42.1	Very low	218 Å²	218	119.6 Å²	119.6	82%	0.823	67%	0.672	S	S	*	*	S	Bend	trans	-92.7	68.7	178.9	-157.1	173.7	-169.3	-167.2	2	112.1	S227 R233	S227-R231 WeakPolarHBondContact O-CB 3.44Å; S227-R231 PolarHBondContact O-N 3.24Å; R231-R233 PolarHBondContact O-N 3.03Å
232	G	33.8	Very low	40.5	Very low	63 Å²	63	120.3 Å²	120.3	65%	0.649	68%	0.683	S	S	*	*			trans	-60.9	101	177.9	0	0	0	0	0	113.9	L230	L230-G232 PolarHBondContact O-N 3.05Å
233	R	36.7	Very low	39.3	Very low	242 Å²	242	128.9 Å²	128.9	91%	0.913	71%	0.706	S	S	*	*			trans	25	95.2	153.9	-155.3	178.3	-163.8	175.8	3.2	117.2	R231	R231-R233 PolarHBondContact O-N 3.03Å
234	S	30	Very low	37.5	Very low	125 Å²	125	126.3 Å²	126.3	87%	0.874	71%	0.708	S	S	*	*			trans	-100.6	133.9	157.8	-42.3	0	0	0	0	108.8
235	G	31.2	Very low	36	Very low	66 Å²	66	130 Å²	130	68%	0.68	73%	0.728	S	S	*	*			trans	138.1	77.8	173.5	0	0	0	0	0	115.7
236	L	30.6	Very low	34.4	Very low	182 Å²	182	133.7 Å²	133.7	95%	0.953	75%	0.746	S	S	*	*				-156.6	158.5	107.2	-127.3	77.9	0	0	0	108
237	A	29.1	Very low	33.3	Very low	86 Å²	86	141.4 Å²	141.4	71%	0.711	76%	0.764	S	S	*	*			trans	-137.7	136	171.4	0	0	0	0	0	108.5
238	D	25.6	Very low	32.2	Very low	172 Å²	172	148.6 Å²	148.6	92%	0.92	78%	0.783	S	S	*	*			trans	-167.3	172.7	140.7	-99	-25.5	0	0	0	109.7
239	S	27.6	Very low	31.2	Very low	86 Å²	86	147.4 Å²	147.4	60%	0.601	79%	0.785	S	S	*	*			trans	-98.1	147.3	-153.9	46.4	0	0	0	0	116
240	H	27.6	Very low	30.1	Very low	167 Å²	167	150.4 Å²	150.4	77%	0.773	79%	0.792	S	S	*	*				175.7	137.6	102.2	-97.3	-80.1	0	0	0	114.9
241	S	26.3	Very low	29.1	Very low	90 Å²	90	150.8 Å²	150.8	63%	0.629	79%	0.793	S	S	*	*			trans	34.7	124.9	152.2	58.5	0	0	0	0	123.8
242	T	25.7	Very low	28.1	Very low	129 Å²	129	148.8 Å²	148.8	79%	0.791	79%	0.793	S	S	*	*			trans	65.9	148.3	144.5	56.2	0	0	0	0	119.1
243	R	27.9	Very low	27.7	Very low	247 Å²	247	152.9 Å²	152.9	93%	0.932	80%	0.8	S	S	*	*			cis	-155	152.2	1.4	-134.7	176.9	-174.1	172	1.7	108.6
244	G	25.7	Very low	27.1	Very low	64 Å²	64	147.8 Å²	147.8	66%	0.66	79%	0.791	S	S	*	*			trans	132.7	120.8	150	0	0	0	0	0	118.7
245	F	27.2	Very low	26.9	Very low	213 Å²	213	152 Å²	152	93%	0.934	79%	0.788	S	S	*	*			trans	62.5	138.1	155.8	-76.7	-84.7	0	0	0	122
246	T	26.7	Very low	26.9	Very low	129 Å²	129	155.4 Å²	155.4	79%	0.791	79%	0.789	S	S	*	*			trans	-133	125.3	-166.5	47	0	0	0	0	112.6
247	R	26.5	Very low	26.9	Very low	212 Å²	212	152.5 Å²	152.5	80%	0.8	77%	0.774	S	S	*	*			trans	69.2	154.4	131.2	-146.2	-167	-172.2	175.1	3.9	118.9
248	R	28.4	Very low	26.9	Very low	204 Å²	204	155.8 Å²	155.8	77%	0.77	78%	0.775	S	S	*	*			trans	69.3	156.5	162.9	-77.9	175.9	178.5	167.2	-4.1	116.7
249	S	26.9	Very low	27.2	Very low	97 Å²	97	155.7 Å²	155.7	68%	0.678	77%	0.774	S	S	*	*			cis	-165.8	157.8	-37	42.2	0	0	0	0	109	I251	S249-I251 PolarHBondContact O-N 3.14Å
250	F	26.6	Very low	27.4	Very low	211 Å²	211	157.1 Å²	157.1	93%	0.925	78%	0.78	S	S	*	*			trans	-60.8	126.3	-180	-65.4	-91.7	0	0	0	113.3
251	I	25.1	Very low	27.7	Very low	164 Å²	164	156.4 Å²	156.4	84%	0.841	79%	0.787	S	S	*	*			trans	-129.7	152.6	145.4	-73.1	-171.8	0	0	0	107.7	S249	S249-I251 PolarHBondContact O-N 3.14Å
252	Q	25.5	Very low	27.8	Very low	176 Å²	176	159.3 Å²	159.3	82%	0.822	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-81.7	133.3	-174.6	171	-179.2	-18.3	0	0	111.5
253	N	25.1	Very low	27.9	Very low	148 Å²	148	159 Å²	159	79%	0.791	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-96.3	132.8	170.6	-118	38.4	0	0	0	110.6
254	N	24	Very low	28	Very low	136 Å²	136	151 Å²	151	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-82.6	157.8	164.4	-152.6	22.4	0	0	0	108.9
255	W	24.8	Very low	28.1	Very low	213 Å²	213	155.3 Å²	155.3	81%	0.807	80%	0.8	S	S	*	*			trans	-145	121.1	171.1	-126.9	67.8	0	0	0	110.4	D257	W255-D257 WeakPolarHBondContact CZ3-O 3.38Å
256	I	31.9	Very low	28.2	Very low	138 Å²	138	151.1 Å²	151.1	71%	0.708	79%	0.792	S	S	*	*			trans	-128.6	160.2	165.6	-70	178.1	0	0	0	104.7
257	D	30.4	Very low	28.2	Very low	121 Å²	121	150.9 Å²	150.9	65%	0.647	79%	0.791	S	S	*	*			trans	99.2	140.8	-171.3	-55.7	-3.7	0	0	0	112.7	W255	W255-D257 WeakPolarHBondContact CZ3-O 3.38Å
258	E	30.5	Very low	28.3	Very low	154 Å²	154	146 Å²	146	72%	0.72	79%	0.789	S	S	*	*			cis	-157.8	155.3	-29.2	-176.2	150.3	95.5	0	0	106.7
259	D	31.5	Very low	28.2	Very low	170 Å²	170	140.9 Å²	140.9	91%	0.909	79%	0.791	S	S	*	*			trans	-175.4	118.8	148.9	-104.7	-24.3	0	0	0	110.1
260	T	31.3	Very low	28.2	Very low	117 Å²	117	141 Å²	141	72%	0.718	79%	0.791	S	S	*	*			trans	-116.2	139.7	179.8	49.6	0	0	0	0	111.7
261	V	34	Very low	28.3	Very low	152 Å²	152	138.1 Å²	138.1	92%	0.921	79%	0.785	S	S	*	*			trans	-143	137.2	162.1	-162.5	0	0	0	0	109.7
262	D	28.9	Very low	28.3	Very low	150 Å²	150	139 Å²	139	80%	0.802	78%	0.783	S	S	*	*			trans	-62.9	155.5	-171.6	-80.3	-61.7	0	0	0	117
263	S	28.2	Very low	28.4	Very low	124 Å²	124	139.5 Å²	139.5	87%	0.867	78%	0.783	S	S	*	*				-175.7	117.8	121.1	-79.1	0	0	0	0	114
264	G	28.7	Very low	28.5	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	78%	0.778	S	S	*	*			trans	94.5	118.1	141.3	0	0	0	0	0	118.8
265	D	28.3	Very low	28.5	Very low	154 Å²	154	137.8 Å²	137.8	82%	0.824	77%	0.774	S	S	*	*			trans	-62.8	152.4	167.4	-59.5	-80.3	0	0	0	113.5
266	T	29.6	Very low	28.6	Very low	125 Å²	125	134.2 Å²	134.2	77%	0.767	78%	0.776	S	S	*	*				179.4	122.7	107.6	26.8	0	0	0	0	114.4
267	T	26.7	Very low	28.3	Very low	124 Å²	124	132.6 Å²	132.6	76%	0.761	77%	0.768	S	S	*	*			trans	56.7	133.2	142.4	59.3	0	0	0	0	123.5
268	S	28	Very low	28.1	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	78%	0.779	S	S	*	*			trans	90.5	119.1	139.8	73.9	0	0	0	0	121.1
269	A	27	Very low	28	Very low	96 Å²	96	132.8 Å²	132.8	79%	0.793	78%	0.784	S	S	*	*				50.1	144.3	126.3	0	0	0	0	0	121.4
270	S	26.4	Very low	27.8	Very low	99 Å²	99	131.3 Å²	131.3	69%	0.692	77%	0.773	S	S	*	*			cis	-176	-170.3	-9.5	52.1	0	0	0	0	109.9
271	L	28.4	Very low	27.6	Very low	151 Å²	151	135.2 Å²	135.2	79%	0.791	78%	0.776	S	S	*	*			trans	75.8	88.7	157	-65.1	163.4	0	0	0	120.6
272	F	25.2	Very low	27.2	Very low	184 Å²	184	132 Å²	132	81%	0.807	76%	0.761	S	S	*	*				46.1	156.6	105.5	-90.1	-91.8	0	0	0	124.9
273	F	28	Very low	27.3	Very low	186 Å²	186	133.2 Å²	133.2	82%	0.816	76%	0.763	S	S	*	*			trans	72.5	138.1	167.4	-79.2	-75.1	0	0	0	117.5
274	S	27	Very low	27.4	Very low	99 Å²	99	131.3 Å²	131.3	69%	0.692	76%	0.755	S	S	*	*			cis	-142.3	149.9	-8	-37.6	0	0	0	0	106.6
275	K	24.8	Very low	27.5	Very low	149 Å²	149	134.8 Å²	134.8	65%	0.648	76%	0.755	S	S	*	*			cis	59.1	101.7	42.6	-169.8	162.6	178.7	172.1	0	116.6	D277	K275-D277 WeakPolarHBondContact CE-OD1 3.43Å; K275-D277 WeakPolarHBondContact CE-OD2 3.44Å; K275-D277 IonicContact NZ-OD1 3.9Å; K275-D277 PolarHBondContact NZ-OD1 3.4Å
276	V	25.5	Very low	27.5	Very low	138 Å²	138	134.3 Å²	134.3	84%	0.836	75%	0.753	S	S	*	*			trans	-152.1	94	143.7	-176.2	0	0	0	0	104.4
277	D	25.7	Very low	27.5	Very low	103 Å²	103	133.8 Å²	133.8	55%	0.551	75%	0.749	S	S	*	*				83.4	117	82.7	-76.4	-55.7	0	0	0	115.2	K275	K275-D277 WeakPolarHBondContact CE-OD1 3.43Å; K275-D277 WeakPolarHBondContact CE-OD2 3.44Å; K275-D277 IonicContact NZ-OD1 3.9Å; K275-D277 PolarHBondContact NZ-OD1 3.4Å
278	A	27.3	Very low	27.5	Very low	106 Å²	106	136.3 Å²	136.3	88%	0.876	75%	0.75	S	S	*	*			trans	-163.7	95.4	164.7	0	0	0	0	0	108.7
279	E	28	Very low	27.5	Very low	174 Å²	174	138.9 Å²	138.9	81%	0.813	75%	0.749	S	S	*	*			trans	-103.6	150.6	169.5	-66.5	-177.4	172.3	0	0	109.7
280	M	26.4	Very low	27.5	Very low	139 Å²	139	139.3 Å²	139.3	69%	0.685	75%	0.747	S	S	*	*				169.4	147.7	109.4	-166.8	156.5	48.3	0	0	112
281	Y	27.5	Very low	28.5	Very low	198 Å²	198	140.2 Å²	140.2	78%	0.776	75%	0.751	S	S	*	*			trans	70.9	147.8	172.4	-53.9	-53.8	0	0	0	118.9
282	S	26.3	Very low	29.5	Very low	86 Å²	86	137.6 Å²	137.6	60%	0.601	74%	0.742	S	S	*	*			cis	-172.7	136.7	-24	-175.7	0	0	0	0	111.1
283	M	30.5	Very low	29.5	Very low	175 Å²	175	137 Å²	137	86%	0.862	74%	0.744	S	S	*	*			trans	61.6	130.5	161.3	-70.6	167.9	-174.8	0	0	117.4
284	A	30.9	Very low	29.5	Very low	84 Å²	84	132.8 Å²	132.8	69%	0.694	74%	0.738	S	S	*	*				80.8	139	56.5	0	0	0	0	0	112.5
285	D	29.5	Very low	29.6	Very low	150 Å²	150	132.7 Å²	132.7	80%	0.802	74%	0.743	S	S	*	*			cis	-153.5	-158.1	6.7	-134.1	-39.6	0	0	0	111.9
286	D	29.4	Very low	29.5	Very low	145 Å²	145	131 Å²	131	78%	0.775	75%	0.75	S	S	*	*			trans	83.7	142.5	163.6	-66.7	-30.1	0	0	0	119.9
287	V	30.1	Very low	30.4	Very low	113 Å²	113	130.2 Å²	130.2	69%	0.685	75%	0.748	S	S	*	*			cis	-169.9	143.2	-30.1	115.4	0	0	0	0	108.5
288	F	26.1	Very low	30.4	Very low	177 Å²	177	129.8 Å²	129.8	78%	0.776	76%	0.758	S	S	*	*			trans	42.7	146.8	165	-82.6	-114.3	0	0	0	119.7
289	E	28.6	Very low	30.3	Very low	164 Å²	164	129.5 Å²	129.5	77%	0.766	75%	0.75	S	S	*	*			cis	-157.2	-167.5	22.9	-158.8	147.9	-152.7	0	0	110.3
290	S	26.1	Very low	30.1	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	74%	0.744	S	S	*	*			trans	-146	-164.6	179.6	-65.1	0	0	0	0	111.2
291	P	47.6	Very low	30	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	75%	0.752	S	S	*	*				-110.6	-128.3	-88.8	37.6	-20.3	0	0	0	109.3
292	P	48.3	Very low	29.7	Very low	95 Å²	95	128.8 Å²	128.8	62%	0.617	75%	0.754	S	S	*	*			cis	-131.7	-172.5	-35.7	37.3	-19	0	0	0	114.2
293	M	27	Very low	29.6	Very low	172 Å²	172	134 Å²	134	85%	0.847	77%	0.766	S	S	*	*			trans	66.5	163.2	146.1	-80.9	169.4	72.4	0	0	118.9
294	S	27.8	Very low	29.8	Very low	97 Å²	97	131.9 Å²	131.9	68%	0.678	77%	0.765	S	S	*	*			cis	-164.3	164.8	-18.7	50.2	0	0	0	0	109.5
295	A	27.6	Very low	29.5	Very low	97 Å²	97	132.7 Å²	132.7	80%	0.802	77%	0.766	S	S	*	*			trans	158.4	129.3	138.8	0	0	0	0	0	113.6
296	S	23.9	Very low	29.4	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	77%	0.771	S	S	*	*			trans	-90.6	-166.9	162.9	-48.4	0	0	0	0	108.8
297	P	43.4	Very low	29.3	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	77%	0.77	S	S	*	*			cis	-146.1	-173	1.7	41.3	-19.7	0	0	0	117.9
298	A	26	Very low	29.2	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	78%	0.775	S	S	*	*			trans	100.7	150.2	131.8	0	0	0	0	0	123.3
299	S	25.2	Very low	29.3	Very low	101 Å²	101	134.9 Å²	134.9	71%	0.706	78%	0.777	S	S	*	*			trans	67	106.3	159.6	-168.4	0	0	0	0	118.9
300	T	24.1	Very low	29.2	Very low	111 Å²	111	132.4 Å²	132.4	68%	0.681	78%	0.778	S	S	*	*				80.2	106.6	50.5	72.6	0	0	0	0	117.7
301	K	24.6	Very low	29.3	Very low	197 Å²	197	133.6 Å²	133.6	86%	0.857	78%	0.781	S	S	*	*				171	131.1	113	-91.1	160.3	-175.2	171.7	0	115.8
302	K	21.4	Very low	28.4	Very low	187 Å²	187	137.3 Å²	137.3	81%	0.813	79%	0.785	S	S	*	*			trans	11.9	130.4	150	-63	-178.8	176.5	-177	0	122.3
303	F	22.7	Very low	27.3	Very low	197 Å²	197	139.3 Å²	139.3	86%	0.864	80%	0.796	S	S	*	*				35.7	146.9	118.6	-73.5	-74.8	0	0	0	121.2
304	P	35.3	Very low	27.6	Very low	130 Å²	130	137 Å²	137	84%	0.844	79%	0.794	S	S	*	*			cis	-143.3	-168.7	46.3	42.1	-21.8	0	0	0	117.9
305	S	25.5	Very low	27.9	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	80%	0.802	S	S	*	*			trans	-103.6	159.3	-172.5	164.5	0	0	0	0	113.6
306	L	26.2	Very low	28	Very low	174 Å²	174	140 Å²	140	91%	0.911	80%	0.799	S	S	*	*			trans	-147.9	176.9	151.1	-140.1	92.2	0	0	0	112.4
307	K	27.8	Very low	28.3	Very low	174 Å²	174	141 Å²	141	76%	0.757	80%	0.8	S	S	*	*			trans	-110.2	160.4	-156.8	-68.8	-175.7	176.7	-176.6	0	116.8
308	D	28.8	Very low	27.8	Very low	145 Å²	145	140.8 Å²	140.8	78%	0.775	80%	0.799	S	S	*	*			trans	29.6	117	141	-55.2	-45.4	0	0	0	120.8
309	V	27.4	Very low	27.9	Very low	137 Å²	137	145.5 Å²	145.5	83%	0.83	81%	0.805	S	S	*	*			trans	-140.7	137.8	144.4	-177.5	0	0	0	0	109.6	V311	V309-V311 HydrophobicContact CG1-CG2 4.15Å
310	S	26.7	Very low	28.4	Very low	113 Å²	113	150.3 Å²	150.3	79%	0.79	81%	0.813	S	S	*	*			trans	-108.8	132.6	173.3	179.1	0	0	0	0	110.9
311	V	27.2	Very low	28.8	Very low	129 Å²	129	148.4 Å²	148.4	78%	0.782	82%	0.815	S	S	*	*			trans	-134.8	132.8	175.5	-177.6	0	0	0	0	110.2	V309	V309-V311 HydrophobicContact CG1-CG2 4.15Å
312	K	29.5	Very low	29.3	Very low	197 Å²	197	146.9 Å²	146.9	86%	0.857	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-88.4	138.4	176.5	-61.7	171.1	-178.4	171.8	0	110.5
313	T	26.1	Very low	30.2	Very low	138 Å²	138	143.2 Å²	143.2	85%	0.847	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-92.9	151.4	164.3	29.1	0	0	0	0	111.8
314	P	32.9	Very low	31.1	Very low	124 Å²	124	139.9 Å²	139.9	81%	0.805	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-88.4	167.8	-163.9	34.8	-37.5	0	0	0	115.4
315	I	34.4	Very low	31.8	Very low	167 Å²	167	146.2 Å²	146.2	86%	0.856	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.5	136	178.3	-63.4	163.8	0	0	0	110.8
316	A	28.6	Very low	32.9	Very low	90 Å²	90	144.7 Å²	144.7	74%	0.744	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-103.4	141.3	168.2	0	0	0	0	0	111.4
317	V	29.9	Very low	33.9	Very low	135 Å²	135	146.9 Å²	146.9	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-84.6	137.7	-176.5	178.2	0	0	0	0	111.1	E319	V317-E319 PolarHBondContact O-N 3.4Å
318	P	34.3	Very low	34.9	Very low	116 Å²	116	148.2 Å²	148.2	75%	0.753	81%	0.813	S	S	*	*			trans	-81	115.1	178.2	30.9	-34	0	0	0	112.8
319	E	27.3	Very low	36.1	Very low	193 Å²	193	147.8 Å²	147.8	90%	0.902	81%	0.809	S	S	*	*			trans	-76.2	137.1	173.4	-167.9	177.5	-158.5	0	0	112.1	V317 G321	V317-E319 PolarHBondContact O-N 3.4Å; E319-G321 PolarHBondContact O-N 3.47Å; E319-G321 VanDerWaalsContact O-N 3.15Å
320	K	36.6	Very low	36.9	Very low	202 Å²	202	144.8 Å²	144.8	88%	0.878	80%	0.798	S	S	*	*			trans	-87.4	76.4	-173.6	-75.4	-178.1	177.3	172	0	113.4
321	G	31.1	Very low	37.8	Very low	70 Å²	70	142.2 Å²	142.2	72%	0.722	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.6	129.8	169.1	0	0	0	0	0	113.6	E319	E319-G321 PolarHBondContact O-N 3.47Å; E319-G321 VanDerWaalsContact O-N 3.15Å
322	L	36.8	Very low	38.8	Very low	165 Å²	165	140.7 Å²	140.7	86%	0.864	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-71	136.9	173	-92.7	71.7	0	0	0	111.6
323	P	39.8	Very low	39.8	Very low	111 Å²	111	136.1 Å²	136.1	72%	0.721	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-79.2	130.4	-178.7	30.1	-34.1	0	0	0	112.6	R325	P323-R325 PolarHBondContact O-N 2.9Å
324	P	40	Very low	40.7	Very low	126 Å²	126	136.8 Å²	136.8	82%	0.818	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-67.2	117.5	179	25.4	-33.2	0	0	0	112.2	G326	P324-G326 PolarHBondContact O-N 2.89Å
325	R	51.6	Low	41.4	Very low	263 Å²	263	136.5 Å²	136.5	99%	0.992	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	74.2	-170.3	-166	179.5	-171.6	172.3	3	112.7	P323	P323-R325 PolarHBondContact O-N 2.9Å
326	G	47.2	Very low	42.1	Very low	70 Å²	70	135.9 Å²	135.9	72%	0.722	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157	-32.9	177.6	0	0	0	0	0	118.5	P324 R328	P324-G326 PolarHBondContact O-N 2.89Å; G326-R328 PolarHBondContact O-N 3.18Å
327	R	47.1	Very low	43.2	Very low	220 Å²	220	133.6 Å²	133.6	83%	0.83	70%	0.704	S	S	*	*			trans	-80	-16.3	-167.8	-84.9	-177.9	170.6	171.5	-2.1	116.9	I329 A330 S331	R327-I329 PolarHBondContact O-N 3.42Å; R327-I329 VanDerWaalsContact O-N 3.13Å; R327-A330 PolarHBondContact O-N 3.1Å; R327-S331 PolarHBondContact O-N 3.29Å; R327-S331 PolarHBondContact O-OG 3.48Å; R327-S331 VanDerWaalsContact O-OG 3.06Å
328	R	50.3	Low	44.1	Very low	202 Å²	202	134.6 Å²	134.6	76%	0.762	70%	0.698	S	S	*	*	H	α-helix	trans	-48.3	-48.2	-163.5	-78.8	-170.5	179	178.7	-0.1	115.2	G326 S331 Q332	G326-R328 PolarHBondContact O-N 3.18Å; R328-S331 VanDerWaalsContact CA-OG 3.32Å; R328-S331 WeakPolarHBondContact CA-OG 3.32Å; R328-S331 PolarHBondContact O-N 3.43Å; R328-S331 PolarHBondContact O-OG 3.45Å; R328-Q332 VanDerWaalsContact O-CB 3.28Å; R328-Q332 WeakPolarHBondContact O-CB 3.28Å; R328-Q332 VanDerWaalsContact O-CG 3.24Å; R328-Q332 WeakPolarHBondContact O-CG 3.43Å; R328-Q332 PolarHBondContact O-N 3Å; R328-Q332 PolarHBondContact O-OE1 2.96Å
329	I	52.5	Low	44.8	Very low	135 Å²	135	131.6 Å²	131.6	69%	0.692	68%	0.676	S	S	*	*	H	α-helix	trans	-67.5	-50.2	-173.9	-56.5	175.9	0	0	0	111.2	R327 S331 Q332 V333	R327-I329 PolarHBondContact O-N 3.42Å; R327-I329 VanDerWaalsContact O-N 3.13Å; I329-S331 VanDerWaalsContact C-N 3.34Å; I329-S331 PolarHBondContact O-N 2.81Å; I329-Q332 PolarHBondContact O-N 3.28Å; I329-V333 WeakPolarHBondContact O-CG2 3.19Å; I329-V333 PolarHBondContact O-N 3.12Å
330	A	44.3	Very low	46.1	Very low	74 Å²	74	131.2 Å²	131.2	61%	0.612	67%	0.671	S	S	*	*	H	α-helix	trans	-66.7	-34.6	178.7	0	0	0	0	0	112.4	R327 K334	R327-A330 PolarHBondContact O-N 3.1Å; A330-K334 PolarHBondContact O-N 3.34Å
331	S	47	Very low	47.1	Very low	60 Å²	60	127.1 Å²	127.1	42%	0.42	66%	0.655	S	S	.	*	H	α-helix	trans	-68.6	-40.8	172.4	56.3	0	0	0	0	112.2	R327 R328 I329 K334 H335	R327-S331 PolarHBondContact O-N 3.29Å; R327-S331 PolarHBondContact O-OG 3.48Å; R327-S331 VanDerWaalsContact O-OG 3.06Å; R328-S331 VanDerWaalsContact CA-OG 3.32Å; R328-S331 WeakPolarHBondContact CA-OG 3.32Å; R328-S331 PolarHBondContact O-N 3.43Å; R328-S331 PolarHBondContact O-OG 3.45Å; I329-S331 VanDerWaalsContact C-N 3.34Å; I329-S331 PolarHBondContact O-N 2.81Å; S331-K334 PolarHBondContact O-N 3.4Å; S331-H335 WeakPolarHBondContact O-CB 3.35Å; S331-H335 PolarHBondContact O-N 2.98Å
332	Q	47.1	Very low	48.6	Very low	97 Å²	97	127.6 Å²	127.6	45%	0.453	64%	0.637	S	S	.	*	H	α-helix	trans	-65.6	-43.6	178.8	-79.2	175.4	-80.3	0	0	112	R328 I329 K334 H335 F336	R328-Q332 VanDerWaalsContact O-CB 3.28Å; R328-Q332 WeakPolarHBondContact O-CB 3.28Å; R328-Q332 VanDerWaalsContact O-CG 3.24Å; R328-Q332 WeakPolarHBondContact O-CG 3.43Å; R328-Q332 PolarHBondContact O-N 3Å; R328-Q332 PolarHBondContact O-OE1 2.96Å; I329-Q332 PolarHBondContact O-N 3.28Å; Q332-K334 VanDerWaalsContact C-N 3.34Å; Q332-K334 PolarHBondContact O-N 2.92Å; Q332-H335 PolarHBondContact O-N 2.93Å; Q332-H335 VanDerWaalsContact O-N 3.13Å; Q332-F336 HydrophobicContact CB-CD2 4.34Å; Q332-F336 HydrophobicContact CB-CE2 4.27Å; Q332-F336 WeakPolarHBondContact O-CD2 3.47Å; Q332-F336 PolarHBondContact O-N 3.23Å
333	V	51.5	Low	50.2	Low	100 Å²	100	120.7 Å²	120.7	61%	0.606	60%	0.6	S	S	*	*	H	α-helix	trans	-63.5	-39.8	177.3	176.2	0	0	0	0	111.3	I329 A337	I329-V333 WeakPolarHBondContact O-CG2 3.19Å; I329-V333 PolarHBondContact O-N 3.12Å; V333-A337 WeakPolarHBondContact O-CB 3.23Å; V333-A337 PolarHBondContact O-N 2.89Å
334	K	45.2	Very low	51.5	Low	153 Å²	153	118.4 Å²	118.4	67%	0.665	58%	0.582	S	S	*	*	H	α-helix	trans	-65.3	-39.9	170.4	-85	-165.7	170.9	-170.4	0	112.8	A330 S331 Q332 F338	A330-K334 PolarHBondContact O-N 3.34Å; S331-K334 PolarHBondContact O-N 3.4Å; Q332-K334 VanDerWaalsContact C-N 3.34Å; Q332-K334 PolarHBondContact O-N 2.92Å; K334-F338 WeakPolarHBondContact O-CB 3.42Å; K334-F338 WeakPolarHBondContact O-CD2 3.27Å; K334-F338 PolarHBondContact O-N 3.22Å; K334-F338 VanDerWaalsContact O-N 3.09Å
335	H	46.6	Very low	53	Low	118 Å²	118	112.7 Å²	112.7	55%	0.546	54%	0.544	S	S	.	.	H	α-helix	trans	-60.8	-55.8	177	-138.9	-74.8	0	0	0	110.3	S331 Q332 A337 F338 D339	S331-H335 WeakPolarHBondContact O-CB 3.35Å; S331-H335 PolarHBondContact O-N 2.98Å; Q332-H335 PolarHBondContact O-N 2.93Å; Q332-H335 VanDerWaalsContact O-N 3.13Å; H335-A337 VanDerWaalsContact C-N 3.27Å; H335-A337 PolarHBondContact O-N 3.42Å; H335-F338 PolarHBondContact O-N 3.21Å; H335-D339 IonicContact CE1-OD1 2.8Å; H335-D339 IonicContact CE1-OD2 3.35Å; H335-D339 PolarHBondContact CE1-OD2 3.34Å; H335-D339 VanDerWaalsContact CE1-OD2 3.29Å; H335-D339 IonicContact ND1-OD1 2.85Å; H335-D339 IonicContact ND1-OD2 2.81Å; H335-D339 PolarHBondContact ND1-OD2 3.38Å; H335-D339 WeakPolarHBondContact O-CA 3.47Å; H335-D339 VanDerWaalsContact O-CB 3.23Å; H335-D339 WeakPolarHBondContact O-CB 3.35Å; H335-D339 PolarHBondContact O-N 3.5Å
336	F	50.6	Low	53.7	Low	154 Å²	154	100.2 Å²	100.2	68%	0.675	50%	0.497	S	S	*	.	H	α-helix	trans	-62.7	-28.2	-177.1	-74.1	-62.9	0	0	0	114.5	Q332	Q332-F336 HydrophobicContact CB-CD2 4.34Å; Q332-F336 HydrophobicContact CB-CE2 4.27Å; Q332-F336 WeakPolarHBondContact O-CD2 3.47Å; Q332-F336 PolarHBondContact O-N 3.23Å
337	A	50.5	Low	54.7	Low	41 Å²	41	98.1 Å²	98.1	34%	0.339	47%	0.469	S	S	.	.	H	α-helix	trans	-83	-31	177.8	0	0	0	0	0	113.9	V333 H335 Y382	V333-A337 WeakPolarHBondContact O-CB 3.23Å; V333-A337 PolarHBondContact O-N 2.89Å; H335-A337 VanDerWaalsContact C-N 3.27Å; H335-A337 PolarHBondContact O-N 3.42Å; A337-Y382 PolarHBondContact O-OH 3.02Å
338	F	49.8	Very low	55.9	Low	157 Å²	157	87.7 Å²	87.7	69%	0.689	43%	0.43	S	S	*	.	H	α-helix	trans	-121.4	7.9	-171.1	-62.6	-75	0	0	0	114.7	K334 H335 K340	K334-F338 WeakPolarHBondContact O-CB 3.42Å; K334-F338 WeakPolarHBondContact O-CD2 3.27Å; K334-F338 PolarHBondContact O-N 3.22Å; K334-F338 VanDerWaalsContact O-N 3.09Å; H335-F338 PolarHBondContact O-N 3.21Å; F338-K340 PolarHBondContact O-N 3.08Å
339	D	48.5	Very low	57.1	Low	53 Å²	53	81.3 Å²	81.3	28%	0.283	41%	0.414	S	S	.	.			trans	-57.8	131.5	180	-142.1	-30.5	0	0	0	111.3	H335 Q341	H335-D339 IonicContact CE1-OD1 2.8Å; H335-D339 IonicContact CE1-OD2 3.35Å; H335-D339 PolarHBondContact CE1-OD2 3.34Å; H335-D339 VanDerWaalsContact CE1-OD2 3.29Å; H335-D339 IonicContact ND1-OD1 2.85Å; H335-D339 IonicContact ND1-OD2 2.81Å; H335-D339 PolarHBondContact ND1-OD2 3.38Å; H335-D339 WeakPolarHBondContact O-CA 3.47Å; H335-D339 VanDerWaalsContact O-CB 3.23Å; H335-D339 WeakPolarHBondContact O-CB 3.35Å; H335-D339 PolarHBondContact O-N 3.5Å; D339-Q341 HydrophobicContact CB-CG 4.11Å; D339-Q341 PolarHBondContact O-N 3.28Å; D339-Q341 PolarHBondContact OD2-NE2 2.67Å
340	K	53.7	Low	58.2	Low	184 Å²	184	75.9 Å²	75.9	80%	0.8	39%	0.386	S	S	*	.			trans	-81.4	35.7	-179.4	-151.2	-175.6	-178.6	-170.6	0	111.2	F338 K342	F338-K340 PolarHBondContact O-N 3.08Å; K340-K342 PolarHBondContact O-N 3.45Å
341	Q	58	Low	59.5	Low	117 Å²	117	72.4 Å²	72.4	55%	0.547	36%	0.358	S	S	.	.			trans	-61.3	105.2	172.8	-72.2	-175	16.2	0	0	109	D339 K652	D339-Q341 HydrophobicContact CB-CG 4.11Å; D339-Q341 PolarHBondContact O-N 3.28Å; D339-Q341 PolarHBondContact OD2-NE2 2.67Å; Q341-K652 PolarHBondContact O-NZ 3.43Å
342	K	61.8	Low	61	Low	80 Å²	80	75.9 Å²	75.9	35%	0.348	37%	0.366	S	S	.	.			trans	-55.3	144.6	170	-160.3	-172.5	-170.7	-168.1	0	108.9	K340 L370 E371 F373	K340-K342 PolarHBondContact O-N 3.45Å; K342-L370 PolarHBondContact NZ-O 3.35Å; K342-E371 VanDerWaalsContact NZ-C 3.3Å; K342-E371 PolarHBondContact NZ-O 3.39Å; K342-F373 WeakPolarHBondContact CE-O 2.93Å
343	R	71.1	Confident	62.5	Low	20 Å²	20	79.9 Å²	79.9	8%	0.075	38%	0.377	C	S	.	.			trans	-105.9	121	174.2	-176	-173.6	180	-80.3	18.6	108.8	D649 K652 E700	R343-D649 WeakPolarHBondContact CD-O 3.41Å; R343-D649 WeakPolarHBondContact CD-OD1 3.39Å; R343-D649 IonicContact CZ-OD2 3.08Å; R343-D649 VanDerWaalsContact CZ-OD2 3.24Å; R343-D649 PolarHBondContact NE-O 2.8Å; R343-D649 VanDerWaalsContact NE-O 3.12Å; R343-D649 IonicContact NE-OD1 3.51Å; R343-D649 PolarHBondContact NE-OD1 3.26Å; R343-D649 IonicContact NE-OD2 2.76Å; R343-D649 PolarHBondContact NE-OD2 2.83Å; R343-D649 IonicContact NH2-OD2 2.67Å; R343-D649 PolarHBondContact NH2-OD2 2.76Å; R343-K652 HydrophobicContact CB-CB 4.35Å; R343-E700 IonicContact CZ-OE1 3.36Å; R343-E700 IonicContact CZ-OE2 2.85Å; R343-E700 IonicContact NH1-OE1 3.03Å; R343-E700 PolarHBondContact NH1-OE1 3.37Å; R343-E700 IonicContact NH1-OE2 3.38Å; R343-E700 IonicContact NH2-OE1 3.63Å; R343-E700 PolarHBondContact NH2-OE1 3.34Å; R343-E700 VanDerWaalsContact NH2-OE1 3.13Å; R343-E700 IonicContact NH2-OE2 3Å; R343-E700 PolarHBondContact NH2-OE2 2.91Å
344	D	68.1	Low	63.7	Low	63 Å²	63	75.4 Å²	75.4	34%	0.337	35%	0.349	S	S	.	.			trans	-78.8	139	179.2	-44.3	-55.6	0	0	0	110.1	G346 M347 Y358	D344-G346 PolarHBondContact O-N 2.56Å; D344-M347 HydrophobicContact CB-CB 3.86Å; D344-M347 PolarHBondContact O-N 2.94Å; D344-Y358 HydrophobicContact CB-CE2 4.33Å; D344-Y358 WeakPolarHBondContact CB-OH 3.41Å
345	Y	71.2	Confident	65.4	Low	5 Å²	5	74 Å²	74	2%	0.02	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	122.2	-172.4	-164.5	-69.5	0	0	0	111.5	M347 Y358 L370 F373 L653 E700 Q703 P755 V757	Y345-M347 VanDerWaalsContact C-N 3.28Å; Y345-Y358 PolarHBondContact N-OH 2.86Å; Y345-Y358 VanDerWaalsContact N-OH 3.12Å; Y345-Y358 WeakPolarHBondContact O-CE1 3.31Å; Y345-Y358 PolarHBondContact O-OH 2.82Å; Y345-L370 VanDerWaalsContact CB-CD1 3.49Å; Y345-F373 HydrophobicContact CD2-CE1 4.3Å; Y345-F373 HydrophobicContact CD2-CE2 4.19Å; Y345-F373 HydrophobicContact CD2-CZ 4.04Å; Y345-F373 HydrophobicContact CE2-CE1 4.41Å; Y345-F373 HydrophobicContact CE2-CZ 4.06Å; Y345-L653 HydrophobicContact CD2-CD1 3.85Å; Y345-L653 HydrophobicContact CD2-CD2 4.23Å; Y345-L653 HydrophobicContact CD2-CG 4.41Å; Y345-L653 HydrophobicContact CE2-CD2 4.24Å; Y345-L653 HydrophobicContact CG-CD1 4.33Å; Y345-E700 HydrophobicContact CD1-CG 4.46Å; Y345-E700 HydrophobicContact CE1-CG 4.14Å; Y345-Q703 HydrophobicContact CE1-CB 4.39Å; Y345-Q703 PolarHBondContact OH-OE1 3.39Å; Y345-P755 PolarHBondContact OH-O 3.16Å; Y345-V757 HydrophobicContact CD2-CG2 4.27Å; Y345-V757 HydrophobicContact CE2-CG2 4.22Å; Y345-V757 HydrophobicContact CG-CG2 4.49Å
346	G	64.8	Low	67	Low	2 Å²	2	69 Å²	69	2%	0.021	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-4.9	-173.8	0	0	0	0	0	115.2	D344 R356 E700	D344-G346 PolarHBondContact O-N 2.56Å; G346-R356 VanDerWaalsContact O-CD 3.31Å; G346-R356 WeakPolarHBondContact O-CD 3.22Å; G346-R356 PolarHBondContact O-NH1 3.28Å; G346-R356 VanDerWaalsContact O-NH1 3.09Å; G346-E700 WeakPolarHBondContact CA-OE1 3.48Å; G346-E700 PolarHBondContact N-OE1 3.1Å
347	M	69.1	Low	68.4	Low	25 Å²	25	65.7 Å²	65.7	12%	0.123	32%	0.315	C	S	.	.			trans	-125.5	21.6	-163.9	-74.5	-70.1	-70.2	0	0	113.4	D344 Y345 K352 R356 Y358	D344-M347 HydrophobicContact CB-CB 3.86Å; D344-M347 PolarHBondContact O-N 2.94Å; Y345-M347 VanDerWaalsContact C-N 3.28Å; M347-K352 WeakPolarHBondContact O-CE 3.23Å; M347-R356 VanDerWaalsContact CE-O 3.31Å; M347-R356 WeakPolarHBondContact CE-O 3.46Å; M347-R356 VanDerWaalsContact SD-C 3.6Å; M347-R356 HydrophobicContact SD-CB 3.64Å; M347-R356 VanDerWaalsContact SD-O 3.39Å; M347-Y358 HydrophobicContact CG-CD1 4.48Å; M347-Y358 HydrophobicContact CG-CD2 4.42Å; M347-Y358 HydrophobicContact CG-CE1 3.89Å; M347-Y358 HydrophobicContact CG-CE2 3.84Å
348	G	72.4	Confident	69.8	Low	2 Å²	2	66.4 Å²	66.4	2%	0.021	31%	0.309	C	S	.	.	S	Bend	trans	-65.6	-166.2	174.8	0	0	0	0	0	115.1	V350 G351 K352 D649	G348-V350 VanDerWaalsContact C-N 3.28Å; G348-V350 PolarHBondContact O-N 3.18Å; G348-G351 CarbonylContact O-C 3.14Å; G348-G351 WeakPolarHBondContact O-CA 3.49Å; G348-G351 PolarHBondContact O-N 3.16Å; G348-K352 PolarHBondContact O-N 2.83Å; G348-D649 WeakPolarHBondContact CA-OD1 3.24Å; G348-D649 WeakPolarHBondContact CA-OD2 3.47Å
349	V	75.4	Confident	71.2	Confident	68 Å²	68	66.3 Å²	66.3	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-49.7	-47.8	-179.1	174	0	0	0	0	111.9	K352 W353 D649	V349-K352 PolarHBondContact O-N 2.86Å; V349-W353 PolarHBondContact O-N 3.43Å; V349-W353 VanDerWaalsContact O-N 3.08Å; V349-D649 HydrophobicContact CB-CB 4.42Å; V349-D649 HydrophobicContact CG2-CB 4.21Å; V349-D649 VanDerWaalsContact N-CG 3.3Å; V349-D649 PolarHBondContact N-OD1 3.36Å; V349-D649 PolarHBondContact N-OD2 3.49Å
350	V	74.9	Confident	72.3	Confident	20 Å²	20	76.1 Å²	76.1	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-39.4	176.8	-177.8	0	0	0	0	111.4	G348 K352 W353 L354 V646 L697 L718	G348-V350 VanDerWaalsContact C-N 3.28Å; G348-V350 PolarHBondContact O-N 3.18Å; V350-K352 VanDerWaalsContact C-N 3.33Å; V350-K352 PolarHBondContact O-N 2.97Å; V350-W353 PolarHBondContact O-N 2.95Å; V350-L354 HydrophobicContact CG1-CD1 3.92Å; V350-L354 HydrophobicContact CG1-CG 4.08Å; V350-L354 WeakPolarHBondContact O-CB 3.4Å; V350-L354 VanDerWaalsContact O-CG 3.22Å; V350-L354 WeakPolarHBondContact O-CG 3.31Å; V350-L354 PolarHBondContact O-N 3.05Å; V350-V646 HydrophobicContact CG2-CG2 4.06Å; V350-L697 HydrophobicContact CB-CD1 4.39Å; V350-L697 HydrophobicContact CB-CD2 4.46Å; V350-L697 HydrophobicContact CG1-CD1 4.31Å; V350-L697 HydrophobicContact CG2-CD1 3.94Å; V350-L697 HydrophobicContact CG2-CD2 4.44Å; V350-L718 HydrophobicContact CG1-CD1 4.27Å
351	G	72.7	Confident	73.3	Confident	2 Å²	2	71.3 Å²	71.3	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-60.6	-40.3	176.8	0	0	0	0	0	113.2	G348 L354 N355 R356	G348-G351 CarbonylContact O-C 3.14Å; G348-G351 WeakPolarHBondContact O-CA 3.49Å; G348-G351 PolarHBondContact O-N 3.16Å; G351-L354 PolarHBondContact O-N 3.09Å; G351-N355 PolarHBondContact O-N 2.65Å; G351-R356 WeakPolarHBondContact O-CB 3.32Å; G351-R356 PolarHBondContact O-N 2.84Å
352	K	78.3	Confident	74.3	Confident	132 Å²	132	68.3 Å²	68.3	57%	0.574	31%	0.314	S	S	*	.	H	α-helix	trans	-67.4	-46	175.6	-68.7	175	-177.3	179.5	0	111.7	M347 G348 V349 V350 L354 N355	M347-K352 WeakPolarHBondContact O-CE 3.23Å; G348-K352 PolarHBondContact O-N 2.83Å; V349-K352 PolarHBondContact O-N 2.86Å; V350-K352 VanDerWaalsContact C-N 3.33Å; V350-K352 PolarHBondContact O-N 2.97Å; K352-L354 VanDerWaalsContact C-N 3.32Å; K352-L354 PolarHBondContact O-N 3.12Å; K352-N355 WeakPolarHBondContact O-CA 3.34Å; K352-N355 PolarHBondContact O-N 3.5Å
353	W	79.3	Confident	75	Confident	181 Å²	181	67.7 Å²	67.7	69%	0.686	32%	0.32	S	S	*	.	H	α-helix	trans	-63.3	-36.5	175.5	178.9	67.4	0	0	0	112.9	V349 V350 N355 V721	V349-W353 PolarHBondContact O-N 3.43Å; V349-W353 VanDerWaalsContact O-N 3.08Å; V350-W353 PolarHBondContact O-N 2.95Å; W353-N355 PolarHBondContact O-N 3.13Å; W353-V721 HydrophobicContact CH2-CG2 3.66Å; W353-V721 HydrophobicContact CZ3-CG2 3.81Å
354	L	76.1	Confident	75.3	Confident	7 Å²	7	71 Å²	71	4%	0.037	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.6	173.1	-66.5	-173.6	0	0	0	113.8	V350 G351 K352 R356 K717 L718	V350-L354 HydrophobicContact CG1-CD1 3.92Å; V350-L354 HydrophobicContact CG1-CG 4.08Å; V350-L354 WeakPolarHBondContact O-CB 3.4Å; V350-L354 VanDerWaalsContact O-CG 3.22Å; V350-L354 WeakPolarHBondContact O-CG 3.31Å; V350-L354 PolarHBondContact O-N 3.05Å; G351-L354 PolarHBondContact O-N 3.09Å; K352-L354 VanDerWaalsContact C-N 3.32Å; K352-L354 PolarHBondContact O-N 3.12Å; L354-R356 HydrophobicContact CB-CG 4.21Å; L354-K717 HydrophobicContact CB-CD 4.42Å; L354-K717 HydrophobicContact CD2-CB 3.56Å; L354-K717 HydrophobicContact CD2-CD 3.88Å; L354-K717 HydrophobicContact CD2-CG 4.39Å; L354-K717 PolarHBondContact O-NZ 3.36Å; L354-L718 HydrophobicContact CD1-CB 4.17Å; L354-L718 HydrophobicContact CD1-CD1 4.45Å
355	N	79.9	Confident	75.9	Confident	123 Å²	123	73.8 Å²	73.8	66%	0.658	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	54.2	-174.1	-161.9	0.5	0	0	0	112.1	G351 K352 W353	G351-N355 PolarHBondContact O-N 2.65Å; K352-N355 WeakPolarHBondContact O-CA 3.34Å; K352-N355 PolarHBondContact O-N 3.5Å; W353-N355 PolarHBondContact O-N 3.13Å
356	R	79.9	Confident	76.2	Confident	13 Å²	13	73.8 Å²	73.8	5%	0.049	36%	0.362	C	S	.	.			trans	-78.5	151.8	170.1	-64.1	-177	-177.2	179.4	-6.4	110.2	G346 M347 G351 L354 L708 A714	G346-R356 VanDerWaalsContact O-CD 3.31Å; G346-R356 WeakPolarHBondContact O-CD 3.22Å; G346-R356 PolarHBondContact O-NH1 3.28Å; G346-R356 VanDerWaalsContact O-NH1 3.09Å; M347-R356 VanDerWaalsContact CE-O 3.31Å; M347-R356 WeakPolarHBondContact CE-O 3.46Å; M347-R356 VanDerWaalsContact SD-C 3.6Å; M347-R356 HydrophobicContact SD-CB 3.64Å; M347-R356 VanDerWaalsContact SD-O 3.39Å; G351-R356 WeakPolarHBondContact O-CB 3.32Å; G351-R356 PolarHBondContact O-N 2.84Å; L354-R356 HydrophobicContact CB-CG 4.21Å; R356-L708 HydrophobicContact CB-CD2 4.18Å; R356-A714 HydrophobicContact CG-CB 3.96Å
357	N	80.2	Confident	76.9	Confident	84 Å²	84	78.2 Å²	78.2	45%	0.449	38%	0.382	S	S	.	.			trans	-141.8	150.4	169.7	-73.8	-50.9	0	0	0	109.6	E709	N357-E709 PolarHBondContact O-N 3.28Å
358	Y	80.4	Confident	77.3	Confident	56 Å²	56	84.4 Å²	84.4	22%	0.22	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-70.5	157.9	167.1	-63.9	-56.9	0	0	0	111.7	D344 Y345 M347 L370 M707	D344-Y358 HydrophobicContact CB-CE2 4.33Å; D344-Y358 WeakPolarHBondContact CB-OH 3.41Å; Y345-Y358 PolarHBondContact N-OH 2.86Å; Y345-Y358 VanDerWaalsContact N-OH 3.12Å; Y345-Y358 WeakPolarHBondContact O-CE1 3.31Å; Y345-Y358 PolarHBondContact O-OH 2.82Å; M347-Y358 HydrophobicContact CG-CD1 4.48Å; M347-Y358 HydrophobicContact CG-CD2 4.42Å; M347-Y358 HydrophobicContact CG-CE1 3.89Å; M347-Y358 HydrophobicContact CG-CE2 3.84Å; Y358-L370 HydrophobicContact CE1-CD2 4.45Å; Y358-L370 HydrophobicContact CE2-CD2 4.03Å; Y358-M707 CarbonylContact C-O 3.39Å; Y358-M707 WeakPolarHBondContact CA-O 3.12Å; Y358-M707 HydrophobicContact CD1-CB 4.28Å; Y358-M707 HydrophobicContact CE1-CE 4.28Å
359	R	78.8	Confident	77.5	Confident	156 Å²	156	87.7 Å²	87.7	59%	0.589	42%	0.423	S	S	*	.			trans	-64.6	141.1	167.4	-167.5	176	-173.2	162.1	1.4	109.8	S361 L362 M707	R359-S361 PolarHBondContact O-N 3.26Å; R359-S361 VanDerWaalsContact O-N 3.11Å; R359-L362 HydrophobicContact CB-CD2 4.37Å; R359-M707 PolarHBondContact N-O 3.49Å
360	R	72.4	Confident	77.6	Confident	258 Å²	258	85.6 Å²	85.6	97%	0.974	41%	0.409	S	S	*	.	S	Bend	trans	-61.2	-18.5	-178.5	-70.1	-176.1	179.1	173.9	-1.2	114.8
361	S	75.1	Confident	77.5	Confident	84 Å²	84	90.3 Å²	90.3	59%	0.587	43%	0.43	S	S	*	.			trans	-129.2	127.2	171.6	48.1	0	0	0	0	109.7	R359	R359-S361 PolarHBondContact O-N 3.26Å; R359-S361 VanDerWaalsContact O-N 3.11Å
362	L	78.1	Confident	77.6	Confident	53 Å²	53	95.5 Å²	95.5	28%	0.277	46%	0.457	S	S	.	.			trans	-124.6	158.7	169.2	-62.5	175.6	0	0	0	107.1	R359 M707	R359-L362 HydrophobicContact CB-CD2 4.37Å; L362-M707 HydrophobicContact CD1-CE 4.17Å; L362-M707 HydrophobicContact CD2-CB 4.08Å; L362-M707 HydrophobicContact CD2-CG 4.23Å
363	S	77.6	Confident	77.4	Confident	67 Å²	67	91.3 Å²	91.3	47%	0.469	44%	0.439	S	S	.	.			trans	-73.5	146.1	174.6	56.2	0	0	0	0	111	N365 V366 Q367	S363-N365 PolarHBondContact O-N 2.8Å; S363-V366 PolarHBondContact O-N 3.01Å; S363-V366 VanDerWaalsContact OG-CG2 3.23Å; S363-V366 WeakPolarHBondContact OG-CG2 3.49Å; S363-Q367 PolarHBondContact O-N 2.73Å
364	S	77.3	Confident	77	Confident	90 Å²	90	89.3 Å²	89.3	63%	0.629	44%	0.437	S	S	*	.	H	α-helix	trans	-52.9	-40.5	-179	48.8	0	0	0	0	113	V366 Q367 K368	S364-V366 PolarHBondContact O-N 2.77Å; S364-Q367 PolarHBondContact O-N 3.44Å; S364-K368 WeakPolarHBondContact O-CB 3.39Å; S364-K368 PolarHBondContact O-N 3.44Å
365	N	79.4	Confident	77	Confident	122 Å²	122	91 Å²	91	65%	0.652	45%	0.449	S	S	*	.	H	α-helix	trans	-63.2	-39.7	176.9	-66.3	-9.9	0	0	0	112.6	S363 Q369	S363-N365 PolarHBondContact O-N 2.8Å; N365-Q369 WeakPolarHBondContact O-CG 3.38Å; N365-Q369 PolarHBondContact O-N 2.84Å
366	V	78.9	Confident	77.2	Confident	4 Å²	4	89.1 Å²	89.1	2%	0.024	44%	0.436	C	S	.	.	H	α-helix	trans	-72.3	-39.2	177.6	170.7	0	0	0	0	110.8	S363 S364 Q369 L370 M707 V757 F759	S363-V366 PolarHBondContact O-N 3.01Å; S363-V366 VanDerWaalsContact OG-CG2 3.23Å; S363-V366 WeakPolarHBondContact OG-CG2 3.49Å; S364-V366 PolarHBondContact O-N 2.77Å; V366-Q369 PolarHBondContact O-N 3.45Å; V366-L370 WeakPolarHBondContact O-CB 3.32Å; V366-L370 PolarHBondContact O-N 3.41Å; V366-M707 HydrophobicContact CG1-CE 3.74Å; V366-M707 HydrophobicContact CG1-CG 4.33Å; V366-M707 HydrophobicContact CG1-SD 4.04Å; V366-V757 HydrophobicContact CG1-CG1 4.27Å; V366-F759 HydrophobicContact CB-CE1 4.4Å; V366-F759 HydrophobicContact CG1-CE1 3.94Å; V366-F759 HydrophobicContact CG2-CD1 3.47Å; V366-F759 VanDerWaalsContact CG2-CD1 3.47Å; V366-F759 HydrophobicContact CG2-CE1 3.5Å
367	Q	78.9	Confident	77.5	Confident	95 Å²	95	96.6 Å²	96.6	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-46	173.5	-179.6	171.6	-13.6	0	0	111.1	S363 S364 Q369 L370 E371	S363-Q367 PolarHBondContact O-N 2.73Å; S364-Q367 PolarHBondContact O-N 3.44Å; Q367-Q369 PolarHBondContact O-N 2.93Å; Q367-L370 WeakPolarHBondContact O-CB 3.37Å; Q367-L370 PolarHBondContact O-N 2.64Å; Q367-L370 VanDerWaalsContact O-N 3.12Å; Q367-E371 HydrophobicContact CG-CG 4.42Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.39Å; Q367-E371 PolarHBondContact NE2-OE1 2.92Å; Q367-E371 WeakPolarHBondContact O-CB 3.36Å; Q367-E371 WeakPolarHBondContact O-CG 3.42Å; Q367-E371 PolarHBondContact O-N 3.3Å
368	K	77.3	Confident	78	Confident	156 Å²	156	93 Å²	93	68%	0.678	45%	0.446	S	S	*	.	H	α-helix	trans	-60	-42.2	175.5	-170.5	174.6	-180	-180	0	111.9	S364 E371 D372	S364-K368 WeakPolarHBondContact O-CB 3.39Å; S364-K368 PolarHBondContact O-N 3.44Å; K368-E371 PolarHBondContact O-N 3.47Å; K368-D372 WeakPolarHBondContact O-CB 3.36Å; K368-D372 PolarHBondContact O-N 2.84Å
369	Q	76.6	Confident	78.6	Confident	70 Å²	70	96.7 Å²	96.7	33%	0.327	46%	0.46	S	S	.	.	H	α-helix	trans	-60.7	-43.6	172.6	-77.2	-167.1	-26.7	0	0	112.4	N365 V366 Q367 E371 D372 F373 T758	N365-Q369 WeakPolarHBondContact O-CG 3.38Å; N365-Q369 PolarHBondContact O-N 2.84Å; V366-Q369 PolarHBondContact O-N 3.45Å; Q367-Q369 PolarHBondContact O-N 2.93Å; Q369-E371 VanDerWaalsContact C-N 3.32Å; Q369-E371 PolarHBondContact O-N 3.04Å; Q369-D372 PolarHBondContact O-N 2.74Å; Q369-F373 VanDerWaalsContact O-CD2 3.24Å; Q369-F373 WeakPolarHBondContact O-CD2 3.34Å; Q369-F373 PolarHBondContact O-N 3.08Å; Q369-T758 PolarHBondContact NE2-OG1 2.9Å; Q369-T758 PolarHBondContact OE1-OG1 3.44Å
370	L	77.7	Confident	79.5	Confident	24 Å²	24	89.9 Å²	89.9	13%	0.126	44%	0.435	C	S	.	.	H	α-helix	trans	-66.1	-33.5	177.3	-177	62.9	0	0	0	112.7	K342 Y345 Y358 V366 Q367 M707	K342-L370 PolarHBondContact NZ-O 3.35Å; Y345-L370 VanDerWaalsContact CB-CD1 3.49Å; Y358-L370 HydrophobicContact CE1-CD2 4.45Å; Y358-L370 HydrophobicContact CE2-CD2 4.03Å; V366-L370 WeakPolarHBondContact O-CB 3.32Å; V366-L370 PolarHBondContact O-N 3.41Å; Q367-L370 WeakPolarHBondContact O-CB 3.37Å; Q367-L370 PolarHBondContact O-N 2.64Å; Q367-L370 VanDerWaalsContact O-N 3.12Å; L370-M707 HydrophobicContact CD2-CE 4Å
371	E	71.7	Confident	80.6	Confident	119 Å²	119	77.6 Å²	77.6	56%	0.556	39%	0.389	S	S	*	.	H	α-helix	trans	-73.1	-32.9	175.5	-75.4	173	-166.5	0	0	112.2	K342 Q367 K368 Q369	K342-E371 VanDerWaalsContact NZ-C 3.3Å; K342-E371 PolarHBondContact NZ-O 3.39Å; Q367-E371 HydrophobicContact CG-CG 4.42Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.39Å; Q367-E371 PolarHBondContact NE2-OE1 2.92Å; Q367-E371 WeakPolarHBondContact O-CB 3.36Å; Q367-E371 WeakPolarHBondContact O-CG 3.42Å; Q367-E371 PolarHBondContact O-N 3.3Å; K368-E371 PolarHBondContact O-N 3.47Å; Q369-E371 VanDerWaalsContact C-N 3.32Å; Q369-E371 PolarHBondContact O-N 3.04Å
372	D	75.8	Confident	81.5	Confident	112 Å²	112	77.3 Å²	77.3	60%	0.599	38%	0.376	S	S	*	.	H	α-helix	trans	-74.7	-22.3	177.6	-163.8	38.7	0	0	0	113.9	K368 Q369 H374	K368-D372 WeakPolarHBondContact O-CB 3.36Å; K368-D372 PolarHBondContact O-N 2.84Å; Q369-D372 PolarHBondContact O-N 2.74Å; D372-H374 PolarHBondContact O-N 3.04Å; D372-H374 PolarHBondContact O-ND1 2.94Å; D372-H374 IonicContact OD1-CE1 3.87Å
373	F	74.6	Confident	82.4	Confident	43 Å²	43	81 Å²	81	19%	0.189	39%	0.386	C	S	.	.			trans	-53.2	107.4	179.9	-99.6	-80.7	0	0	0	113.6	K342 Y345 Q369 S375 P755 V757	K342-F373 WeakPolarHBondContact CE-O 2.93Å; Y345-F373 HydrophobicContact CD2-CE1 4.3Å; Y345-F373 HydrophobicContact CD2-CE2 4.19Å; Y345-F373 HydrophobicContact CD2-CZ 4.04Å; Y345-F373 HydrophobicContact CE2-CE1 4.41Å; Y345-F373 HydrophobicContact CE2-CZ 4.06Å; Q369-F373 VanDerWaalsContact O-CD2 3.24Å; Q369-F373 WeakPolarHBondContact O-CD2 3.34Å; Q369-F373 PolarHBondContact O-N 3.08Å; F373-S375 PolarHBondContact O-N 3.34Å; F373-P755 HydrophobicContact CE1-CB 3.76Å; F373-P755 HydrophobicContact CE1-CG 3.87Å; F373-P755 HydrophobicContact CZ-CB 4.04Å; F373-P755 HydrophobicContact CZ-CG 4.43Å; F373-V757 HydrophobicContact CE2-CG2 4.03Å
374	H	71.1	Confident	83.4	Confident	140 Å²	140	77.9 Å²	77.9	65%	0.648	36%	0.364	S	S	*	.			trans	-70.6	126.5	179.8	-69.3	12	0	0	0	111.5	D372 H376	D372-H374 PolarHBondContact O-N 3.04Å; D372-H374 PolarHBondContact O-ND1 2.94Å; D372-H374 IonicContact OD1-CE1 3.87Å; H374-H376 PolarHBondContact O-CE1 3.35Å; H374-H376 PolarHBondContact O-N 2.88Å; H374-H376 PolarHBondContact O-ND1 3.19Å; H374-H376 VanDerWaalsContact O-ND1 3.07Å
375	S	75.4	Confident	84.3	Confident	42 Å²	42	74 Å²	74	29%	0.294	34%	0.336	S	S	.	.			trans	-77.4	113.7	175.7	59.6	0	0	0	0	111.2	F373	F373-S375 PolarHBondContact O-N 3.34Å
376	H	83.8	Confident	85.1	Confident	83 Å²	83	74.5 Å²	74.5	38%	0.384	33%	0.333	S	S	.	.			trans	-77.9	159.4	-178.8	-67.1	80.4	0	0	0	112.2	H374 E651 K652 G655	H374-H376 PolarHBondContact O-CE1 3.35Å; H374-H376 PolarHBondContact O-N 2.88Å; H374-H376 PolarHBondContact O-ND1 3.19Å; H374-H376 VanDerWaalsContact O-ND1 3.07Å; H376-E651 WeakPolarHBondContact CB-O 3.18Å; H376-K652 PolarHBondContact N-O 3.09Å; H376-G655 VanDerWaalsContact CG-CA 3.47Å
377	R	86.4	Confident	86	Confident	170 Å²	170	75.6 Å²	75.6	64%	0.642	34%	0.34	S	S	*	.			trans	-89.1	132.3	172.2	-71.8	-179.9	172.9	-157.7	-0.2	109.7	Y379	R377-Y379 VanDerWaalsContact C-N 3.27Å; R377-Y379 HydrophobicContact CB-CD1 4.45Å; R377-Y379 HydrophobicContact CB-CD2 4.13Å; R377-Y379 HydrophobicContact CB-CE1 4.11Å; R377-Y379 HydrophobicContact CB-CE2 3.79Å; R377-Y379 HydrophobicContact CB-CG 4.45Å; R377-Y379 WeakPolarHBondContact CD-OH 3.37Å; R377-Y379 PolarHBondContact NH1-OH 2.9Å; R377-Y379 PolarHBondContact O-N 3.43Å
378	P	91.4	Very high	86.9	Confident	10 Å²	10	71.1 Å²	71.1	7%	0.065	32%	0.319	C	S	.	.			trans	-83	67.1	-173.6	33.8	-36.2	0	0	0	112.2	Y382 R648 E651	P378-Y382 HydrophobicContact CG-CD2 4.48Å; P378-Y382 HydrophobicContact CG-CE2 3.89Å; P378-Y382 VanDerWaalsContact O-CD2 3.23Å; P378-Y382 WeakPolarHBondContact O-CD2 3.13Å; P378-Y382 PolarHBondContact O-N 3.34Å; P378-R648 HydrophobicContact CB-CG 3.75Å; P378-R648 HydrophobicContact CG-CG 3.75Å; P378-E651 VanDerWaalsContact C-OE1 3.23Å; P378-E651 VanDerWaalsContact C-OE2 3.24Å; P378-E651 WeakPolarHBondContact CA-OE1 3.43Å; P378-E651 WeakPolarHBondContact CA-OE2 3.2Å; P378-E651 HydrophobicContact CB-CB 4.24Å; P378-E651 WeakPolarHBondContact CB-OE2 3.33Å
379	Y	93.1	Very high	87.9	Confident	132 Å²	132	66.5 Å²	66.5	52%	0.518	30%	0.304	S	S	.	.	H	α-helix	trans	-71.1	-42.1	-177.9	-66.4	-52	0	0	0	112.5	R377 T381 Y382 W383 E651	R377-Y379 VanDerWaalsContact C-N 3.27Å; R377-Y379 HydrophobicContact CB-CD1 4.45Å; R377-Y379 HydrophobicContact CB-CD2 4.13Å; R377-Y379 HydrophobicContact CB-CE1 4.11Å; R377-Y379 HydrophobicContact CB-CE2 3.79Å; R377-Y379 HydrophobicContact CB-CG 4.45Å; R377-Y379 WeakPolarHBondContact CD-OH 3.37Å; R377-Y379 PolarHBondContact NH1-OH 2.9Å; R377-Y379 PolarHBondContact O-N 3.43Å; Y379-T381 VanDerWaalsContact C-N 3.35Å; Y379-T381 PolarHBondContact O-N 3.31Å; Y379-Y382 PolarHBondContact O-N 3.1Å; Y379-W383 WeakPolarHBondContact O-CB 3.35Å; Y379-W383 PolarHBondContact O-N 3.4Å; Y379-E651 PolarHBondContact N-OE1 3Å
380	F	96.1	Very high	88.9	Confident	13 Å²	13	66.4 Å²	66.4	6%	0.057	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-42.1	178.5	173.5	-107.3	0	0	0	110.8	Y382 W383 I384 L647 E651 W656 S660 Y663	F380-Y382 PolarHBondContact O-N 2.88Å; F380-W383 AromaticContact CD2-CE3 3.9Å; F380-W383 HydrophobicContact CD2-CE3 3.9Å; F380-W383 HydrophobicContact CD2-CZ3 4.2Å; F380-W383 AromaticContact CE2-CE3 3.96Å; F380-W383 HydrophobicContact CE2-CE3 3.96Å; F380-W383 AromaticContact CE2-CZ3 3.83Å; F380-W383 HydrophobicContact CE2-CZ3 3.83Å; F380-W383 PolarHBondContact O-N 2.89Å; F380-I384 HydrophobicContact CE1-CG2 4.38Å; F380-I384 HydrophobicContact CE2-CB 4.4Å; F380-I384 HydrophobicContact CZ-CB 4.34Å; F380-I384 HydrophobicContact CZ-CG1 4.35Å; F380-I384 WeakPolarHBondContact O-CB 3.25Å; F380-I384 VanDerWaalsContact O-CG2 3.25Å; F380-I384 WeakPolarHBondContact O-CG2 3.42Å; F380-I384 PolarHBondContact O-N 3.23Å; F380-L647 HydrophobicContact CD1-CD1 4.11Å; F380-L647 HydrophobicContact CD1-CD2 4.25Å; F380-L647 HydrophobicContact CE1-CD1 4.15Å; F380-L647 HydrophobicContact CE1-CD2 4.03Å; F380-E651 WeakPolarHBondContact CB-OE1 3.28Å; F380-E651 PolarHBondContact N-OE1 2.98Å; F380-E651 PolarHBondContact N-OE2 3.19Å; F380-W656 HydrophobicContact CB-CB 4.2Å; F380-S660 WeakPolarHBondContact CD2-OG 3.3Å; F380-S660 WeakPolarHBondContact CG-OG 3.41Å; F380-Y663 HydrophobicContact CE1-CD1 4.06Å; F380-Y663 HydrophobicContact CE1-CD2 4.35Å; F380-Y663 AromaticContact CE1-CG 3.9Å; F380-Y663 HydrophobicContact CE1-CG 3.9Å; F380-Y663 AromaticContact CZ-CD1 3.61Å; F380-Y663 HydrophobicContact CZ-CD1 3.61Å; F380-Y663 HydrophobicContact CZ-CE1 4.07Å; F380-Y663 AromaticContact CZ-CG 3.94Å; F380-Y663 HydrophobicContact CZ-CG 3.94Å
381	T	95.4	Very high	89.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-45.9	176.8	-50.8	0	0	0	0	112	Y379 I384 T385 Q643 L647 R648 E651	Y379-T381 VanDerWaalsContact C-N 3.35Å; Y379-T381 PolarHBondContact O-N 3.31Å; T381-I384 WeakPolarHBondContact O-CG2 3.22Å; T381-T385 HydrophobicContact CG2-CG2 4.36Å; T381-T385 WeakPolarHBondContact O-CB 3.36Å; T381-T385 VanDerWaalsContact O-CG2 3.31Å; T381-T385 WeakPolarHBondContact O-CG2 3.49Å; T381-T385 PolarHBondContact O-N 3.01Å; T381-T385 VanDerWaalsContact O-N 3.08Å; T381-T385 PolarHBondContact O-OG1 2.96Å; T381-Q643 HydrophobicContact CG2-CB 4.46Å; T381-Q643 WeakPolarHBondContact CG2-O 3.39Å; T381-L647 HydrophobicContact CG2-CB 4.48Å; T381-L647 HydrophobicContact CG2-CD2 4.31Å; T381-L647 HydrophobicContact CG2-CG 4.16Å; T381-R648 HydrophobicContact CG2-CB 3.92Å; T381-R648 HydrophobicContact CG2-CG 4.44Å; T381-R648 WeakPolarHBondContact OG1-CA 3.4Å; T381-R648 PolarHBondContact OG1-N 2.87Å; T381-E651 VanDerWaalsContact CB-OE2 3.32Å; T381-E651 WeakPolarHBondContact CB-OE2 3.03Å; T381-E651 PolarHBondContact N-OE2 3.2Å; T381-E651 PolarHBondContact OG1-OE2 2.85Å
382	Y	95.6	Very high	91	Very high	79 Å²	79	61.9 Å²	61.9	31%	0.31	28%	0.284	S	S	.	.	H	α-helix	trans	-70.2	-33.2	179.7	-64.4	-31.4	0	0	0	112.2	A337 P378 Y379 F380 T385 F386 M644	A337-Y382 PolarHBondContact O-OH 3.02Å; P378-Y382 HydrophobicContact CG-CD2 4.48Å; P378-Y382 HydrophobicContact CG-CE2 3.89Å; P378-Y382 VanDerWaalsContact O-CD2 3.23Å; P378-Y382 WeakPolarHBondContact O-CD2 3.13Å; P378-Y382 PolarHBondContact O-N 3.34Å; Y379-Y382 PolarHBondContact O-N 3.1Å; F380-Y382 PolarHBondContact O-N 2.88Å; Y382-T385 PolarHBondContact O-OG1 3.49Å; Y382-F386 VanDerWaalsContact O-CB 3.22Å; Y382-F386 WeakPolarHBondContact O-CB 3.29Å; Y382-F386 PolarHBondContact O-N 2.87Å; Y382-M644 HydrophobicContact CD1-CE 4.07Å; Y382-M644 HydrophobicContact CD1-SD 4.27Å; Y382-M644 HydrophobicContact CE1-CE 4.31Å; Y382-M644 HydrophobicContact CE1-SD 4.06Å
383	W	97.1	Very high	92	Very high	130 Å²	130	60.8 Å²	60.8	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-67.9	-52.6	173	175.3	79.8	0	0	0	112.1	Y379 F380 T385 F386 V387 F628	Y379-W383 WeakPolarHBondContact O-CB 3.35Å; Y379-W383 PolarHBondContact O-N 3.4Å; F380-W383 AromaticContact CD2-CE3 3.9Å; F380-W383 HydrophobicContact CD2-CE3 3.9Å; F380-W383 HydrophobicContact CD2-CZ3 4.2Å; F380-W383 AromaticContact CE2-CE3 3.96Å; F380-W383 HydrophobicContact CE2-CE3 3.96Å; F380-W383 AromaticContact CE2-CZ3 3.83Å; F380-W383 HydrophobicContact CE2-CZ3 3.83Å; F380-W383 PolarHBondContact O-N 2.89Å; W383-T385 PolarHBondContact O-N 3.37Å; W383-F386 WeakPolarHBondContact O-CB 3.48Å; W383-F386 PolarHBondContact O-N 3.3Å; W383-V387 HydrophobicContact CD2-CG2 4.28Å; W383-V387 HydrophobicContact CZ2-CG2 4.16Å; W383-V387 WeakPolarHBondContact O-CG2 3.38Å; W383-V387 PolarHBondContact O-N 2.76Å; W383-F628 AromaticContact CH2-CE1 3.8Å; W383-F628 HydrophobicContact CH2-CE1 3.8Å; W383-F628 HydrophobicContact CH2-CZ 4.36Å; W383-F628 HydrophobicContact CZ3-CE1 4.1Å
384	I	97	Very high	93	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-39.4	-175	-164.6	60.3	0	0	0	111.9	F380 T381 F386 V387 H388 F628 L647 Y663	F380-I384 HydrophobicContact CE1-CG2 4.38Å; F380-I384 HydrophobicContact CE2-CB 4.4Å; F380-I384 HydrophobicContact CZ-CB 4.34Å; F380-I384 HydrophobicContact CZ-CG1 4.35Å; F380-I384 WeakPolarHBondContact O-CB 3.25Å; F380-I384 VanDerWaalsContact O-CG2 3.25Å; F380-I384 WeakPolarHBondContact O-CG2 3.42Å; F380-I384 PolarHBondContact O-N 3.23Å; T381-I384 WeakPolarHBondContact O-CG2 3.22Å; I384-F386 PolarHBondContact O-N 3.34Å; I384-V387 PolarHBondContact O-N 3.09Å; I384-H388 VanDerWaalsContact CG1-CE1 3.44Å; I384-H388 WeakPolarHBondContact CG1-CE1 2.72Å; I384-H388 PolarHBondContact O-N 3.4Å; I384-H388 PolarHBondContact O-ND1 3.27Å; I384-F628 HydrophobicContact CD1-CD1 3.59Å; I384-F628 HydrophobicContact CD1-CE1 3.32Å; I384-F628 HydrophobicContact CD1-CZ 4.28Å; I384-L647 HydrophobicContact CG2-CD2 3.77Å; I384-Y663 HydrophobicContact CD1-CE1 4.31Å; I384-Y663 HydrophobicContact CG1-CE1 4.13Å
385	T	96.6	Very high	94.1	Very high	9 Å²	9	57.3 Å²	57.3	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-38.6	174.4	50.5	0	0	0	0	112.4	T381 Y382 W383 V389 V640 Q643 M644	T381-T385 HydrophobicContact CG2-CG2 4.36Å; T381-T385 WeakPolarHBondContact O-CB 3.36Å; T381-T385 VanDerWaalsContact O-CG2 3.31Å; T381-T385 WeakPolarHBondContact O-CG2 3.49Å; T381-T385 PolarHBondContact O-N 3.01Å; T381-T385 VanDerWaalsContact O-N 3.08Å; T381-T385 PolarHBondContact O-OG1 2.96Å; Y382-T385 PolarHBondContact O-OG1 3.49Å; W383-T385 PolarHBondContact O-N 3.37Å; T385-V389 VanDerWaalsContact O-CG2 3.29Å; T385-V389 WeakPolarHBondContact O-CG2 3.17Å; T385-V389 PolarHBondContact O-N 2.87Å; T385-V389 VanDerWaalsContact O-N 3.11Å; T385-V640 HydrophobicContact CG2-CG1 4.43Å; T385-V640 HydrophobicContact CG2-CG2 4.44Å; T385-Q643 HydrophobicContact CG2-CB 3.52Å; T385-Q643 HydrophobicContact CG2-CG 4.37Å; T385-Q643 VanDerWaalsContact CG2-OE1 3.23Å; T385-M644 HydrophobicContact CG2-CE 4.11Å; T385-M644 HydrophobicContact CG2-CG 4.5Å
386	F	97.4	Very high	95.1	Very high	132 Å²	132	55.7 Å²	55.7	58%	0.579	26%	0.255	S	S	*	.	H	α-helix	trans	-64.8	-45.1	174.8	174.7	-102.3	0	0	0	111.9	Y382 W383 I384 V389 I390	Y382-F386 VanDerWaalsContact O-CB 3.22Å; Y382-F386 WeakPolarHBondContact O-CB 3.29Å; Y382-F386 PolarHBondContact O-N 2.87Å; W383-F386 WeakPolarHBondContact O-CB 3.48Å; W383-F386 PolarHBondContact O-N 3.3Å; I384-F386 PolarHBondContact O-N 3.34Å; F386-V389 PolarHBondContact O-N 3.08Å; F386-I390 HydrophobicContact CD1-CD1 4.14Å; F386-I390 HydrophobicContact CD2-CD1 4.17Å; F386-I390 HydrophobicContact CE1-CD1 3.59Å; F386-I390 HydrophobicContact CE2-CD1 3.62Å; F386-I390 HydrophobicContact CG-CD1 4.42Å; F386-I390 HydrophobicContact CZ-CD1 3.3Å; F386-I390 PolarHBondContact O-N 3.19Å
387	V	97.5	Very high	95.6	Very high	28 Å²	28	56.9 Å²	56.9	17%	0.17	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-47.4	176.6	171	0	0	0	0	111.2	W383 I384 V389 I390 I391 F628	W383-V387 HydrophobicContact CD2-CG2 4.28Å; W383-V387 HydrophobicContact CZ2-CG2 4.16Å; W383-V387 WeakPolarHBondContact O-CG2 3.38Å; W383-V387 PolarHBondContact O-N 2.76Å; I384-V387 PolarHBondContact O-N 3.09Å; V387-V389 PolarHBondContact O-N 3.47Å; V387-I390 PolarHBondContact O-N 3.38Å; V387-I391 HydrophobicContact CG1-CD1 3.55Å; V387-I391 HydrophobicContact CG1-CG1 4.31Å; V387-I391 WeakPolarHBondContact O-CB 3.32Å; V387-I391 WeakPolarHBondContact O-CG1 3.42Å; V387-I391 PolarHBondContact O-N 3.33Å; V387-F628 HydrophobicContact CG1-CD1 3.76Å; V387-F628 HydrophobicContact CG1-CE1 4.49Å
388	H	97.6	Very high	96	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-45.7	177	-65.9	157.1	0	0	0	113.3	I384 T392 L627 F628 H630 Q643 Y663	I384-H388 VanDerWaalsContact CG1-CE1 3.44Å; I384-H388 WeakPolarHBondContact CG1-CE1 2.72Å; I384-H388 PolarHBondContact O-N 3.4Å; I384-H388 PolarHBondContact O-ND1 3.27Å; H388-T392 WeakPolarHBondContact O-CB 3.27Å; H388-T392 PolarHBondContact O-N 2.86Å; H388-T392 PolarHBondContact O-OG1 2.96Å; H388-L627 PolarHBondContact NE2-O 3.46Å; H388-F628 PolarHBondContact CD2-O 3.04Å; H388-H630 AromaticContact CD2-CE1 3.55Å; H388-H630 AromaticContact CE1-CE1 3.95Å; H388-H630 AromaticContact CG-CE1 3.43Å; H388-H630 VanDerWaalsContact CG-CE1 3.43Å; H388-H630 AromaticContact ND1-CE1 3.72Å; H388-H630 AromaticContact NE2-CE1 3.89Å; H388-Q643 PolarHBondContact CE1-NE2 3.28Å; H388-Q643 PolarHBondContact CE1-OE1 3.11Å; H388-Q643 PolarHBondContact ND1-NE2 3.28Å; H388-Q643 PolarHBondContact ND1-OE1 3.48Å; H388-Y663 PolarHBondContact CE1-OH 2.85Å
389	V	97.6	Very high	96	Very high	60 Å²	60	57 Å²	57	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-43.5	-179.8	169.1	0	0	0	0	110.4	T385 F386 V387 L393 V640	T385-V389 VanDerWaalsContact O-CG2 3.29Å; T385-V389 WeakPolarHBondContact O-CG2 3.17Å; T385-V389 PolarHBondContact O-N 2.87Å; T385-V389 VanDerWaalsContact O-N 3.11Å; F386-V389 PolarHBondContact O-N 3.08Å; V387-V389 PolarHBondContact O-N 3.47Å; V389-L393 HydrophobicContact CG1-CD1 3.8Å; V389-L393 HydrophobicContact CG1-CG 4.5Å; V389-L393 WeakPolarHBondContact O-CB 3.43Å; V389-L393 WeakPolarHBondContact O-CD1 3.41Å; V389-L393 WeakPolarHBondContact O-CG 3.41Å; V389-L393 PolarHBondContact O-N 2.69Å; V389-V640 HydrophobicContact CG2-CG2 3.92Å
390	I	97.8	Very high	95.9	Very high	67 Å²	67	51.8 Å²	51.8	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-65.2	-49.9	177.1	-74.2	-179	0	0	0	111.6	F386 V387 T392 L393 L394	F386-I390 HydrophobicContact CD1-CD1 4.14Å; F386-I390 HydrophobicContact CD2-CD1 4.17Å; F386-I390 HydrophobicContact CE1-CD1 3.59Å; F386-I390 HydrophobicContact CE2-CD1 3.62Å; F386-I390 HydrophobicContact CG-CD1 4.42Å; F386-I390 HydrophobicContact CZ-CD1 3.3Å; F386-I390 PolarHBondContact O-N 3.19Å; V387-I390 PolarHBondContact O-N 3.38Å; I390-T392 VanDerWaalsContact C-N 3.35Å; I390-T392 PolarHBondContact O-N 2.84Å; I390-L393 PolarHBondContact O-N 3.26Å; I390-L394 HydrophobicContact CG2-CD1 3.67Å; I390-L394 HydrophobicContact CG2-CG 4.21Å; I390-L394 WeakPolarHBondContact O-CB 3.42Å; I390-L394 VanDerWaalsContact O-CG 3.31Å; I390-L394 WeakPolarHBondContact O-CG 3.43Å; I390-L394 PolarHBondContact O-N 2.81Å
391	I	96.8	Very high	95.8	Very high	46 Å²	46	56.8 Å²	56.8	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-42.8	-178.2	-71.3	175	0	0	0	111.1	V387 L394 A395 F628 L629	V387-I391 HydrophobicContact CG1-CD1 3.55Å; V387-I391 HydrophobicContact CG1-CG1 4.31Å; V387-I391 WeakPolarHBondContact O-CB 3.32Å; V387-I391 WeakPolarHBondContact O-CG1 3.42Å; V387-I391 PolarHBondContact O-N 3.33Å; I391-L394 PolarHBondContact O-N 3.19Å; I391-A395 WeakPolarHBondContact O-CB 3.36Å; I391-A395 PolarHBondContact O-N 2.89Å; I391-F628 HydrophobicContact CD1-CB 3.97Å; I391-L629 HydrophobicContact CG2-CD2 3.84Å
392	T	96.4	Very high	95.4	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-43.2	177.7	-48.1	0	0	0	0	111.4	H388 I390 C396 H630 L633 C636	H388-T392 WeakPolarHBondContact O-CB 3.27Å; H388-T392 PolarHBondContact O-N 2.86Å; H388-T392 PolarHBondContact O-OG1 2.96Å; I390-T392 VanDerWaalsContact C-N 3.35Å; I390-T392 PolarHBondContact O-N 2.84Å; T392-C396 WeakPolarHBondContact O-CB 3.34Å; T392-C396 PolarHBondContact O-N 3.42Å; T392-C396 PolarHBondContact O-SG 3.38Å; T392-H630 HydrophobicContact CG2-CB 4.34Å; T392-L633 HydrophobicContact CG2-CD2 4.15Å; T392-C636 HydrophobicContact CG2-CB 3.83Å; T392-C636 PolarHBondContact OG1-SG 3.4Å; T392-C636 VanDerWaalsContact OG1-SG 3.36Å
393	L	96.5	Very high	95	Very high	88 Å²	88	54.9 Å²	54.9	46%	0.461	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-42.9	177.3	-73.8	171.2	0	0	0	111.9	V389 I390 C396 C397 L633	V389-L393 HydrophobicContact CG1-CD1 3.8Å; V389-L393 HydrophobicContact CG1-CG 4.5Å; V389-L393 WeakPolarHBondContact O-CB 3.43Å; V389-L393 WeakPolarHBondContact O-CD1 3.41Å; V389-L393 WeakPolarHBondContact O-CG 3.41Å; V389-L393 PolarHBondContact O-N 2.69Å; I390-L393 PolarHBondContact O-N 3.26Å; L393-C396 PolarHBondContact O-N 3.34Å; L393-C397 WeakPolarHBondContact O-CB 3.32Å; L393-C397 PolarHBondContact O-N 2.93Å; L393-C397 PolarHBondContact O-SG 2.95Å; L393-L633 HydrophobicContact CD2-CD2 4.25Å
394	L	96.1	Very high	94.6	Very high	104 Å²	104	53 Å²	53	55%	0.545	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-49.8	176.6	-72.6	173.5	0	0	0	111.1	I390 I391 C396 C397 T398	I390-L394 HydrophobicContact CG2-CD1 3.67Å; I390-L394 HydrophobicContact CG2-CG 4.21Å; I390-L394 WeakPolarHBondContact O-CB 3.42Å; I390-L394 VanDerWaalsContact O-CG 3.31Å; I390-L394 WeakPolarHBondContact O-CG 3.43Å; I390-L394 PolarHBondContact O-N 2.81Å; I391-L394 PolarHBondContact O-N 3.19Å; L394-C396 PolarHBondContact O-N 3.45Å; L394-C397 CarbonylContact O-C 3.57Å; L394-C397 WeakPolarHBondContact O-CA 3.18Å; L394-C397 PolarHBondContact O-N 2.95Å; L394-T398 PolarHBondContact O-N 3.16Å; L394-T398 PolarHBondContact O-OG1 2.98Å
395	A	95	Very high	93.9	Very high	7 Å²	7	53.6 Å²	53.6	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-57.1	-46	178.2	0	0	0	0	0	112.4	I391 C397 T398 Y399 P437 L445	I391-A395 WeakPolarHBondContact O-CB 3.36Å; I391-A395 PolarHBondContact O-N 2.89Å; A395-C397 VanDerWaalsContact C-N 3.27Å; A395-C397 PolarHBondContact O-N 3.49Å; A395-T398 PolarHBondContact O-N 3.26Å; A395-Y399 PolarHBondContact O-N 3.2Å; A395-P437 HydrophobicContact CB-CG 4.28Å; A395-L445 HydrophobicContact CB-CD1 3.62Å
396	C	95	Very high	92.9	Very high	8 Å²	8	60.1 Å²	60.1	5%	0.054	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-25.2	175.8	-60.6	0	0	0	0	113	T392 L393 L394 G400 F401	T392-C396 WeakPolarHBondContact O-CB 3.34Å; T392-C396 PolarHBondContact O-N 3.42Å; T392-C396 PolarHBondContact O-SG 3.38Å; L393-C396 PolarHBondContact O-N 3.34Å; L394-C396 PolarHBondContact O-N 3.45Å; C396-G400 WeakPolarHBondContact O-CA 3.46Å; C396-G400 PolarHBondContact O-N 3.11Å; C396-F401 HydrophobicContact CB-CE1 3.83Å; C396-F401 HydrophobicContact CB-CZ 3.77Å
397	C	95.1	Very high	91.9	Very high	107 Å²	107	57 Å²	57	72%	0.723	32%	0.32	S	S	*	.	H	α-helix	trans	-84.6	-26.8	177.5	-70.4	0	0	0	0	113.6	L393 L394 A395	L393-C397 WeakPolarHBondContact O-CB 3.32Å; L393-C397 PolarHBondContact O-N 2.93Å; L393-C397 PolarHBondContact O-SG 2.95Å; L394-C397 CarbonylContact O-C 3.57Å; L394-C397 WeakPolarHBondContact O-CA 3.18Å; L394-C397 PolarHBondContact O-N 2.95Å; A395-C397 VanDerWaalsContact C-N 3.27Å; A395-C397 PolarHBondContact O-N 3.49Å
398	T	94.4	Very high	90.9	Very high	100 Å²	100	59.9 Å²	59.9	61%	0.613	33%	0.332	S	S	*	.	H	α-helix	trans	-94.3	-39.8	-179.7	57.3	0	0	0	0	113.4	L394 A395	L394-T398 PolarHBondContact O-N 3.16Å; L394-T398 PolarHBondContact O-OG1 2.98Å; A395-T398 PolarHBondContact O-N 3.26Å
399	Y	91.1	Very high	90	Very high	82 Å²	82	67 Å²	67	32%	0.322	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-13.1	-179.7	-60.9	-89.2	0	0	0	113.1	A395 D441 H444 L445	A395-Y399 PolarHBondContact O-N 3.2Å; Y399-D441 HydrophobicContact CD1-CB 3.75Å; Y399-D441 VanDerWaalsContact CD1-OD1 3.26Å; Y399-D441 WeakPolarHBondContact CD1-OD1 3.17Å; Y399-D441 HydrophobicContact CE1-CB 4.44Å; Y399-D441 HydrophobicContact CG-CB 3.89Å; Y399-H444 AromaticContact CE1-ND1 3.91Å; Y399-H444 AromaticContact CZ-ND1 3.79Å; Y399-H444 PolarHBondContact OH-ND1 3.26Å; Y399-L445 HydrophobicContact CD2-CD1 3.78Å; Y399-L445 HydrophobicContact CD2-CD2 4.49Å; Y399-L445 HydrophobicContact CD2-CG 4.15Å; Y399-L445 HydrophobicContact CE2-CD1 3.75Å; Y399-L445 HydrophobicContact CE2-CD2 3.71Å; Y399-L445 HydrophobicContact CE2-CG 3.59Å
400	G	92.7	Very high	89.3	Confident	24 Å²	24	67.2 Å²	67.2	25%	0.247	36%	0.363	C	S	.	.			trans	81	-143.9	178.7	0	0	0	0	0	113.5	C396	C396-G400 WeakPolarHBondContact O-CA 3.46Å; C396-G400 PolarHBondContact O-N 3.11Å
401	F	92.5	Very high	88.6	Confident	117 Å²	117	69 Å²	69	51%	0.513	37%	0.368	S	S	.	.			trans	-132.3	126.1	-175.5	-62.7	-80.7	0	0	0	110.9	C396 I435 G436 L633	C396-F401 HydrophobicContact CB-CE1 3.83Å; C396-F401 HydrophobicContact CB-CZ 3.77Å; F401-I435 HydrophobicContact CD1-CG2 3.96Å; F401-I435 HydrophobicContact CE1-CG2 4.08Å; F401-G436 CarbonylContact C-O 3.56Å; F401-G436 WeakPolarHBondContact CA-O 3.29Å; F401-L633 HydrophobicContact CE1-CD1 3.76Å; F401-L633 HydrophobicContact CE1-CG 4.26Å; F401-L633 HydrophobicContact CZ-CD1 4Å
402	A	88.6	Confident	88.2	Confident	9 Å²	9	70.9 Å²	70.9	7%	0.074	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-69.3	160.8	167.5	0	0	0	0	0	111.1	V404 N432 G436	A402-V404 PolarHBondContact O-N 2.95Å; A402-N432 HydrophobicContact CB-CB 4Å; A402-G436 PolarHBondContact N-O 3.08Å
403	P	87.3	Confident	87.8	Confident	31 Å²	31	75 Å²	75	20%	0.201	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-57.7	132.3	177	-22.6	33.8	0	0	0	111.5	Q429 E431 N432	P403-Q429 VanDerWaalsContact CD-OE1 3.28Å; P403-E431 HydrophobicContact CB-CG 4.34Å; P403-E431 CarbonylContact O-C 3.59Å; P403-E431 VanDerWaalsContact O-CA 3.24Å; P403-E431 WeakPolarHBondContact O-CA 3.29Å; P403-E431 WeakPolarHBondContact O-CB 3.43Å; P403-N432 PolarHBondContact O-N 3.37Å
404	V	87.5	Confident	87.5	Confident	89 Å²	89	76.7 Å²	76.7	54%	0.539	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-86.7	117.3	-176.1	-178.3	0	0	0	0	110.3	A402 I435	A402-V404 PolarHBondContact O-N 2.95Å; V404-I435 HydrophobicContact CG1-CG1 4.12Å; V404-I435 HydrophobicContact CG2-CB 4.49Å; V404-I435 HydrophobicContact CG2-CG1 4.08Å; V404-I435 HydrophobicContact CG2-CG2 4.35Å
405	G	81.6	Confident	87	Confident	14 Å²	14	72 Å²	72	14%	0.144	39%	0.386	C	S	.	.	S	Bend	trans	177	-171.8	-178.6	0	0	0	0	0	111.5	E431 F433	G405-E431 WeakPolarHBondContact CA-OE2 3.32Å; G405-F433 WeakPolarHBondContact O-CB 3.34Å; G405-F433 PolarHBondContact O-N 3.34Å; G405-F433 VanDerWaalsContact O-N 3.16Å
406	F	76.2	Confident	86.5	Confident	147 Å²	147	73.6 Å²	73.6	65%	0.645	39%	0.393	S	S	*	.	S	Bend	trans	-120.7	3.7	180	-65.2	-85.3	0	0	0	112.6	E431 F433	F406-E431 PolarHBondContact N-OE2 3.13Å; F406-F433 HydrophobicContact CD1-CB 3.9Å; F406-F433 AromaticContact CD1-CD1 3.82Å; F406-F433 HydrophobicContact CD1-CD1 3.82Å; F406-F433 HydrophobicContact CD1-CE1 4.46Å; F406-F433 AromaticContact CD1-CG 3.88Å; F406-F433 HydrophobicContact CD1-CG 3.88Å; F406-F433 HydrophobicContact CD2-CB 4.49Å; F406-F433 HydrophobicContact CE1-CB 3.53Å; F406-F433 AromaticContact CE1-CD1 3.58Å; F406-F433 HydrophobicContact CE1-CD1 3.58Å; F406-F433 AromaticContact CE1-CD2 3.62Å; F406-F433 HydrophobicContact CE1-CD2 3.62Å; F406-F433 HydrophobicContact CE1-CE1 4.1Å; F406-F433 HydrophobicContact CE1-CE2 4.14Å; F406-F433 AromaticContact CE1-CG 3.29Å; F406-F433 HydrophobicContact CE1-CG 3.29Å; F406-F433 HydrophobicContact CE1-CZ 4.35Å; F406-F433 HydrophobicContact CE2-CB 4.16Å; F406-F433 HydrophobicContact CG-CB 4.37Å; F406-F433 HydrophobicContact CZ-CB 3.67Å; F406-F433 HydrophobicContact CZ-CD1 4.5Å; F406-F433 AromaticContact CZ-CD2 3.88Å; F406-F433 HydrophobicContact CZ-CD2 3.88Å; F406-F433 AromaticContact CZ-CG 3.79Å; F406-F433 HydrophobicContact CZ-CG 3.79Å
407	S	76.2	Confident	85.8	Confident	65 Å²	65	75.3 Å²	75.3	46%	0.455	40%	0.4	S	S	.	.	S	Bend	trans	-107.7	-179.1	-173.6	74.9	0	0	0	0	111.7	E431	S407-E431 WeakPolarHBondContact CA-OE2 3.43Å; S407-E431 WeakPolarHBondContact CB-OE2 3.27Å; S407-E431 PolarHBondContact N-OE2 2.89Å; S407-E431 VanDerWaalsContact O-CB 3.32Å; S407-E431 WeakPolarHBondContact O-CB 3.35Å; S407-E431 VanDerWaalsContact O-CG 3.27Å; S407-E431 WeakPolarHBondContact O-CG 3.47Å; S407-E431 PolarHBondContact O-N 3.09Å; S407-E431 VanDerWaalsContact OG-CD 3.3Å; S407-E431 PolarHBondContact OG-OE2 2.62Å
408	Q	77.2	Confident	84.9	Confident	90 Å²	90	71.2 Å²	71.2	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.5	168.7	-64.1	178.2	20.9	0	0	108.2	S410 I428 E813	Q408-S410 PolarHBondContact O-N 3.14Å; Q408-I428 HydrophobicContact CB-CG2 3.89Å; Q408-I428 HydrophobicContact CG-CG2 4.41Å; Q408-E813 PolarHBondContact NE2-OE2 3.06Å
409	R	78.9	Confident	83.9	Confident	149 Å²	149	70.7 Å²	70.7	56%	0.562	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	99.4	177.6	-175.2	171.6	179.1	154.9	-1.2	109.8	Q429 E431	R409-Q429 PolarHBondContact N-O 3.45Å; R409-Q429 PolarHBondContact O-N 2.9Å; R409-E431 HydrophobicContact CB-CG 3.94Å
410	S	81.9	Confident	83.1	Confident	64 Å²	64	68.1 Å²	68.1	45%	0.448	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.6	171.2	58.1	0	0	0	0	112.2	Q408 F427	Q408-S410 PolarHBondContact O-N 3.14Å; S410-F427 CarbonylContact C-O 3.51Å; S410-F427 VanDerWaalsContact CA-O 3.23Å; S410-F427 WeakPolarHBondContact CA-O 3.41Å
411	K	84	Confident	82.4	Confident	105 Å²	105	72 Å²	72	46%	0.457	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.5	165.7	-177.4	-169.1	171.6	-153.5	0	107.7	E413 K426 F427 F584	K411-E413 WeakPolarHBondContact CE-OE2 3.22Å; K411-E413 IonicContact NZ-OE2 2.65Å; K411-E413 PolarHBondContact NZ-OE2 2.9Å; K411-K426 CarbonylContact O-C 3.57Å; K411-K426 WeakPolarHBondContact O-CA 3.48Å; K411-F427 PolarHBondContact N-O 3.16Å; K411-F427 PolarHBondContact O-N 3.3Å; K411-F584 HydrophobicContact CD-CE2 3.85Å; K411-F584 HydrophobicContact CG-CE2 4.13Å
412	T	88.4	Confident	82	Confident	86 Å²	86	73.1 Å²	73.1	53%	0.528	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.1	174.5	-52.8	0	0	0	0	109.3	V425	T412-V425 WeakPolarHBondContact CA-O 3.12Å
413	E	88	Confident	81.9	Confident	90 Å²	90	75.5 Å²	75.5	42%	0.421	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.5	-179.9	-163.4	157.9	-165	0	0	110	K411 S424 V425 F584	K411-E413 WeakPolarHBondContact CE-OE2 3.22Å; K411-E413 IonicContact NZ-OE2 2.65Å; K411-E413 PolarHBondContact NZ-OE2 2.9Å; E413-S424 WeakPolarHBondContact O-CA 3.33Å; E413-V425 PolarHBondContact N-O 3.48Å; E413-V425 VanDerWaalsContact N-O 3.08Å; E413-V425 PolarHBondContact O-N 3.25Å; E413-F584 HydrophobicContact CB-CD2 3.79Å; E413-F584 HydrophobicContact CB-CE2 3.3Å; E413-F584 HydrophobicContact CB-CZ 3.92Å; E413-F584 HydrophobicContact CG-CD2 4.44Å; E413-F584 HydrophobicContact CG-CE2 4.34Å; E413-F584 VanDerWaalsContact OE2-CD2 3.26Å; E413-F584 WeakPolarHBondContact OE2-CD2 3.34Å; E413-F584 WeakPolarHBondContact OE2-CE2 3.48Å
414	L	90.2	Very high	81.8	Confident	122 Å²	122	78.2 Å²	78.2	64%	0.639	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	115.7	173.3	-71.7	168.3	0	0	0	108.2	E423	L414-E423 WeakPolarHBondContact CA-O 3.31Å
415	V	85.9	Confident	81.6	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.042	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.4	-178.9	-65.8	0	0	0	0	110.3	K417 Y422 E423 V425 Y581 F584	V415-K417 PolarHBondContact O-N 3.01Å; V415-Y422 WeakPolarHBondContact O-CA 3.19Å; V415-E423 PolarHBondContact N-O 3.43Å; V415-E423 PolarHBondContact O-N 2.92Å; V415-V425 HydrophobicContact CG2-CB 3.75Å; V415-V425 HydrophobicContact CG2-CG2 3.42Å; V415-V425 VanDerWaalsContact CG2-CG2 3.42Å; V415-Y581 HydrophobicContact CG2-CD2 3.89Å; V415-F584 HydrophobicContact CG1-CB 3.91Å; V415-F584 HydrophobicContact CG1-CD1 4.42Å; V415-F584 HydrophobicContact CG1-CD2 4.37Å; V415-F584 HydrophobicContact CG1-CG 3.98Å
416	L	83	Confident	81.7	Confident	39 Å²	39	78.5 Å²	78.5	20%	0.204	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.7	176.1	-172	67.8	0	0	0	109.5	Y422 T578 E580	L416-Y422 HydrophobicContact CB-CD1 4.14Å; L416-Y422 HydrophobicContact CB-CE1 3.81Å; L416-Y422 HydrophobicContact CD1-CD2 4.3Å; L416-Y422 HydrophobicContact CD1-CE1 4.48Å; L416-Y422 HydrophobicContact CD1-CE2 4.15Å; L416-T578 HydrophobicContact CB-CG2 4.41Å; L416-T578 HydrophobicContact CD2-CG2 4.44Å; L416-T578 HydrophobicContact CG-CG2 4.21Å; L416-T578 WeakPolarHBondContact O-CB 3.41Å; L416-T578 WeakPolarHBondContact O-CG2 3.31Å; L416-T578 PolarHBondContact O-OG1 2.97Å; L416-E580 WeakPolarHBondContact CB-OE2 3.24Å; L416-E580 PolarHBondContact N-OE2 3.09Å; L416-E580 VanDerWaalsContact N-OE2 3.13Å
417	K	81.6	Confident	82	Confident	45 Å²	45	72.3 Å²	72.3	20%	0.196	37%	0.367	C	S	.	.			trans	-94.8	169.8	172.3	-83	-153.1	-167	160.3	0	112.8	V415 K419 G420 I421 E423 Y581	V415-K417 PolarHBondContact O-N 3.01Å; K417-K419 PolarHBondContact O-N 3.07Å; K417-K419 VanDerWaalsContact O-N 3.13Å; K417-G420 PolarHBondContact O-N 3.41Å; K417-I421 PolarHBondContact N-O 3.44Å; K417-E423 HydrophobicContact CD-CB 4.47Å; K417-E423 HydrophobicContact CD-CG 4.45Å; K417-E423 WeakPolarHBondContact CD-OE2 3.44Å; K417-E423 WeakPolarHBondContact CE-OE2 3.43Å; K417-E423 HydrophobicContact CG-CB 4.35Å; K417-E423 HydrophobicContact CG-CG 4.5Å; K417-E423 IonicContact NZ-OE2 3.92Å; K417-E423 PolarHBondContact NZ-OE2 3.17Å; K417-Y581 HydrophobicContact CG-CD2 4.09Å
418	N	75.9	Confident	82.1	Confident	20 Å²	20	72 Å²	72	11%	0.107	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-36.6	172.6	47.9	19.8	0	0	0	113.6	G420 V485 I576	N418-G420 PolarHBondContact O-N 3.03Å; N418-G420 VanDerWaalsContact O-N 3.09Å; N418-V485 HydrophobicContact CB-CG2 3.85Å; N418-V485 WeakPolarHBondContact O-CG1 3.39Å; N418-I576 PolarHBondContact ND2-O 3.38Å
419	K	73.9	Confident	82.1	Confident	89 Å²	89	70 Å²	70	39%	0.387	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-8.5	174.3	-63.1	-172.9	176.8	-170.4	0	115.4	K417 I421 D491	K417-K419 PolarHBondContact O-N 3.07Å; K417-K419 VanDerWaalsContact O-N 3.13Å; K419-I421 VanDerWaalsContact C-N 3.33Å; K419-D491 WeakPolarHBondContact CE-OD1 3.44Å; K419-D491 IonicContact NZ-OD1 2.64Å; K419-D491 PolarHBondContact NZ-OD1 3.21Å
420	G	72.9	Confident	82	Confident	28 Å²	28	64.8 Å²	64.8	29%	0.289	33%	0.333	S	S	.	.	S	Bend	trans	78	16.1	-177.2	0	0	0	0	0	114.2	K417 N418	K417-G420 PolarHBondContact O-N 3.41Å; N418-G420 PolarHBondContact O-N 3.03Å; N418-G420 VanDerWaalsContact O-N 3.09Å
421	I	79.1	Confident	82.1	Confident	106 Å²	106	63.1 Å²	63.1	54%	0.544	32%	0.318	S	S	.	.	S	Bend	trans	-117.2	145.3	180	-57.9	174.8	0	0	0	108.5	K417 K419	K417-I421 PolarHBondContact N-O 3.44Å; K419-I421 VanDerWaalsContact C-N 3.33Å
422	Y	84.3	Confident	82.1	Confident	140 Å²	140	58.9 Å²	58.9	55%	0.549	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.4	170.8	-73.7	-81.2	0	0	0	110.3	V415 L416	V415-Y422 WeakPolarHBondContact O-CA 3.19Å; L416-Y422 HydrophobicContact CB-CD1 4.14Å; L416-Y422 HydrophobicContact CB-CE1 3.81Å; L416-Y422 HydrophobicContact CD1-CD2 4.3Å; L416-Y422 HydrophobicContact CD1-CE1 4.48Å; L416-Y422 HydrophobicContact CD1-CE2 4.15Å
423	E	85.4	Confident	82.1	Confident	60 Å²	60	56.5 Å²	56.5	28%	0.28	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.2	176.4	-69.3	-179.5	-145.5	0	0	110.6	L414 V415 K417 V425	L414-E423 WeakPolarHBondContact CA-O 3.31Å; V415-E423 PolarHBondContact N-O 3.43Å; V415-E423 PolarHBondContact O-N 2.92Å; K417-E423 HydrophobicContact CD-CB 4.47Å; K417-E423 HydrophobicContact CD-CG 4.45Å; K417-E423 WeakPolarHBondContact CD-OE2 3.44Å; K417-E423 WeakPolarHBondContact CE-OE2 3.43Å; K417-E423 HydrophobicContact CG-CB 4.35Å; K417-E423 HydrophobicContact CG-CG 4.5Å; K417-E423 IonicContact NZ-OE2 3.92Å; K417-E423 PolarHBondContact NZ-OE2 3.17Å; E423-V425 HydrophobicContact CB-CG2 4.44Å; E423-V425 PolarHBondContact O-N 3.4Å
424	S	86.5	Confident	82.1	Confident	88 Å²	88	54 Å²	54	62%	0.615	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	97.5	175.7	55.5	0	0	0	0	110.3	E413	E413-S424 WeakPolarHBondContact O-CA 3.33Å
425	V	83.3	Confident	82.2	Confident	14 Å²	14	51.7 Å²	51.7	9%	0.085	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.7	-177.2	-177.4	0	0	0	0	110.1	T412 E413 V415 E423 Y581 F584 M585	T412-V425 WeakPolarHBondContact CA-O 3.12Å; E413-V425 PolarHBondContact N-O 3.48Å; E413-V425 VanDerWaalsContact N-O 3.08Å; E413-V425 PolarHBondContact O-N 3.25Å; V415-V425 HydrophobicContact CG2-CB 3.75Å; V415-V425 HydrophobicContact CG2-CG2 3.42Å; V415-V425 VanDerWaalsContact CG2-CG2 3.42Å; E423-V425 HydrophobicContact CB-CG2 4.44Å; E423-V425 PolarHBondContact O-N 3.4Å; V425-Y581 HydrophobicContact CB-CE2 4.38Å; V425-Y581 HydrophobicContact CG1-CD2 4.33Å; V425-Y581 HydrophobicContact CG1-CE2 3.73Å; V425-Y581 HydrophobicContact CG2-CD2 3.98Å; V425-Y581 HydrophobicContact CG2-CE2 3.85Å; V425-F584 HydrophobicContact CB-CD1 4.42Å; V425-F584 HydrophobicContact CB-CE1 4.05Å; V425-F584 HydrophobicContact CG1-CD1 4.23Å; V425-F584 HydrophobicContact CG1-CE1 3.9Å; V425-F584 WeakPolarHBondContact O-CE1 3.41Å; V425-F584 VanDerWaalsContact O-CZ 3.28Å; V425-F584 WeakPolarHBondContact O-CZ 3.31Å; V425-M585 HydrophobicContact CG1-SD 4.11Å
426	K	83.8	Confident	82.5	Confident	94 Å²	94	51.3 Å²	51.3	41%	0.409	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	106.7	-179	-178.6	-172.8	174.1	-168.2	0	109.9	K411 I428	K411-K426 CarbonylContact O-C 3.57Å; K411-K426 WeakPolarHBondContact O-CA 3.48Å; K426-I428 HydrophobicContact CD-CD1 4.4Å; K426-I428 HydrophobicContact CD-CG1 4.43Å; K426-I428 HydrophobicContact CG-CG1 4.15Å
427	F	81.3	Confident	83	Confident	17 Å²	17	49.5 Å²	49.5	8%	0.075	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.8	167.1	-179	-109.4	0	0	0	109.1	S410 K411 Q429 F584 M585 H586	S410-F427 CarbonylContact C-O 3.51Å; S410-F427 VanDerWaalsContact CA-O 3.23Å; S410-F427 WeakPolarHBondContact CA-O 3.41Å; K411-F427 PolarHBondContact N-O 3.16Å; K411-F427 PolarHBondContact O-N 3.3Å; F427-Q429 HydrophobicContact CD1-CB 4.36Å; F427-Q429 HydrophobicContact CE1-CB 3.83Å; F427-Q429 HydrophobicContact CE1-CG 4.21Å; F427-F584 HydrophobicContact CB-CD1 4.32Å; F427-F584 HydrophobicContact CB-CE1 3.59Å; F427-F584 HydrophobicContact CB-CZ 3.73Å; F427-M585 HydrophobicContact CB-SD 4.28Å; F427-M585 HydrophobicContact CD2-CE 3.93Å; F427-M585 HydrophobicContact CD2-SD 3.89Å; F427-H586 AromaticContact CE1-CD2 3.66Å; F427-H586 AromaticContact CZ-CD2 3.74Å
428	I	78.2	Confident	83.3	Confident	60 Å²	60	47.8 Å²	47.8	31%	0.308	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	104.8	-177.4	-56	179.5	0	0	0	108.4	Q408 K426	Q408-I428 HydrophobicContact CB-CG2 3.89Å; Q408-I428 HydrophobicContact CG-CG2 4.41Å; K426-I428 HydrophobicContact CD-CD1 4.4Å; K426-I428 HydrophobicContact CD-CG1 4.43Å; K426-I428 HydrophobicContact CG-CG1 4.15Å
429	Q	78.1	Confident	83.8	Confident	47 Å²	47	48.1 Å²	48.1	22%	0.22	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	139	176.8	-160.6	172.9	38.6	0	0	110.8	P403 R409 F427	P403-Q429 VanDerWaalsContact CD-OE1 3.28Å; R409-Q429 PolarHBondContact N-O 3.45Å; R409-Q429 PolarHBondContact O-N 2.9Å; F427-Q429 HydrophobicContact CD1-CB 4.36Å; F427-Q429 HydrophobicContact CE1-CB 3.83Å; F427-Q429 HydrophobicContact CE1-CG 4.21Å
430	Q	77	Confident	84.2	Confident	40 Å²	40	45.7 Å²	45.7	19%	0.187	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.7	171.4	-69.2	-172.7	-16.4	0	0	110.3	W733 Y815	Q430-W733 HydrophobicContact CB-CH2 3.77Å; Q430-W733 HydrophobicContact CB-CZ3 4.14Å; Q430-W733 HydrophobicContact CG-CH2 3.88Å; Q430-W733 HydrophobicContact CG-CZ3 4.35Å; Q430-W733 VanDerWaalsContact OE1-CZ3 3.31Å; Q430-Y815 VanDerWaalsContact NE2-CE1 3.32Å
431	E	83.2	Confident	85	Confident	28 Å²	28	46.4 Å²	46.4	13%	0.131	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-79.6	137.9	175.3	-62.1	-174.1	136	0	0	111.1	P403 G405 F406 S407 R409	P403-E431 HydrophobicContact CB-CG 4.34Å; P403-E431 CarbonylContact O-C 3.59Å; P403-E431 VanDerWaalsContact O-CA 3.24Å; P403-E431 WeakPolarHBondContact O-CA 3.29Å; P403-E431 WeakPolarHBondContact O-CB 3.43Å; G405-E431 WeakPolarHBondContact CA-OE2 3.32Å; F406-E431 PolarHBondContact N-OE2 3.13Å; S407-E431 WeakPolarHBondContact CA-OE2 3.43Å; S407-E431 WeakPolarHBondContact CB-OE2 3.27Å; S407-E431 PolarHBondContact N-OE2 2.89Å; S407-E431 VanDerWaalsContact O-CB 3.32Å; S407-E431 WeakPolarHBondContact O-CB 3.35Å; S407-E431 VanDerWaalsContact O-CG 3.27Å; S407-E431 WeakPolarHBondContact O-CG 3.47Å; S407-E431 PolarHBondContact O-N 3.09Å; S407-E431 VanDerWaalsContact OG-CD 3.3Å; S407-E431 PolarHBondContact OG-OE2 2.62Å; R409-E431 HydrophobicContact CB-CG 3.94Å
432	N	85.1	Confident	85.5	Confident	17 Å²	17	42 Å²	42	9%	0.091	21%	0.208	C	C	.	.			trans	-108.6	96.1	-176	-175.7	-3.7	0	0	0	111.7	A402 P403 W434 I435 G436 P437 A631	A402-N432 HydrophobicContact CB-CB 4Å; P403-N432 PolarHBondContact O-N 3.37Å; N432-W434 PolarHBondContact O-N 2.7Å; N432-W434 WeakPolarHBondContact OD1-CA 3.2Å; N432-W434 VanDerWaalsContact OD1-CB 3.28Å; N432-W434 WeakPolarHBondContact OD1-CB 3.44Å; N432-W434 PolarHBondContact OD1-N 2.72Å; N432-I435 PolarHBondContact O-N 3.35Å; N432-G436 PolarHBondContact ND2-O 3.36Å; N432-P437 PolarHBondContact ND2-O 2.99Å; N432-A631 PolarHBondContact ND2-O 2.76Å
433	F	87.3	Confident	85.8	Confident	36 Å²	36	35.5 Å²	35.5	16%	0.158	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.1	176.8	81.1	-88.5	0	0	0	114.5	G405 F406 I435 W733	G405-F433 WeakPolarHBondContact O-CB 3.34Å; G405-F433 PolarHBondContact O-N 3.34Å; G405-F433 VanDerWaalsContact O-N 3.16Å; F406-F433 HydrophobicContact CD1-CB 3.9Å; F406-F433 AromaticContact CD1-CD1 3.82Å; F406-F433 HydrophobicContact CD1-CD1 3.82Å; F406-F433 HydrophobicContact CD1-CE1 4.46Å; F406-F433 AromaticContact CD1-CG 3.88Å; F406-F433 HydrophobicContact CD1-CG 3.88Å; F406-F433 HydrophobicContact CD2-CB 4.49Å; F406-F433 HydrophobicContact CE1-CB 3.53Å; F406-F433 AromaticContact CE1-CD1 3.58Å; F406-F433 HydrophobicContact CE1-CD1 3.58Å; F406-F433 AromaticContact CE1-CD2 3.62Å; F406-F433 HydrophobicContact CE1-CD2 3.62Å; F406-F433 HydrophobicContact CE1-CE1 4.1Å; F406-F433 HydrophobicContact CE1-CE2 4.14Å; F406-F433 AromaticContact CE1-CG 3.29Å; F406-F433 HydrophobicContact CE1-CG 3.29Å; F406-F433 HydrophobicContact CE1-CZ 4.35Å; F406-F433 HydrophobicContact CE2-CB 4.16Å; F406-F433 HydrophobicContact CG-CB 4.37Å; F406-F433 HydrophobicContact CZ-CB 3.67Å; F406-F433 HydrophobicContact CZ-CD1 4.5Å; F406-F433 AromaticContact CZ-CD2 3.88Å; F406-F433 HydrophobicContact CZ-CD2 3.88Å; F406-F433 AromaticContact CZ-CG 3.79Å; F406-F433 HydrophobicContact CZ-CG 3.79Å; F433-I435 PolarHBondContact O-N 3.08Å; F433-W733 HydrophobicContact CD1-CG 4.45Å; F433-W733 HydrophobicContact CE1-CB 3.83Å; F433-W733 AromaticContact CE1-CD1 3.9Å; F433-W733 AromaticContact CE1-CG 4Å; F433-W733 HydrophobicContact CE1-CG 4Å
434	W	88.8	Confident	86	Confident	37 Å²	37	35.9 Å²	35.9	14%	0.14	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.6	177.6	-61	111.5	0	0	0	113.7	N432 A631 G632 L633 F634 H635	N432-W434 PolarHBondContact O-N 2.7Å; N432-W434 WeakPolarHBondContact OD1-CA 3.2Å; N432-W434 VanDerWaalsContact OD1-CB 3.28Å; N432-W434 WeakPolarHBondContact OD1-CB 3.44Å; N432-W434 PolarHBondContact OD1-N 2.72Å; W434-A631 HydrophobicContact CB-CB 4.14Å; W434-A631 VanDerWaalsContact CD1-CB 3.48Å; W434-A631 HydrophobicContact CG-CB 3.91Å; W434-G632 CarbonylContact O-C 3.53Å; W434-G632 WeakPolarHBondContact O-CA 3.41Å; W434-L633 PolarHBondContact O-N 2.97Å; W434-L633 VanDerWaalsContact O-N 3.15Å; W434-F634 HydrophobicContact CE3-CB 4.35Å; W434-F634 AromaticContact CE3-CD1 3.63Å; W434-F634 HydrophobicContact CE3-CD1 3.63Å; W434-F634 HydrophobicContact CE3-CE1 4.41Å; W434-F634 HydrophobicContact CE3-CG 4.39Å; W434-F634 AromaticContact CZ3-CD1 3.74Å; W434-F634 HydrophobicContact CZ3-CD1 3.74Å; W434-F634 HydrophobicContact CZ3-CE1 4.07Å; W434-F634 WeakPolarHBondContact O-CB 3.35Å; W434-F634 PolarHBondContact O-N 3.12Å; W434-H635 HydrophobicContact CB-CB 4.2Å; W434-H635 HydrophobicContact CD2-CB 3.73Å; W434-H635 HydrophobicContact CE3-CB 3.55Å; W434-H635 HydrophobicContact CG-CB 4.05Å; W434-H635 HydrophobicContact CZ3-CB 4.11Å
435	I	92.1	Very high	86.2	Confident	73 Å²	73	33.1 Å²	33.1	37%	0.374	16%	0.163	S	C	.	.	S	Bend	trans	61.6	75.1	-177.1	-45.2	175.9	0	0	0	110.7	F401 V404 N432 F433 G632 L633	F401-I435 HydrophobicContact CD1-CG2 3.96Å; F401-I435 HydrophobicContact CE1-CG2 4.08Å; V404-I435 HydrophobicContact CG1-CG1 4.12Å; V404-I435 HydrophobicContact CG2-CB 4.49Å; V404-I435 HydrophobicContact CG2-CG1 4.08Å; V404-I435 HydrophobicContact CG2-CG2 4.35Å; N432-I435 PolarHBondContact O-N 3.35Å; F433-I435 PolarHBondContact O-N 3.08Å; I435-G632 CarbonylContact O-C 3.58Å; I435-G632 WeakPolarHBondContact O-CA 3.29Å; I435-L633 PolarHBondContact O-N 2.84Å
436	G	92.9	Very high	86.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-159.3	-165.9	179.9	0	0	0	0	0	112.4	F401 A402 N432	F401-G436 CarbonylContact C-O 3.56Å; F401-G436 WeakPolarHBondContact CA-O 3.29Å; A402-G436 PolarHBondContact N-O 3.08Å; N432-G436 PolarHBondContact ND2-O 3.36Å
437	P	92.4	Very high	87	Confident	1 Å²	1	28 Å²	28	1%	0.006	14%	0.14	C	C	.	.			trans	-60.1	177.3	176.6	-23.8	35.6	0	0	0	113.9	A395 N432 D441	A395-P437 HydrophobicContact CB-CG 4.28Å; N432-P437 PolarHBondContact ND2-O 2.99Å; P437-D441 HydrophobicContact CB-CB 3.66Å
438	S	88.3	Confident	87.5	Confident	8 Å²	8	27.2 Å²	27.2	6%	0.056	14%	0.136	C	C	.	.			trans	-71.7	168.4	172.2	70.8	0	0	0	0	112.3	D440 D441 L442	S438-D440 PolarHBondContact O-N 3.27Å; S438-D440 PolarHBondContact OG-N 3.01Å; S438-D441 VanDerWaalsContact CB-OD2 3.26Å; S438-D441 WeakPolarHBondContact CB-OD2 3.44Å; S438-D441 PolarHBondContact N-OD2 2.85Å; S438-D441 PolarHBondContact OG-N 2.89Å; S438-D441 VanDerWaalsContact OG-N 3.11Å; S438-D441 PolarHBondContact OG-OD2 2.98Å; S438-L442 WeakPolarHBondContact O-CD1 3.43Å; S438-L442 VanDerWaalsContact O-CG 3.25Å; S438-L442 WeakPolarHBondContact O-CG 3.27Å; S438-L442 PolarHBondContact O-N 2.98Å
439	S	85.4	Confident	88.1	Confident	27 Å²	27	25 Å²	25	19%	0.189	12%	0.124	C	C	.	.	H	α-helix	trans	-52.4	-35.6	167.4	43.1	0	0	0	0	112.2	L442 I443	S439-L442 WeakPolarHBondContact O-CB 3.45Å; S439-L442 PolarHBondContact O-N 2.8Å; S439-I443 WeakPolarHBondContact O-CG1 3.32Å; S439-I443 PolarHBondContact O-N 2.66Å
440	D	83.4	Confident	88.7	Confident	39 Å²	39	22.9 Å²	22.9	21%	0.209	12%	0.115	C	C	.	.	H	α-helix	trans	-85.5	-40.2	-164.8	-41.9	-41.5	0	0	0	109.6	S438 L442 I443 H444 T570	S438-D440 PolarHBondContact O-N 3.27Å; S438-D440 PolarHBondContact OG-N 3.01Å; D440-L442 PolarHBondContact O-N 3.26Å; D440-I443 PolarHBondContact O-N 3.31Å; D440-I443 VanDerWaalsContact O-N 3.15Å; D440-H444 PolarHBondContact O-N 3.11Å; D440-T570 HydrophobicContact CB-CG2 3.66Å
441	D	89	Confident	89.3	Confident	43 Å²	43	21 Å²	21	23%	0.23	11%	0.106	C	C	.	.	H	α-helix	trans	-56.2	-37.9	165.4	-56.7	-52.2	0	0	0	111.6	Y399 P437 S438 H444 L445	Y399-D441 HydrophobicContact CD1-CB 3.75Å; Y399-D441 VanDerWaalsContact CD1-OD1 3.26Å; Y399-D441 WeakPolarHBondContact CD1-OD1 3.17Å; Y399-D441 HydrophobicContact CE1-CB 4.44Å; Y399-D441 HydrophobicContact CG-CB 3.89Å; P437-D441 HydrophobicContact CB-CB 3.66Å; S438-D441 VanDerWaalsContact CB-OD2 3.26Å; S438-D441 WeakPolarHBondContact CB-OD2 3.44Å; S438-D441 PolarHBondContact N-OD2 2.85Å; S438-D441 PolarHBondContact OG-N 2.89Å; S438-D441 VanDerWaalsContact OG-N 3.11Å; S438-D441 PolarHBondContact OG-OD2 2.98Å; D441-H444 PolarHBondContact O-N 3.45Å; D441-L445 WeakPolarHBondContact O-CB 3.45Å; D441-L445 WeakPolarHBondContact O-CG 3.32Å; D441-L445 PolarHBondContact O-N 3.43Å
442	L	90.4	Very high	89.6	Confident	12 Å²	12	19.7 Å²	19.7	6%	0.063	10%	0.1	C	C	.	.	H	α-helix	trans	-70.5	-36.6	178	-70	168	0	0	0	111.6	S438 S439 D440 L445 G446 A447 A631 V684	S438-L442 WeakPolarHBondContact O-CD1 3.43Å; S438-L442 VanDerWaalsContact O-CG 3.25Å; S438-L442 WeakPolarHBondContact O-CG 3.27Å; S438-L442 PolarHBondContact O-N 2.98Å; S439-L442 WeakPolarHBondContact O-CB 3.45Å; S439-L442 PolarHBondContact O-N 2.8Å; D440-L442 PolarHBondContact O-N 3.26Å; L442-L445 HydrophobicContact CD2-CD1 4.41Å; L442-L445 PolarHBondContact O-N 3.42Å; L442-G446 PolarHBondContact O-N 3.15Å; L442-A447 HydrophobicContact CB-CB 4.33Å; L442-A447 WeakPolarHBondContact O-CB 3.44Å; L442-A447 PolarHBondContact O-N 3.06Å; L442-A631 HydrophobicContact CD1-CB 4.44Å; L442-V684 HydrophobicContact CD1-CG2 4.13Å; L442-V684 HydrophobicContact CD2-CG2 4.31Å
443	I	90.1	Very high	89.9	Confident	4 Å²	4	18.9 Å²	18.9	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-61.5	-48.5	169.6	-59.9	165.8	0	0	0	109.6	S439 D440 L445 G446 F449 V605 R622 A682	S439-I443 WeakPolarHBondContact O-CG1 3.32Å; S439-I443 PolarHBondContact O-N 2.66Å; D440-I443 PolarHBondContact O-N 3.31Å; D440-I443 VanDerWaalsContact O-N 3.15Å; I443-L445 VanDerWaalsContact C-N 3.26Å; I443-L445 PolarHBondContact O-N 2.99Å; I443-G446 PolarHBondContact O-N 2.85Å; I443-F449 HydrophobicContact CD1-CD1 4.31Å; I443-F449 HydrophobicContact CD1-CD2 4.09Å; I443-F449 HydrophobicContact CD1-CE1 4.38Å; I443-F449 HydrophobicContact CD1-CE2 4.15Å; I443-F449 HydrophobicContact CD1-CG 4.16Å; I443-F449 HydrophobicContact CD1-CZ 4.3Å; I443-F449 HydrophobicContact CG1-CB 4.32Å; I443-F449 HydrophobicContact CG1-CD2 4.42Å; I443-F449 HydrophobicContact CG1-CG 4.23Å; I443-F449 HydrophobicContact CG2-CB 4.22Å; I443-F449 HydrophobicContact CG2-CD1 4.04Å; I443-F449 HydrophobicContact CG2-CG 4.27Å; I443-V605 HydrophobicContact CG2-CG1 4.1Å; I443-R622 PolarHBondContact O-NH1 3.13Å; I443-R622 PolarHBondContact O-NH2 3.42Å; I443-A682 HydrophobicContact CD1-CB 3.83Å; I443-A682 HydrophobicContact CG1-CB 3.41Å; I443-A682 VanDerWaalsContact CG1-CB 3.41Å
444	H	88.9	Confident	90	Very high	69 Å²	69	17.9 Å²	17.9	32%	0.319	9%	0.091	S	C	.	.	H	α-helix	trans	-60.7	-34.2	178.3	-172.2	-98.6	0	0	0	112.6	Y399 D440 D441 G446 D604 G607 L608	Y399-H444 AromaticContact CE1-ND1 3.91Å; Y399-H444 AromaticContact CZ-ND1 3.79Å; Y399-H444 PolarHBondContact OH-ND1 3.26Å; D440-H444 PolarHBondContact O-N 3.11Å; D441-H444 PolarHBondContact O-N 3.45Å; H444-G446 VanDerWaalsContact C-N 3.28Å; H444-G446 PolarHBondContact O-N 3.26Å; H444-D604 PolarHBondContact CD2-O 3.39Å; H444-G607 CarbonylContact O-C 3.59Å; H444-L608 PolarHBondContact O-N 2.93Å
445	L	90.9	Very high	89.9	Confident	30 Å²	30	21.2 Å²	21.2	16%	0.157	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.7	173.8	-85.8	166.7	0	0	0	115.6	A395 Y399 D441 L442 I443 L629	A395-L445 HydrophobicContact CB-CD1 3.62Å; Y399-L445 HydrophobicContact CD2-CD1 3.78Å; Y399-L445 HydrophobicContact CD2-CD2 4.49Å; Y399-L445 HydrophobicContact CD2-CG 4.15Å; Y399-L445 HydrophobicContact CE2-CD1 3.75Å; Y399-L445 HydrophobicContact CE2-CD2 3.71Å; Y399-L445 HydrophobicContact CE2-CG 3.59Å; D441-L445 WeakPolarHBondContact O-CB 3.45Å; D441-L445 WeakPolarHBondContact O-CG 3.32Å; D441-L445 PolarHBondContact O-N 3.43Å; L442-L445 HydrophobicContact CD2-CD1 4.41Å; L442-L445 PolarHBondContact O-N 3.42Å; I443-L445 VanDerWaalsContact C-N 3.26Å; I443-L445 PolarHBondContact O-N 2.99Å; L445-L629 HydrophobicContact CB-CD1 4.39Å; L445-L629 HydrophobicContact CB-CD2 4.09Å
446	G	92	Very high	89.5	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.9	25.3	178.9	0	0	0	0	0	116.1	L442 I443 H444	L442-G446 PolarHBondContact O-N 3.15Å; I443-G446 PolarHBondContact O-N 2.85Å; H444-G446 VanDerWaalsContact C-N 3.28Å; H444-G446 PolarHBondContact O-N 3.26Å
447	A	92.9	Very high	89	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.			trans	-57.7	160.3	171.8	0	0	0	0	0	113.5	L442 F449 R622 V684	L442-A447 HydrophobicContact CB-CB 4.33Å; L442-A447 WeakPolarHBondContact O-CB 3.44Å; L442-A447 PolarHBondContact O-N 3.06Å; A447-F449 PolarHBondContact O-N 3.21Å; A447-F449 VanDerWaalsContact O-N 3.08Å; A447-R622 WeakPolarHBondContact O-CD 3.28Å; A447-R622 PolarHBondContact O-NH1 3.48Å; A447-V684 HydrophobicContact CB-CG1 3.4Å
448	K	92.2	Very high	88.5	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-65.9	104.4	171	-176.4	-129.6	80.6	177.9	0	108.3	M453 L623 S674 A675 L678 R681 A682 E683	K448-M453 HydrophobicContact CG-CE 4.27Å; K448-L623 HydrophobicContact CG-CD2 4.13Å; K448-S674 PolarHBondContact NZ-OG 2.04Å; K448-A675 HydrophobicContact CD-CB 4.13Å; K448-A675 HydrophobicContact CG-CB 4.16Å; K448-L678 PolarHBondContact NZ-O 3.32Å; K448-R681 VanDerWaalsContact CE-O 3.27Å; K448-R681 WeakPolarHBondContact CE-O 3.27Å; K448-R681 PolarHBondContact NZ-O 3.04Å; K448-A682 WeakPolarHBondContact O-CA 3.43Å; K448-E683 WeakPolarHBondContact CB-O 2.98Å; K448-E683 HydrophobicContact CD-CB 4.46Å; K448-E683 PolarHBondContact N-O 3.09Å; K448-E683 IonicContact NZ-OE2 2.74Å; K448-E683 PolarHBondContact NZ-OE2 3.41Å; K448-E683 PolarHBondContact O-N 2.88Å; K448-E683 VanDerWaalsContact O-N 3.17Å
449	F	90.8	Very high	88	Confident	13 Å²	13	29.8 Å²	29.8	6%	0.057	14%	0.144	C	C	.	.			trans	-143.2	115.5	176.1	-171.6	-113.8	0	0	0	108.9	I443 A447 P451 C452 A682	I443-F449 HydrophobicContact CD1-CD1 4.31Å; I443-F449 HydrophobicContact CD1-CD2 4.09Å; I443-F449 HydrophobicContact CD1-CE1 4.38Å; I443-F449 HydrophobicContact CD1-CE2 4.15Å; I443-F449 HydrophobicContact CD1-CG 4.16Å; I443-F449 HydrophobicContact CD1-CZ 4.3Å; I443-F449 HydrophobicContact CG1-CB 4.32Å; I443-F449 HydrophobicContact CG1-CD2 4.42Å; I443-F449 HydrophobicContact CG1-CG 4.23Å; I443-F449 HydrophobicContact CG2-CB 4.22Å; I443-F449 HydrophobicContact CG2-CD1 4.04Å; I443-F449 HydrophobicContact CG2-CG 4.27Å; A447-F449 PolarHBondContact O-N 3.21Å; A447-F449 VanDerWaalsContact O-N 3.08Å; F449-P451 HydrophobicContact CD1-CB 4.09Å; F449-P451 HydrophobicContact CD1-CG 4.09Å; F449-P451 HydrophobicContact CE1-CB 3.75Å; F449-P451 HydrophobicContact CE1-CG 3.62Å; F449-P451 HydrophobicContact CZ-CB 4.48Å; F449-P451 HydrophobicContact CZ-CG 3.89Å; F449-C452 PolarHBondContact O-N 2.99Å; F449-A682 HydrophobicContact CD2-CB 4.2Å
450	S	90.2	Very high	87.9	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.014	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68	-34	-164.3	-58.9	0	0	0	0	115.1	C452 M453 R454 A675 P679	S450-C452 PolarHBondContact O-N 2.97Å; S450-M453 PolarHBondContact O-N 3.36Å; S450-R454 PolarHBondContact O-N 3.43Å; S450-R454 VanDerWaalsContact O-N 3.07Å; S450-A675 VanDerWaalsContact OG-CA 3.3Å; S450-A675 WeakPolarHBondContact OG-CA 3.37Å; S450-A675 WeakPolarHBondContact OG-CB 3.45Å; S450-A675 PolarHBondContact OG-O 2.92Å; S450-P679 PolarHBondContact N-O 2.99Å
451	P	88.5	Confident	87.9	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-55.2	-28.9	171.3	-31.1	38.4	0	0	0	115	F449 M453 I459 L602 P617 P679 Y680	F449-P451 HydrophobicContact CD1-CB 4.09Å; F449-P451 HydrophobicContact CD1-CG 4.09Å; F449-P451 HydrophobicContact CE1-CB 3.75Å; F449-P451 HydrophobicContact CE1-CG 3.62Å; F449-P451 HydrophobicContact CZ-CB 4.48Å; F449-P451 HydrophobicContact CZ-CG 3.89Å; P451-M453 VanDerWaalsContact C-N 3.3Å; P451-I459 HydrophobicContact CB-CD1 3.6Å; P451-I459 HydrophobicContact CG-CD1 3.43Å; P451-I459 VanDerWaalsContact CG-CD1 3.43Å; P451-L602 HydrophobicContact CB-CD1 4.33Å; P451-P617 WeakPolarHBondContact O-CB 3.49Å; P451-P617 WeakPolarHBondContact O-CG 3.43Å; P451-P679 WeakPolarHBondContact CD-O 3.03Å; P451-Y680 HydrophobicContact CG-CD1 4.16Å; P451-Y680 HydrophobicContact CG-CE1 4.33Å
452	C	89.7	Confident	87.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-78.9	-12.1	175.6	-57.5	0	0	0	0	113.7	F449 S450 C606 D618 Q619 R622	F449-C452 PolarHBondContact O-N 2.99Å; S450-C452 PolarHBondContact O-N 2.97Å; C452-C606 WeakPolarHBondContact CA-SG 3.09Å; C452-C606 HydrophobicContact CB-CB 3.7Å; C452-C606 WeakPolarHBondContact CB-SG 3.34Å; C452-C606 VanDerWaalsContact SG-CA 3.52Å; C452-C606 WeakPolarHBondContact SG-CB 3.43Å; C452-C606 CovalentContact SG-SG 2.03Å; C452-C606 PolarHBondContact SG-SG 3.12Å; C452-D618 PolarHBondContact O-N 2.96Å; C452-Q619 VanDerWaalsContact O-CB 3.23Å; C452-Q619 WeakPolarHBondContact O-CB 3.37Å; C452-Q619 WeakPolarHBondContact O-CG 3.23Å; C452-Q619 PolarHBondContact O-N 3.05Å; C452-R622 VanDerWaalsContact CB-NE 3.28Å
453	M	91.1	Very high	87	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-16	-170.9	-59.1	-173.2	-66.9	0	0	113.9	K448 S450 P451 P617 R622 L623 A675 F789 Y790	K448-M453 HydrophobicContact CG-CE 4.27Å; S450-M453 PolarHBondContact O-N 3.36Å; P451-M453 VanDerWaalsContact C-N 3.3Å; M453-P617 CarbonylContact C-O 3.33Å; M453-R622 HydrophobicContact CG-CB 4.16Å; M453-R622 HydrophobicContact SD-CB 3.69Å; M453-L623 HydrophobicContact CE-CD2 3.64Å; M453-L623 HydrophobicContact CE-CG 4.35Å; M453-L623 HydrophobicContact SD-CD2 3.59Å; M453-L623 VanDerWaalsContact SD-CD2 3.59Å; M453-L623 HydrophobicContact SD-CG 3.66Å; M453-A675 HydrophobicContact CE-CB 3.71Å; M453-F789 HydrophobicContact CB-CE1 4.08Å; M453-F789 HydrophobicContact CB-CZ 3.91Å; M453-F789 HydrophobicContact CE-CZ 4.1Å; M453-Y790 WeakPolarHBondContact O-CE1 3.26Å; M453-Y790 PolarHBondContact O-OH 3.38Å
454	R	90.1	Very high	86.7	Confident	16 Å²	16	44.2 Å²	44.2	6%	0.06	20%	0.204	C	C	.	.	S	Bend	trans	-156.1	154.5	173.1	69.7	176.6	-167.4	-167.5	-2.7	109.7	S450 D456 F789 Y790	S450-R454 PolarHBondContact O-N 3.43Å; S450-R454 VanDerWaalsContact O-N 3.07Å; R454-D456 PolarHBondContact O-N 3.39Å; R454-F789 HydrophobicContact CB-CE1 4.03Å; R454-F789 HydrophobicContact CB-CZ 4.25Å; R454-F789 WeakPolarHBondContact CD-O 3.42Å; R454-F789 HydrophobicContact CG-CE1 4.1Å; R454-F789 HydrophobicContact CG-CE2 4.45Å; R454-F789 HydrophobicContact CG-CZ 3.84Å; R454-F789 PolarHBondContact NH1-O 2.91Å; R454-Y790 HydrophobicContact CB-CD1 4.44Å; R454-Y790 HydrophobicContact CB-CE1 4.27Å
455	Q	86.2	Confident	86.5	Confident	107 Å²	107	47.3 Å²	47.3	50%	0.5	22%	0.216	S	C	.	.			trans	-63.6	130.1	169.7	-75.7	-177.3	-18.6	0	0	110.7	V460 D615 P617	Q455-V460 HydrophobicContact CB-CG2 4.37Å; Q455-D615 PolarHBondContact NE2-O 2.88Å; Q455-P617 HydrophobicContact CG-CG 4.08Å
456	D	84.1	Confident	86.1	Confident	21 Å²	21	47.7 Å²	47.7	11%	0.112	22%	0.219	C	C	.	.			trans	-102.8	137.1	175.4	-174.7	-88.1	0	0	0	112.3	R454 Q458 I459 V460 Y680	R454-D456 PolarHBondContact O-N 3.39Å; D456-Q458 PolarHBondContact O-N 3.06Å; D456-Q458 WeakPolarHBondContact OD1-CA 3.21Å; D456-Q458 WeakPolarHBondContact OD1-CB 3.45Å; D456-Q458 PolarHBondContact OD1-N 3.22Å; D456-I459 HydrophobicContact CB-CB 4.4Å; D456-I459 HydrophobicContact CB-CD1 4.35Å; D456-I459 PolarHBondContact O-N 2.99Å; D456-I459 PolarHBondContact OD1-N 2.69Å; D456-V460 WeakPolarHBondContact O-CB 3.34Å; D456-V460 VanDerWaalsContact O-CG2 3.25Å; D456-V460 WeakPolarHBondContact O-CG2 3.49Å; D456-V460 PolarHBondContact O-N 2.96Å; D456-Y680 PolarHBondContact OD1-OH 3.49Å; D456-Y680 VanDerWaalsContact OD1-OH 3.05Å
457	K	81.9	Confident	85.8	Confident	149 Å²	149	50.8 Å²	50.8	65%	0.648	23%	0.232	S	C	*	.	H	α-helix	trans	-72.8	-22.9	-174	-67.3	-178.8	-179.4	176.5	0	114.1	R461	K457-R461 WeakPolarHBondContact O-CB 3.49Å; K457-R461 WeakPolarHBondContact O-CD 3.36Å; K457-R461 WeakPolarHBondContact O-CG 3.15Å; K457-R461 PolarHBondContact O-N 3.36Å
458	Q	81.3	Confident	85.6	Confident	81 Å²	81	54.2 Å²	54.2	38%	0.379	25%	0.25	S	S	.	.	H	α-helix	trans	-78.8	-48.2	173.5	-62.5	-172.8	-103.9	0	0	109.9	D456 V460 R461 M462 Y680	D456-Q458 PolarHBondContact O-N 3.06Å; D456-Q458 WeakPolarHBondContact OD1-CA 3.21Å; D456-Q458 WeakPolarHBondContact OD1-CB 3.45Å; D456-Q458 PolarHBondContact OD1-N 3.22Å; Q458-V460 PolarHBondContact O-N 3.11Å; Q458-R461 WeakPolarHBondContact O-CB 3.39Å; Q458-R461 PolarHBondContact O-N 3.36Å; Q458-M462 WeakPolarHBondContact O-CG 3.44Å; Q458-M462 PolarHBondContact O-N 3.07Å; Q458-Y680 PolarHBondContact OE1-OH 3.02Å
459	I	79.8	Confident	85.3	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.051	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-43.3	-179.8	-65.3	171.1	0	0	0	111.2	P451 D456 R461 M462 I463 Y680 I817	P451-I459 HydrophobicContact CB-CD1 3.6Å; P451-I459 HydrophobicContact CG-CD1 3.43Å; P451-I459 VanDerWaalsContact CG-CD1 3.43Å; D456-I459 HydrophobicContact CB-CB 4.4Å; D456-I459 HydrophobicContact CB-CD1 4.35Å; D456-I459 PolarHBondContact O-N 2.99Å; D456-I459 PolarHBondContact OD1-N 2.69Å; I459-R461 VanDerWaalsContact C-N 3.3Å; I459-R461 PolarHBondContact O-N 3.38Å; I459-M462 PolarHBondContact O-N 2.94Å; I459-M462 VanDerWaalsContact O-N 3.16Å; I459-I463 HydrophobicContact CG2-CD1 3.76Å; I459-I463 HydrophobicContact CG2-CG1 4.36Å; I459-I463 WeakPolarHBondContact O-CG1 3.37Å; I459-I463 PolarHBondContact O-N 3.45Å; I459-Y680 HydrophobicContact CD1-CE1 4.4Å; I459-I817 HydrophobicContact CG1-CD1 4.42Å
460	V	82.3	Confident	85.2	Confident	69 Å²	69	57.6 Å²	57.6	42%	0.418	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-34.9	175.5	170.5	0	0	0	0	112	Q455 D456 Q458 Q464	Q455-V460 HydrophobicContact CB-CG2 4.37Å; D456-V460 WeakPolarHBondContact O-CB 3.34Å; D456-V460 VanDerWaalsContact O-CG2 3.25Å; D456-V460 WeakPolarHBondContact O-CG2 3.49Å; D456-V460 PolarHBondContact O-N 2.96Å; Q458-V460 PolarHBondContact O-N 3.11Å; V460-Q464 WeakPolarHBondContact O-CB 3.31Å; V460-Q464 PolarHBondContact O-N 3.27Å
461	R	84.1	Confident	85.1	Confident	179 Å²	179	63.4 Å²	63.4	68%	0.675	29%	0.29	S	S	*	.	H	α-helix	trans	-68.8	-37.5	173.5	-76.4	170.3	-176.1	172.8	-2.4	112.6	K457 Q458 I459 K465	K457-R461 WeakPolarHBondContact O-CB 3.49Å; K457-R461 WeakPolarHBondContact O-CD 3.36Å; K457-R461 WeakPolarHBondContact O-CG 3.15Å; K457-R461 PolarHBondContact O-N 3.36Å; Q458-R461 WeakPolarHBondContact O-CB 3.39Å; Q458-R461 PolarHBondContact O-N 3.36Å; I459-R461 VanDerWaalsContact C-N 3.3Å; I459-R461 PolarHBondContact O-N 3.38Å; R461-K465 WeakPolarHBondContact O-CB 3.33Å; R461-K465 PolarHBondContact O-N 2.95Å
462	M	79.4	Confident	85	Confident	41 Å²	41	69.3 Å²	69.3	20%	0.202	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-50.3	175.1	-69.5	169	175.3	0	0	110.6	Q458 I459 Q464 K465 D466 I817 D818	Q458-M462 WeakPolarHBondContact O-CG 3.44Å; Q458-M462 PolarHBondContact O-N 3.07Å; I459-M462 PolarHBondContact O-N 2.94Å; I459-M462 VanDerWaalsContact O-N 3.16Å; M462-Q464 VanDerWaalsContact C-N 3.3Å; M462-Q464 PolarHBondContact O-N 3.39Å; M462-K465 PolarHBondContact O-N 3.03Å; M462-K465 VanDerWaalsContact O-N 3.16Å; M462-D466 WeakPolarHBondContact O-CB 3.37Å; M462-D466 PolarHBondContact O-N 3.37Å; M462-I817 HydrophobicContact CE-CB 4.13Å; M462-I817 HydrophobicContact CE-CG2 3.8Å; M462-I817 HydrophobicContact SD-CG2 3.71Å; M462-D818 WeakPolarHBondContact CE-OD1 3.49Å; M462-D818 VanDerWaalsContact CE-OD2 3.32Å; M462-D818 WeakPolarHBondContact CE-OD2 3.39Å
463	I	80	Confident	85	Confident	45 Å²	45	69.7 Å²	69.7	23%	0.231	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-40.5	176.1	-66.8	169.8	0	0	0	111.3	I459 K467	I459-I463 HydrophobicContact CG2-CD1 3.76Å; I459-I463 HydrophobicContact CG2-CG1 4.36Å; I459-I463 WeakPolarHBondContact O-CG1 3.37Å; I459-I463 PolarHBondContact O-N 3.45Å; I463-K467 HydrophobicContact CG2-CD 4.31Å; I463-K467 WeakPolarHBondContact O-CB 3.33Å; I463-K467 WeakPolarHBondContact O-CG 3.39Å; I463-K467 PolarHBondContact O-N 3.2Å
464	Q	84.6	Confident	85	Confident	95 Å²	95	69.7 Å²	69.7	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-66.1	-45.3	176.1	-173.5	58.1	49.2	0	0	111.7	V460 M462 D466 K467 D468	V460-Q464 WeakPolarHBondContact O-CB 3.31Å; V460-Q464 PolarHBondContact O-N 3.27Å; M462-Q464 VanDerWaalsContact C-N 3.3Å; M462-Q464 PolarHBondContact O-N 3.39Å; Q464-D466 VanDerWaalsContact C-N 3.34Å; Q464-D466 PolarHBondContact O-N 3.32Å; Q464-K467 CarbonylContact O-C 3.54Å; Q464-K467 WeakPolarHBondContact O-CB 3.43Å; Q464-K467 PolarHBondContact O-N 3.38Å; Q464-D468 PolarHBondContact NE2-OD1 3.14Å; Q464-D468 PolarHBondContact O-N 3.36Å
465	K	85.4	Confident	85	Confident	133 Å²	133	68.9 Å²	68.9	58%	0.578	32%	0.317	S	S	*	.	H	α-helix	trans	-59.4	-44.2	175.7	-177.4	-170.3	174.1	-167.6	0	111.7	R461 M462 K467 D468 L469	R461-K465 WeakPolarHBondContact O-CB 3.33Å; R461-K465 PolarHBondContact O-N 2.95Å; M462-K465 PolarHBondContact O-N 3.03Å; M462-K465 VanDerWaalsContact O-N 3.16Å; K465-K467 VanDerWaalsContact C-N 3.33Å; K465-D468 PolarHBondContact O-N 3.22Å; K465-L469 HydrophobicContact CG-CD1 4.39Å; K465-L469 WeakPolarHBondContact O-CG 3.47Å; K465-L469 PolarHBondContact O-N 3.19Å
466	D	82.5	Confident	85.2	Confident	39 Å²	39	64.1 Å²	64.1	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-37.5	178.1	-68	-23.9	0	0	0	110.6	M462 Q464 E470	M462-D466 WeakPolarHBondContact O-CB 3.37Å; M462-D466 PolarHBondContact O-N 3.37Å; Q464-D466 VanDerWaalsContact C-N 3.34Å; Q464-D466 PolarHBondContact O-N 3.32Å; D466-E470 VanDerWaalsContact O-CB 3.31Å; D466-E470 WeakPolarHBondContact O-CB 3.49Å; D466-E470 PolarHBondContact O-N 2.94Å
467	K	85.6	Confident	85.5	Confident	64 Å²	64	63.9 Å²	63.9	28%	0.278	29%	0.294	S	S	.	.	H	α-helix	trans	-66.6	-37.3	170.7	-76.1	-179	178.9	-172	0	113.5	I463 Q464 K465 E470 R471 T538	I463-K467 HydrophobicContact CG2-CD 4.31Å; I463-K467 WeakPolarHBondContact O-CB 3.33Å; I463-K467 WeakPolarHBondContact O-CG 3.39Å; I463-K467 PolarHBondContact O-N 3.2Å; Q464-K467 CarbonylContact O-C 3.54Å; Q464-K467 WeakPolarHBondContact O-CB 3.43Å; Q464-K467 PolarHBondContact O-N 3.38Å; K465-K467 VanDerWaalsContact C-N 3.33Å; K467-E470 PolarHBondContact O-N 3.45Å; K467-R471 PolarHBondContact O-N 2.92Å; K467-T538 WeakPolarHBondContact O-CG2 3.24Å
468	D	88.2	Confident	85.9	Confident	72 Å²	72	58.3 Å²	58.3	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-67.5	-42.2	177.7	-65.2	-31.1	0	0	0	110.8	Q464 K465 R471 E472	Q464-D468 PolarHBondContact NE2-OD1 3.14Å; Q464-D468 PolarHBondContact O-N 3.36Å; K465-D468 PolarHBondContact O-N 3.22Å; D468-R471 PolarHBondContact O-N 2.83Å; D468-E472 PolarHBondContact O-N 3.31Å
469	L	86.6	Confident	86.2	Confident	72 Å²	72	58.6 Å²	58.6	38%	0.377	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-39.3	171.5	-65.7	173.4	0	0	0	111.8	K465 E472 S473 L488	K465-L469 HydrophobicContact CG-CD1 4.39Å; K465-L469 WeakPolarHBondContact O-CG 3.47Å; K465-L469 PolarHBondContact O-N 3.19Å; L469-E472 CarbonylContact O-C 3.51Å; L469-E472 PolarHBondContact O-N 3.13Å; L469-E472 VanDerWaalsContact O-N 3.13Å; L469-S473 PolarHBondContact O-N 2.95Å; L469-S473 VanDerWaalsContact O-N 3.11Å; L469-L488 HydrophobicContact CD2-CD1 4.14Å; L469-L488 WeakPolarHBondContact O-CD2 3.44Å
470	E	87.5	Confident	86.6	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.065	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-41	176.1	-179.2	162.4	-109.4	0	0	112.3	D466 K467 E472 S473 I537 L595 C596 S597	D466-E470 VanDerWaalsContact O-CB 3.31Å; D466-E470 WeakPolarHBondContact O-CB 3.49Å; D466-E470 PolarHBondContact O-N 2.94Å; K467-E470 PolarHBondContact O-N 3.45Å; E470-E472 PolarHBondContact O-N 3.43Å; E470-S473 VanDerWaalsContact O-CB 3.22Å; E470-S473 WeakPolarHBondContact O-CB 3.49Å; E470-S473 PolarHBondContact O-N 2.7Å; E470-S473 PolarHBondContact O-OG 2.94Å; E470-I537 WeakPolarHBondContact O-CD1 3.43Å; E470-L595 HydrophobicContact CG-CD2 4.06Å; E470-L595 WeakPolarHBondContact OE1-CA 3.4Å; E470-C596 WeakPolarHBondContact OE1-CB 3.24Å; E470-C596 PolarHBondContact OE1-N 3.46Å; E470-C596 PolarHBondContact OE2-N 3.04Å; E470-S597 WeakPolarHBondContact OE2-CB 3.29Å; E470-S597 PolarHBondContact OE2-N 3.2Å
471	R	88.4	Confident	86.7	Confident	123 Å²	123	66.8 Å²	66.8	46%	0.464	32%	0.315	S	S	.	.	H	α-helix	trans	-56.4	-34.6	171	-177.3	-172.2	-90.1	-179.4	-6.4	111.7	K467 D468 S473 D536 T538	K467-R471 PolarHBondContact O-N 2.92Å; D468-R471 PolarHBondContact O-N 2.83Å; R471-S473 VanDerWaalsContact C-N 3.35Å; R471-D536 IonicContact CZ-OD1 3.59Å; R471-D536 IonicContact CZ-OD2 3.8Å; R471-D536 IonicContact NE-OD1 3.02Å; R471-D536 PolarHBondContact NE-OD1 3.06Å; R471-D536 IonicContact NE-OD2 2.89Å; R471-D536 VanDerWaalsContact NH2-CG 3.26Å; R471-D536 IonicContact NH2-OD1 3.95Å; R471-D536 PolarHBondContact NH2-OD1 2.92Å; R471-D536 IonicContact NH2-OD2 3.96Å; R471-D536 PolarHBondContact NH2-OD2 3.3Å; R471-T538 HydrophobicContact CB-CG2 3.75Å
472	E	87.1	Confident	86.6	Confident	126 Å²	126	60.5 Å²	60.5	59%	0.589	30%	0.299	S	S	*	.	H	α-helix	trans	-83	-7	177.5	-72.5	-165.6	-168.1	0	0	115	D468 L469 E470 L488 K501	D468-E472 PolarHBondContact O-N 3.31Å; L469-E472 CarbonylContact O-C 3.51Å; L469-E472 PolarHBondContact O-N 3.13Å; L469-E472 VanDerWaalsContact O-N 3.13Å; E470-E472 PolarHBondContact O-N 3.43Å; E472-L488 HydrophobicContact CB-CD2 4.12Å; E472-K501 VanDerWaalsContact C-NZ 3.34Å; E472-K501 WeakPolarHBondContact O-CE 3.36Å; E472-K501 PolarHBondContact O-NZ 3.39Å
473	S	89	Confident	87.1	Confident	7 Å²	7	58.6 Å²	58.6	5%	0.049	29%	0.29	C	S	.	.			trans	-67.5	168.5	178.2	75.8	0	0	0	0	113.9	L469 E470 R471 Q486 T487 K501	L469-S473 PolarHBondContact O-N 2.95Å; L469-S473 VanDerWaalsContact O-N 3.11Å; E470-S473 VanDerWaalsContact O-CB 3.22Å; E470-S473 WeakPolarHBondContact O-CB 3.49Å; E470-S473 PolarHBondContact O-N 2.7Å; E470-S473 PolarHBondContact O-OG 2.94Å; R471-S473 VanDerWaalsContact C-N 3.35Å; S473-Q486 WeakPolarHBondContact OG-CG 3.39Å; S473-Q486 PolarHBondContact OG-NE2 2.89Å; S473-T487 CarbonylContact C-O 3.56Å; S473-T487 VanDerWaalsContact CA-O 3.28Å; S473-T487 WeakPolarHBondContact CA-O 3.49Å; S473-T487 WeakPolarHBondContact CB-O 3.1Å; S473-K501 WeakPolarHBondContact O-CD 3.4Å
474	G	90	Very high	87.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	172.7	170	0	0	0	0	0	110.8	C476 T487	G474-C476 PolarHBondContact O-N 3.06Å; G474-T487 PolarHBondContact N-O 3.17Å; G474-T487 PolarHBondContact O-N 3.03Å; G474-T487 VanDerWaalsContact O-O 3.11Å
475	C	90.8	Very high	87.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	110.8	179.7	-170.8	0	0	0	0	110.9	T500 C515 H556	C475-T500 PolarHBondContact N-O 3.47Å; C475-T500 PolarHBondContact O-N 3.47Å; C475-C515 WeakPolarHBondContact CA-SG 3.35Å; C475-C515 HydrophobicContact CB-CB 4.06Å; C475-C515 WeakPolarHBondContact CB-SG 3.32Å; C475-C515 WeakPolarHBondContact SG-CA 3.46Å; C475-C515 WeakPolarHBondContact SG-CB 3.38Å; C475-C515 CovalentContact SG-SG 2.04Å; C475-C515 PolarHBondContact SG-SG 3.38Å; C475-H556 HydrophobicContact CB-CB 3.85Å
476	C	90.3	Very high	87.9	Confident	6 Å²	6	46.1 Å²	46.1	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.9	173	-176	0	0	0	0	109.3	G474 C484 V485 T487 C492 A497 F499	G474-C476 PolarHBondContact O-N 3.06Å; C476-C484 CarbonylContact O-C 3.55Å; C476-C484 WeakPolarHBondContact O-CA 3.3Å; C476-C484 WeakPolarHBondContact O-CB 3.37Å; C476-V485 HydrophobicContact CB-CG1 4.14Å; C476-V485 WeakPolarHBondContact CB-O 3.32Å; C476-V485 PolarHBondContact N-O 2.65Å; C476-V485 PolarHBondContact O-N 3.08Å; C476-T487 HydrophobicContact CB-CG2 3.57Å; C476-C492 HydrophobicContact CB-CB 3.75Å; C476-C492 WeakPolarHBondContact CB-SG 3.42Å; C476-C492 WeakPolarHBondContact SG-CA 3.43Å; C476-C492 WeakPolarHBondContact SG-CB 3.44Å; C476-C492 CovalentContact SG-SG 2.04Å; C476-C492 PolarHBondContact SG-SG 3.34Å; C476-A497 VanDerWaalsContact SG-CB 3.55Å; C476-F499 HydrophobicContact CB-CD2 4.47Å
477	I	91.3	Very high	88.2	Confident	16 Å²	16	45.1 Å²	45.1	8%	0.082	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.2	-171.3	-54.8	160.6	0	0	0	108.8	C484 A497 T498 T500 K555 H556 C559	I477-C484 HydrophobicContact CB-CB 4.24Å; I477-C484 HydrophobicContact CG1-CB 3.92Å; I477-C484 HydrophobicContact CG2-CB 4.36Å; I477-A497 CarbonylContact O-C 3.57Å; I477-A497 WeakPolarHBondContact O-CA 3.44Å; I477-A497 WeakPolarHBondContact O-CB 3.22Å; I477-T498 PolarHBondContact N-O 3.29Å; I477-T498 PolarHBondContact O-N 3.28Å; I477-T500 WeakPolarHBondContact CD1-OG1 3.38Å; I477-K555 HydrophobicContact CD1-CB 3.76Å; I477-K555 WeakPolarHBondContact CD1-O 3.46Å; I477-H556 HydrophobicContact CD1-CB 4.32Å; I477-C559 HydrophobicContact CG2-CB 4.12Å
478	Q	89.4	Confident	88.3	Confident	33 Å²	33	44.2 Å²	44.2	15%	0.154	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.7	-175.8	-58	-170.1	2.5	0	0	110.9	D480 N481 S482 G483 A497	Q478-D480 WeakPolarHBondContact CB-OD1 2.99Å; Q478-D480 PolarHBondContact O-N 2.83Å; Q478-D480 VanDerWaalsContact O-N 3.15Å; Q478-N481 PolarHBondContact O-N 3.13Å; Q478-N481 VanDerWaalsContact O-N 3.15Å; Q478-S482 PolarHBondContact OE1-OG 3.39Å; Q478-G483 WeakPolarHBondContact CB-O 3.4Å; Q478-G483 WeakPolarHBondContact CG-O 3.44Å; Q478-G483 PolarHBondContact N-O 2.6Å; Q478-A497 HydrophobicContact CG-CB 4.38Å
479	N	88.4	Confident	88.3	Confident	87 Å²	87	48.4 Å²	48.4	47%	0.465	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.1	-168.1	-65.1	-24.1	0	0	0	113.2	T495 L496 A497 T498	N479-T495 PolarHBondContact ND2-O 3.37Å; N479-L496 WeakPolarHBondContact CB-O 3.39Å; N479-L496 PolarHBondContact N-O 3.36Å; N479-A497 PolarHBondContact ND2-N 3.06Å; N479-T498 PolarHBondContact OD1-N 3Å; N479-T498 PolarHBondContact OD1-OG1 2.96Å
480	D	88.1	Confident	88.4	Confident	107 Å²	107	49.8 Å²	49.8	57%	0.572	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	4.8	175.9	69	-15.5	0	0	0	113.5	Q478 S482	Q478-D480 WeakPolarHBondContact CB-OD1 2.99Å; Q478-D480 PolarHBondContact O-N 2.83Å; Q478-D480 VanDerWaalsContact O-N 3.15Å; D480-S482 PolarHBondContact O-N 2.96Å; D480-S482 VanDerWaalsContact OD1-CB 3.22Å; D480-S482 WeakPolarHBondContact OD1-CB 3.34Å; D480-S482 PolarHBondContact OD1-N 2.89Å; D480-S482 PolarHBondContact OD1-OG 3.33Å; D480-S482 VanDerWaalsContact OD2-CB 3.24Å; D480-S482 WeakPolarHBondContact OD2-CB 3.3Å; D480-S482 PolarHBondContact OD2-OG 3.38Å
481	N	83.5	Confident	88.3	Confident	143 Å²	143	52 Å²	52	77%	0.765	27%	0.271	S	S	*	.	S	Bend	trans	59.6	13.8	-171.6	-57.4	-43.6	0	0	0	114.9	Q478 G483	Q478-N481 PolarHBondContact O-N 3.13Å; Q478-N481 VanDerWaalsContact O-N 3.15Å; N481-G483 PolarHBondContact O-N 3.23Å
482	S	83.8	Confident	88.3	Confident	47 Å²	47	46.7 Å²	46.7	33%	0.329	25%	0.252	S	S	.	.	S	Bend	trans	-70	-17.7	178.4	67.3	0	0	0	0	113	Q478 D480 K562	Q478-S482 PolarHBondContact OE1-OG 3.39Å; D480-S482 PolarHBondContact O-N 2.96Å; D480-S482 VanDerWaalsContact OD1-CB 3.22Å; D480-S482 WeakPolarHBondContact OD1-CB 3.34Å; D480-S482 PolarHBondContact OD1-N 2.89Å; D480-S482 PolarHBondContact OD1-OG 3.33Å; D480-S482 VanDerWaalsContact OD2-CB 3.24Å; D480-S482 WeakPolarHBondContact OD2-CB 3.3Å; D480-S482 PolarHBondContact OD2-OG 3.38Å; S482-K562 WeakPolarHBondContact O-CE 3.23Å; S482-K562 WeakPolarHBondContact OG-CE 3.2Å; S482-K562 PolarHBondContact OG-NZ 3.43Å
483	G	88.1	Confident	88.3	Confident	1 Å²	1	43 Å²	43	1%	0.01	24%	0.24	C	C	.	.			trans	148.3	-169.3	165.7	0	0	0	0	0	114.8	Q478 N481 T560	Q478-G483 WeakPolarHBondContact CB-O 3.4Å; Q478-G483 WeakPolarHBondContact CG-O 3.44Å; Q478-G483 PolarHBondContact N-O 2.6Å; N481-G483 PolarHBondContact O-N 3.23Å; G483-T560 CarbonylContact C-O 3.48Å; G483-T560 WeakPolarHBondContact CA-O 3.17Å; G483-T560 WeakPolarHBondContact CA-OG1 3.34Å
484	C	89.1	Confident	88.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	160.5	-176.7	58.8	0	0	0	0	112.8	C476 I477 C559 T560 I561 K562	C476-C484 CarbonylContact O-C 3.55Å; C476-C484 WeakPolarHBondContact O-CA 3.3Å; C476-C484 WeakPolarHBondContact O-CB 3.37Å; I477-C484 HydrophobicContact CB-CB 4.24Å; I477-C484 HydrophobicContact CG1-CB 3.92Å; I477-C484 HydrophobicContact CG2-CB 4.36Å; C484-C559 HydrophobicContact CB-CB 3.64Å; C484-C559 WeakPolarHBondContact CB-SG 3.34Å; C484-C559 WeakPolarHBondContact SG-CB 3.45Å; C484-C559 CovalentContact SG-SG 2.03Å; C484-C559 PolarHBondContact SG-SG 2.94Å; C484-T560 PolarHBondContact N-O 3.26Å; C484-I561 WeakPolarHBondContact O-CA 3.49Å; C484-K562 PolarHBondContact O-N 2.9Å
485	V	89	Confident	88	Confident	3 Å²	3	56 Å²	56	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	141.1	-178.4	69.3	0	0	0	0	111.2	N418 C476 T487 C515	N418-V485 HydrophobicContact CB-CG2 3.85Å; N418-V485 WeakPolarHBondContact O-CG1 3.39Å; C476-V485 HydrophobicContact CB-CG1 4.14Å; C476-V485 WeakPolarHBondContact CB-O 3.32Å; C476-V485 PolarHBondContact N-O 2.65Å; C476-V485 PolarHBondContact O-N 3.08Å; V485-T487 HydrophobicContact CG1-CG2 4.14Å; V485-C515 PolarHBondContact O-SG 3.31Å
486	Q	89.3	Confident	87.9	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.037	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.4	173	-165	70.8	11.1	0	0	108.9	S473 A513 I576 L595	S473-Q486 WeakPolarHBondContact OG-CG 3.39Å; S473-Q486 PolarHBondContact OG-NE2 2.89Å; Q486-A513 PolarHBondContact NE2-O 3.49Å; Q486-I576 HydrophobicContact CB-CD1 3.84Å; Q486-I576 HydrophobicContact CG-CD1 4.02Å; Q486-L595 HydrophobicContact CG-CD2 4.01Å
487	T	88.2	Confident	87.9	Confident	18 Å²	18	62 Å²	62	11%	0.11	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	175.3	-175.1	-165.7	0	0	0	0	112.2	S473 G474 C476 V485 D491 C492	S473-T487 CarbonylContact C-O 3.56Å; S473-T487 VanDerWaalsContact CA-O 3.28Å; S473-T487 WeakPolarHBondContact CA-O 3.49Å; S473-T487 WeakPolarHBondContact CB-O 3.1Å; G474-T487 PolarHBondContact N-O 3.17Å; G474-T487 PolarHBondContact O-N 3.03Å; G474-T487 VanDerWaalsContact O-O 3.11Å; C476-T487 HydrophobicContact CB-CG2 3.57Å; V485-T487 HydrophobicContact CG1-CG2 4.14Å; T487-D491 HydrophobicContact CG2-CB 4.48Å; T487-D491 WeakPolarHBondContact OG1-CB 3.35Å; T487-C492 HydrophobicContact CG2-CB 4.32Å
488	L	88.8	Confident	87.8	Confident	46 Å²	46	64 Å²	64	24%	0.241	35%	0.353	C	S	.	.			trans	-76.8	154.8	175.4	-66.9	170.2	0	0	0	110.9	L469 E472 A490 D491 C492	L469-L488 HydrophobicContact CD2-CD1 4.14Å; L469-L488 WeakPolarHBondContact O-CD2 3.44Å; E472-L488 HydrophobicContact CB-CD2 4.12Å; L488-A490 PolarHBondContact O-N 3.07Å; L488-D491 PolarHBondContact O-N 3.37Å; L488-C492 PolarHBondContact O-N 3.15Å
489	R	87.4	Confident	87.8	Confident	160 Å²	160	64.4 Å²	64.4	60%	0.604	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-57.1	-38.2	178.6	-173.2	175.9	176.1	119.5	6.2	112.6	D491 C492 F499	R489-D491 VanDerWaalsContact C-N 3.27Å; R489-D491 PolarHBondContact O-N 2.74Å; R489-C492 PolarHBondContact O-N 3.46Å; R489-F499 HydrophobicContact CB-CD1 4.03Å; R489-F499 HydrophobicContact CB-CD2 4.49Å; R489-F499 HydrophobicContact CB-CE1 3.69Å; R489-F499 HydrophobicContact CB-CE2 4.2Å; R489-F499 HydrophobicContact CB-CG 4.41Å; R489-F499 HydrophobicContact CB-CZ 3.79Å; R489-F499 HydrophobicContact CG-CD1 3.79Å; R489-F499 HydrophobicContact CG-CE1 3.95Å; R489-F499 HydrophobicContact CG-CG 4.15Å; R489-F499 HydrophobicContact CG-CZ 4.46Å
490	A	88.3	Confident	87.8	Confident	101 Å²	101	62 Å²	62	84%	0.835	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-70.4	-19.4	179.9	0	0	0	0	0	114.1	L488	L488-A490 PolarHBondContact O-N 3.07Å
491	D	86.1	Confident	87.5	Confident	61 Å²	61	60.7 Å²	60.7	33%	0.326	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-94.7	-7.9	177.7	-71.8	-56.7	0	0	0	112.8	K419 T487 L488 R489	K419-D491 WeakPolarHBondContact CE-OD1 3.44Å; K419-D491 IonicContact NZ-OD1 2.64Å; K419-D491 PolarHBondContact NZ-OD1 3.21Å; T487-D491 HydrophobicContact CG2-CB 4.48Å; T487-D491 WeakPolarHBondContact OG1-CB 3.35Å; L488-D491 PolarHBondContact O-N 3.37Å; R489-D491 VanDerWaalsContact C-N 3.27Å; R489-D491 PolarHBondContact O-N 2.74Å
492	C	87.9	Confident	86.8	Confident	10 Å²	10	57.5 Å²	57.5	7%	0.068	31%	0.31	C	S	.	.	S	Bend	trans	-90.1	131.2	176.5	-169.2	0	0	0	0	111	C476 T487 L488 R489 E494 F499	C476-C492 HydrophobicContact CB-CB 3.75Å; C476-C492 WeakPolarHBondContact CB-SG 3.42Å; C476-C492 WeakPolarHBondContact SG-CA 3.43Å; C476-C492 WeakPolarHBondContact SG-CB 3.44Å; C476-C492 CovalentContact SG-SG 2.04Å; C476-C492 PolarHBondContact SG-SG 3.34Å; T487-C492 HydrophobicContact CG2-CB 4.32Å; L488-C492 PolarHBondContact O-N 3.15Å; R489-C492 PolarHBondContact O-N 3.46Å; C492-E494 PolarHBondContact O-N 2.95Å; C492-F499 HydrophobicContact CB-CB 4.31Å; C492-F499 HydrophobicContact CB-CD2 3.87Å; C492-F499 HydrophobicContact CB-CG 4.47Å
493	S	88.1	Confident	85.6	Confident	48 Å²	48	60.8 Å²	60.8	34%	0.336	32%	0.324	S	S	.	.			trans	-70.6	118.3	179	177.3	0	0	0	0	111.6	T495 L496 A497	S493-T495 PolarHBondContact O-N 3.35Å; S493-T495 PolarHBondContact OG-OG1 3.37Å; S493-L496 PolarHBondContact OG-N 2.91Å; S493-A497 WeakPolarHBondContact O-CA 3.44Å; S493-A497 WeakPolarHBondContact O-CB 3.11Å; S493-A497 PolarHBondContact O-N 2.88Å
494	E	86.5	Confident	83.9	Confident	165 Å²	165	68.2 Å²	68.2	77%	0.771	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.2	179.4	-58.1	-163.3	131	0	0	114.2	C492	C492-E494 PolarHBondContact O-N 2.95Å
495	T	86.6	Confident	82	Confident	117 Å²	117	75.8 Å²	75.8	72%	0.718	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-36.1	-179	52.8	0	0	0	0	113.2	N479 S493	N479-T495 PolarHBondContact ND2-O 3.37Å; S493-T495 PolarHBondContact O-N 3.35Å; S493-T495 PolarHBondContact OG-OG1 3.37Å
496	L	88.1	Confident	80.1	Confident	123 Å²	123	79.7 Å²	79.7	64%	0.644	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-10	-175.8	-57.8	179.1	0	0	0	113.7	N479 S493	N479-L496 WeakPolarHBondContact CB-O 3.39Å; N479-L496 PolarHBondContact N-O 3.36Å; S493-L496 PolarHBondContact OG-N 2.91Å
497	A	90.2	Very high	78.1	Confident	9 Å²	9	87.1 Å²	87.1	7%	0.074	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.2	-178.8	0	0	0	0	0	113.2	C476 I477 Q478 N479 S493	C476-A497 VanDerWaalsContact SG-CB 3.55Å; I477-A497 CarbonylContact O-C 3.57Å; I477-A497 WeakPolarHBondContact O-CA 3.44Å; I477-A497 WeakPolarHBondContact O-CB 3.22Å; Q478-A497 HydrophobicContact CG-CB 4.38Å; N479-A497 PolarHBondContact ND2-N 3.06Å; S493-A497 WeakPolarHBondContact O-CA 3.44Å; S493-A497 WeakPolarHBondContact O-CB 3.11Å; S493-A497 PolarHBondContact O-N 2.88Å
498	T	89.8	Confident	76.2	Confident	56 Å²	56	90.8 Å²	90.8	34%	0.344	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.7	171.2	-60.3	0	0	0	0	108.7	I477 N479 T500	I477-T498 PolarHBondContact N-O 3.29Å; I477-T498 PolarHBondContact O-N 3.28Å; N479-T498 PolarHBondContact OD1-N 3Å; N479-T498 PolarHBondContact OD1-OG1 2.96Å; T498-T500 PolarHBondContact O-N 3.01Å
499	F	89.6	Confident	74.6	Confident	43 Å²	43	97 Å²	97	19%	0.189	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.2	175.2	-176	-104.4	0	0	0	111.1	C476 R489 C492 K501	C476-F499 HydrophobicContact CB-CD2 4.47Å; R489-F499 HydrophobicContact CB-CD1 4.03Å; R489-F499 HydrophobicContact CB-CD2 4.49Å; R489-F499 HydrophobicContact CB-CE1 3.69Å; R489-F499 HydrophobicContact CB-CE2 4.2Å; R489-F499 HydrophobicContact CB-CG 4.41Å; R489-F499 HydrophobicContact CB-CZ 3.79Å; R489-F499 HydrophobicContact CG-CD1 3.79Å; R489-F499 HydrophobicContact CG-CE1 3.95Å; R489-F499 HydrophobicContact CG-CG 4.15Å; R489-F499 HydrophobicContact CG-CZ 4.46Å; C492-F499 HydrophobicContact CB-CB 4.31Å; C492-F499 HydrophobicContact CB-CD2 3.87Å; C492-F499 HydrophobicContact CB-CG 4.47Å; F499-K501 HydrophobicContact CD1-CB 4.25Å; F499-K501 HydrophobicContact CE1-CB 3.46Å; F499-K501 VanDerWaalsContact CE1-CB 3.46Å; F499-K501 HydrophobicContact CE1-CD 4.09Å; F499-K501 HydrophobicContact CE1-CG 4.41Å; F499-K501 HydrophobicContact CZ-CB 3.85Å; F499-K501 HydrophobicContact CZ-CD 4.13Å
500	T	87.1	Confident	73.1	Confident	36 Å²	36	92 Å²	92	22%	0.221	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	107.4	-180	-53.6	0	0	0	0	110.3	C475 I477 T498 A513	C475-T500 PolarHBondContact N-O 3.47Å; C475-T500 PolarHBondContact O-N 3.47Å; I477-T500 WeakPolarHBondContact CD1-OG1 3.38Å; T498-T500 PolarHBondContact O-N 3.01Å; T500-A513 HydrophobicContact CG2-CB 3.97Å; T500-A513 WeakPolarHBondContact O-CB 3.26Å
501	K	82.8	Confident	71.5	Confident	80 Å²	80	87.7 Å²	87.7	35%	0.348	47%	0.467	S	S	.	.			trans	-140.6	126.1	169.9	-173.6	-177.5	179.9	-173.6	0	107.8	E472 S473 F499	E472-K501 VanDerWaalsContact C-NZ 3.34Å; E472-K501 WeakPolarHBondContact O-CE 3.36Å; E472-K501 PolarHBondContact O-NZ 3.39Å; S473-K501 WeakPolarHBondContact O-CD 3.4Å; F499-K501 HydrophobicContact CD1-CB 4.25Å; F499-K501 HydrophobicContact CE1-CB 3.46Å; F499-K501 VanDerWaalsContact CE1-CB 3.46Å; F499-K501 HydrophobicContact CE1-CD 4.09Å; F499-K501 HydrophobicContact CE1-CG 4.41Å; F499-K501 HydrophobicContact CZ-CB 3.85Å; F499-K501 HydrophobicContact CZ-CD 4.13Å
502	R	69.1	Low	70.7	Confident	75 Å²	75	85.7 Å²	85.7	28%	0.283	46%	0.46	S	S	.	.			trans	-78.9	133.4	-179.3	-176.7	150.8	70.1	128.2	-19.3	110.9	D508 R509 S511	R502-D508 PolarHBondContact NH1-O 2.79Å; R502-R509 PolarHBondContact NH1-O 3.38Å; R502-R509 PolarHBondContact NH2-O 3.34Å; R502-S511 PolarHBondContact NE-O 3.15Å; R502-S511 PolarHBondContact NH2-O 3Å; R502-S511 PolarHBondContact NH2-OG 3.42Å
503	N	57.1	Low	70.3	Confident	116 Å²	116	85.5 Å²	85.5	62%	0.62	46%	0.459	S	S	*	.			trans	-109.9	169.1	169.4	-92.3	11.4	0	0	0	110.6	D505	N503-D505 VanDerWaalsContact C-N 3.3Å; N503-D505 PolarHBondContact O-N 3.48Å; N503-D505 VanDerWaalsContact O-N 3.14Å
504	N	52.6	Low	70.4	Confident	157 Å²	157	83.2 Å²	83.2	84%	0.84	44%	0.443	S	S	*	.	S	Bend	trans	-76.4	4.7	-161.4	-62.9	0.6	0	0	0	116.6	T506	N504-T506 PolarHBondContact O-N 3.18Å
505	D	49.9	Very low	70.5	Confident	160 Å²	160	75.6 Å²	75.6	86%	0.856	41%	0.408	S	S	*	.			trans	-72.8	14	-173.1	-71.8	-42.6	0	0	0	115.5	N503	N503-D505 VanDerWaalsContact C-N 3.3Å; N503-D505 PolarHBondContact O-N 3.48Å; N503-D505 VanDerWaalsContact O-N 3.14Å
506	T	48.3	Very low	70.6	Confident	85 Å²	85	73.8 Å²	73.8	52%	0.521	39%	0.392	S	S	.	.	S	Bend	trans	-133	127.3	177.5	48	0	0	0	0	111.1	N504 D508	N504-T506 PolarHBondContact O-N 3.18Å; T506-D508 PolarHBondContact O-N 3.3Å
507	T	48	Very low	70.5	Confident	164 Å²	164	68.1 Å²	68.1	100%	1.006	36%	0.362	S	S	*	.	S	Bend	trans	-74.8	18.2	-174.8	42.4	0	0	0	0	114.9
508	D	48.8	Very low	70.4	Confident	95 Å²	95	68.1 Å²	68.1	51%	0.508	36%	0.36	S	S	.	.	S	Bend	trans	-122	142	-179.2	-178.5	40.2	0	0	0	112.8	R502 T506 R520	R502-D508 PolarHBondContact NH1-O 2.79Å; T506-D508 PolarHBondContact O-N 3.3Å; D508-R520 IonicContact OD2-CZ 3.73Å; D508-R520 IonicContact OD2-NH2 2.72Å; D508-R520 PolarHBondContact OD2-NH2 3.12Å
509	R	55.1	Low	70.3	Confident	175 Å²	175	66.1 Å²	66.1	66%	0.66	35%	0.349	S	S	*	.			trans	-56.3	142.8	-144.9	-64.8	169.7	84.4	161.8	4.5	114.5	R502 S511 R520	R502-R509 PolarHBondContact NH1-O 3.38Å; R502-R509 PolarHBondContact NH2-O 3.34Å; R509-S511 PolarHBondContact O-N 2.92Å; R509-R520 PolarHBondContact O-NH2 2.95Å
510	S	55.1	Low	70	Confident	55 Å²	55	70.5 Å²	70.5	39%	0.385	36%	0.364	S	S	.	.			trans	-92.6	82.5	-150.4	22.7	0	0	0	0	114.3	E535	S510-E535 VanDerWaalsContact CB-OE1 3.25Å; S510-E535 WeakPolarHBondContact CB-OE1 3.46Å; S510-E535 PolarHBondContact OG-OE1 3.19Å
511	S	55.1	Low	70	Confident	12 Å²	12	69.9 Å²	69.9	8%	0.084	36%	0.359	C	S	.	.			trans	-91.2	134.4	160	56.7	0	0	0	0	111.2	R502 R509	R502-S511 PolarHBondContact NE-O 3.15Å; R502-S511 PolarHBondContact NH2-O 3Å; R502-S511 PolarHBondContact NH2-OG 3.42Å; R509-S511 PolarHBondContact O-N 2.92Å
512	G	68.6	Low	70.2	Confident	18 Å²	18	66.5 Å²	66.5	19%	0.186	35%	0.345	C	S	.	.			trans	-65.8	-179.6	163	0	0	0	0	0	112.1	W540	G512-W540 WeakPolarHBondContact O-CH2 3.47Å
513	A	80.1	Confident	71.2	Confident	6 Å²	6	68 Å²	68	5%	0.05	36%	0.356	C	S	.	.			trans	-112.2	109.2	175.7	0	0	0	0	0	110	Q486 T500	Q486-A513 PolarHBondContact NE2-O 3.49Å; T500-A513 HydrophobicContact CG2-CB 3.97Å; T500-A513 WeakPolarHBondContact O-CB 3.26Å
514	V	89.3	Confident	72.7	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-111.2	135.2	175	-179.8	0	0	0	0	107.9	H516 Q517 I537 W540 H556 T594 L595	V514-H516 PolarHBondContact O-N 2.94Å; V514-H516 VanDerWaalsContact O-N 3.16Å; V514-Q517 HydrophobicContact CB-CB 4.36Å; V514-Q517 HydrophobicContact CG1-CB 4.21Å; V514-Q517 PolarHBondContact O-N 3.35Å; V514-Q517 VanDerWaalsContact O-O 3.13Å; V514-I537 HydrophobicContact CG2-CB 4.16Å; V514-I537 HydrophobicContact CG2-CD1 4.3Å; V514-I537 HydrophobicContact CG2-CG2 4.1Å; V514-W540 HydrophobicContact CB-CE3 4.39Å; V514-W540 HydrophobicContact CB-CZ3 3.95Å; V514-W540 HydrophobicContact CG2-CE3 3.79Å; V514-W540 HydrophobicContact CG2-CH2 4.24Å; V514-W540 HydrophobicContact CG2-CZ3 3.52Å; V514-H556 PolarHBondContact O-CD2 3.37Å; V514-T594 WeakPolarHBondContact CG1-OG1 3.4Å; V514-L595 HydrophobicContact CG1-CD2 3.84Å; V514-L595 HydrophobicContact CG1-CG 4Å; V514-L595 HydrophobicContact CG2-CD1 4.13Å; V514-L595 HydrophobicContact CG2-CD2 4.22Å; V514-L595 HydrophobicContact CG2-CG 4.44Å
515	C	89.4	Confident	74.6	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.034	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	124.3	177.8	-66.5	0	0	0	0	111	C475 V485 Q517	C475-C515 WeakPolarHBondContact CA-SG 3.35Å; C475-C515 HydrophobicContact CB-CB 4.06Å; C475-C515 WeakPolarHBondContact CB-SG 3.32Å; C475-C515 WeakPolarHBondContact SG-CA 3.46Å; C475-C515 WeakPolarHBondContact SG-CB 3.38Å; C475-C515 CovalentContact SG-SG 2.04Å; C475-C515 PolarHBondContact SG-SG 3.38Å; V485-C515 PolarHBondContact O-SG 3.31Å; C515-Q517 PolarHBondContact O-N 2.94Å
516	H	88	Confident	76.4	Confident	80 Å²	80	57.5 Å²	57.5	37%	0.37	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	16	176.8	-136.6	84	0	0	0	115.5	V514 H556 M557 C559 I561	V514-H516 PolarHBondContact O-N 2.94Å; V514-H516 VanDerWaalsContact O-N 3.16Å; H516-H556 PolarHBondContact N-O 3.29Å; H516-M557 PolarHBondContact CE1-O 3.29Å; H516-M557 PolarHBondContact ND1-O 3.46Å; H516-C559 PolarHBondContact ND1-O 3.39Å; H516-C559 VanDerWaalsContact ND1-O 3.15Å; H516-I561 HydrophobicContact CB-CD1 3.27Å; H516-I561 HydrophobicContact CB-CG1 3.61Å
517	Q	87.7	Confident	78.3	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.019	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-137.3	124.2	171	-179.2	166.9	-6.3	0	0	111.8	V514 C515 W533 W540 P541 C543 M557 T594	V514-Q517 HydrophobicContact CB-CB 4.36Å; V514-Q517 HydrophobicContact CG1-CB 4.21Å; V514-Q517 PolarHBondContact O-N 3.35Å; V514-Q517 VanDerWaalsContact O-O 3.13Å; C515-Q517 PolarHBondContact O-N 2.94Å; Q517-W533 HydrophobicContact CG-CH2 4.1Å; Q517-W533 HydrophobicContact CG-CZ3 3.9Å; Q517-W540 HydrophobicContact CG-CE3 4.14Å; Q517-W540 HydrophobicContact CG-CZ3 4.33Å; Q517-P541 PolarHBondContact NE2-O 3.29Å; Q517-C543 HydrophobicContact CG-CB 4.42Å; Q517-M557 PolarHBondContact N-SD 3.18Å; Q517-T594 HydrophobicContact CB-CG2 4.03Å; Q517-T594 PolarHBondContact OE1-OG1 3.49Å
518	D	87	Confident	80.1	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.043	27%	0.267	C	S	.	.			trans	-138	132.2	173.5	-164.4	-65.5	0	0	0	109.9	R520 L521 C522 L554 H556 M557	D518-R520 PolarHBondContact O-N 3.44Å; D518-R520 VanDerWaalsContact O-N 3.1Å; D518-R520 WeakPolarHBondContact OD1-CB 3.48Å; D518-R520 VanDerWaalsContact OD1-CG 3.26Å; D518-R520 WeakPolarHBondContact OD1-CG 3.41Å; D518-R520 PolarHBondContact OD1-N 2.87Å; D518-L521 HydrophobicContact CB-CD1 4.35Å; D518-L521 PolarHBondContact O-N 2.86Å; D518-C522 PolarHBondContact O-N 3.43Å; D518-L554 HydrophobicContact CB-CD1 4.32Å; D518-H556 IonicContact OD2-CE1 2.7Å; D518-H556 IonicContact OD2-NE2 2.88Å; D518-H556 PolarHBondContact OD2-NE2 3.37Å; D518-M557 HydrophobicContact CB-CG 4.18Å; D518-M557 HydrophobicContact CB-SD 3.69Å; D518-M557 PolarHBondContact N-SD 3.41Å; D518-M557 VanDerWaalsContact N-SD 3.44Å
519	P	87	Confident	81.8	Confident	15 Å²	15	54.8 Å²	54.8	10%	0.097	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.8	-179.1	-18.3	29.3	0	0	0	113.4	L521 S527 W533 W540	P519-L521 VanDerWaalsContact C-N 3.28Å; P519-L521 PolarHBondContact O-N 2.99Å; P519-S527 WeakPolarHBondContact O-CB 3.39Å; P519-W533 HydrophobicContact CB-CB 4.33Å; P519-W533 HydrophobicContact CB-CD2 3.88Å; P519-W533 HydrophobicContact CB-CE3 3.69Å; P519-W533 HydrophobicContact CB-CG 4.23Å; P519-W533 HydrophobicContact CB-CZ3 4.07Å; P519-W533 HydrophobicContact CG-CB 4.45Å; P519-W533 HydrophobicContact CG-CD2 4.16Å; P519-W533 HydrophobicContact CG-CE3 3.51Å; P519-W533 HydrophobicContact CG-CZ3 3.88Å; P519-W540 VanDerWaalsContact CD-CH2 3.43Å; P519-W540 HydrophobicContact CG-CH2 3.65Å; P519-W540 HydrophobicContact CG-CZ2 3.55Å; P519-W540 HydrophobicContact CG-CZ3 4.17Å
520	R	84.1	Confident	83.1	Confident	135 Å²	135	50.8 Å²	50.8	51%	0.509	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.7	178.9	-59.1	168.2	172.4	-146.6	-12.7	113.2	D508 R509 D518	D508-R520 IonicContact OD2-CZ 3.73Å; D508-R520 IonicContact OD2-NH2 2.72Å; D508-R520 PolarHBondContact OD2-NH2 3.12Å; R509-R520 PolarHBondContact O-NH2 2.95Å; D518-R520 PolarHBondContact O-N 3.44Å; D518-R520 VanDerWaalsContact O-N 3.1Å; D518-R520 WeakPolarHBondContact OD1-CB 3.48Å; D518-R520 VanDerWaalsContact OD1-CG 3.26Å; D518-R520 WeakPolarHBondContact OD1-CG 3.41Å; D518-R520 PolarHBondContact OD1-N 2.87Å
521	L	86.1	Confident	84.6	Confident	23 Å²	23	55.3 Å²	55.3	12%	0.12	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	1.1	-172.2	-65.8	171	0	0	0	113.7	D518 P519 R547 F549 T552 L554 M557	D518-L521 HydrophobicContact CB-CD1 4.35Å; D518-L521 PolarHBondContact O-N 2.86Å; P519-L521 VanDerWaalsContact C-N 3.28Å; P519-L521 PolarHBondContact O-N 2.99Å; L521-R547 WeakPolarHBondContact O-CB 3.3Å; L521-R547 PolarHBondContact O-N 2.92Å; L521-F549 HydrophobicContact CD2-CD2 4.49Å; L521-F549 HydrophobicContact CD2-CE2 4.5Å; L521-T552 HydrophobicContact CD1-CG2 3.76Å; L521-L554 HydrophobicContact CD1-CD1 3.85Å; L521-M557 HydrophobicContact CB-CE 4.4Å; L521-M557 HydrophobicContact CD1-CE 4.08Å; L521-M557 HydrophobicContact CD1-CG 3.85Å; L521-M557 HydrophobicContact CD1-SD 4.49Å
522	C	88.2	Confident	86.1	Confident	9 Å²	9	57.5 Å²	57.5	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.9	172.8	-160.7	0	0	0	0	110.9	D518 E524 W533 C543	D518-C522 PolarHBondContact O-N 3.43Å; C522-E524 PolarHBondContact SG-O 3.45Å; C522-W533 HydrophobicContact CB-CH2 3.72Å; C522-W533 HydrophobicContact CB-CZ2 3.62Å; C522-C543 VanDerWaalsContact CA-SG 3.51Å; C522-C543 HydrophobicContact CB-CB 4.08Å; C522-C543 WeakPolarHBondContact CB-SG 3.39Å; C522-C543 WeakPolarHBondContact SG-CA 3.28Å; C522-C543 WeakPolarHBondContact SG-CB 3.5Å; C522-C543 CovalentContact SG-SG 2.03Å; C522-C543 PolarHBondContact SG-SG 2.97Å
523	E	89.8	Confident	87	Confident	107 Å²	107	57.7 Å²	57.7	50%	0.5	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-38.5	175.8	-54.8	-173.2	140.9	0	0	110.5	A526 H545 R547	E523-A526 WeakPolarHBondContact O-CB 3.24Å; E523-A526 PolarHBondContact O-N 3.37Å; E523-A526 VanDerWaalsContact O-N 3.14Å; E523-H545 WeakPolarHBondContact CB-O 3.33Å; E523-H545 PolarHBondContact N-O 3.37Å; E523-R547 HydrophobicContact CG-CB 3.78Å; E523-R547 HydrophobicContact CG-CG 4.26Å; E523-R547 WeakPolarHBondContact OE1-CD 3.4Å; E523-R547 WeakPolarHBondContact OE1-CG 3.39Å; E523-R547 IonicContact OE1-NE 3.13Å
524	E	89.3	Confident	87.3	Confident	114 Å²	114	59.8 Å²	59.8	53%	0.533	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	121	171.9	-62.3	-171.9	-171.7	0	0	111.8	C522 T544 H545	C522-E524 PolarHBondContact SG-O 3.45Å; E524-T544 PolarHBondContact O-N 3.36Å; E524-T544 PolarHBondContact O-OG1 3.07Å; E524-T544 VanDerWaalsContact O-OG1 3.07Å; E524-H545 HydrophobicContact CB-CB 4.08Å; E524-H545 HydrophobicContact CG-CB 4.41Å; E524-H545 PolarHBondContact N-O 3.1Å; E524-H545 PolarHBondContact O-N 2.84Å; E524-H545 IonicContact OE2-CD2 3.32Å; E524-H545 PolarHBondContact OE2-CD2 3Å
525	P	91.3	Very high	87	Confident	56 Å²	56	66.4 Å²	66.4	36%	0.364	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	cis	-80	117.1	-9.7	31.7	-31.9	0	0	0	111.9	S527 W533 P541 I542	P525-S527 PolarHBondContact O-N 3.44Å; P525-W533 HydrophobicContact CG-CZ2 4.34Å; P525-W533 VanDerWaalsContact O-CZ2 3.31Å; P525-W533 WeakPolarHBondContact O-CZ2 3.29Å; P525-W533 PolarHBondContact O-NE1 2.86Å; P525-P541 HydrophobicContact CG-CB 3.77Å; P525-P541 HydrophobicContact CG-CG 3.49Å; P525-P541 VanDerWaalsContact CG-CG 3.49Å; P525-I542 VanDerWaalsContact CD-O 3.28Å; P525-I542 WeakPolarHBondContact CD-O 3.43Å
526	A	87.8	Confident	86.9	Confident	41 Å²	41	67.3 Å²	67.3	34%	0.339	35%	0.348	S	S	.	.			trans	-56.9	133.6	177.8	0	0	0	0	0	113.3	E523 S528	E523-A526 WeakPolarHBondContact O-CB 3.24Å; E523-A526 PolarHBondContact O-N 3.37Å; E523-A526 VanDerWaalsContact O-N 3.14Å; A526-S528 PolarHBondContact O-N 3.26Å
527	S	88.6	Confident	86.9	Confident	35 Å²	35	64 Å²	64	25%	0.245	33%	0.333	C	S	.	.			trans	-79.4	54	177.1	-179.4	0	0	0	0	112.9	P519 P525 W533	P519-S527 WeakPolarHBondContact O-CB 3.39Å; P525-S527 PolarHBondContact O-N 3.44Å; S527-W533 VanDerWaalsContact CB-CD1 3.5Å; S527-W533 PolarHBondContact OG-N 3.27Å
528	S	86.4	Confident	86.9	Confident	71 Å²	71	65 Å²	65	50%	0.497	34%	0.339	S	S	.	.			trans	-106.9	150.1	179.8	52.7	0	0	0	0	112.2	A526 P530 H531 V532	A526-S528 PolarHBondContact O-N 3.26Å; S528-P530 CarbonylContact O-C 3.14Å; S528-H531 CarbonylContact O-C 3.58Å; S528-H531 WeakPolarHBondContact O-CA 3.31Å; S528-H531 PolarHBondContact O-N 3.01Å; S528-V532 PolarHBondContact O-N 3.15Å
529	F	83.7	Confident	87	Confident	181 Å²	181	72.9 Å²	72.9	79%	0.794	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	134	174.8	-179.6	-90.6	0	0	0	111.2	V532	F529-V532 HydrophobicContact CB-CG2 4.34Å
530	P	83.8	Confident	87.1	Confident	91 Å²	91	72.4 Å²	72.4	59%	0.591	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.6	-18.1	7.1	33	-35.6	0	0	0	115.3	S528 V532	S528-P530 CarbonylContact O-C 3.14Å; P530-V532 VanDerWaalsContact C-N 3.29Å; P530-V532 PolarHBondContact O-N 2.81Å; P530-V532 VanDerWaalsContact O-N 3.07Å
531	H	85.4	Confident	87.3	Confident	151 Å²	151	68.3 Å²	68.3	70%	0.699	36%	0.356	S	S	*	.	S	Bend	trans	-86.9	53.1	-174.8	-57.2	-66.3	0	0	0	113.5	S528	S528-H531 CarbonylContact O-C 3.58Å; S528-H531 WeakPolarHBondContact O-CA 3.31Å; S528-H531 PolarHBondContact O-N 3.01Å
532	V	86.4	Confident	87.5	Confident	58 Å²	58	69.6 Å²	69.6	35%	0.352	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-68.5	134.1	173.7	-171.9	0	0	0	0	109.5	S528 F529 P530	S528-V532 PolarHBondContact O-N 3.15Å; F529-V532 HydrophobicContact CB-CG2 4.34Å; P530-V532 VanDerWaalsContact C-N 3.29Å; P530-V532 PolarHBondContact O-N 2.81Å; P530-V532 VanDerWaalsContact O-N 3.07Å
533	W	88.1	Confident	87.5	Confident	22 Å²	22	70.4 Å²	70.4	8%	0.083	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-66.8	144.7	176.6	-63.8	15.8	0	0	0	110.6	Q517 P519 C522 P525 S527 W540 P541 C543	Q517-W533 HydrophobicContact CG-CH2 4.1Å; Q517-W533 HydrophobicContact CG-CZ3 3.9Å; P519-W533 HydrophobicContact CB-CB 4.33Å; P519-W533 HydrophobicContact CB-CD2 3.88Å; P519-W533 HydrophobicContact CB-CE3 3.69Å; P519-W533 HydrophobicContact CB-CG 4.23Å; P519-W533 HydrophobicContact CB-CZ3 4.07Å; P519-W533 HydrophobicContact CG-CB 4.45Å; P519-W533 HydrophobicContact CG-CD2 4.16Å; P519-W533 HydrophobicContact CG-CE3 3.51Å; P519-W533 HydrophobicContact CG-CZ3 3.88Å; C522-W533 HydrophobicContact CB-CH2 3.72Å; C522-W533 HydrophobicContact CB-CZ2 3.62Å; P525-W533 HydrophobicContact CG-CZ2 4.34Å; P525-W533 VanDerWaalsContact O-CZ2 3.31Å; P525-W533 WeakPolarHBondContact O-CZ2 3.29Å; P525-W533 PolarHBondContact O-NE1 2.86Å; S527-W533 VanDerWaalsContact CB-CD1 3.5Å; S527-W533 PolarHBondContact OG-N 3.27Å; W533-W540 HydrophobicContact CE3-CB 4.08Å; W533-W540 AromaticContact CE3-CD2 3.7Å; W533-W540 HydrophobicContact CE3-CD2 3.7Å; W533-W540 AromaticContact CE3-CE3 4Å; W533-W540 HydrophobicContact CE3-CE3 4Å; W533-W540 AromaticContact CE3-CG 3.76Å; W533-W540 HydrophobicContact CE3-CG 3.76Å; W533-W540 HydrophobicContact CZ3-CB 4.42Å; W533-W540 HydrophobicContact CZ3-CD2 4.04Å; W533-W540 AromaticContact CZ3-CE3 3.85Å; W533-W540 HydrophobicContact CZ3-CE3 3.85Å; W533-W540 HydrophobicContact CZ3-CG 4.33Å; W533-W540 HydrophobicContact CZ3-CZ3 4.41Å; W533-P541 HydrophobicContact CD2-CG 3.98Å; W533-P541 HydrophobicContact CG-CG 4.38Å; W533-P541 HydrophobicContact CZ2-CG 3.98Å; W533-C543 HydrophobicContact CH2-CB 4.29Å
534	P	86.6	Confident	87.5	Confident	50 Å²	50	69.3 Å²	69.3	33%	0.325	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-71.9	161	-179.3	29.9	-35.3	0	0	0	112.4	D536 R539 W540	P534-D536 PolarHBondContact O-N 3.26Å; P534-R539 HydrophobicContact CG-CB 3.56Å; P534-W540 PolarHBondContact O-NE1 3.23Å
535	E	82.6	Confident	87.3	Confident	139 Å²	139	68.9 Å²	68.9	65%	0.65	37%	0.366	S	S	*	.	S	Bend	trans	-64.7	-32.2	174.5	-50.4	-174.4	139.2	0	0	112.3	S510 I537	S510-E535 VanDerWaalsContact CB-OE1 3.25Å; S510-E535 WeakPolarHBondContact CB-OE1 3.46Å; S510-E535 PolarHBondContact OG-OE1 3.19Å; E535-I537 PolarHBondContact O-N 3.33Å; E535-I537 VanDerWaalsContact O-N 3.14Å
536	D	86.6	Confident	87	Confident	23 Å²	23	69.4 Å²	69.4	12%	0.123	37%	0.37	C	S	.	.			trans	-71	99.4	178.9	-174	9.7	0	0	0	110.6	R471 P534 T538 R539	R471-D536 IonicContact CZ-OD1 3.59Å; R471-D536 IonicContact CZ-OD2 3.8Å; R471-D536 IonicContact NE-OD1 3.02Å; R471-D536 PolarHBondContact NE-OD1 3.06Å; R471-D536 IonicContact NE-OD2 2.89Å; R471-D536 VanDerWaalsContact NH2-CG 3.26Å; R471-D536 IonicContact NH2-OD1 3.95Å; R471-D536 PolarHBondContact NH2-OD1 2.92Å; R471-D536 IonicContact NH2-OD2 3.96Å; R471-D536 PolarHBondContact NH2-OD2 3.3Å; P534-D536 PolarHBondContact O-N 3.26Å; D536-T538 PolarHBondContact O-N 3.11Å; D536-T538 PolarHBondContact OD1-OG1 2.98Å; D536-T538 PolarHBondContact OD2-OG1 3.39Å; D536-R539 HydrophobicContact CB-CG 4.29Å; D536-R539 WeakPolarHBondContact O-CB 3.38Å; D536-R539 PolarHBondContact O-N 2.86Å; D536-R539 IonicContact OD2-CZ 3.6Å; D536-R539 IonicContact OD2-NE 2.9Å; D536-R539 PolarHBondContact OD2-NE 3.31Å; D536-R539 IonicContact OD2-NH2 3.45Å
537	I	87.4	Confident	86.8	Confident	11 Å²	11	73.5 Å²	73.5	6%	0.056	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-55.5	-28.4	-176.6	63	175.6	0	0	0	113	E470 V514 E535 R539 W540 L595	E470-I537 WeakPolarHBondContact O-CD1 3.43Å; V514-I537 HydrophobicContact CG2-CB 4.16Å; V514-I537 HydrophobicContact CG2-CD1 4.3Å; V514-I537 HydrophobicContact CG2-CG2 4.1Å; E535-I537 PolarHBondContact O-N 3.33Å; E535-I537 VanDerWaalsContact O-N 3.14Å; I537-R539 PolarHBondContact O-N 2.82Å; I537-W540 HydrophobicContact CB-CD2 4.35Å; I537-W540 HydrophobicContact CG2-CD2 4.24Å; I537-W540 HydrophobicContact CG2-CH2 4.16Å; I537-W540 HydrophobicContact CG2-CZ2 3.8Å; I537-W540 WeakPolarHBondContact O-CB 3.35Å; I537-W540 PolarHBondContact O-N 2.85Å; I537-L595 HydrophobicContact CB-CD1 4.12Å; I537-L595 HydrophobicContact CG1-CD1 4.48Å; I537-L595 WeakPolarHBondContact O-CD1 3.41Å
538	T	88.3	Confident	86.1	Confident	24 Å²	24	81.3 Å²	81.3	15%	0.147	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-62.6	-15.3	176.4	67.2	0	0	0	0	113.7	K467 R471 D536 S597	K467-T538 WeakPolarHBondContact O-CG2 3.24Å; R471-T538 HydrophobicContact CB-CG2 3.75Å; D536-T538 PolarHBondContact O-N 3.11Å; D536-T538 PolarHBondContact OD1-OG1 2.98Å; D536-T538 PolarHBondContact OD2-OG1 3.39Å; T538-S597 VanDerWaalsContact C-OG 3.3Å; T538-S597 WeakPolarHBondContact CA-OG 3.26Å; T538-S597 WeakPolarHBondContact O-CB 3.26Å; T538-S597 PolarHBondContact O-OG 2.94Å
539	R	88.6	Confident	85.4	Confident	174 Å²	174	83 Å²	83	66%	0.657	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-107.2	12	179.1	-56.1	-179.9	-170.1	-142.5	-7.5	113	P534 D536 I537	P534-R539 HydrophobicContact CG-CB 3.56Å; D536-R539 HydrophobicContact CB-CG 4.29Å; D536-R539 WeakPolarHBondContact O-CB 3.38Å; D536-R539 PolarHBondContact O-N 2.86Å; D536-R539 IonicContact OD2-CZ 3.6Å; D536-R539 IonicContact OD2-NE 2.9Å; D536-R539 PolarHBondContact OD2-NE 3.31Å; D536-R539 IonicContact OD2-NH2 3.45Å; I537-R539 PolarHBondContact O-N 2.82Å
540	W	89.1	Confident	84.7	Confident	5 Å²	5	82.5 Å²	82.5	2%	0.019	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-75.3	131.4	177.9	-75.1	11.6	0	0	0	111.2	G512 V514 Q517 P519 W533 P534 I537 Q598	G512-W540 WeakPolarHBondContact O-CH2 3.47Å; V514-W540 HydrophobicContact CB-CE3 4.39Å; V514-W540 HydrophobicContact CB-CZ3 3.95Å; V514-W540 HydrophobicContact CG2-CE3 3.79Å; V514-W540 HydrophobicContact CG2-CH2 4.24Å; V514-W540 HydrophobicContact CG2-CZ3 3.52Å; Q517-W540 HydrophobicContact CG-CE3 4.14Å; Q517-W540 HydrophobicContact CG-CZ3 4.33Å; P519-W540 VanDerWaalsContact CD-CH2 3.43Å; P519-W540 HydrophobicContact CG-CH2 3.65Å; P519-W540 HydrophobicContact CG-CZ2 3.55Å; P519-W540 HydrophobicContact CG-CZ3 4.17Å; W533-W540 HydrophobicContact CE3-CB 4.08Å; W533-W540 AromaticContact CE3-CD2 3.7Å; W533-W540 HydrophobicContact CE3-CD2 3.7Å; W533-W540 AromaticContact CE3-CE3 4Å; W533-W540 HydrophobicContact CE3-CE3 4Å; W533-W540 AromaticContact CE3-CG 3.76Å; W533-W540 HydrophobicContact CE3-CG 3.76Å; W533-W540 HydrophobicContact CZ3-CB 4.42Å; W533-W540 HydrophobicContact CZ3-CD2 4.04Å; W533-W540 AromaticContact CZ3-CE3 3.85Å; W533-W540 HydrophobicContact CZ3-CE3 3.85Å; W533-W540 HydrophobicContact CZ3-CG 4.33Å; W533-W540 HydrophobicContact CZ3-CZ3 4.41Å; P534-W540 PolarHBondContact O-NE1 3.23Å; I537-W540 HydrophobicContact CB-CD2 4.35Å; I537-W540 HydrophobicContact CG2-CD2 4.24Å; I537-W540 HydrophobicContact CG2-CH2 4.16Å; I537-W540 HydrophobicContact CG2-CZ2 3.8Å; I537-W540 WeakPolarHBondContact O-CB 3.35Å; I537-W540 PolarHBondContact O-N 2.85Å; W540-Q598 WeakPolarHBondContact O-CG 3.46Å; W540-Q598 PolarHBondContact O-NE2 3.42Å
541	P	89.8	Confident	84.4	Confident	50 Å²	50	84.2 Å²	84.2	33%	0.325	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-65.7	163.6	172.7	31.2	-36.2	0	0	0	110.9	Q517 P525 W533 Q598	Q517-P541 PolarHBondContact NE2-O 3.29Å; P525-P541 HydrophobicContact CG-CB 3.77Å; P525-P541 HydrophobicContact CG-CG 3.49Å; P525-P541 VanDerWaalsContact CG-CG 3.49Å; W533-P541 HydrophobicContact CD2-CG 3.98Å; W533-P541 HydrophobicContact CG-CG 4.38Å; W533-P541 HydrophobicContact CZ2-CG 3.98Å; P541-Q598 PolarHBondContact O-NE2 3.44Å
542	I	89.4	Confident	84	Confident	50 Å²	50	79 Å²	79	26%	0.256	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-67.8	133.8	168.4	-63.4	173.9	0	0	0	108.7	P525 T544 E592 A593 Q598	P525-I542 VanDerWaalsContact CD-O 3.28Å; P525-I542 WeakPolarHBondContact CD-O 3.43Å; I542-T544 PolarHBondContact O-N 2.91Å; I542-E592 HydrophobicContact CD1-CG 4.36Å; I542-E592 VanDerWaalsContact CG2-O 3.3Å; I542-E592 WeakPolarHBondContact CG2-O 3.43Å; I542-A593 HydrophobicContact CD1-CB 4.25Å; I542-A593 HydrophobicContact CG1-CB 4.46Å; I542-Q598 HydrophobicContact CD1-CB 4.26Å; I542-Q598 HydrophobicContact CG1-CB 3.78Å; I542-Q598 HydrophobicContact CG1-CG 4.08Å
543	C	88.7	Confident	83.7	Confident	25 Å²	25	79.5 Å²	79.5	17%	0.169	41%	0.41	C	S	.	.			trans	-84.7	103.7	171.8	-172.9	0	0	0	0	110.2	Q517 C522 W533	Q517-C543 HydrophobicContact CG-CB 4.42Å; C522-C543 VanDerWaalsContact CA-SG 3.51Å; C522-C543 HydrophobicContact CB-CB 4.08Å; C522-C543 WeakPolarHBondContact CB-SG 3.39Å; C522-C543 WeakPolarHBondContact SG-CA 3.28Å; C522-C543 WeakPolarHBondContact SG-CB 3.5Å; C522-C543 CovalentContact SG-SG 2.03Å; C522-C543 PolarHBondContact SG-SG 2.97Å; W533-C543 HydrophobicContact CH2-CB 4.29Å
544	T	88.7	Confident	83.5	Confident	85 Å²	85	81 Å²	81	52%	0.521	42%	0.42	S	S	.	.	S	Bend	trans	-77.7	-35.9	-179.2	53.2	0	0	0	0	111.9	E524 I542	E524-T544 PolarHBondContact O-N 3.36Å; E524-T544 PolarHBondContact O-OG1 3.07Å; E524-T544 VanDerWaalsContact O-OG1 3.07Å; I542-T544 PolarHBondContact O-N 2.91Å
545	H	86.8	Confident	83.3	Confident	105 Å²	105	85.5 Å²	85.5	49%	0.486	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	89.9	179.3	-66.9	-54.2	0	0	0	111.4	E523 E524	E523-H545 WeakPolarHBondContact CB-O 3.33Å; E523-H545 PolarHBondContact N-O 3.37Å; E524-H545 HydrophobicContact CB-CB 4.08Å; E524-H545 HydrophobicContact CG-CB 4.41Å; E524-H545 PolarHBondContact N-O 3.1Å; E524-H545 PolarHBondContact O-N 2.84Å; E524-H545 IonicContact OE2-CD2 3.32Å; E524-H545 PolarHBondContact OE2-CD2 3Å
546	P	84.9	Confident	83.5	Confident	66 Å²	66	79.6 Å²	79.6	43%	0.429	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.8	169.8	30.7	-33.9	0	0	0	111.1	K548	P546-K548 PolarHBondContact O-N 3.06Å
547	R	82.4	Confident	83.5	Confident	127 Å²	127	79.3 Å²	79.3	48%	0.479	40%	0.404	S	S	.	.			trans	-67.4	120.7	-178.6	-171.4	160.4	-178.4	-151.3	0	111.5	L521 E523 F549	L521-R547 WeakPolarHBondContact O-CB 3.3Å; L521-R547 PolarHBondContact O-N 2.92Å; E523-R547 HydrophobicContact CG-CB 3.78Å; E523-R547 HydrophobicContact CG-CG 4.26Å; E523-R547 WeakPolarHBondContact OE1-CD 3.4Å; E523-R547 WeakPolarHBondContact OE1-CG 3.39Å; E523-R547 IonicContact OE1-NE 3.13Å; R547-F549 HydrophobicContact CG-CD2 4.04Å; R547-F549 HydrophobicContact CG-CE2 3.63Å; R547-F549 HydrophobicContact CG-CZ 4.39Å; R547-F549 PolarHBondContact O-N 3.43Å
548	K	73.6	Confident	83.5	Confident	200 Å²	200	81.9 Å²	81.9	87%	0.87	42%	0.418	S	S	*	.			trans	-76.1	108.8	-172.8	-64.8	178.1	-177.8	174.2	0	112.3	P546	P546-K548 PolarHBondContact O-N 3.06Å
549	F	72.7	Confident	83.5	Confident	107 Å²	107	81.4 Å²	81.4	47%	0.469	42%	0.415	S	S	.	.			trans	-130.4	151.7	168.6	-73.2	-69.7	0	0	0	110.6	L521 R547 T552	L521-F549 HydrophobicContact CD2-CD2 4.49Å; L521-F549 HydrophobicContact CD2-CE2 4.5Å; R547-F549 HydrophobicContact CG-CD2 4.04Å; R547-F549 HydrophobicContact CG-CE2 3.63Å; R547-F549 HydrophobicContact CG-CZ 4.39Å; R547-F549 PolarHBondContact O-N 3.43Å; F549-T552 HydrophobicContact CB-CG2 4.24Å
550	N	69.8	Low	83.4	Confident	169 Å²	169	77.2 Å²	77.2	90%	0.904	41%	0.41	S	S	*	.	S	Bend	trans	-78.8	-21.5	178.1	-69.1	0.1	0	0	0	113.4
551	N	76.4	Confident	83.2	Confident	127 Å²	127	78.7 Å²	78.7	68%	0.679	42%	0.418	S	S	*	.			trans	-154.3	133.5	164.7	-87	-37.2	0	0	0	105.9
552	T	78.1	Confident	82.9	Confident	42 Å²	42	79.3 Å²	79.3	26%	0.258	42%	0.415	S	S	.	.			trans	-92.8	-17.2	177.9	64.7	0	0	0	0	112	L521 F549 L554 M557 D558	L521-T552 HydrophobicContact CD1-CG2 3.76Å; F549-T552 HydrophobicContact CB-CG2 4.24Å; T552-L554 PolarHBondContact OG1-N 2.89Å; T552-M557 HydrophobicContact CG2-CB 4.22Å; T552-M557 WeakPolarHBondContact OG1-CB 3.4Å; T552-D558 VanDerWaalsContact CB-OD1 3.32Å; T552-D558 WeakPolarHBondContact CB-OD1 3.3Å; T552-D558 WeakPolarHBondContact CG2-OD1 3.46Å; T552-D558 VanDerWaalsContact N-CG 3.31Å; T552-D558 PolarHBondContact N-OD1 3.12Å; T552-D558 PolarHBondContact N-OD2 2.64Å; T552-D558 VanDerWaalsContact N-OD2 3.09Å; T552-D558 VanDerWaalsContact OG1-CG 3.28Å; T552-D558 PolarHBondContact OG1-OD1 3.13Å; T552-D558 PolarHBondContact OG1-OD2 3.38Å
553	G	79.1	Confident	82.3	Confident	68 Å²	68	77.1 Å²	77.1	70%	0.701	41%	0.405	S	S	*	.	S	Bend	trans	82.5	-2.3	-172.4	0	0	0	0	0	113.2	D558	G553-D558 PolarHBondContact N-OD2 3.05Å
554	L	83	Confident	81.7	Confident	55 Å²	55	79.5 Å²	79.5	29%	0.288	41%	0.41	S	S	.	.			trans	-102.6	110.3	175.3	-62.7	-178.4	0	0	0	108.9	D518 L521 T552 H556 M557 D558	D518-L554 HydrophobicContact CB-CD1 4.32Å; L521-L554 HydrophobicContact CD1-CD1 3.85Å; T552-L554 PolarHBondContact OG1-N 2.89Å; L554-H556 PolarHBondContact O-N 3.39Å; L554-H556 VanDerWaalsContact O-N 3.09Å; L554-M557 HydrophobicContact CB-CB 4.11Å; L554-M557 HydrophobicContact CB-CG 3.84Å; L554-M557 HydrophobicContact CD1-CG 4.18Å; L554-M557 WeakPolarHBondContact O-CA 3.46Å; L554-M557 WeakPolarHBondContact O-CB 3.22Å; L554-M557 PolarHBondContact O-N 3.37Å; L554-D558 PolarHBondContact O-N 2.99Å
555	K	84.4	Confident	80.6	Confident	144 Å²	144	75.5 Å²	75.5	63%	0.626	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.9	-176.7	-65.4	-172.2	175	-173.9	0	113.6	I477 M557	I477-K555 HydrophobicContact CD1-CB 3.76Å; I477-K555 WeakPolarHBondContact CD1-O 3.46Å; K555-M557 VanDerWaalsContact C-N 3.29Å; K555-M557 PolarHBondContact O-N 3.29Å
556	H	86.1	Confident	79.5	Confident	15 Å²	15	70.5 Å²	70.5	7%	0.069	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.9	176.5	61	-84.5	0	0	0	113.8	C475 I477 V514 H516 D518 L554 C559	C475-H556 HydrophobicContact CB-CB 3.85Å; I477-H556 HydrophobicContact CD1-CB 4.32Å; V514-H556 PolarHBondContact O-CD2 3.37Å; H516-H556 PolarHBondContact N-O 3.29Å; D518-H556 IonicContact OD2-CE1 2.7Å; D518-H556 IonicContact OD2-NE2 2.88Å; D518-H556 PolarHBondContact OD2-NE2 3.37Å; L554-H556 PolarHBondContact O-N 3.39Å; L554-H556 VanDerWaalsContact O-N 3.09Å; H556-C559 PolarHBondContact O-SG 2.92Å
557	M	86.1	Confident	78.2	Confident	17 Å²	17	67.7 Å²	67.7	8%	0.084	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-43.4	176.3	-64.9	-62.5	-61.7	0	0	111.8	H516 Q517 D518 L521 T552 L554 K555 C559	H516-M557 PolarHBondContact CE1-O 3.29Å; H516-M557 PolarHBondContact ND1-O 3.46Å; Q517-M557 PolarHBondContact N-SD 3.18Å; D518-M557 HydrophobicContact CB-CG 4.18Å; D518-M557 HydrophobicContact CB-SD 3.69Å; D518-M557 PolarHBondContact N-SD 3.41Å; D518-M557 VanDerWaalsContact N-SD 3.44Å; L521-M557 HydrophobicContact CB-CE 4.4Å; L521-M557 HydrophobicContact CD1-CE 4.08Å; L521-M557 HydrophobicContact CD1-CG 3.85Å; L521-M557 HydrophobicContact CD1-SD 4.49Å; T552-M557 HydrophobicContact CG2-CB 4.22Å; T552-M557 WeakPolarHBondContact OG1-CB 3.4Å; L554-M557 HydrophobicContact CB-CB 4.11Å; L554-M557 HydrophobicContact CB-CG 3.84Å; L554-M557 HydrophobicContact CD1-CG 4.18Å; L554-M557 WeakPolarHBondContact O-CA 3.46Å; L554-M557 WeakPolarHBondContact O-CB 3.22Å; L554-M557 PolarHBondContact O-N 3.37Å; K555-M557 VanDerWaalsContact C-N 3.29Å; K555-M557 PolarHBondContact O-N 3.29Å; M557-C559 PolarHBondContact O-N 3.01Å; M557-C559 VanDerWaalsContact O-N 3.09Å
558	D	87.9	Confident	77.2	Confident	64 Å²	64	62 Å²	62	34%	0.342	32%	0.324	S	S	.	.	S	Bend	trans	-75.1	1.6	-173.3	-60.2	-20.1	0	0	0	113.1	T552 G553 L554	T552-D558 VanDerWaalsContact CB-OD1 3.32Å; T552-D558 WeakPolarHBondContact CB-OD1 3.3Å; T552-D558 WeakPolarHBondContact CG2-OD1 3.46Å; T552-D558 VanDerWaalsContact N-CG 3.31Å; T552-D558 PolarHBondContact N-OD1 3.12Å; T552-D558 PolarHBondContact N-OD2 2.64Å; T552-D558 VanDerWaalsContact N-OD2 3.09Å; T552-D558 VanDerWaalsContact OG1-CG 3.28Å; T552-D558 PolarHBondContact OG1-OD1 3.13Å; T552-D558 PolarHBondContact OG1-OD2 3.38Å; G553-D558 PolarHBondContact N-OD2 3.05Å; L554-D558 PolarHBondContact O-N 2.99Å
559	C	87.3	Confident	76.3	Confident	14 Å²	14	54.1 Å²	54.1	10%	0.095	29%	0.293	C	S	.	.	S	Bend	trans	-96.3	148.1	-178	67.8	0	0	0	0	113.8	I477 C484 H516 H556 M557	I477-C559 HydrophobicContact CG2-CB 4.12Å; C484-C559 HydrophobicContact CB-CB 3.64Å; C484-C559 WeakPolarHBondContact CB-SG 3.34Å; C484-C559 WeakPolarHBondContact SG-CB 3.45Å; C484-C559 CovalentContact SG-SG 2.03Å; C484-C559 PolarHBondContact SG-SG 2.94Å; H516-C559 PolarHBondContact ND1-O 3.39Å; H516-C559 VanDerWaalsContact ND1-O 3.15Å; H556-C559 PolarHBondContact O-SG 2.92Å; M557-C559 PolarHBondContact O-N 3.01Å; M557-C559 VanDerWaalsContact O-N 3.09Å
560	T	87.9	Confident	75.4	Confident	87 Å²	87	50.6 Å²	50.6	53%	0.534	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-79.3	119.4	176.3	43.6	0	0	0	0	111.4	G483 C484 K562	G483-T560 CarbonylContact C-O 3.48Å; G483-T560 WeakPolarHBondContact CA-O 3.17Å; G483-T560 WeakPolarHBondContact CA-OG1 3.34Å; C484-T560 PolarHBondContact N-O 3.26Å; T560-K562 PolarHBondContact O-N 2.85Å
561	I	85.1	Confident	75	Confident	36 Å²	36	46.4 Å²	46.4	19%	0.185	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	121.4	-178.9	-51.8	175.5	0	0	0	111.3	C484 H516 G563 R564	C484-I561 WeakPolarHBondContact O-CA 3.49Å; H516-I561 HydrophobicContact CB-CD1 3.27Å; H516-I561 HydrophobicContact CB-CG1 3.61Å; I561-G563 WeakPolarHBondContact CG2-O 3.48Å; I561-R564 HydrophobicContact CB-CG 4.47Å; I561-R564 HydrophobicContact CD1-CG 4.33Å; I561-R564 HydrophobicContact CG2-CG 3.77Å
562	K	82.1	Confident	74.5	Confident	63 Å²	63	40.5 Å²	40.5	27%	0.274	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-29.4	173.1	-68.2	-167.9	179.1	-174.6	0	113.9	S482 C484 T560	S482-K562 WeakPolarHBondContact O-CE 3.23Å; S482-K562 WeakPolarHBondContact OG-CE 3.2Å; S482-K562 PolarHBondContact OG-NZ 3.43Å; C484-K562 PolarHBondContact O-N 2.9Å; T560-K562 PolarHBondContact O-N 2.85Å
563	G	78	Confident	74.2	Confident	4 Å²	4	42.8 Å²	42.8	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	128.9	179.2	0	0	0	0	0	111.6	I561 T577	I561-G563 WeakPolarHBondContact CG2-O 3.48Å; G563-T577 CarbonylContact C-O 3.46Å; G563-T577 WeakPolarHBondContact CA-O 3.25Å
564	R	74.9	Confident	74.2	Confident	75 Å²	75	40 Å²	40	28%	0.283	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-111.9	157	176	-73.2	-170.6	-170.6	-132.8	-8.3	109.6	I561 T577 F589 E591	I561-R564 HydrophobicContact CB-CG 4.47Å; I561-R564 HydrophobicContact CD1-CG 4.33Å; I561-R564 HydrophobicContact CG2-CG 3.77Å; R564-T577 PolarHBondContact N-O 3.2Å; R564-T577 VanDerWaalsContact N-O 3.16Å; R564-T577 PolarHBondContact O-N 2.95Å; R564-T577 VanDerWaalsContact O-O 3.09Å; R564-F589 HydrophobicContact CB-CE2 4.43Å; R564-F589 HydrophobicContact CB-CZ 3.9Å; R564-E591 WeakPolarHBondContact CD-O 3.49Å; R564-E591 PolarHBondContact NH1-O 3.37Å
565	P	66.2	Low	74.1	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.194	C	C	.	.	S	Bend	trans	-63.5	167.1	167.6	33.4	-43.8	0	0	0	111.6	I576 H590 A593 T594 L595	P565-I576 HydrophobicContact CB-CG1 4.44Å; P565-H590 PolarHBondContact O-N 2.94Å; P565-A593 HydrophobicContact CB-CB 4.49Å; P565-A593 WeakPolarHBondContact CD-O 3.28Å; P565-A593 HydrophobicContact CG-CB 3.51Å; P565-A593 VanDerWaalsContact CG-O 3.32Å; P565-A593 WeakPolarHBondContact CG-O 3.42Å; P565-T594 VanDerWaalsContact CD-C 3.42Å; P565-T594 WeakPolarHBondContact CD-O 3.09Å; P565-T594 VanDerWaalsContact CG-C 3.43Å; P565-L595 WeakPolarHBondContact CB-O 3.31Å; P565-L595 WeakPolarHBondContact CG-O 3.37Å
566	C	63.5	Low	74	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.			cis	-135.3	119.1	-27.4	-156.8	0	0	0	0	105.3	I568 C574 E575 C596 V599	C566-I568 PolarHBondContact O-N 3.1Å; C566-C574 HydrophobicContact CB-CB 4.44Å; C566-C574 VanDerWaalsContact SG-CA 3.53Å; C566-C574 WeakPolarHBondContact SG-CB 3.28Å; C566-C574 PolarHBondContact SG-SG 3.13Å; C566-E575 PolarHBondContact SG-N 2.99Å; C566-C596 HydrophobicContact CB-CB 3.88Å; C566-C596 WeakPolarHBondContact CB-SG 3.5Å; C566-C596 WeakPolarHBondContact SG-CB 3.49Å; C566-C596 CovalentContact SG-SG 2.02Å; C566-C596 PolarHBondContact SG-SG 3.43Å; C566-V599 HydrophobicContact CB-CG2 3.58Å
567	C	57.9	Low	74	Confident	7 Å²	7	33 Å²	33	5%	0.047	17%	0.165	C	C	.	.			trans	-76.5	107.4	-171.7	-166	0	0	0	0	110.7	S569 E575 T577 C582	C567-S569 PolarHBondContact O-N 3.28Å; C567-S569 VanDerWaalsContact O-N 3.09Å; C567-E575 PolarHBondContact N-O 2.9Å; C567-T577 HydrophobicContact CB-CG2 3.47Å; C567-T577 VanDerWaalsContact CB-CG2 3.47Å; C567-C582 VanDerWaalsContact CA-SG 3.52Å; C567-C582 HydrophobicContact CB-CB 3.6Å; C567-C582 WeakPolarHBondContact CB-SG 3.45Å; C567-C582 WeakPolarHBondContact SG-CA 3.44Å; C567-C582 WeakPolarHBondContact SG-CB 3.42Å; C567-C582 CovalentContact SG-SG 2.04Å; C567-C582 PolarHBondContact SG-SG 3.41Å
568	I	60.2	Low	74	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.041	16%	0.163	C	C	.	.			trans	-72.8	103.5	179.3	-67.1	175.9	0	0	0	108.6	C566 G587 D604 V605	C566-I568 PolarHBondContact O-N 3.1Å; I568-G587 WeakPolarHBondContact O-CA 3.44Å; I568-D604 HydrophobicContact CD1-CB 3.78Å; I568-D604 VanDerWaalsContact CD1-OD2 3.24Å; I568-D604 WeakPolarHBondContact CD1-OD2 3.47Å; I568-V605 HydrophobicContact CG2-CG2 3.26Å
569	S	54.9	Low	73.9	Confident	33 Å²	33	35 Å²	35	23%	0.231	17%	0.168	C	C	.	.			trans	-74.8	152.3	167.1	-177.8	0	0	0	0	109.7	C567 K571 G572 R573	C567-S569 PolarHBondContact O-N 3.28Å; C567-S569 VanDerWaalsContact O-N 3.09Å; S569-K571 PolarHBondContact O-N 3.09Å; S569-G572 PolarHBondContact O-N 3.05Å; S569-R573 PolarHBondContact N-O 3.34Å; S569-R573 VanDerWaalsContact N-O 3.09Å
570	T	53.6	Low	73.8	Confident	34 Å²	34	38.6 Å²	38.6	21%	0.209	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	1.2	-168.5	64.2	0	0	0	0	115.7	D440	D440-T570 HydrophobicContact CB-CG2 3.66Å
571	K	62.7	Low	73.7	Confident	80 Å²	80	35.9 Å²	35.9	35%	0.348	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	5.6	173.3	-50.5	-174.5	-165.7	169.9	0	114.1	S569 D816 I817	S569-K571 PolarHBondContact O-N 3.09Å; K571-D816 PolarHBondContact NZ-O 3.14Å; K571-I817 HydrophobicContact CD-CG2 4.17Å; K571-I817 PolarHBondContact NZ-O 2.88Å
572	G	65.2	Low	73.7	Confident	3 Å²	3	34.1 Å²	34.1	3%	0.031	16%	0.155	C	C	.	.	S	Bend	trans	79	17.1	-177.4	0	0	0	0	0	114.9	S569	S569-G572 PolarHBondContact O-N 3.05Å
573	R	72.3	Confident	73.9	Confident	91 Å²	91	35.7 Å²	35.7	34%	0.343	17%	0.17	S	C	.	.			trans	-84.1	142.8	170.4	-176.7	171	179.8	-97.3	-13.6	110.1	S569 E575	S569-R573 PolarHBondContact N-O 3.34Å; S569-R573 VanDerWaalsContact N-O 3.09Å; R573-E575 IonicContact CZ-OE2 2.74Å; R573-E575 IonicContact NH1-OE2 3.65Å; R573-E575 PolarHBondContact NH1-OE2 3.39Å; R573-E575 IonicContact NH2-OE2 3.74Å; R573-E575 PolarHBondContact NH2-OE2 3.39Å
574	C	78.5	Confident	74.2	Confident	9 Å²	9	36.1 Å²	36.1	6%	0.061	17%	0.17	C	C	.	.			trans	-124.1	129.9	-172.1	-110	0	0	0	0	110	C566 C601	C566-C574 HydrophobicContact CB-CB 4.44Å; C566-C574 VanDerWaalsContact SG-CA 3.53Å; C566-C574 WeakPolarHBondContact SG-CB 3.28Å; C566-C574 PolarHBondContact SG-SG 3.13Å; C574-C601 HydrophobicContact CB-CB 3.88Å; C574-C601 WeakPolarHBondContact CB-SG 3.23Å; C574-C601 VanDerWaalsContact SG-CA 3.54Å; C574-C601 WeakPolarHBondContact SG-CB 3.35Å; C574-C601 CovalentContact SG-SG 2.02Å; C574-C601 PolarHBondContact SG-SG 2.59Å
575	E	80.4	Confident	74.4	Confident	48 Å²	48	33.3 Å²	33.3	22%	0.224	16%	0.161	C	C	.	.			trans	-143.8	140.6	174.7	-164.1	175.8	128.7	0	0	112	C566 C567 R573 T577	C566-E575 PolarHBondContact SG-N 2.99Å; C567-E575 PolarHBondContact N-O 2.9Å; R573-E575 IonicContact CZ-OE2 2.74Å; R573-E575 IonicContact NH1-OE2 3.65Å; R573-E575 PolarHBondContact NH1-OE2 3.39Å; R573-E575 IonicContact NH2-OE2 3.74Å; R573-E575 PolarHBondContact NH2-OE2 3.39Å; E575-T577 PolarHBondContact O-N 2.85Å
576	I	83.3	Confident	75.1	Confident	18 Å²	18	39.3 Å²	39.3	9%	0.092	19%	0.188	C	C	.	.			trans	-72.4	118.3	171.9	-57.1	-176.7	0	0	0	108.7	N418 Q486 P565 C596	N418-I576 PolarHBondContact ND2-O 3.38Å; Q486-I576 HydrophobicContact CB-CD1 3.84Å; Q486-I576 HydrophobicContact CG-CD1 4.02Å; P565-I576 HydrophobicContact CB-CG1 4.44Å; I576-C596 WeakPolarHBondContact CG1-SG 3.3Å
577	T	85.3	Confident	75.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-154.5	-177.3	-169.2	-166.8	0	0	0	0	112.1	G563 R564 C567 E575 Y581 C582	G563-T577 CarbonylContact C-O 3.46Å; G563-T577 WeakPolarHBondContact CA-O 3.25Å; R564-T577 PolarHBondContact N-O 3.2Å; R564-T577 VanDerWaalsContact N-O 3.16Å; R564-T577 PolarHBondContact O-N 2.95Å; R564-T577 VanDerWaalsContact O-O 3.09Å; C567-T577 HydrophobicContact CB-CG2 3.47Å; C567-T577 VanDerWaalsContact CB-CG2 3.47Å; E575-T577 PolarHBondContact O-N 2.85Å; T577-Y581 HydrophobicContact CG2-CD1 3.55Å; T577-Y581 HydrophobicContact CG2-CE1 4.17Å; T577-Y581 HydrophobicContact CG2-CG 4.38Å; T577-Y581 WeakPolarHBondContact OG1-CB 3.22Å; T577-Y581 WeakPolarHBondContact OG1-CD1 3.42Å; T577-Y581 VanDerWaalsContact OG1-CG 3.29Å; T577-C582 HydrophobicContact CG2-CB 4.39Å
578	T	86.3	Confident	76.9	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.031	22%	0.22	C	C	.	.			trans	-85.2	161.2	178.6	75	0	0	0	0	111.4	L416 E580 Y581 C582	L416-T578 HydrophobicContact CB-CG2 4.41Å; L416-T578 HydrophobicContact CD2-CG2 4.44Å; L416-T578 HydrophobicContact CG-CG2 4.21Å; L416-T578 WeakPolarHBondContact O-CB 3.41Å; L416-T578 WeakPolarHBondContact O-CG2 3.31Å; L416-T578 PolarHBondContact O-OG1 2.97Å; T578-E580 VanDerWaalsContact C-N 3.27Å; T578-E580 PolarHBondContact O-N 3.47Å; T578-E580 PolarHBondContact OG1-N 2.91Å; T578-Y581 PolarHBondContact OG1-N 3.22Å; T578-Y581 VanDerWaalsContact OG1-N 3.1Å; T578-C582 WeakPolarHBondContact O-CB 3.43Å; T578-C582 PolarHBondContact O-N 2.84Å
579	R	85.8	Confident	78.1	Confident	118 Å²	118	47.3 Å²	47.3	45%	0.445	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-34.9	171.6	-166.7	-171.6	-64.4	-96.9	11.9	112.2	C582 T583 F589 E591	R579-C582 PolarHBondContact O-N 3.34Å; R579-T583 WeakPolarHBondContact O-CB 3.25Å; R579-T583 PolarHBondContact O-N 2.79Å; R579-T583 PolarHBondContact O-OG1 3.35Å; R579-F589 HydrophobicContact CB-CD2 4.38Å; R579-F589 HydrophobicContact CB-CE1 4.23Å; R579-F589 HydrophobicContact CB-CE2 4.1Å; R579-F589 HydrophobicContact CB-CZ 4.01Å; R579-F589 HydrophobicContact CG-CD1 4.23Å; R579-F589 HydrophobicContact CG-CE1 4.36Å; R579-F589 HydrophobicContact CG-CG 4.35Å; R579-E591 IonicContact CZ-OE1 3.81Å; R579-E591 IonicContact NH1-OE1 3.67Å; R579-E591 PolarHBondContact NH1-OE1 3.46Å; R579-E591 IonicContact NH2-OE1 3.74Å; R579-E591 PolarHBondContact NH2-OE1 3.28Å; R579-E591 IonicContact NH2-OE2 3.88Å; R579-E591 PolarHBondContact NH2-OE2 3.45Å; R579-E591 VanDerWaalsContact NH2-OE2 3.08Å
580	E	86	Confident	79.5	Confident	90 Å²	90	46.3 Å²	46.3	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-54.7	178.1	-66.2	-175.5	179.4	0	0	111.4	L416 T578 C582 T583 F584	L416-E580 WeakPolarHBondContact CB-OE2 3.24Å; L416-E580 PolarHBondContact N-OE2 3.09Å; L416-E580 VanDerWaalsContact N-OE2 3.13Å; T578-E580 VanDerWaalsContact C-N 3.27Å; T578-E580 PolarHBondContact O-N 3.47Å; T578-E580 PolarHBondContact OG1-N 2.91Å; E580-C582 PolarHBondContact O-N 3.36Å; E580-T583 PolarHBondContact O-N 3.46Å; E580-F584 WeakPolarHBondContact O-CB 3.36Å; E580-F584 PolarHBondContact O-N 2.85Å
581	Y	85.2	Confident	81	Confident	30 Å²	30	49.6 Å²	49.6	12%	0.118	23%	0.23	C	C	.	.	H	α-helix	trans	-55.6	-43.9	175.7	177	-82.5	0	0	0	110.6	V415 K417 V425 T577 T578 F584 M585	V415-Y581 HydrophobicContact CG2-CD2 3.89Å; K417-Y581 HydrophobicContact CG-CD2 4.09Å; V425-Y581 HydrophobicContact CB-CE2 4.38Å; V425-Y581 HydrophobicContact CG1-CD2 4.33Å; V425-Y581 HydrophobicContact CG1-CE2 3.73Å; V425-Y581 HydrophobicContact CG2-CD2 3.98Å; V425-Y581 HydrophobicContact CG2-CE2 3.85Å; T577-Y581 HydrophobicContact CG2-CD1 3.55Å; T577-Y581 HydrophobicContact CG2-CE1 4.17Å; T577-Y581 HydrophobicContact CG2-CG 4.38Å; T577-Y581 WeakPolarHBondContact OG1-CB 3.22Å; T577-Y581 WeakPolarHBondContact OG1-CD1 3.42Å; T577-Y581 VanDerWaalsContact OG1-CG 3.29Å; T578-Y581 PolarHBondContact OG1-N 3.22Å; T578-Y581 VanDerWaalsContact OG1-N 3.1Å; Y581-F584 PolarHBondContact O-N 3.48Å; Y581-M585 HydrophobicContact CD1-CG 4.05Å; Y581-M585 HydrophobicContact CE1-CG 3.65Å; Y581-M585 HydrophobicContact CE2-CG 4.39Å; Y581-M585 WeakPolarHBondContact O-CG 3.48Å; Y581-M585 PolarHBondContact O-N 2.94Å
582	C	84.7	Confident	82	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-42.2	-176.8	-165.7	0	0	0	0	113.6	C567 T577 T578 R579 E580 F584 M585 H586 G587 Y588 F589	C567-C582 VanDerWaalsContact CA-SG 3.52Å; C567-C582 HydrophobicContact CB-CB 3.6Å; C567-C582 WeakPolarHBondContact CB-SG 3.45Å; C567-C582 WeakPolarHBondContact SG-CA 3.44Å; C567-C582 WeakPolarHBondContact SG-CB 3.42Å; C567-C582 CovalentContact SG-SG 2.04Å; C567-C582 PolarHBondContact SG-SG 3.41Å; T577-C582 HydrophobicContact CG2-CB 4.39Å; T578-C582 WeakPolarHBondContact O-CB 3.43Å; T578-C582 PolarHBondContact O-N 2.84Å; R579-C582 PolarHBondContact O-N 3.34Å; E580-C582 PolarHBondContact O-N 3.36Å; C582-F584 VanDerWaalsContact C-N 3.27Å; C582-F584 PolarHBondContact O-N 3.26Å; C582-M585 CarbonylContact O-C 3.58Å; C582-M585 PolarHBondContact O-N 3.47Å; C582-H586 PolarHBondContact O-N 2.98Å; C582-H586 VanDerWaalsContact O-N 3.17Å; C582-G587 PolarHBondContact O-N 3.02Å; C582-G587 VanDerWaalsContact O-N 3.15Å; C582-Y588 PolarHBondContact SG-O 2.92Å; C582-F589 HydrophobicContact CB-CB 4.44Å; C582-F589 HydrophobicContact CB-CD2 3.96Å
583	T	86.3	Confident	83	Confident	96 Å²	96	50.2 Å²	50.2	59%	0.589	23%	0.233	S	C	*	.	H	α-helix	trans	-61.8	-38.2	175	-52.4	0	0	0	0	111	R579 E580 H586	R579-T583 WeakPolarHBondContact O-CB 3.25Å; R579-T583 PolarHBondContact O-N 2.79Å; R579-T583 PolarHBondContact O-OG1 3.35Å; E580-T583 PolarHBondContact O-N 3.46Å; T583-H586 PolarHBondContact O-N 2.91Å
584	F	85.2	Confident	83.7	Confident	13 Å²	13	46.7 Å²	46.7	6%	0.057	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-36.8	175.1	175.4	-99	0	0	0	113.3	K411 E413 V415 V425 F427 E580 Y581 C582 H586	K411-F584 HydrophobicContact CD-CE2 3.85Å; K411-F584 HydrophobicContact CG-CE2 4.13Å; E413-F584 HydrophobicContact CB-CD2 3.79Å; E413-F584 HydrophobicContact CB-CE2 3.3Å; E413-F584 HydrophobicContact CB-CZ 3.92Å; E413-F584 HydrophobicContact CG-CD2 4.44Å; E413-F584 HydrophobicContact CG-CE2 4.34Å; E413-F584 VanDerWaalsContact OE2-CD2 3.26Å; E413-F584 WeakPolarHBondContact OE2-CD2 3.34Å; E413-F584 WeakPolarHBondContact OE2-CE2 3.48Å; V415-F584 HydrophobicContact CG1-CB 3.91Å; V415-F584 HydrophobicContact CG1-CD1 4.42Å; V415-F584 HydrophobicContact CG1-CD2 4.37Å; V415-F584 HydrophobicContact CG1-CG 3.98Å; V425-F584 HydrophobicContact CB-CD1 4.42Å; V425-F584 HydrophobicContact CB-CE1 4.05Å; V425-F584 HydrophobicContact CG1-CD1 4.23Å; V425-F584 HydrophobicContact CG1-CE1 3.9Å; V425-F584 WeakPolarHBondContact O-CE1 3.41Å; V425-F584 VanDerWaalsContact O-CZ 3.28Å; V425-F584 WeakPolarHBondContact O-CZ 3.31Å; F427-F584 HydrophobicContact CB-CD1 4.32Å; F427-F584 HydrophobicContact CB-CE1 3.59Å; F427-F584 HydrophobicContact CB-CZ 3.73Å; E580-F584 WeakPolarHBondContact O-CB 3.36Å; E580-F584 PolarHBondContact O-N 2.85Å; Y581-F584 PolarHBondContact O-N 3.48Å; C582-F584 VanDerWaalsContact C-N 3.27Å; C582-F584 PolarHBondContact O-N 3.26Å; F584-H586 PolarHBondContact O-N 3.32Å
585	M	79.9	Confident	84.1	Confident	16 Å²	16	46.2 Å²	46.2	8%	0.079	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.9	177.1	-67.6	-60.7	-63.1	0	0	113.9	V425 F427 Y581 C582 G587	V425-M585 HydrophobicContact CG1-SD 4.11Å; F427-M585 HydrophobicContact CB-SD 4.28Å; F427-M585 HydrophobicContact CD2-CE 3.93Å; F427-M585 HydrophobicContact CD2-SD 3.89Å; Y581-M585 HydrophobicContact CD1-CG 4.05Å; Y581-M585 HydrophobicContact CE1-CG 3.65Å; Y581-M585 HydrophobicContact CE2-CG 4.39Å; Y581-M585 WeakPolarHBondContact O-CG 3.48Å; Y581-M585 PolarHBondContact O-N 2.94Å; C582-M585 CarbonylContact O-C 3.58Å; C582-M585 PolarHBondContact O-N 3.47Å; M585-G587 PolarHBondContact O-N 2.93Å
586	H	79.6	Confident	84.4	Confident	127 Å²	127	44.7 Å²	44.7	59%	0.588	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	25.5	-176.6	-67.2	-87.3	0	0	0	114.8	F427 C582 T583 F584	F427-H586 AromaticContact CE1-CD2 3.66Å; F427-H586 AromaticContact CZ-CD2 3.74Å; C582-H586 PolarHBondContact O-N 2.98Å; C582-H586 VanDerWaalsContact O-N 3.17Å; T583-H586 PolarHBondContact O-N 2.91Å; F584-H586 PolarHBondContact O-N 3.32Å
587	G	79.4	Confident	84.5	Confident	20 Å²	20	44.8 Å²	44.8	21%	0.206	22%	0.215	C	C	.	.			trans	-89.6	167.7	178.9	0	0	0	0	0	114.1	I568 C582 M585	I568-G587 WeakPolarHBondContact O-CA 3.44Å; C582-G587 PolarHBondContact O-N 3.02Å; C582-G587 VanDerWaalsContact O-N 3.15Å; M585-G587 PolarHBondContact O-N 2.93Å
588	Y	80.8	Confident	84.6	Confident	129 Å²	129	45.9 Å²	45.9	51%	0.506	22%	0.22	S	C	.	.			trans	-80.1	144.3	169.2	-165.8	-94.6	0	0	0	110.6	C582 H590	C582-Y588 PolarHBondContact SG-O 2.92Å; Y588-H590 AromaticContact CD1-CD2 3.87Å; Y588-H590 AromaticContact CD1-CE1 3.59Å; Y588-H590 AromaticContact CD1-ND1 3.92Å; Y588-H590 AromaticContact CD1-NE2 3.56Å; Y588-H590 AromaticContact CE1-CE1 3.61Å; Y588-H590 AromaticContact CE1-ND1 3.63Å
589	F	84.1	Confident	84.5	Confident	34 Å²	34	46.2 Å²	46.2	15%	0.149	22%	0.222	C	C	.	.			trans	-124	115.9	-177.8	-176.1	-93.3	0	0	0	109.5	R564 R579 C582 E591	R564-F589 HydrophobicContact CB-CE2 4.43Å; R564-F589 HydrophobicContact CB-CZ 3.9Å; R579-F589 HydrophobicContact CB-CD2 4.38Å; R579-F589 HydrophobicContact CB-CE1 4.23Å; R579-F589 HydrophobicContact CB-CE2 4.1Å; R579-F589 HydrophobicContact CB-CZ 4.01Å; R579-F589 HydrophobicContact CG-CD1 4.23Å; R579-F589 HydrophobicContact CG-CE1 4.36Å; R579-F589 HydrophobicContact CG-CG 4.35Å; C582-F589 HydrophobicContact CB-CB 4.44Å; C582-F589 HydrophobicContact CB-CD2 3.96Å; F589-E591 HydrophobicContact CD1-CG 4.11Å; F589-E591 HydrophobicContact CE1-CG 4.21Å
590	H	85.8	Confident	84.3	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.056	22%	0.218	C	C	.	.			trans	-85	126.6	-179.5	-63.5	-89.8	0	0	0	109.6	P565 Y588 E592 A593 V599	P565-H590 PolarHBondContact O-N 2.94Å; Y588-H590 AromaticContact CD1-CD2 3.87Å; Y588-H590 AromaticContact CD1-CE1 3.59Å; Y588-H590 AromaticContact CD1-ND1 3.92Å; Y588-H590 AromaticContact CD1-NE2 3.56Å; Y588-H590 AromaticContact CE1-CE1 3.61Å; Y588-H590 AromaticContact CE1-ND1 3.63Å; H590-E592 IonicContact CE1-OE1 3.6Å; H590-E592 IonicContact CG-OE1 2.72Å; H590-E592 IonicContact ND1-OE1 3.75Å; H590-E592 PolarHBondContact ND1-OE1 3.46Å; H590-A593 HydrophobicContact CB-CB 4.29Å; H590-V599 HydrophobicContact CB-CG1 4.28Å
591	E	84.5	Confident	83.8	Confident	102 Å²	102	40.6 Å²	40.6	48%	0.477	20%	0.202	S	C	.	.	S	Bend	trans	-92.5	-26.2	176.7	-57.9	-161	-161.9	0	0	111.1	R564 R579 F589	R564-E591 WeakPolarHBondContact CD-O 3.49Å; R564-E591 PolarHBondContact NH1-O 3.37Å; R579-E591 IonicContact CZ-OE1 3.81Å; R579-E591 IonicContact NH1-OE1 3.67Å; R579-E591 PolarHBondContact NH1-OE1 3.46Å; R579-E591 IonicContact NH2-OE1 3.74Å; R579-E591 PolarHBondContact NH2-OE1 3.28Å; R579-E591 IonicContact NH2-OE2 3.88Å; R579-E591 PolarHBondContact NH2-OE2 3.45Å; R579-E591 VanDerWaalsContact NH2-OE2 3.08Å; F589-E591 HydrophobicContact CD1-CG 4.11Å; F589-E591 HydrophobicContact CE1-CG 4.21Å
592	E	83.3	Confident	83.5	Confident	97 Å²	97	40.2 Å²	40.2	45%	0.453	20%	0.202	S	C	.	.	S	Bend	trans	-77	-28.9	-175.7	63.8	-79	-175.2	0	0	114.5	I542 H590	I542-E592 HydrophobicContact CD1-CG 4.36Å; I542-E592 VanDerWaalsContact CG2-O 3.3Å; I542-E592 WeakPolarHBondContact CG2-O 3.43Å; H590-E592 IonicContact CE1-OE1 3.6Å; H590-E592 IonicContact CG-OE1 2.72Å; H590-E592 IonicContact ND1-OE1 3.75Å; H590-E592 PolarHBondContact ND1-OE1 3.46Å
593	A	87	Confident	83.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.			trans	-95.3	161.1	-174.8	0	0	0	0	0	113.2	I542 P565 H590 Q598 V599	I542-A593 HydrophobicContact CD1-CB 4.25Å; I542-A593 HydrophobicContact CG1-CB 4.46Å; P565-A593 HydrophobicContact CB-CB 4.49Å; P565-A593 WeakPolarHBondContact CD-O 3.28Å; P565-A593 HydrophobicContact CG-CB 3.51Å; P565-A593 VanDerWaalsContact CG-O 3.32Å; P565-A593 WeakPolarHBondContact CG-O 3.42Å; H590-A593 HydrophobicContact CB-CB 4.29Å; A593-Q598 HydrophobicContact CB-CB 4.19Å; A593-V599 HydrophobicContact CB-CG1 3.77Å
594	T	86.1	Confident	82.7	Confident	16 Å²	16	40.1 Å²	40.1	10%	0.098	20%	0.202	C	C	.	.	S	Bend	trans	-121.5	-22	174.5	67.5	0	0	0	0	113.9	V514 Q517 P565 Q598	V514-T594 WeakPolarHBondContact CG1-OG1 3.4Å; Q517-T594 HydrophobicContact CB-CG2 4.03Å; Q517-T594 PolarHBondContact OE1-OG1 3.49Å; P565-T594 VanDerWaalsContact CD-C 3.42Å; P565-T594 WeakPolarHBondContact CD-O 3.09Å; P565-T594 VanDerWaalsContact CG-C 3.43Å; T594-Q598 PolarHBondContact OG1-OE1 3.19Å
595	L	87.4	Confident	82.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-120.5	151.9	173	-61.8	176.4	0	0	0	111.6	E470 Q486 V514 I537 P565 S597 Q598	E470-L595 HydrophobicContact CG-CD2 4.06Å; E470-L595 WeakPolarHBondContact OE1-CA 3.4Å; Q486-L595 HydrophobicContact CG-CD2 4.01Å; V514-L595 HydrophobicContact CG1-CD2 3.84Å; V514-L595 HydrophobicContact CG1-CG 4Å; V514-L595 HydrophobicContact CG2-CD1 4.13Å; V514-L595 HydrophobicContact CG2-CD2 4.22Å; V514-L595 HydrophobicContact CG2-CG 4.44Å; I537-L595 HydrophobicContact CB-CD1 4.12Å; I537-L595 HydrophobicContact CG1-CD1 4.48Å; I537-L595 WeakPolarHBondContact O-CD1 3.41Å; P565-L595 WeakPolarHBondContact CB-O 3.31Å; P565-L595 WeakPolarHBondContact CG-O 3.37Å; L595-S597 VanDerWaalsContact C-N 3.33Å; L595-Q598 HydrophobicContact CB-CG 4.15Å; L595-Q598 WeakPolarHBondContact O-CB 3.39Å; L595-Q598 PolarHBondContact O-N 2.92Å
596	C	85.7	Confident	82.7	Confident	15 Å²	15	39.4 Å²	39.4	10%	0.101	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-70.4	-28.1	174	-75.4	0	0	0	0	112.6	E470 C566 I576 Q598 V599	E470-C596 WeakPolarHBondContact OE1-CB 3.24Å; E470-C596 PolarHBondContact OE1-N 3.46Å; E470-C596 PolarHBondContact OE2-N 3.04Å; C566-C596 HydrophobicContact CB-CB 3.88Å; C566-C596 WeakPolarHBondContact CB-SG 3.5Å; C566-C596 WeakPolarHBondContact SG-CB 3.49Å; C566-C596 CovalentContact SG-SG 2.02Å; C566-C596 PolarHBondContact SG-SG 3.43Å; I576-C596 WeakPolarHBondContact CG1-SG 3.3Å; C596-Q598 PolarHBondContact O-N 3.37Å; C596-V599 WeakPolarHBondContact O-CG2 3.25Å; C596-V599 PolarHBondContact O-N 2.83Å
597	S	86.4	Confident	82.4	Confident	21 Å²	21	33.8 Å²	33.8	15%	0.147	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-63.8	-17.6	173.3	73.7	0	0	0	0	114.5	E470 T538 L595 V599	E470-S597 WeakPolarHBondContact OE2-CB 3.29Å; E470-S597 PolarHBondContact OE2-N 3.2Å; T538-S597 VanDerWaalsContact C-OG 3.3Å; T538-S597 WeakPolarHBondContact CA-OG 3.26Å; T538-S597 WeakPolarHBondContact O-CB 3.26Å; T538-S597 PolarHBondContact O-OG 2.94Å; L595-S597 VanDerWaalsContact C-N 3.33Å; S597-V599 VanDerWaalsContact C-N 3.32Å
598	Q	86.6	Confident	82.5	Confident	23 Å²	23	37.5 Å²	37.5	11%	0.107	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-80.3	-10	178.9	-70.1	169.8	-17.8	0	0	113.4	W540 P541 I542 A593 T594 L595 C596	W540-Q598 WeakPolarHBondContact O-CG 3.46Å; W540-Q598 PolarHBondContact O-NE2 3.42Å; P541-Q598 PolarHBondContact O-NE2 3.44Å; I542-Q598 HydrophobicContact CD1-CB 4.26Å; I542-Q598 HydrophobicContact CG1-CB 3.78Å; I542-Q598 HydrophobicContact CG1-CG 4.08Å; A593-Q598 HydrophobicContact CB-CB 4.19Å; T594-Q598 PolarHBondContact OG1-OE1 3.19Å; L595-Q598 HydrophobicContact CB-CG 4.15Å; L595-Q598 WeakPolarHBondContact O-CB 3.39Å; L595-Q598 PolarHBondContact O-N 2.92Å; C596-Q598 PolarHBondContact O-N 3.37Å
599	V	84.4	Confident	82.7	Confident	12 Å²	12	35.9 Å²	35.9	7%	0.073	19%	0.19	C	C	.	.	S	Bend	trans	-126.8	146.2	-174.7	-60.8	0	0	0	0	111.8	C566 H590 A593 C596 S597 C601	C566-V599 HydrophobicContact CB-CG2 3.58Å; H590-V599 HydrophobicContact CB-CG1 4.28Å; A593-V599 HydrophobicContact CB-CG1 3.77Å; C596-V599 WeakPolarHBondContact O-CG2 3.25Å; C596-V599 PolarHBondContact O-N 2.83Å; S597-V599 VanDerWaalsContact C-N 3.32Å; V599-C601 PolarHBondContact O-N 3.29Å; V599-C601 VanDerWaalsContact O-N 3.1Å
600	H	81.4	Confident	82.7	Confident	77 Å²	77	39.5 Å²	39.5	36%	0.356	22%	0.217	S	C	.	.			trans	-90.5	76.2	-174	-68.5	-78.4	0	0	0	111.5	L602 A603 P614 D615	H600-L602 PolarHBondContact O-N 2.88Å; H600-A603 HydrophobicContact CB-CB 3.96Å; H600-A603 WeakPolarHBondContact O-CB 3.32Å; H600-A603 PolarHBondContact O-N 2.82Å; H600-P614 WeakPolarHBondContact CE1-CB 3.01Å; H600-P614 WeakPolarHBondContact ND1-CB 3.35Å; H600-P614 PolarHBondContact ND1-O 3.39Å; H600-P614 WeakPolarHBondContact NE2-CB 3.49Å; H600-D615 IonicContact CE1-OD1 2.72Å; H600-D615 IonicContact ND1-OD1 2.95Å
601	C	76.7	Confident	82.8	Confident	13 Å²	13	39.7 Å²	39.7	9%	0.088	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-35.8	-25.4	-178.5	-61.7	0	0	0	0	119.1	C574 V599	C574-C601 HydrophobicContact CB-CB 3.88Å; C574-C601 WeakPolarHBondContact CB-SG 3.23Å; C574-C601 VanDerWaalsContact SG-CA 3.54Å; C574-C601 WeakPolarHBondContact SG-CB 3.35Å; C574-C601 CovalentContact SG-SG 2.02Å; C574-C601 PolarHBondContact SG-SG 2.59Å; V599-C601 PolarHBondContact O-N 3.29Å; V599-C601 VanDerWaalsContact O-N 3.1Å
602	L	79	Confident	82.9	Confident	21 Å²	21	42 Å²	42	11%	0.11	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-23.4	-179.3	-172.5	60.9	0	0	0	113	P451 H600 V605 C606 F611 P617	P451-L602 HydrophobicContact CB-CD1 4.33Å; H600-L602 PolarHBondContact O-N 2.88Å; L602-V605 PolarHBondContact O-N 3.11Å; L602-C606 WeakPolarHBondContact O-CB 3.49Å; L602-C606 PolarHBondContact O-N 2.78Å; L602-C606 PolarHBondContact O-SG 3.49Å; L602-F611 HydrophobicContact CB-CE2 4.46Å; L602-F611 HydrophobicContact CD2-CZ 4.48Å; L602-F611 HydrophobicContact CG-CZ 4.17Å; L602-P617 HydrophobicContact CD2-CB 4.26Å; L602-P617 HydrophobicContact CD2-CG 4.02Å
603	A	77.9	Confident	82.9	Confident	26 Å²	26	42.2 Å²	42.2	22%	0.215	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-45.7	-174.3	0	0	0	0	0	112.2	H600 V605 C606 G607 F611	H600-A603 HydrophobicContact CB-CB 3.96Å; H600-A603 WeakPolarHBondContact O-CB 3.32Å; H600-A603 PolarHBondContact O-N 2.82Å; A603-V605 VanDerWaalsContact C-N 3.35Å; A603-V605 PolarHBondContact O-N 3.22Å; A603-C606 CarbonylContact O-C 3.16Å; A603-C606 WeakPolarHBondContact O-CA 3.45Å; A603-C606 PolarHBondContact O-N 3.27Å; A603-C606 VanDerWaalsContact O-N 3.1Å; A603-G607 PolarHBondContact O-N 2.93Å; A603-F611 HydrophobicContact CB-CD2 4.11Å; A603-F611 HydrophobicContact CB-CE2 3.84Å
604	D	76.3	Confident	82.5	Confident	69 Å²	69	45.3 Å²	45.3	37%	0.369	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-25.7	-177.9	-51.5	-72.6	0	0	0	112.9	H444 I568	H444-D604 PolarHBondContact CD2-O 3.39Å; I568-D604 HydrophobicContact CD1-CB 3.78Å; I568-D604 VanDerWaalsContact CD1-OD2 3.24Å; I568-D604 WeakPolarHBondContact CD1-OD2 3.47Å
605	V	78.9	Confident	82.1	Confident	14 Å²	14	49.8 Å²	49.8	9%	0.085	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-46.9	165.4	-172	0	0	0	0	109.7	I443 I568 L602 A603 G607	I443-V605 HydrophobicContact CG2-CG1 4.1Å; I568-V605 HydrophobicContact CG2-CG2 3.26Å; L602-V605 PolarHBondContact O-N 3.11Å; A603-V605 VanDerWaalsContact C-N 3.35Å; A603-V605 PolarHBondContact O-N 3.22Å; V605-G607 PolarHBondContact O-N 3.25Å; V605-G607 VanDerWaalsContact O-N 3.08Å
606	C	85	Confident	81.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	44	-176.5	-66	0	0	0	0	113	C452 L602 A603 F611 Q619 R622	C452-C606 WeakPolarHBondContact CA-SG 3.09Å; C452-C606 HydrophobicContact CB-CB 3.7Å; C452-C606 WeakPolarHBondContact CB-SG 3.34Å; C452-C606 VanDerWaalsContact SG-CA 3.52Å; C452-C606 WeakPolarHBondContact SG-CB 3.43Å; C452-C606 CovalentContact SG-SG 2.03Å; C452-C606 PolarHBondContact SG-SG 3.12Å; L602-C606 WeakPolarHBondContact O-CB 3.49Å; L602-C606 PolarHBondContact O-N 2.78Å; L602-C606 PolarHBondContact O-SG 3.49Å; A603-C606 CarbonylContact O-C 3.16Å; A603-C606 WeakPolarHBondContact O-CA 3.45Å; A603-C606 PolarHBondContact O-N 3.27Å; A603-C606 VanDerWaalsContact O-N 3.1Å; C606-F611 HydrophobicContact CB-CE1 3.81Å; C606-F611 HydrophobicContact CB-CZ 3.62Å; C606-Q619 VanDerWaalsContact O-CD 3.31Å; C606-Q619 PolarHBondContact O-NE2 2.91Å; C606-Q619 PolarHBondContact O-OE1 3.42Å; C606-R622 PolarHBondContact O-NH2 3.18Å
607	G	73.2	Confident	82	Confident	9 Å²	9	52.6 Å²	52.6	9%	0.093	30%	0.297	C	S	.	.			trans	-66.5	-155.6	-172.9	0	0	0	0	0	117.3	H444 A603 V605 L609 Y621 R622	H444-G607 CarbonylContact O-C 3.59Å; A603-G607 PolarHBondContact O-N 2.93Å; V605-G607 PolarHBondContact O-N 3.25Å; V605-G607 VanDerWaalsContact O-N 3.08Å; G607-L609 PolarHBondContact O-N 2.9Å; G607-L609 VanDerWaalsContact O-N 3.13Å; G607-Y621 PolarHBondContact O-OH 3.3Å; G607-R622 PolarHBondContact O-NH2 2.73Å
608	L	81.3	Confident	82.2	Confident	98 Å²	98	54 Å²	54	51%	0.513	30%	0.303	S	S	.	.	S	Bend	trans	70.9	-47.1	-165	-171.2	69.8	0	0	0	115.5	H444 Y621 L625	H444-L608 PolarHBondContact O-N 2.93Å; L608-Y621 HydrophobicContact CD2-CE2 4.32Å; L608-L625 HydrophobicContact CD2-CD2 3.29Å
609	L	85.1	Confident	82.4	Confident	94 Å²	94	53 Å²	53	49%	0.492	30%	0.298	S	S	.	.	S	Bend	trans	-140	139.4	173.7	-65.5	172.3	0	0	0	109.7	G607 Q619 Y621	G607-L609 PolarHBondContact O-N 2.9Å; G607-L609 VanDerWaalsContact O-N 3.13Å; L609-Q619 PolarHBondContact O-NE2 3.35Å; L609-Y621 HydrophobicContact CB-CE1 4.13Å; L609-Y621 HydrophobicContact CD1-CD1 4.24Å; L609-Y621 HydrophobicContact CD1-CE1 3.84Å; L609-Y621 HydrophobicContact CD1-CE2 4.46Å; L609-Y621 HydrophobicContact CG-CE1 4.49Å
610	P	85.1	Confident	82.8	Confident	110 Å²	110	56.3 Å²	56.3	71%	0.714	31%	0.311	S	S	*	.			trans	-66.3	156.2	174.5	29.8	-35.5	0	0	0	111.7
611	F	87.7	Confident	83.3	Confident	16 Å²	16	55.7 Å²	55.7	7%	0.07	31%	0.307	C	S	.	.			trans	-64.7	148.4	167.3	-51.7	-47.1	0	0	0	110.5	L602 A603 C606 N613 P617 D618 Q619	L602-F611 HydrophobicContact CB-CE2 4.46Å; L602-F611 HydrophobicContact CD2-CZ 4.48Å; L602-F611 HydrophobicContact CG-CZ 4.17Å; A603-F611 HydrophobicContact CB-CD2 4.11Å; A603-F611 HydrophobicContact CB-CE2 3.84Å; C606-F611 HydrophobicContact CB-CE1 3.81Å; C606-F611 HydrophobicContact CB-CZ 3.62Å; F611-N613 VanDerWaalsContact C-N 3.29Å; F611-N613 WeakPolarHBondContact CB-O 2.98Å; F611-P617 HydrophobicContact CD1-CB 4.39Å; F611-P617 HydrophobicContact CE1-CB 3.81Å; F611-P617 HydrophobicContact CZ-CB 3.91Å; F611-D618 WeakPolarHBondContact CA-OD1 3.47Å; F611-D618 WeakPolarHBondContact CD1-OD1 3.47Å; F611-Q619 HydrophobicContact CD1-CG 3.7Å; F611-Q619 VanDerWaalsContact CE1-CD 3.48Å; F611-Q619 HydrophobicContact CE1-CG 3.76Å; F611-Q619 VanDerWaalsContact CE1-NE2 3.3Å
612	L	87	Confident	84.2	Confident	150 Å²	150	55.1 Å²	55.1	79%	0.785	30%	0.302	S	S	*	.	S	Bend	trans	-69.2	-32.1	171	-79.6	71.2	0	0	0	111.2	D618	L612-D618 WeakPolarHBondContact CB-OD2 3.33Å; L612-D618 WeakPolarHBondContact CD1-OD2 3.35Å; L612-D618 PolarHBondContact N-OD2 3.33Å
613	N	83.6	Confident	84.9	Confident	102 Å²	102	54.1 Å²	54.1	55%	0.545	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-121.9	114.8	171.3	-70.8	-71	0	0	0	108.5	F611 D615 V616	F611-N613 VanDerWaalsContact C-N 3.29Å; F611-N613 WeakPolarHBondContact CB-O 2.98Å; N613-D615 PolarHBondContact O-N 3.25Å; N613-V616 HydrophobicContact CB-CB 4.05Å; N613-V616 HydrophobicContact CB-CG2 4.21Å; N613-V616 PolarHBondContact O-N 3.49Å
614	P	78.3	Confident	85.6	Confident	66 Å²	66	58.6 Å²	58.6	43%	0.429	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.8	-174.5	-30.6	37.8	0	0	0	116.4	H600	H600-P614 WeakPolarHBondContact CE1-CB 3.01Å; H600-P614 WeakPolarHBondContact ND1-CB 3.35Å; H600-P614 PolarHBondContact ND1-O 3.39Å; H600-P614 WeakPolarHBondContact NE2-CB 3.49Å
615	D	76.4	Confident	86.5	Confident	109 Å²	109	57.3 Å²	57.3	58%	0.583	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.4	175.7	-62.9	-56.6	0	0	0	114.5	Q455 H600 N613	Q455-D615 PolarHBondContact NE2-O 2.88Å; H600-D615 IonicContact CE1-OD1 2.72Å; H600-D615 IonicContact ND1-OD1 2.95Å; N613-D615 PolarHBondContact O-N 3.25Å
616	V	84.3	Confident	87.3	Confident	66 Å²	66	56.7 Å²	56.7	40%	0.4	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-130.2	97.6	-172.8	-170.3	0	0	0	0	110.9	N613 D618	N613-V616 HydrophobicContact CB-CB 4.05Å; N613-V616 HydrophobicContact CB-CG2 4.21Å; N613-V616 PolarHBondContact O-N 3.49Å; V616-D618 PolarHBondContact O-N 3.15Å
617	P	87.9	Confident	87.8	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.058	30%	0.298	C	S	.	.			trans	-61.3	127.5	174.3	22.7	-34.8	0	0	0	112.9	P451 M453 Q455 L602 F611	P451-P617 WeakPolarHBondContact O-CB 3.49Å; P451-P617 WeakPolarHBondContact O-CG 3.43Å; M453-P617 CarbonylContact C-O 3.33Å; Q455-P617 HydrophobicContact CG-CG 4.08Å; L602-P617 HydrophobicContact CD2-CB 4.26Å; L602-P617 HydrophobicContact CD2-CG 4.02Å; F611-P617 HydrophobicContact CD1-CB 4.39Å; F611-P617 HydrophobicContact CE1-CB 3.81Å; F611-P617 HydrophobicContact CZ-CB 3.91Å
618	D	89.8	Confident	88.9	Confident	50 Å²	50	57.1 Å²	57.1	27%	0.267	30%	0.297	S	S	.	.			trans	-136.4	8.6	-163.2	60.2	0	0	0	0	114.1	C452 F611 L612 V616 F620	C452-D618 PolarHBondContact O-N 2.96Å; F611-D618 WeakPolarHBondContact CA-OD1 3.47Å; F611-D618 WeakPolarHBondContact CD1-OD1 3.47Å; L612-D618 WeakPolarHBondContact CB-OD2 3.33Å; L612-D618 WeakPolarHBondContact CD1-OD2 3.35Å; L612-D618 PolarHBondContact N-OD2 3.33Å; V616-D618 PolarHBondContact O-N 3.15Å; D618-F620 PolarHBondContact O-N 3.17Å
619	Q	91.6	Very high	89.6	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	27%	0.274	C	S	.	.			trans	-81.2	51.9	-162.6	-57	-178	-16	0	0	114.7	C452 C606 L609 F611 Y621 R622	C452-Q619 VanDerWaalsContact O-CB 3.23Å; C452-Q619 WeakPolarHBondContact O-CB 3.37Å; C452-Q619 WeakPolarHBondContact O-CG 3.23Å; C452-Q619 PolarHBondContact O-N 3.05Å; C606-Q619 VanDerWaalsContact O-CD 3.31Å; C606-Q619 PolarHBondContact O-NE2 2.91Å; C606-Q619 PolarHBondContact O-OE1 3.42Å; L609-Q619 PolarHBondContact O-NE2 3.35Å; F611-Q619 HydrophobicContact CD1-CG 3.7Å; F611-Q619 VanDerWaalsContact CE1-CD 3.48Å; F611-Q619 HydrophobicContact CE1-CG 3.76Å; F611-Q619 VanDerWaalsContact CE1-NE2 3.3Å; Q619-Y621 HydrophobicContact CB-CD1 4.05Å; Q619-Y621 HydrophobicContact CB-CE1 3.49Å; Q619-Y621 VanDerWaalsContact CB-CE1 3.49Å; Q619-Y621 HydrophobicContact CG-CE1 3.74Å; Q619-Y621 PolarHBondContact O-N 3.29Å; Q619-Y621 PolarHBondContact OE1-OH 3.37Å; Q619-R622 HydrophobicContact CB-CG 4.24Å; Q619-R622 WeakPolarHBondContact O-CB 3.23Å; Q619-R622 WeakPolarHBondContact O-CG 3.47Å; Q619-R622 PolarHBondContact O-N 3.36Å; Q619-R622 VanDerWaalsContact OE1-CZ 3.27Å
620	F	91.6	Very high	90.1	Very high	81 Å²	81	48.5 Å²	48.5	36%	0.355	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.2	179.8	-177.5	-100.3	0	0	0	113.9	D618 R622 L623 Y790	D618-F620 PolarHBondContact O-N 3.17Å; F620-R622 PolarHBondContact O-N 3.19Å; F620-L623 HydrophobicContact CD2-CD1 3.79Å; F620-L623 HydrophobicContact CE2-CD1 3.49Å; F620-L623 VanDerWaalsContact CE2-CD1 3.49Å; F620-L623 HydrophobicContact CZ-CD1 4.12Å; F620-L623 PolarHBondContact O-N 2.98Å; F620-L623 VanDerWaalsContact O-N 3.09Å; F620-Y790 HydrophobicContact CD2-CE2 4.14Å; F620-Y790 WeakPolarHBondContact CD2-OH 3.5Å; F620-Y790 HydrophobicContact CE2-CE2 4.4Å
621	Y	92.6	Very high	90.5	Very high	65 Å²	65	43.9 Å²	43.9	26%	0.255	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.8	175.3	69.2	-101.9	0	0	0	113.6	G607 L608 L609 Q619 L623 W624 L625	G607-Y621 PolarHBondContact O-OH 3.3Å; L608-Y621 HydrophobicContact CD2-CE2 4.32Å; L609-Y621 HydrophobicContact CB-CE1 4.13Å; L609-Y621 HydrophobicContact CD1-CD1 4.24Å; L609-Y621 HydrophobicContact CD1-CE1 3.84Å; L609-Y621 HydrophobicContact CD1-CE2 4.46Å; L609-Y621 HydrophobicContact CG-CE1 4.49Å; Q619-Y621 HydrophobicContact CB-CD1 4.05Å; Q619-Y621 HydrophobicContact CB-CE1 3.49Å; Q619-Y621 VanDerWaalsContact CB-CE1 3.49Å; Q619-Y621 HydrophobicContact CG-CE1 3.74Å; Q619-Y621 PolarHBondContact O-N 3.29Å; Q619-Y621 PolarHBondContact OE1-OH 3.37Å; Y621-L623 VanDerWaalsContact C-N 3.28Å; Y621-L623 PolarHBondContact O-N 3.08Å; Y621-W624 WeakPolarHBondContact O-CB 3.49Å; Y621-W624 PolarHBondContact O-N 2.91Å; Y621-W624 VanDerWaalsContact O-N 3.1Å; Y621-L625 HydrophobicContact CD2-CD2 4.31Å; Y621-L625 HydrophobicContact CE2-CD2 4.33Å; Y621-L625 WeakPolarHBondContact O-CB 3.44Å; Y621-L625 PolarHBondContact O-N 2.57Å
622	R	94.8	Very high	90.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-35.8	175.1	-73	174.5	172.7	-82.4	-10.8	113.3	I443 A447 C452 M453 C606 G607 Q619 F620 W624 L625 S626	I443-R622 PolarHBondContact O-NH1 3.13Å; I443-R622 PolarHBondContact O-NH2 3.42Å; A447-R622 WeakPolarHBondContact O-CD 3.28Å; A447-R622 PolarHBondContact O-NH1 3.48Å; C452-R622 VanDerWaalsContact CB-NE 3.28Å; M453-R622 HydrophobicContact CG-CB 4.16Å; M453-R622 HydrophobicContact SD-CB 3.69Å; C606-R622 PolarHBondContact O-NH2 3.18Å; G607-R622 PolarHBondContact O-NH2 2.73Å; Q619-R622 HydrophobicContact CB-CG 4.24Å; Q619-R622 WeakPolarHBondContact O-CB 3.23Å; Q619-R622 WeakPolarHBondContact O-CG 3.47Å; Q619-R622 PolarHBondContact O-N 3.36Å; Q619-R622 VanDerWaalsContact OE1-CZ 3.27Å; F620-R622 PolarHBondContact O-N 3.19Å; R622-W624 PolarHBondContact O-N 2.99Å; R622-L625 PolarHBondContact O-N 3.43Å; R622-S626 VanDerWaalsContact O-CB 3.23Å; R622-S626 WeakPolarHBondContact O-CB 3.23Å; R622-S626 PolarHBondContact O-N 3.48Å; R622-S626 PolarHBondContact O-OG 2.84Å
623	L	94.1	Very high	91.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-29.7	177.6	-61.2	-179.6	0	0	0	112.5	K448 M453 F620 Y621 S626 L668 N671 L672 A675	K448-L623 HydrophobicContact CG-CD2 4.13Å; M453-L623 HydrophobicContact CE-CD2 3.64Å; M453-L623 HydrophobicContact CE-CG 4.35Å; M453-L623 HydrophobicContact SD-CD2 3.59Å; M453-L623 VanDerWaalsContact SD-CD2 3.59Å; M453-L623 HydrophobicContact SD-CG 3.66Å; F620-L623 HydrophobicContact CD2-CD1 3.79Å; F620-L623 HydrophobicContact CE2-CD1 3.49Å; F620-L623 VanDerWaalsContact CE2-CD1 3.49Å; F620-L623 HydrophobicContact CZ-CD1 4.12Å; F620-L623 PolarHBondContact O-N 2.98Å; F620-L623 VanDerWaalsContact O-N 3.09Å; Y621-L623 VanDerWaalsContact C-N 3.28Å; Y621-L623 PolarHBondContact O-N 3.08Å; L623-S626 PolarHBondContact O-OG 2.93Å; L623-L668 HydrophobicContact CB-CD1 3.6Å; L623-L668 HydrophobicContact CD1-CD1 4.37Å; L623-N671 HydrophobicContact CD2-CB 4.22Å; L623-N671 PolarHBondContact O-ND2 3.33Å; L623-L672 HydrophobicContact CD1-CB 4.22Å; L623-L672 HydrophobicContact CD1-CD1 3.8Å; L623-A675 HydrophobicContact CD2-CB 3.98Å
624	W	94.1	Very high	91.6	Very high	121 Å²	121	39.3 Å²	39.3	46%	0.458	20%	0.195	S	C	.	.	H	α-helix	trans	-83.8	-50.7	174.6	177	-80.7	0	0	0	111.6	Y621 R622 S626 L627 F628 I664	Y621-W624 WeakPolarHBondContact O-CB 3.49Å; Y621-W624 PolarHBondContact O-N 2.91Å; Y621-W624 VanDerWaalsContact O-N 3.1Å; R622-W624 PolarHBondContact O-N 2.99Å; W624-S626 VanDerWaalsContact C-N 3.34Å; W624-S626 PolarHBondContact O-N 3.38Å; W624-L627 VanDerWaalsContact O-CB 3.3Å; W624-L627 WeakPolarHBondContact O-CB 3.41Å; W624-L627 WeakPolarHBondContact O-CG 3.36Å; W624-L627 PolarHBondContact O-N 3.28Å; W624-L627 VanDerWaalsContact O-N 3.13Å; W624-F628 AromaticContact CD1-CE2 3.69Å; W624-F628 AromaticContact CE2-CE2 3.98Å; W624-F628 HydrophobicContact CG-CE2 4.41Å; W624-F628 HydrophobicContact CZ2-CZ 4.49Å; W624-F628 AromaticContact NE1-CE2 3.36Å; W624-F628 AromaticContact NE1-CZ 3.86Å; W624-F628 WeakPolarHBondContact O-CD2 3.29Å; W624-I664 HydrophobicContact CE3-CG2 3.93Å; W624-I664 HydrophobicContact CH2-CD1 3.93Å; W624-I664 HydrophobicContact CH2-CG1 4.4Å; W624-I664 HydrophobicContact CH2-CG2 3.62Å; W624-I664 HydrophobicContact CZ2-CD1 4.47Å; W624-I664 HydrophobicContact CZ3-CG2 3.2Å
625	L	94.9	Very high	92.3	Very high	42 Å²	42	37.2 Å²	37.2	22%	0.22	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-35.8	-172.7	-178	58.1	0	0	0	112.9	L608 Y621 R622 L627 F628 L629	L608-L625 HydrophobicContact CD2-CD2 3.29Å; Y621-L625 HydrophobicContact CD2-CD2 4.31Å; Y621-L625 HydrophobicContact CE2-CD2 4.33Å; Y621-L625 WeakPolarHBondContact O-CB 3.44Å; Y621-L625 PolarHBondContact O-N 2.57Å; R622-L625 PolarHBondContact O-N 3.43Å; L625-L627 PolarHBondContact O-N 3.49Å; L625-L627 VanDerWaalsContact O-N 3.12Å; L625-F628 PolarHBondContact O-N 2.93Å; L625-L629 HydrophobicContact CG-CD1 4.39Å; L625-L629 PolarHBondContact O-N 3.28Å
626	S	95.3	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.3	174.2	52.4	0	0	0	0	114.3	R622 L623 W624 F628 N671 G685	R622-S626 VanDerWaalsContact O-CB 3.23Å; R622-S626 WeakPolarHBondContact O-CB 3.23Å; R622-S626 PolarHBondContact O-N 3.48Å; R622-S626 PolarHBondContact O-OG 2.84Å; L623-S626 PolarHBondContact O-OG 2.93Å; W624-S626 VanDerWaalsContact C-N 3.34Å; W624-S626 PolarHBondContact O-N 3.38Å; S626-F628 PolarHBondContact O-N 3.24Å; S626-N671 PolarHBondContact OG-ND2 2.95Å; S626-G685 PolarHBondContact O-N 3.17Å
627	L	96.3	Very high	93.9	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.5	173.2	-60.2	174.5	0	0	0	113.3	H388 W624 L625 N671 P686	H388-L627 PolarHBondContact NE2-O 3.46Å; W624-L627 VanDerWaalsContact O-CB 3.3Å; W624-L627 WeakPolarHBondContact O-CB 3.41Å; W624-L627 WeakPolarHBondContact O-CG 3.36Å; W624-L627 PolarHBondContact O-N 3.28Å; W624-L627 VanDerWaalsContact O-N 3.13Å; L625-L627 PolarHBondContact O-N 3.49Å; L625-L627 VanDerWaalsContact O-N 3.12Å; L627-N671 WeakPolarHBondContact CD2-ND2 3.37Å; L627-P686 WeakPolarHBondContact O-CB 3.45Å; L627-P686 WeakPolarHBondContact O-CD 3.24Å
628	F	96.1	Very high	94.2	Very high	17 Å²	17	36.1 Å²	36.1	8%	0.075	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-33	-177.2	-59.2	-96.1	0	0	0	112.2	W383 I384 V387 H388 I391 W624 L625 S626 H630	W383-F628 AromaticContact CH2-CE1 3.8Å; W383-F628 HydrophobicContact CH2-CE1 3.8Å; W383-F628 HydrophobicContact CH2-CZ 4.36Å; W383-F628 HydrophobicContact CZ3-CE1 4.1Å; I384-F628 HydrophobicContact CD1-CD1 3.59Å; I384-F628 HydrophobicContact CD1-CE1 3.32Å; I384-F628 HydrophobicContact CD1-CZ 4.28Å; V387-F628 HydrophobicContact CG1-CD1 3.76Å; V387-F628 HydrophobicContact CG1-CE1 4.49Å; H388-F628 PolarHBondContact CD2-O 3.04Å; I391-F628 HydrophobicContact CD1-CB 3.97Å; W624-F628 AromaticContact CD1-CE2 3.69Å; W624-F628 AromaticContact CE2-CE2 3.98Å; W624-F628 HydrophobicContact CG-CE2 4.41Å; W624-F628 HydrophobicContact CZ2-CZ 4.49Å; W624-F628 AromaticContact NE1-CE2 3.36Å; W624-F628 AromaticContact NE1-CZ 3.86Å; W624-F628 WeakPolarHBondContact O-CD2 3.29Å; L625-F628 PolarHBondContact O-N 2.93Å; S626-F628 PolarHBondContact O-N 3.24Å; F628-H630 PolarHBondContact O-ND1 3.4Å
629	L	95.4	Very high	94.4	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	16%	0.164	C	C	.	.			trans	-61.9	154.9	170.1	-65.4	170.9	0	0	0	111.1	I391 L445 L625 V684 G685	I391-L629 HydrophobicContact CG2-CD2 3.84Å; L445-L629 HydrophobicContact CB-CD1 4.39Å; L445-L629 HydrophobicContact CB-CD2 4.09Å; L625-L629 HydrophobicContact CG-CD1 4.39Å; L625-L629 PolarHBondContact O-N 3.28Å; L629-V684 HydrophobicContact CB-CB 3.83Å; L629-V684 HydrophobicContact CB-CG1 3.63Å; L629-V684 HydrophobicContact CD1-CG1 3.9Å; L629-V684 HydrophobicContact CG-CG1 4.42Å; L629-G685 WeakPolarHBondContact O-CA 3.39Å; L629-G685 PolarHBondContact O-N 3.02Å; L629-G685 VanDerWaalsContact O-N 3.07Å
630	H	95.6	Very high	94.7	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.023	17%	0.172	C	C	.	.			trans	-140.4	145.3	174.4	-76.7	70.3	0	0	0	109.4	H388 T392 F628 G632 H635 C636 S639 P686	H388-H630 AromaticContact CD2-CE1 3.55Å; H388-H630 AromaticContact CE1-CE1 3.95Å; H388-H630 AromaticContact CG-CE1 3.43Å; H388-H630 VanDerWaalsContact CG-CE1 3.43Å; H388-H630 AromaticContact ND1-CE1 3.72Å; H388-H630 AromaticContact NE2-CE1 3.89Å; T392-H630 HydrophobicContact CG2-CB 4.34Å; F628-H630 PolarHBondContact O-ND1 3.4Å; H630-G632 PolarHBondContact O-N 3.4Å; H630-G632 VanDerWaalsContact O-N 3.15Å; H630-H635 AromaticContact CD2-CD2 3.72Å; H630-C636 HydrophobicContact CB-CB 4.26Å; H630-S639 PolarHBondContact CD2-OG 2.88Å; H630-S639 WeakPolarHBondContact NE2-CB 3.43Å; H630-S639 PolarHBondContact NE2-OG 3Å; H630-P686 WeakPolarHBondContact CE1-CD 3.36Å; H630-P686 VanDerWaalsContact NE2-CD 3.31Å; H630-P686 WeakPolarHBondContact NE2-CD 3.4Å
631	A	92.4	Very high	94.9	Very high	13 Å²	13	35.4 Å²	35.4	11%	0.107	18%	0.18	C	C	.	.	S	Bend	trans	-67	-15.7	-176.5	0	0	0	0	0	114	N432 W434 L442 V684	N432-A631 PolarHBondContact ND2-O 2.76Å; W434-A631 HydrophobicContact CB-CB 4.14Å; W434-A631 VanDerWaalsContact CD1-CB 3.48Å; W434-A631 HydrophobicContact CG-CB 3.91Å; L442-A631 HydrophobicContact CD1-CB 4.44Å; A631-V684 HydrophobicContact CB-CG2 3.85Å; A631-V684 VanDerWaalsContact N-CG2 3.34Å
632	G	93.6	Very high	95	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	171.1	-179.8	177	0	0	0	0	0	113.1	W434 I435 H630 F634 H635 C636	W434-G632 CarbonylContact O-C 3.53Å; W434-G632 WeakPolarHBondContact O-CA 3.41Å; I435-G632 CarbonylContact O-C 3.58Å; I435-G632 WeakPolarHBondContact O-CA 3.29Å; H630-G632 PolarHBondContact O-N 3.4Å; H630-G632 VanDerWaalsContact O-N 3.15Å; G632-F634 VanDerWaalsContact C-N 3.34Å; G632-F634 PolarHBondContact O-N 3.49Å; G632-H635 PolarHBondContact O-N 2.79Å; G632-C636 PolarHBondContact O-N 3.02Å
633	L	95.1	Very high	95	Very high	59 Å²	59	33.8 Å²	33.8	31%	0.309	18%	0.175	S	C	.	.	H	α-helix	trans	-60.1	-40.1	-176.1	-64.2	175.7	0	0	0	112.5	T392 L393 F401 W434 I435 C636 V637	T392-L633 HydrophobicContact CG2-CD2 4.15Å; L393-L633 HydrophobicContact CD2-CD2 4.25Å; F401-L633 HydrophobicContact CE1-CD1 3.76Å; F401-L633 HydrophobicContact CE1-CG 4.26Å; F401-L633 HydrophobicContact CZ-CD1 4Å; W434-L633 PolarHBondContact O-N 2.97Å; W434-L633 VanDerWaalsContact O-N 3.15Å; I435-L633 PolarHBondContact O-N 2.84Å; L633-C636 PolarHBondContact O-N 2.91Å; L633-V637 WeakPolarHBondContact O-CG2 3.26Å; L633-V637 PolarHBondContact O-N 3.31Å
634	F	93.6	Very high	94.9	Very high	113 Å²	113	36.7 Å²	36.7	50%	0.496	19%	0.189	S	C	.	.	H	α-helix	trans	-69	-39.9	179.4	-175.4	-121.4	0	0	0	111.7	W434 G632 V637 V638	W434-F634 HydrophobicContact CE3-CB 4.35Å; W434-F634 AromaticContact CE3-CD1 3.63Å; W434-F634 HydrophobicContact CE3-CD1 3.63Å; W434-F634 HydrophobicContact CE3-CE1 4.41Å; W434-F634 HydrophobicContact CE3-CG 4.39Å; W434-F634 AromaticContact CZ3-CD1 3.74Å; W434-F634 HydrophobicContact CZ3-CD1 3.74Å; W434-F634 HydrophobicContact CZ3-CE1 4.07Å; W434-F634 WeakPolarHBondContact O-CB 3.35Å; W434-F634 PolarHBondContact O-N 3.12Å; G632-F634 VanDerWaalsContact C-N 3.34Å; G632-F634 PolarHBondContact O-N 3.49Å; F634-V637 PolarHBondContact O-N 3.05Å; F634-V638 HydrophobicContact CE1-CG2 4.39Å; F634-V638 HydrophobicContact CE2-CG2 4.22Å; F634-V638 HydrophobicContact CZ-CG2 4.09Å; F634-V638 WeakPolarHBondContact O-CG2 3.27Å; F634-V638 PolarHBondContact O-N 3.23Å
635	H	93.6	Very high	94.8	Very high	21 Å²	21	33.6 Å²	33.6	10%	0.097	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-48.5	173.8	-168.6	166.9	0	0	0	110.2	W434 H630 G632 V637 V638 S639 V684	W434-H635 HydrophobicContact CB-CB 4.2Å; W434-H635 HydrophobicContact CD2-CB 3.73Å; W434-H635 HydrophobicContact CE3-CB 3.55Å; W434-H635 HydrophobicContact CG-CB 4.05Å; W434-H635 HydrophobicContact CZ3-CB 4.11Å; H630-H635 AromaticContact CD2-CD2 3.72Å; G632-H635 PolarHBondContact O-N 2.79Å; H635-V637 VanDerWaalsContact C-N 3.33Å; H635-V637 PolarHBondContact O-N 2.8Å; H635-V638 PolarHBondContact O-N 3.43Å; H635-S639 PolarHBondContact O-N 2.93Å; H635-S639 PolarHBondContact O-OG 2.87Å; H635-V684 PolarHBondContact CE1-O 2.8Å; H635-V684 VanDerWaalsContact CE1-O 3.26Å
636	C	96.7	Very high	94.7	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.054	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-42.9	177.5	-171.5	0	0	0	0	112.4	T392 H630 G632 L633 S639 V640	T392-C636 HydrophobicContact CG2-CB 3.83Å; T392-C636 PolarHBondContact OG1-SG 3.4Å; T392-C636 VanDerWaalsContact OG1-SG 3.36Å; H630-C636 HydrophobicContact CB-CB 4.26Å; G632-C636 PolarHBondContact O-N 3.02Å; L633-C636 PolarHBondContact O-N 2.91Å; C636-S639 PolarHBondContact O-N 2.92Å; C636-V640 WeakPolarHBondContact O-CB 3.39Å; C636-V640 VanDerWaalsContact O-CG2 3.29Å; C636-V640 WeakPolarHBondContact O-CG2 3.27Å; C636-V640 PolarHBondContact O-N 2.92Å
637	V	96.3	Very high	94.7	Very high	87 Å²	87	32.1 Å²	32.1	53%	0.527	18%	0.176	S	C	.	.	H	α-helix	trans	-61.8	-44.6	176.4	168.5	0	0	0	0	112	L633 F634 H635 V640 V641	L633-V637 WeakPolarHBondContact O-CG2 3.26Å; L633-V637 PolarHBondContact O-N 3.31Å; F634-V637 PolarHBondContact O-N 3.05Å; H635-V637 VanDerWaalsContact C-N 3.33Å; H635-V637 PolarHBondContact O-N 2.8Å; V637-V640 PolarHBondContact O-N 2.94Å; V637-V641 WeakPolarHBondContact O-CG2 3.43Å; V637-V641 PolarHBondContact O-N 3Å
638	V	94.3	Very high	94.5	Very high	66 Å²	66	35.6 Å²	35.6	40%	0.4	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-47.2	176.4	173.6	0	0	0	0	110.9	F634 H635 V640 V641 F642	F634-V638 HydrophobicContact CE1-CG2 4.39Å; F634-V638 HydrophobicContact CE2-CG2 4.22Å; F634-V638 HydrophobicContact CZ-CG2 4.09Å; F634-V638 WeakPolarHBondContact O-CG2 3.27Å; F634-V638 PolarHBondContact O-N 3.23Å; H635-V638 PolarHBondContact O-N 3.43Å; V638-V640 PolarHBondContact O-N 3.36Å; V638-V641 PolarHBondContact O-N 3.16Å; V638-F642 PolarHBondContact O-N 3.19Å
639	S	95.6	Very high	94.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-44.3	175.7	-72.8	0	0	0	0	112.9	H630 H635 C636 F642 Q643 Q690	H630-S639 PolarHBondContact CD2-OG 2.88Å; H630-S639 WeakPolarHBondContact NE2-CB 3.43Å; H630-S639 PolarHBondContact NE2-OG 3Å; H635-S639 PolarHBondContact O-N 2.93Å; H635-S639 PolarHBondContact O-OG 2.87Å; C636-S639 PolarHBondContact O-N 2.92Å; S639-F642 PolarHBondContact O-N 3.29Å; S639-Q643 WeakPolarHBondContact O-CB 3.41Å; S639-Q643 WeakPolarHBondContact O-CG 3.45Å; S639-Q643 PolarHBondContact O-N 3.34Å; S639-Q690 PolarHBondContact OG-NE2 2.61Å
640	V	96.4	Very high	94	Very high	31 Å²	31	35.2 Å²	35.2	19%	0.188	19%	0.188	C	C	.	.	H	α-helix	trans	-67.2	-36.3	178.3	170	0	0	0	0	111.5	T385 V389 C636 V637 V638 Q643 M644	T385-V640 HydrophobicContact CG2-CG1 4.43Å; T385-V640 HydrophobicContact CG2-CG2 4.44Å; V389-V640 HydrophobicContact CG2-CG2 3.92Å; C636-V640 WeakPolarHBondContact O-CB 3.39Å; C636-V640 VanDerWaalsContact O-CG2 3.29Å; C636-V640 WeakPolarHBondContact O-CG2 3.27Å; C636-V640 PolarHBondContact O-N 2.92Å; V637-V640 PolarHBondContact O-N 2.94Å; V638-V640 PolarHBondContact O-N 3.36Å; V640-Q643 PolarHBondContact O-N 3.5Å; V640-M644 HydrophobicContact CG1-CG 4.26Å; V640-M644 WeakPolarHBondContact O-CB 3.31Å; V640-M644 WeakPolarHBondContact O-CG 3.29Å; V640-M644 PolarHBondContact O-N 2.81Å
641	V	95.7	Very high	93.9	Very high	87 Å²	87	35 Å²	35	53%	0.527	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-45.9	172.9	169.2	0	0	0	0	110.8	V637 V638 Q643 T645	V637-V641 WeakPolarHBondContact O-CG2 3.43Å; V637-V641 PolarHBondContact O-N 3Å; V638-V641 PolarHBondContact O-N 3.16Å; V641-Q643 VanDerWaalsContact C-N 3.34Å; V641-Q643 PolarHBondContact O-N 2.69Å; V641-T645 WeakPolarHBondContact O-CB 3.37Å; V641-T645 WeakPolarHBondContact O-CG2 3.32Å; V641-T645 PolarHBondContact O-N 2.69Å; V641-T645 VanDerWaalsContact O-N 3.12Å; V641-T645 PolarHBondContact O-OG1 3.24Å
642	F	95.3	Very high	93.7	Very high	31 Å²	31	36.6 Å²	36.6	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-44.7	174	-176.6	-83.4	0	0	0	111.4	V638 S639 T645 V646 Q690 L693 L694	V638-F642 PolarHBondContact O-N 3.19Å; S639-F642 PolarHBondContact O-N 3.29Å; F642-T645 PolarHBondContact O-N 3.08Å; F642-T645 PolarHBondContact O-OG1 2.86Å; F642-V646 HydrophobicContact CD1-CB 4.32Å; F642-V646 HydrophobicContact CD2-CG2 4.23Å; F642-V646 HydrophobicContact CE1-CB 3.92Å; F642-V646 HydrophobicContact CE1-CG1 4.08Å; F642-V646 HydrophobicContact CE2-CB 4.15Å; F642-V646 HydrophobicContact CE2-CG1 4.38Å; F642-V646 HydrophobicContact CE2-CG2 3.95Å; F642-V646 HydrophobicContact CZ-CB 3.84Å; F642-V646 HydrophobicContact CZ-CG1 3.77Å; F642-V646 HydrophobicContact CZ-CG2 4.15Å; F642-V646 PolarHBondContact O-N 3.44Å; F642-Q690 HydrophobicContact CD1-CB 3.99Å; F642-Q690 HydrophobicContact CD1-CG 3.59Å; F642-Q690 HydrophobicContact CE1-CB 3.72Å; F642-Q690 HydrophobicContact CE1-CG 3.77Å; F642-Q690 HydrophobicContact CE2-CB 4.38Å; F642-Q690 HydrophobicContact CG-CB 4.44Å; F642-Q690 HydrophobicContact CG-CG 4.15Å; F642-Q690 HydrophobicContact CZ-CB 3.93Å; F642-Q690 HydrophobicContact CZ-CG 4.45Å; F642-Q690 WeakPolarHBondContact CZ-O 3Å; F642-L693 HydrophobicContact CE1-CB 4.13Å; F642-L693 HydrophobicContact CE1-CD1 3.87Å; F642-L693 HydrophobicContact CZ-CB 4.22Å; F642-L694 HydrophobicContact CE2-CD1 4.37Å; F642-L694 HydrophobicContact CE2-CD2 3.9Å; F642-L694 HydrophobicContact CE2-CG 4.01Å; F642-L694 HydrophobicContact CZ-CD2 4.19Å; F642-L694 HydrophobicContact CZ-CG 4.05Å
643	Q	95.3	Very high	93.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-66.5	-43.2	-177.6	-71.3	156.7	19.6	0	0	111.7	T381 T385 H388 S639 V640 V641 T645 L647 R648	T381-Q643 HydrophobicContact CG2-CB 4.46Å; T381-Q643 WeakPolarHBondContact CG2-O 3.39Å; T385-Q643 HydrophobicContact CG2-CB 3.52Å; T385-Q643 HydrophobicContact CG2-CG 4.37Å; T385-Q643 VanDerWaalsContact CG2-OE1 3.23Å; H388-Q643 PolarHBondContact CE1-NE2 3.28Å; H388-Q643 PolarHBondContact CE1-OE1 3.11Å; H388-Q643 PolarHBondContact ND1-NE2 3.28Å; H388-Q643 PolarHBondContact ND1-OE1 3.48Å; S639-Q643 WeakPolarHBondContact O-CB 3.41Å; S639-Q643 WeakPolarHBondContact O-CG 3.45Å; S639-Q643 PolarHBondContact O-N 3.34Å; V640-Q643 PolarHBondContact O-N 3.5Å; V641-Q643 VanDerWaalsContact C-N 3.34Å; V641-Q643 PolarHBondContact O-N 2.69Å; Q643-T645 VanDerWaalsContact C-N 3.28Å; Q643-T645 PolarHBondContact O-N 3.16Å; Q643-L647 HydrophobicContact CB-CB 4.34Å; Q643-L647 HydrophobicContact CB-CD2 4.24Å; Q643-L647 HydrophobicContact CG-CB 4.5Å; Q643-L647 HydrophobicContact CG-CD2 3.98Å; Q643-L647 WeakPolarHBondContact O-CB 3.19Å; Q643-L647 PolarHBondContact O-N 3.34Å; Q643-R648 PolarHBondContact O-N 3.27Å
644	M	92.4	Very high	93.1	Very high	61 Å²	61	34.5 Å²	34.5	30%	0.3	18%	0.181	S	C	.	.	I	π-helix	trans	-72.2	-15.9	177.2	-70.5	-68.1	-174.7	0	0	114.2	Y382 T385 V640 R648	Y382-M644 HydrophobicContact CD1-CE 4.07Å; Y382-M644 HydrophobicContact CD1-SD 4.27Å; Y382-M644 HydrophobicContact CE1-CE 4.31Å; Y382-M644 HydrophobicContact CE1-SD 4.06Å; T385-M644 HydrophobicContact CG2-CE 4.11Å; T385-M644 HydrophobicContact CG2-CG 4.5Å; V640-M644 HydrophobicContact CG1-CG 4.26Å; V640-M644 WeakPolarHBondContact O-CB 3.31Å; V640-M644 WeakPolarHBondContact O-CG 3.29Å; V640-M644 PolarHBondContact O-N 2.81Å; M644-R648 VanDerWaalsContact O-CZ 3.26Å; M644-R648 PolarHBondContact O-NE 3.26Å; M644-R648 PolarHBondContact O-NH2 3.07Å
645	T	90.8	Very high	93	Very high	56 Å²	56	29.3 Å²	29.3	34%	0.344	16%	0.16	S	C	.	.	I	π-helix	trans	-103.1	-48.9	179.6	52.9	0	0	0	0	113.7	V641 F642 Q643 D649	V641-T645 WeakPolarHBondContact O-CB 3.37Å; V641-T645 WeakPolarHBondContact O-CG2 3.32Å; V641-T645 PolarHBondContact O-N 2.69Å; V641-T645 VanDerWaalsContact O-N 3.12Å; V641-T645 PolarHBondContact O-OG1 3.24Å; F642-T645 PolarHBondContact O-N 3.08Å; F642-T645 PolarHBondContact O-OG1 2.86Å; Q643-T645 VanDerWaalsContact C-N 3.28Å; Q643-T645 PolarHBondContact O-N 3.16Å; T645-D649 VanDerWaalsContact O-CB 3.23Å; T645-D649 WeakPolarHBondContact O-CB 3.01Å
646	V	92.9	Very high	92.9	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.067	18%	0.182	C	C	.	.	I	π-helix	trans	-98.8	-52.4	-175.4	179.2	0	0	0	0	111.8	V350 F642 R648 D649 L650 L697	V350-V646 HydrophobicContact CG2-CG2 4.06Å; F642-V646 HydrophobicContact CD1-CB 4.32Å; F642-V646 HydrophobicContact CD2-CG2 4.23Å; F642-V646 HydrophobicContact CE1-CB 3.92Å; F642-V646 HydrophobicContact CE1-CG1 4.08Å; F642-V646 HydrophobicContact CE2-CB 4.15Å; F642-V646 HydrophobicContact CE2-CG1 4.38Å; F642-V646 HydrophobicContact CE2-CG2 3.95Å; F642-V646 HydrophobicContact CZ-CB 3.84Å; F642-V646 HydrophobicContact CZ-CG1 3.77Å; F642-V646 HydrophobicContact CZ-CG2 4.15Å; F642-V646 PolarHBondContact O-N 3.44Å; V646-R648 PolarHBondContact O-N 3.48Å; V646-D649 WeakPolarHBondContact O-CB 3.41Å; V646-D649 PolarHBondContact O-N 2.67Å; V646-D649 VanDerWaalsContact O-N 3.16Å; V646-L650 HydrophobicContact CG1-CD1 3.95Å; V646-L650 HydrophobicContact CG1-CG 4.48Å; V646-L650 PolarHBondContact O-N 3.1Å; V646-L697 HydrophobicContact CG1-CD1 3.94Å; V646-L697 HydrophobicContact CG1-CG 4.49Å
647	L	94.8	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-62.7	-47.1	-177.6	172.6	55.6	0	0	0	111.2	F380 T381 I384 Q643 D649 L650 E651 I659 Y663 L693	F380-L647 HydrophobicContact CD1-CD1 4.11Å; F380-L647 HydrophobicContact CD1-CD2 4.25Å; F380-L647 HydrophobicContact CE1-CD1 4.15Å; F380-L647 HydrophobicContact CE1-CD2 4.03Å; T381-L647 HydrophobicContact CG2-CB 4.48Å; T381-L647 HydrophobicContact CG2-CD2 4.31Å; T381-L647 HydrophobicContact CG2-CG 4.16Å; I384-L647 HydrophobicContact CG2-CD2 3.77Å; Q643-L647 HydrophobicContact CB-CB 4.34Å; Q643-L647 HydrophobicContact CB-CD2 4.24Å; Q643-L647 HydrophobicContact CG-CB 4.5Å; Q643-L647 HydrophobicContact CG-CD2 3.98Å; Q643-L647 WeakPolarHBondContact O-CB 3.19Å; Q643-L647 PolarHBondContact O-N 3.34Å; L647-D649 PolarHBondContact O-N 2.81Å; L647-L650 PolarHBondContact O-N 2.79Å; L647-E651 WeakPolarHBondContact O-CB 3.12Å; L647-E651 PolarHBondContact O-N 3.47Å; L647-I659 HydrophobicContact CD1-CG2 3.18Å; L647-Y663 HydrophobicContact CD2-CD2 4.31Å; L647-Y663 HydrophobicContact CD2-CE2 4.2Å; L647-L693 HydrophobicContact CB-CD1 3.8Å; L647-L693 HydrophobicContact CD1-CD1 3.84Å; L647-L693 HydrophobicContact CD1-CD2 4.19Å; L647-L693 HydrophobicContact CD2-CD1 4.48Å; L647-L693 HydrophobicContact CG-CD1 4.21Å
648	R	92.3	Very high	92.7	Very high	74 Å²	74	38.3 Å²	38.3	28%	0.279	19%	0.191	S	C	.	.	H	α-helix	trans	-56.3	-32.9	175.3	-162.7	170.6	52	139.3	-1.9	113.5	P378 T381 Q643 M644 V646 K652	P378-R648 HydrophobicContact CB-CG 3.75Å; P378-R648 HydrophobicContact CG-CG 3.75Å; T381-R648 HydrophobicContact CG2-CB 3.92Å; T381-R648 HydrophobicContact CG2-CG 4.44Å; T381-R648 WeakPolarHBondContact OG1-CA 3.4Å; T381-R648 PolarHBondContact OG1-N 2.87Å; Q643-R648 PolarHBondContact O-N 3.27Å; M644-R648 VanDerWaalsContact O-CZ 3.26Å; M644-R648 PolarHBondContact O-NE 3.26Å; M644-R648 PolarHBondContact O-NH2 3.07Å; V646-R648 PolarHBondContact O-N 3.48Å; R648-K652 WeakPolarHBondContact O-CG 3.41Å; R648-K652 PolarHBondContact O-N 3.08Å
649	D	90.1	Very high	92.8	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-78.6	-46.9	-177.2	-174.9	68.3	0	0	0	110.1	R343 G348 V349 T645 V646 L647 E651 K652	R343-D649 WeakPolarHBondContact CD-O 3.41Å; R343-D649 WeakPolarHBondContact CD-OD1 3.39Å; R343-D649 IonicContact CZ-OD2 3.08Å; R343-D649 VanDerWaalsContact CZ-OD2 3.24Å; R343-D649 PolarHBondContact NE-O 2.8Å; R343-D649 VanDerWaalsContact NE-O 3.12Å; R343-D649 IonicContact NE-OD1 3.51Å; R343-D649 PolarHBondContact NE-OD1 3.26Å; R343-D649 IonicContact NE-OD2 2.76Å; R343-D649 PolarHBondContact NE-OD2 2.83Å; R343-D649 IonicContact NH2-OD2 2.67Å; R343-D649 PolarHBondContact NH2-OD2 2.76Å; G348-D649 WeakPolarHBondContact CA-OD1 3.24Å; G348-D649 WeakPolarHBondContact CA-OD2 3.47Å; V349-D649 HydrophobicContact CB-CB 4.42Å; V349-D649 HydrophobicContact CG2-CB 4.21Å; V349-D649 VanDerWaalsContact N-CG 3.3Å; V349-D649 PolarHBondContact N-OD1 3.36Å; V349-D649 PolarHBondContact N-OD2 3.49Å; T645-D649 VanDerWaalsContact O-CB 3.23Å; T645-D649 WeakPolarHBondContact O-CB 3.01Å; V646-D649 WeakPolarHBondContact O-CB 3.41Å; V646-D649 PolarHBondContact O-N 2.67Å; V646-D649 VanDerWaalsContact O-N 3.16Å; L647-D649 PolarHBondContact O-N 2.81Å; D649-E651 PolarHBondContact O-N 3.35Å; D649-K652 PolarHBondContact O-N 3.37Å
650	L	91.4	Very high	92.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-39.6	172.7	-70.2	173.5	0	0	0	113	V646 L647 K652 L653 A654 I659 L693 C696 L697	V646-L650 HydrophobicContact CG1-CD1 3.95Å; V646-L650 HydrophobicContact CG1-CG 4.48Å; V646-L650 PolarHBondContact O-N 3.1Å; L647-L650 PolarHBondContact O-N 2.79Å; L650-K652 VanDerWaalsContact C-N 3.35Å; L650-K652 PolarHBondContact O-N 2.65Å; L650-L653 WeakPolarHBondContact O-CB 3.39Å; L650-L653 PolarHBondContact O-N 3.07Å; L650-A654 PolarHBondContact O-N 2.77Å; L650-I659 HydrophobicContact CB-CD1 4.02Å; L650-L693 HydrophobicContact CD1-CB 3.99Å; L650-L693 HydrophobicContact CD1-CD2 3.82Å; L650-L693 HydrophobicContact CD1-CG 4.44Å; L650-C696 HydrophobicContact CD1-CB 4.01Å; L650-L697 HydrophobicContact CD2-CD2 3.81Å; L650-L697 HydrophobicContact CD2-CG 4.48Å; L650-L697 HydrophobicContact CG-CD2 4.31Å
651	E	93.2	Very high	92.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-35.5	179.7	-157.6	-167.9	157.2	0	0	112.6	H376 P378 Y379 F380 T381 L647 D649 L653 G655 W656 I659	H376-E651 WeakPolarHBondContact CB-O 3.18Å; P378-E651 VanDerWaalsContact C-OE1 3.23Å; P378-E651 VanDerWaalsContact C-OE2 3.24Å; P378-E651 WeakPolarHBondContact CA-OE1 3.43Å; P378-E651 WeakPolarHBondContact CA-OE2 3.2Å; P378-E651 HydrophobicContact CB-CB 4.24Å; P378-E651 WeakPolarHBondContact CB-OE2 3.33Å; Y379-E651 PolarHBondContact N-OE1 3Å; F380-E651 WeakPolarHBondContact CB-OE1 3.28Å; F380-E651 PolarHBondContact N-OE1 2.98Å; F380-E651 PolarHBondContact N-OE2 3.19Å; T381-E651 VanDerWaalsContact CB-OE2 3.32Å; T381-E651 WeakPolarHBondContact CB-OE2 3.03Å; T381-E651 PolarHBondContact N-OE2 3.2Å; T381-E651 PolarHBondContact OG1-OE2 2.85Å; L647-E651 WeakPolarHBondContact O-CB 3.12Å; L647-E651 PolarHBondContact O-N 3.47Å; D649-E651 PolarHBondContact O-N 3.35Å; E651-L653 PolarHBondContact O-N 3.27Å; E651-G655 VanDerWaalsContact O-CA 3.28Å; E651-G655 WeakPolarHBondContact O-CA 3.41Å; E651-G655 PolarHBondContact O-N 2.03Å; E651-W656 HydrophobicContact CG-CB 4.31Å; E651-W656 VanDerWaalsContact OE1-CA 3.3Å; E651-W656 WeakPolarHBondContact OE1-CA 3.27Å; E651-W656 WeakPolarHBondContact OE1-CB 3.47Å; E651-I659 HydrophobicContact CB-CG2 4.43Å; E651-I659 HydrophobicContact CG-CB 4.42Å
652	K	89.2	Confident	92.9	Very high	47 Å²	47	33.5 Å²	33.5	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-28.7	171.4	-82.2	-177.5	166.1	-154.5	0	113.1	Q341 R343 H376 R648 D649 L650	Q341-K652 PolarHBondContact O-NZ 3.43Å; R343-K652 HydrophobicContact CB-CB 4.35Å; H376-K652 PolarHBondContact N-O 3.09Å; R648-K652 WeakPolarHBondContact O-CG 3.41Å; R648-K652 PolarHBondContact O-N 3.08Å; D649-K652 PolarHBondContact O-N 3.37Å; L650-K652 VanDerWaalsContact C-N 3.35Å; L650-K652 PolarHBondContact O-N 2.65Å
653	L	86.3	Confident	93	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-83.4	-59.2	179.7	-171.4	73.4	0	0	0	112	Y345 L650 E651 E700	Y345-L653 HydrophobicContact CD2-CD1 3.85Å; Y345-L653 HydrophobicContact CD2-CD2 4.23Å; Y345-L653 HydrophobicContact CD2-CG 4.41Å; Y345-L653 HydrophobicContact CE2-CD2 4.24Å; Y345-L653 HydrophobicContact CG-CD1 4.33Å; L650-L653 WeakPolarHBondContact O-CB 3.39Å; L650-L653 PolarHBondContact O-N 3.07Å; E651-L653 PolarHBondContact O-N 3.27Å; L653-E700 HydrophobicContact CD2-CG 4.46Å
654	A	88.8	Confident	93.1	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	16%	0.159	C	C	.	.	H	α-helix	trans	-98.4	-6.1	-168.5	0	0	0	0	0	114.5	L650 R658 I659 L754 P755	L650-A654 PolarHBondContact O-N 2.77Å; A654-R658 HydrophobicContact CB-CB 4.44Å; A654-R658 VanDerWaalsContact O-CD 3.29Å; A654-R658 WeakPolarHBondContact O-CD 3.37Å; A654-R658 WeakPolarHBondContact O-CG 3.39Å; A654-I659 HydrophobicContact CB-CD1 3.95Å; A654-I659 HydrophobicContact CB-CG1 3.95Å; A654-L754 HydrophobicContact CB-CD2 3.83Å; A654-P755 HydrophobicContact CB-CG 4.23Å
655	G	91	Very high	93.4	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	16%	0.162	C	C	.	.			trans	83.1	157.9	-179.7	0	0	0	0	0	114.2	H376 E651 A657 I659	H376-G655 VanDerWaalsContact CG-CA 3.47Å; E651-G655 VanDerWaalsContact O-CA 3.28Å; E651-G655 WeakPolarHBondContact O-CA 3.41Å; E651-G655 PolarHBondContact O-N 2.03Å; G655-A657 PolarHBondContact O-N 3.31Å; G655-I659 PolarHBondContact O-N 3.34Å
656	W	93.3	Very high	93.7	Very high	150 Å²	150	31.7 Å²	31.7	57%	0.568	15%	0.145	S	C	*	.	H	α-helix	trans	-56.5	-52.1	-170.6	73.3	-89.7	0	0	0	113	F380 E651 R658 I659 S660	F380-W656 HydrophobicContact CB-CB 4.2Å; E651-W656 HydrophobicContact CG-CB 4.31Å; E651-W656 VanDerWaalsContact OE1-CA 3.3Å; E651-W656 WeakPolarHBondContact OE1-CA 3.27Å; E651-W656 WeakPolarHBondContact OE1-CB 3.47Å; W656-R658 PolarHBondContact O-N 2.94Å; W656-I659 PolarHBondContact O-N 3.04Å; W656-S660 WeakPolarHBondContact O-CB 3.45Å; W656-S660 PolarHBondContact O-N 3.26Å; W656-S660 PolarHBondContact O-OG 3.45Å
657	A	93.8	Very high	93.9	Very high	40 Å²	40	31.1 Å²	31.1	33%	0.331	14%	0.142	S	C	.	.	H	α-helix	trans	-63.2	-45.3	-173.4	0	0	0	0	0	112.7	G655 I659 S660 I661	G655-A657 PolarHBondContact O-N 3.31Å; A657-I659 PolarHBondContact O-N 3.25Å; A657-S660 WeakPolarHBondContact O-CB 3.39Å; A657-S660 PolarHBondContact O-N 3.22Å; A657-I661 WeakPolarHBondContact O-CG1 3.34Å; A657-I661 PolarHBondContact O-N 3.07Å
658	R	94.8	Very high	94.1	Very high	114 Å²	114	31.9 Å²	31.9	43%	0.43	15%	0.146	S	C	.	.	H	α-helix	trans	-61.1	-46.4	179.9	-65.2	-164.2	-168.1	-148.3	6.6	112.1	A654 W656 I661 I662 I753	A654-R658 HydrophobicContact CB-CB 4.44Å; A654-R658 VanDerWaalsContact O-CD 3.29Å; A654-R658 WeakPolarHBondContact O-CD 3.37Å; A654-R658 WeakPolarHBondContact O-CG 3.39Å; W656-R658 PolarHBondContact O-N 2.94Å; R658-I661 PolarHBondContact O-N 2.91Å; R658-I662 WeakPolarHBondContact O-CG1 3.3Å; R658-I662 PolarHBondContact O-N 3.03Å; R658-I662 VanDerWaalsContact O-N 3.09Å; R658-I753 HydrophobicContact CB-CG2 3.67Å; R658-I753 WeakPolarHBondContact CD-O 3.02Å; R658-I753 HydrophobicContact CG-CG2 3.9Å; R658-I753 PolarHBondContact NH1-O 3.1Å
659	I	95.5	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-72.8	-32.5	179.8	-66.9	-58.8	0	0	0	111.6	L647 L650 E651 A654 G655 W656 A657 I662 Y663 L693 L754	L647-I659 HydrophobicContact CD1-CG2 3.18Å; L650-I659 HydrophobicContact CB-CD1 4.02Å; E651-I659 HydrophobicContact CB-CG2 4.43Å; E651-I659 HydrophobicContact CG-CB 4.42Å; A654-I659 HydrophobicContact CB-CD1 3.95Å; A654-I659 HydrophobicContact CB-CG1 3.95Å; G655-I659 PolarHBondContact O-N 3.34Å; W656-I659 PolarHBondContact O-N 3.04Å; A657-I659 PolarHBondContact O-N 3.25Å; I659-I662 HydrophobicContact CD1-CD1 4.24Å; I659-I662 PolarHBondContact O-N 3.45Å; I659-Y663 WeakPolarHBondContact O-CB 3.45Å; I659-Y663 PolarHBondContact O-N 3.38Å; I659-L693 HydrophobicContact CG2-CD2 4.15Å; I659-L754 HydrophobicContact CD1-CD2 4.36Å
660	S	96.3	Very high	94.6	Very high	11 Å²	11	27.7 Å²	27.7	8%	0.077	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-49.2	171.1	-54.7	0	0	0	0	110.7	F380 W656 A657 Y663 I664	F380-S660 WeakPolarHBondContact CD2-OG 3.3Å; F380-S660 WeakPolarHBondContact CG-OG 3.41Å; W656-S660 WeakPolarHBondContact O-CB 3.45Å; W656-S660 PolarHBondContact O-N 3.26Å; W656-S660 PolarHBondContact O-OG 3.45Å; A657-S660 WeakPolarHBondContact O-CB 3.39Å; A657-S660 PolarHBondContact O-N 3.22Å; S660-Y663 PolarHBondContact O-N 3.25Å; S660-I664 VanDerWaalsContact O-CB 3.27Å; S660-I664 WeakPolarHBondContact O-CB 3.2Å; S660-I664 WeakPolarHBondContact O-CD1 3.34Å; S660-I664 WeakPolarHBondContact O-CG1 3.01Å; S660-I664 PolarHBondContact O-N 2.89Å
661	I	96.9	Very high	94.8	Very high	74 Å²	74	28.1 Å²	28.1	38%	0.379	13%	0.132	S	C	.	.	H	α-helix	trans	-60.9	-50.7	178.5	-64.4	162.2	0	0	0	110.6	A657 R658 Y663 I664 F665 I753	A657-I661 WeakPolarHBondContact O-CG1 3.34Å; A657-I661 PolarHBondContact O-N 3.07Å; R658-I661 PolarHBondContact O-N 2.91Å; I661-Y663 VanDerWaalsContact C-N 3.35Å; I661-Y663 PolarHBondContact O-N 3.43Å; I661-I664 PolarHBondContact O-N 3.45Å; I661-F665 HydrophobicContact CG2-CD2 3.79Å; I661-F665 HydrophobicContact CG2-CE2 4.23Å; I661-F665 WeakPolarHBondContact O-CB 3.21Å; I661-F665 WeakPolarHBondContact O-CD2 3.09Å; I661-F665 PolarHBondContact O-N 2.85Å; I661-I753 HydrophobicContact CB-CD1 4.33Å; I661-I753 HydrophobicContact CG2-CD1 3.58Å
662	I	97.4	Very high	94.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58	-46.9	179.2	-67.4	164.1	0	0	0	110.9	R658 I659 S666 L749 I753 L754	R658-I662 WeakPolarHBondContact O-CG1 3.3Å; R658-I662 PolarHBondContact O-N 3.03Å; R658-I662 VanDerWaalsContact O-N 3.09Å; I659-I662 HydrophobicContact CD1-CD1 4.24Å; I659-I662 PolarHBondContact O-N 3.45Å; I662-S666 WeakPolarHBondContact O-CB 3.4Å; I662-S666 PolarHBondContact O-N 2.99Å; I662-S666 VanDerWaalsContact O-N 3.08Å; I662-S666 PolarHBondContact O-OG 2.99Å; I662-L749 HydrophobicContact CG1-CB 4.15Å; I662-I753 HydrophobicContact CD1-CB 4.14Å; I662-I753 HydrophobicContact CD1-CG2 4.13Å; I662-I753 HydrophobicContact CG1-CB 4.28Å; I662-I753 HydrophobicContact CG1-CD1 4.07Å; I662-I753 HydrophobicContact CG1-CG2 4.36Å; I662-L754 HydrophobicContact CD1-CD2 4.11Å; I662-L754 HydrophobicContact CD1-CG 4.31Å
663	Y	97.8	Very high	95.1	Very high	1 Å²	1	26 Å²	26	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-50.4	179.2	178	-86.9	0	0	0	112.4	F380 I384 H388 L647 I659 S660 I661 S666 G667 P686 S689 L693	F380-Y663 HydrophobicContact CE1-CD1 4.06Å; F380-Y663 HydrophobicContact CE1-CD2 4.35Å; F380-Y663 AromaticContact CE1-CG 3.9Å; F380-Y663 HydrophobicContact CE1-CG 3.9Å; F380-Y663 AromaticContact CZ-CD1 3.61Å; F380-Y663 HydrophobicContact CZ-CD1 3.61Å; F380-Y663 HydrophobicContact CZ-CE1 4.07Å; F380-Y663 AromaticContact CZ-CG 3.94Å; F380-Y663 HydrophobicContact CZ-CG 3.94Å; I384-Y663 HydrophobicContact CD1-CE1 4.31Å; I384-Y663 HydrophobicContact CG1-CE1 4.13Å; H388-Y663 PolarHBondContact CE1-OH 2.85Å; L647-Y663 HydrophobicContact CD2-CD2 4.31Å; L647-Y663 HydrophobicContact CD2-CE2 4.2Å; I659-Y663 WeakPolarHBondContact O-CB 3.45Å; I659-Y663 PolarHBondContact O-N 3.38Å; S660-Y663 PolarHBondContact O-N 3.25Å; I661-Y663 VanDerWaalsContact C-N 3.35Å; I661-Y663 PolarHBondContact O-N 3.43Å; Y663-S666 PolarHBondContact O-OG 2.94Å; Y663-G667 PolarHBondContact O-N 3.25Å; Y663-G667 VanDerWaalsContact O-N 3.13Å; Y663-P686 HydrophobicContact CE1-CB 4.44Å; Y663-P686 HydrophobicContact CE2-CB 4.27Å; Y663-P686 WeakPolarHBondContact OH-CB 3.18Å; Y663-P686 WeakPolarHBondContact OH-CG 3.5Å; Y663-S689 WeakPolarHBondContact O-CB 3.39Å; Y663-S689 PolarHBondContact O-OG 2.82Å; Y663-L693 HydrophobicContact CD2-CD1 3.8Å; Y663-L693 HydrophobicContact CD2-CG 4.36Å; Y663-L693 HydrophobicContact CE2-CD1 4.38Å
664	I	97.4	Very high	95.4	Very high	26 Å²	26	25.4 Å²	25.4	13%	0.133	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-52.5	-175.8	-73.6	167.8	0	0	0	110.6	W624 S660 I661 G667 L668	W624-I664 HydrophobicContact CE3-CG2 3.93Å; W624-I664 HydrophobicContact CH2-CD1 3.93Å; W624-I664 HydrophobicContact CH2-CG1 4.4Å; W624-I664 HydrophobicContact CH2-CG2 3.62Å; W624-I664 HydrophobicContact CZ2-CD1 4.47Å; W624-I664 HydrophobicContact CZ3-CG2 3.2Å; S660-I664 VanDerWaalsContact O-CB 3.27Å; S660-I664 WeakPolarHBondContact O-CB 3.2Å; S660-I664 WeakPolarHBondContact O-CD1 3.34Å; S660-I664 WeakPolarHBondContact O-CG1 3.01Å; S660-I664 PolarHBondContact O-N 2.89Å; I661-I664 PolarHBondContact O-N 3.45Å; I664-G667 PolarHBondContact O-N 3Å; I664-L668 WeakPolarHBondContact O-CB 3.09Å; I664-L668 PolarHBondContact O-N 2.6Å
665	F	97.7	Very high	95.5	Very high	82 Å²	82	25.2 Å²	25.2	36%	0.36	12%	0.118	S	C	.	.	H	α-helix	trans	-75.6	-30.5	-172.7	-79.6	-84.1	0	0	0	113.1	I661 L668 T669 L749 Y778	I661-F665 HydrophobicContact CG2-CD2 3.79Å; I661-F665 HydrophobicContact CG2-CE2 4.23Å; I661-F665 WeakPolarHBondContact O-CB 3.21Å; I661-F665 WeakPolarHBondContact O-CD2 3.09Å; I661-F665 PolarHBondContact O-N 2.85Å; F665-L668 HydrophobicContact CD1-CD2 4.41Å; F665-T669 WeakPolarHBondContact O-CB 3.31Å; F665-T669 PolarHBondContact O-N 3.37Å; F665-T669 PolarHBondContact O-OG1 3.49Å; F665-L749 HydrophobicContact CB-CD1 3.56Å; F665-L749 HydrophobicContact CB-CD2 4.37Å; F665-Y778 PolarHBondContact O-OH 3Å
666	S	97.9	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.2	-40.9	169.5	58.9	0	0	0	0	112.2	I662 Y663 T669 G670 G742	I662-S666 WeakPolarHBondContact O-CB 3.4Å; I662-S666 PolarHBondContact O-N 2.99Å; I662-S666 VanDerWaalsContact O-N 3.08Å; I662-S666 PolarHBondContact O-OG 2.99Å; Y663-S666 PolarHBondContact O-OG 2.94Å; S666-T669 PolarHBondContact O-N 3.41Å; S666-G670 PolarHBondContact O-N 2.84Å; S666-G742 WeakPolarHBondContact CB-O 3.46Å; S666-G742 WeakPolarHBondContact O-CA 3.4Å
667	G	97.1	Very high	95.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59	-49.7	171.7	0	0	0	0	0	112.5	Y663 I664 T669 G670 N671 S689	Y663-G667 PolarHBondContact O-N 3.25Å; Y663-G667 VanDerWaalsContact O-N 3.13Å; I664-G667 PolarHBondContact O-N 3Å; G667-T669 VanDerWaalsContact C-N 3.33Å; G667-T669 PolarHBondContact O-N 2.91Å; G667-G670 PolarHBondContact O-N 3.35Å; G667-N671 WeakPolarHBondContact O-CB 3.35Å; G667-N671 PolarHBondContact O-N 3.33Å; G667-N671 PolarHBondContact O-OD1 3.15Å; G667-S689 WeakPolarHBondContact CA-OG 2.96Å
668	L	97.6	Very high	94.8	Very high	15 Å²	15	17.7 Å²	17.7	8%	0.079	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-40.9	177.8	-173	62.7	0	0	0	112.3	L623 I664 F665 L672 F782	L623-L668 HydrophobicContact CB-CD1 3.6Å; L623-L668 HydrophobicContact CD1-CD1 4.37Å; I664-L668 WeakPolarHBondContact O-CB 3.09Å; I664-L668 PolarHBondContact O-N 2.6Å; F665-L668 HydrophobicContact CD1-CD2 4.41Å; L668-L672 VanDerWaalsContact O-CB 3.23Å; L668-L672 WeakPolarHBondContact O-CB 3.26Å; L668-L672 PolarHBondContact O-N 3.17Å; L668-F782 HydrophobicContact CD2-CE2 4Å; L668-F782 HydrophobicContact CD2-CZ 3.82Å; L668-F782 HydrophobicContact CG-CE2 3.93Å; L668-F782 HydrophobicContact CG-CZ 4.15Å
669	T	97.1	Very high	94.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-43.7	175.2	-57.1	0	0	0	0	111.9	F665 S666 G667 A673 Y778 L781 L785	F665-T669 WeakPolarHBondContact O-CB 3.31Å; F665-T669 PolarHBondContact O-N 3.37Å; F665-T669 PolarHBondContact O-OG1 3.49Å; S666-T669 PolarHBondContact O-N 3.41Å; G667-T669 VanDerWaalsContact C-N 3.33Å; G667-T669 PolarHBondContact O-N 2.91Å; T669-A673 WeakPolarHBondContact O-CB 3.37Å; T669-A673 PolarHBondContact O-N 3.41Å; T669-A673 VanDerWaalsContact O-N 3.12Å; T669-Y778 WeakPolarHBondContact OG1-CE2 3.31Å; T669-Y778 PolarHBondContact OG1-OH 3Å; T669-L781 HydrophobicContact CG2-CD2 4.33Å; T669-L785 HydrophobicContact CG2-CD1 3.95Å
670	G	96.1	Very high	93.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-50.4	176	0	0	0	0	0	112.3	S666 G667 L672 A673 S674 A738	S666-G670 PolarHBondContact O-N 2.84Å; G667-G670 PolarHBondContact O-N 3.35Å; G670-L672 VanDerWaalsContact C-N 3.33Å; G670-L672 PolarHBondContact O-N 3.03Å; G670-A673 PolarHBondContact O-N 3.18Å; G670-S674 WeakPolarHBondContact O-CB 3.43Å; G670-S674 PolarHBondContact O-N 2.98Å; G670-A738 WeakPolarHBondContact O-CA 3.31Å
671	N	95.7	Very high	93	Very high	11 Å²	11	16.3 Å²	16.3	6%	0.059	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-39.2	179.8	-72	3	0	0	0	112.2	L623 S626 L627 G667 A675	L623-N671 HydrophobicContact CD2-CB 4.22Å; L623-N671 PolarHBondContact O-ND2 3.33Å; S626-N671 PolarHBondContact OG-ND2 2.95Å; L627-N671 WeakPolarHBondContact CD2-ND2 3.37Å; G667-N671 WeakPolarHBondContact O-CB 3.35Å; G667-N671 PolarHBondContact O-N 3.33Å; G667-N671 PolarHBondContact O-OD1 3.15Å; N671-A675 VanDerWaalsContact O-CB 3.23Å; N671-A675 WeakPolarHBondContact O-CB 3.03Å; N671-A675 PolarHBondContact O-N 3.4Å
672	L	95.3	Very high	92.5	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-67	-44.6	177	179.5	63.2	0	0	0	112.2	L623 L668 G670 A675 L676 F782 L785 V786 F789	L623-L672 HydrophobicContact CD1-CB 4.22Å; L623-L672 HydrophobicContact CD1-CD1 3.8Å; L668-L672 VanDerWaalsContact O-CB 3.23Å; L668-L672 WeakPolarHBondContact O-CB 3.26Å; L668-L672 PolarHBondContact O-N 3.17Å; G670-L672 VanDerWaalsContact C-N 3.33Å; G670-L672 PolarHBondContact O-N 3.03Å; L672-A675 PolarHBondContact O-N 3.28Å; L672-L676 PolarHBondContact O-N 3.02Å; L672-F782 HydrophobicContact CD2-CD2 4.31Å; L672-F782 HydrophobicContact CD2-CE2 3.91Å; L672-F782 HydrophobicContact CD2-CZ 4.3Å; L672-L785 HydrophobicContact CD2-CB 3.64Å; L672-L785 HydrophobicContact CG-CB 4Å; L672-V786 HydrophobicContact CD2-CG2 3.61Å; L672-F789 HydrophobicContact CD1-CB 3.84Å; L672-F789 HydrophobicContact CD1-CD1 4.29Å; L672-F789 HydrophobicContact CD1-CD2 4.29Å; L672-F789 HydrophobicContact CD1-CG 3.86Å
673	A	93.8	Very high	92.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.4	-41.3	175.8	0	0	0	0	0	111.9	T669 G670 L676 F677 I737 F741 L785	T669-A673 WeakPolarHBondContact O-CB 3.37Å; T669-A673 PolarHBondContact O-N 3.41Å; T669-A673 VanDerWaalsContact O-N 3.12Å; G670-A673 PolarHBondContact O-N 3.18Å; A673-L676 WeakPolarHBondContact O-CB 3.34Å; A673-L676 PolarHBondContact O-N 3.38Å; A673-F677 WeakPolarHBondContact O-CD2 3.26Å; A673-F677 PolarHBondContact O-N 3.42Å; A673-F677 VanDerWaalsContact O-N 3.1Å; A673-I737 HydrophobicContact CB-CG2 4.29Å; A673-F741 HydrophobicContact CB-CB 3.55Å; A673-F741 HydrophobicContact CB-CD1 3.72Å; A673-F741 HydrophobicContact CB-CD2 3.54Å; A673-F741 HydrophobicContact CB-CE1 4.28Å; A673-F741 HydrophobicContact CB-CE2 4.13Å; A673-F741 HydrophobicContact CB-CG 3.3Å; A673-F741 HydrophobicContact CB-CZ 4.46Å; A673-L785 HydrophobicContact CB-CD1 4.15Å; A673-L785 HydrophobicContact CB-CD2 3.96Å
674	S	92	Very high	91.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.4	-39.4	173.5	174	0	0	0	0	112.6	K448 G670 L676 F677 L678 E683 D735	K448-S674 PolarHBondContact NZ-OG 2.04Å; G670-S674 WeakPolarHBondContact O-CB 3.43Å; G670-S674 PolarHBondContact O-N 2.98Å; S674-L676 VanDerWaalsContact C-N 3.26Å; S674-L676 PolarHBondContact O-N 3.26Å; S674-F677 PolarHBondContact O-N 2.03Å; S674-L678 CarbonylContact O-C 3.58Å; S674-L678 WeakPolarHBondContact O-CA 3.18Å; S674-L678 WeakPolarHBondContact O-CB 3.34Å; S674-L678 PolarHBondContact O-N 3.23Å; S674-E683 PolarHBondContact OG-OE2 3.31Å; S674-E683 VanDerWaalsContact OG-OE2 3.07Å; S674-D735 WeakPolarHBondContact CB-OD2 3.49Å; S674-D735 PolarHBondContact OG-OD2 3.06Å
675	A	91.1	Very high	91.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64	-31.4	174.9	0	0	0	0	0	112.6	K448 S450 M453 L623 N671 L672 F789	K448-A675 HydrophobicContact CD-CB 4.13Å; K448-A675 HydrophobicContact CG-CB 4.16Å; S450-A675 VanDerWaalsContact OG-CA 3.3Å; S450-A675 WeakPolarHBondContact OG-CA 3.37Å; S450-A675 WeakPolarHBondContact OG-CB 3.45Å; S450-A675 PolarHBondContact OG-O 2.92Å; M453-A675 HydrophobicContact CE-CB 3.71Å; L623-A675 HydrophobicContact CD2-CB 3.98Å; N671-A675 VanDerWaalsContact O-CB 3.23Å; N671-A675 WeakPolarHBondContact O-CB 3.03Å; N671-A675 PolarHBondContact O-N 3.4Å; L672-A675 PolarHBondContact O-N 3.28Å; A675-F789 HydrophobicContact CB-CD2 4.19Å; A675-F789 HydrophobicContact CB-CE2 3.66Å; A675-F789 HydrophobicContact CB-CZ 4.39Å
676	L	90.4	Very high	91.5	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-69.9	-46.3	174.1	176.1	59.6	0	0	0	112.4	L672 A673 S674 L785 W788 F789	L672-L676 PolarHBondContact O-N 3.02Å; A673-L676 WeakPolarHBondContact O-CB 3.34Å; A673-L676 PolarHBondContact O-N 3.38Å; S674-L676 VanDerWaalsContact C-N 3.26Å; S674-L676 PolarHBondContact O-N 3.26Å; L676-L785 HydrophobicContact CD2-CD2 4.23Å; L676-W788 HydrophobicContact CD1-CB 4.19Å; L676-W788 WeakPolarHBondContact CD1-O 3.04Å; L676-W788 HydrophobicContact CD2-CB 3.68Å; L676-W788 HydrophobicContact CD2-CE3 4.12Å; L676-F789 HydrophobicContact CB-CD2 4.36Å
677	F	87.3	Confident	91.3	Very high	22 Å²	22	12.5 Å²	12.5	10%	0.096	7%	0.069	C	C	.	.	H	α-helix	trans	-97.6	-19.3	-170.5	-60	-58.4	0	0	0	115.4	A673 S674 I737 F741 L796 L799	A673-F677 WeakPolarHBondContact O-CD2 3.26Å; A673-F677 PolarHBondContact O-N 3.42Å; A673-F677 VanDerWaalsContact O-N 3.1Å; S674-F677 PolarHBondContact O-N 2.03Å; F677-I737 HydrophobicContact CB-CD1 3.74Å; F677-I737 HydrophobicContact CB-CG2 4.46Å; F677-I737 HydrophobicContact CD2-CG2 3.88Å; F677-F741 HydrophobicContact CE2-CE2 4.05Å; F677-F741 HydrophobicContact CE2-CZ 4.04Å; F677-L796 HydrophobicContact CE1-CD1 4.07Å; F677-L796 HydrophobicContact CE1-CG 4.37Å; F677-L799 HydrophobicContact CB-CD2 4.24Å; F677-L799 HydrophobicContact CD1-CD2 3.7Å; F677-L799 HydrophobicContact CD2-CD2 3.43Å; F677-L799 VanDerWaalsContact CD2-CD2 3.43Å; F677-L799 HydrophobicContact CE1-CD2 3.81Å; F677-L799 HydrophobicContact CE2-CD2 3.56Å; F677-L799 HydrophobicContact CG-CD2 3.51Å; F677-L799 HydrophobicContact CZ-CD2 3.75Å
678	L	85.3	Confident	91.2	Very high	13 Å²	13	12.5 Å²	12.5	7%	0.068	7%	0.069	C	C	.	.			trans	-128.8	65.6	177.8	-63.3	170.6	0	0	0	110.3	K448 S674 Y680 R681 I737 E800 T803	K448-L678 PolarHBondContact NZ-O 3.32Å; S674-L678 CarbonylContact O-C 3.58Å; S674-L678 WeakPolarHBondContact O-CA 3.18Å; S674-L678 WeakPolarHBondContact O-CB 3.34Å; S674-L678 PolarHBondContact O-N 3.23Å; L678-Y680 VanDerWaalsContact C-N 3.33Å; L678-Y680 PolarHBondContact O-N 3.43Å; L678-R681 HydrophobicContact CB-CB 4.45Å; L678-R681 PolarHBondContact O-N 3.09Å; L678-I737 HydrophobicContact CD1-CD1 4.12Å; L678-I737 HydrophobicContact CG-CD1 4.09Å; L678-E800 HydrophobicContact CD2-CG 4.45Å; L678-T803 HydrophobicContact CD1-CG2 3.86Å
679	P	84.6	Confident	91.2	Very high	20 Å²	20	11.8 Å²	11.8	13%	0.13	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.3	-168.9	24.6	-34.8	0	0	0	114.2	S450 P451	S450-P679 PolarHBondContact N-O 2.99Å; P451-P679 WeakPolarHBondContact CD-O 3.03Å
680	Y	82.1	Confident	91.1	Very high	48 Å²	48	12.8 Å²	12.8	19%	0.188	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	8.3	-174.4	-47.2	-50.4	0	0	0	114.4	P451 D456 Q458 I459 L678 I817	P451-Y680 HydrophobicContact CG-CD1 4.16Å; P451-Y680 HydrophobicContact CG-CE1 4.33Å; D456-Y680 PolarHBondContact OD1-OH 3.49Å; D456-Y680 VanDerWaalsContact OD1-OH 3.05Å; Q458-Y680 PolarHBondContact OE1-OH 3.02Å; I459-Y680 HydrophobicContact CD1-CE1 4.4Å; L678-Y680 VanDerWaalsContact C-N 3.33Å; L678-Y680 PolarHBondContact O-N 3.43Å; Y680-I817 HydrophobicContact CD1-CD1 4.23Å; Y680-I817 HydrophobicContact CD2-CD1 4.41Å; Y680-I817 HydrophobicContact CE1-CD1 3.98Å; Y680-I817 HydrophobicContact CE2-CD1 4.14Å; Y680-I817 HydrophobicContact CG-CD1 4.45Å
681	R	82.4	Confident	91.1	Very high	28 Å²	28	13.4 Å²	13.4	11%	0.106	7%	0.072	C	C	.	.			trans	-99.2	118.2	171.6	-74.2	-168	172.5	-172.9	0.2	110.7	K448 L678 E683 Y815	K448-R681 VanDerWaalsContact CE-O 3.27Å; K448-R681 WeakPolarHBondContact CE-O 3.27Å; K448-R681 PolarHBondContact NZ-O 3.04Å; L678-R681 HydrophobicContact CB-CB 4.45Å; L678-R681 PolarHBondContact O-N 3.09Å; R681-E683 HydrophobicContact CB-CG 4.31Å; R681-E683 WeakPolarHBondContact CB-OE1 3.04Å; R681-E683 WeakPolarHBondContact CD-OE1 2.97Å; R681-E683 PolarHBondContact O-N 2.78Å; R681-Y815 HydrophobicContact CG-CD1 4.39Å; R681-Y815 HydrophobicContact CG-CD2 4Å; R681-Y815 HydrophobicContact CG-CE1 4.36Å; R681-Y815 HydrophobicContact CG-CE2 3.99Å; R681-Y815 HydrophobicContact CG-CG 4.2Å
682	A	86.7	Confident	91.2	Very high	25 Å²	25	12.9 Å²	12.9	21%	0.207	7%	0.07	C	C	.	.			trans	-76.8	110.2	172.2	0	0	0	0	0	109.9	I443 K448 F449	I443-A682 HydrophobicContact CD1-CB 3.83Å; I443-A682 HydrophobicContact CG1-CB 3.41Å; I443-A682 VanDerWaalsContact CG1-CB 3.41Å; K448-A682 WeakPolarHBondContact O-CA 3.43Å; F449-A682 HydrophobicContact CD2-CB 4.2Å
683	E	88.6	Confident	91.3	Very high	28 Å²	28	12.8 Å²	12.8	13%	0.131	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-126.4	145	-172.9	-78.3	156.9	176.5	0	0	112	K448 S674 R681	K448-E683 WeakPolarHBondContact CB-O 2.98Å; K448-E683 HydrophobicContact CD-CB 4.46Å; K448-E683 PolarHBondContact N-O 3.09Å; K448-E683 IonicContact NZ-OE2 2.74Å; K448-E683 PolarHBondContact NZ-OE2 3.41Å; K448-E683 PolarHBondContact O-N 2.88Å; K448-E683 VanDerWaalsContact O-N 3.17Å; S674-E683 PolarHBondContact OG-OE2 3.31Å; S674-E683 VanDerWaalsContact OG-OE2 3.07Å; R681-E683 HydrophobicContact CB-CG 4.31Å; R681-E683 WeakPolarHBondContact CB-OE1 3.04Å; R681-E683 WeakPolarHBondContact CD-OE1 2.97Å; R681-E683 PolarHBondContact O-N 2.78Å
684	V	92.9	Very high	91.3	Very high	22 Å²	22	13.3 Å²	13.3	13%	0.133	7%	0.072	C	C	.	.			trans	-147.3	151.2	-174.3	-70.5	0	0	0	0	110.5	L442 A447 L629 A631 H635	L442-V684 HydrophobicContact CD1-CG2 4.13Å; L442-V684 HydrophobicContact CD2-CG2 4.31Å; A447-V684 HydrophobicContact CB-CG1 3.4Å; L629-V684 HydrophobicContact CB-CB 3.83Å; L629-V684 HydrophobicContact CB-CG1 3.63Å; L629-V684 HydrophobicContact CD1-CG1 3.9Å; L629-V684 HydrophobicContact CG-CG1 4.42Å; A631-V684 HydrophobicContact CB-CG2 3.85Å; A631-V684 VanDerWaalsContact N-CG2 3.34Å; H635-V684 PolarHBondContact CE1-O 2.8Å; H635-V684 VanDerWaalsContact CE1-O 3.26Å
685	G	93.1	Very high	91.5	Very high	4 Å²	4	13.3 Å²	13.3	4%	0.041	7%	0.072	C	C	.	.	S	Bend	trans	117.6	149.4	178.7	0	0	0	0	0	111.9	S626 L629 A687	S626-G685 PolarHBondContact O-N 3.17Å; L629-G685 WeakPolarHBondContact O-CA 3.39Å; L629-G685 PolarHBondContact O-N 3.02Å; L629-G685 VanDerWaalsContact O-N 3.07Å; G685-A687 PolarHBondContact O-N 3.25Å
686	P	95.2	Very high	91.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-77.4	30.4	177.9	30.7	-32.8	0	0	0	112.8	L627 H630 Y663 G688 S689 Q690	L627-P686 WeakPolarHBondContact O-CB 3.45Å; L627-P686 WeakPolarHBondContact O-CD 3.24Å; H630-P686 WeakPolarHBondContact CE1-CD 3.36Å; H630-P686 VanDerWaalsContact NE2-CD 3.31Å; H630-P686 WeakPolarHBondContact NE2-CD 3.4Å; Y663-P686 HydrophobicContact CE1-CB 4.44Å; Y663-P686 HydrophobicContact CE2-CB 4.27Å; Y663-P686 WeakPolarHBondContact OH-CB 3.18Å; Y663-P686 WeakPolarHBondContact OH-CG 3.5Å; P686-G688 PolarHBondContact O-N 2.7Å; P686-S689 CarbonylContact O-C 3.6Å; P686-S689 WeakPolarHBondContact O-CA 3.31Å; P686-S689 VanDerWaalsContact O-CB 3.3Å; P686-S689 WeakPolarHBondContact O-CB 3.39Å; P686-S689 PolarHBondContact O-N 2.02Å; P686-Q690 WeakPolarHBondContact O-CG 3.45Å; P686-Q690 PolarHBondContact O-N 3.1Å
687	A	93.3	Very high	91.8	Very high	23 Å²	23	13.4 Å²	13.4	19%	0.19	7%	0.073	C	C	.	.	H	α-helix	trans	-63.5	-42.7	-170.4	0	0	0	0	0	111.8	G685 S689 Q690 F691 H739	G685-A687 PolarHBondContact O-N 3.25Å; A687-S689 VanDerWaalsContact C-N 3.32Å; A687-S689 PolarHBondContact O-N 3.35Å; A687-Q690 WeakPolarHBondContact O-CB 2.92Å; A687-Q690 PolarHBondContact O-N 2.87Å; A687-Q690 VanDerWaalsContact O-N 3.1Å; A687-F691 WeakPolarHBondContact O-CD2 3.32Å; A687-F691 PolarHBondContact O-N 3Å; A687-H739 WeakPolarHBondContact CB-NE2 3.32Å
688	G	94.6	Very high	92.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57	-41.4	170.5	0	0	0	0	0	113.1	P686 F691 G692 A738	P686-G688 PolarHBondContact O-N 2.7Å; G688-F691 PolarHBondContact O-N 3.41Å; G688-G692 PolarHBondContact O-N 3.42Å; G688-A738 WeakPolarHBondContact CA-O 3.3Å
689	S	96.8	Very high	92.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.8	-37.3	174	-54.6	0	0	0	0	112.9	Y663 G667 P686 A687 G692 L693	Y663-S689 WeakPolarHBondContact O-CB 3.39Å; Y663-S689 PolarHBondContact O-OG 2.82Å; G667-S689 WeakPolarHBondContact CA-OG 2.96Å; P686-S689 CarbonylContact O-C 3.6Å; P686-S689 WeakPolarHBondContact O-CA 3.31Å; P686-S689 VanDerWaalsContact O-CB 3.3Å; P686-S689 WeakPolarHBondContact O-CB 3.39Å; P686-S689 PolarHBondContact O-N 2.02Å; A687-S689 VanDerWaalsContact C-N 3.32Å; A687-S689 PolarHBondContact O-N 3.35Å; S689-G692 PolarHBondContact O-N 3.4Å; S689-L693 WeakPolarHBondContact O-CG 3.19Å; S689-L693 PolarHBondContact O-N 2.91Å
690	Q	96.6	Very high	92.8	Very high	21 Å²	21	11.4 Å²	11.4	10%	0.098	6%	0.061	C	C	.	.	H	α-helix	trans	-65.9	-42.4	176.6	-67.1	178.1	36.2	0	0	111.1	S639 F642 P686 A687 G692 L693 L694	S639-Q690 PolarHBondContact OG-NE2 2.61Å; F642-Q690 HydrophobicContact CD1-CB 3.99Å; F642-Q690 HydrophobicContact CD1-CG 3.59Å; F642-Q690 HydrophobicContact CE1-CB 3.72Å; F642-Q690 HydrophobicContact CE1-CG 3.77Å; F642-Q690 HydrophobicContact CE2-CB 4.38Å; F642-Q690 HydrophobicContact CG-CB 4.44Å; F642-Q690 HydrophobicContact CG-CG 4.15Å; F642-Q690 HydrophobicContact CZ-CB 3.93Å; F642-Q690 HydrophobicContact CZ-CG 4.45Å; F642-Q690 WeakPolarHBondContact CZ-O 3Å; P686-Q690 WeakPolarHBondContact O-CG 3.45Å; P686-Q690 PolarHBondContact O-N 3.1Å; A687-Q690 WeakPolarHBondContact O-CB 2.92Å; A687-Q690 PolarHBondContact O-N 2.87Å; A687-Q690 VanDerWaalsContact O-N 3.1Å; Q690-G692 VanDerWaalsContact C-N 3.33Å; Q690-L693 CarbonylContact O-C 3.56Å; Q690-L693 WeakPolarHBondContact O-CB 3.44Å; Q690-L693 PolarHBondContact O-N 2.83Å; Q690-L694 WeakPolarHBondContact O-CG 3.01Å; Q690-L694 PolarHBondContact O-N 2.86Å
691	F	96.2	Very high	93.1	Very high	13 Å²	13	9.1 Å²	9.1	6%	0.057	5%	0.052	C	C	.	.	H	α-helix	trans	-66.2	-33.9	172.3	-85.5	-102.3	0	0	0	112.4	A687 G688 L693 L694 A695 L725 F726 H739 F743	A687-F691 WeakPolarHBondContact O-CD2 3.32Å; A687-F691 PolarHBondContact O-N 3Å; G688-F691 PolarHBondContact O-N 3.41Å; F691-L693 VanDerWaalsContact C-N 3.34Å; F691-L693 PolarHBondContact O-N 3.21Å; F691-L694 HydrophobicContact CD1-CD1 4.35Å; F691-L694 HydrophobicContact CG-CD1 4.41Å; F691-L694 WeakPolarHBondContact O-CB 3.21Å; F691-L694 PolarHBondContact O-N 2.9Å; F691-L694 VanDerWaalsContact O-N 3.14Å; F691-A695 PolarHBondContact O-N 3.08Å; F691-L725 HydrophobicContact CE1-CB 4.21Å; F691-L725 HydrophobicContact CZ-CB 3.79Å; F691-F726 AromaticContact CD1-CE1 3.94Å; F691-F726 HydrophobicContact CD1-CE1 3.94Å; F691-F726 HydrophobicContact CD1-CE2 4.23Å; F691-F726 AromaticContact CD1-CZ 3.7Å; F691-F726 HydrophobicContact CD1-CZ 3.7Å; F691-F726 AromaticContact CE1-CD1 3.91Å; F691-F726 HydrophobicContact CE1-CD1 3.91Å; F691-F726 HydrophobicContact CE1-CD2 4.24Å; F691-F726 AromaticContact CE1-CE1 3.65Å; F691-F726 HydrophobicContact CE1-CE1 3.65Å; F691-F726 AromaticContact CE1-CE2 4Å; F691-F726 HydrophobicContact CE1-CE2 4Å; F691-F726 HydrophobicContact CE1-CG 4.19Å; F691-F726 AromaticContact CE1-CZ 3.69Å; F691-F726 HydrophobicContact CE1-CZ 3.69Å; F691-F726 HydrophobicContact CZ-CE1 4.5Å; F691-H739 HydrophobicContact CB-CB 4.49Å; F691-H739 WeakPolarHBondContact CB-O 3.4Å; F691-H739 HydrophobicContact CD1-CB 3.85Å; F691-H739 HydrophobicContact CD2-CB 3.87Å; F691-H739 AromaticContact CD2-CD2 3.34Å; F691-H739 WeakPolarHBondContact CD2-CD2 3.41Å; F691-H739 AromaticContact CD2-CG 3.59Å; F691-H739 AromaticContact CD2-NE2 3.85Å; F691-H739 HydrophobicContact CE1-CB 3.92Å; F691-H739 HydrophobicContact CE2-CB 3.94Å; F691-H739 AromaticContact CE2-CD2 3.34Å; F691-H739 WeakPolarHBondContact CE2-CD2 3.41Å; F691-H739 AromaticContact CE2-CE1 3.56Å; F691-H739 AromaticContact CE2-CG 3.37Å; F691-H739 AromaticContact CE2-ND1 3.53Å; F691-H739 AromaticContact CE2-NE2 3.45Å; F691-H739 WeakPolarHBondContact CE2-NE2 3.46Å; F691-H739 HydrophobicContact CG-CB 3.81Å; F691-H739 HydrophobicContact CZ-CB 3.94Å; F691-H739 AromaticContact CZ-CE1 3.99Å; F691-H739 AromaticContact CZ-CG 3.68Å; F691-H739 AromaticContact CZ-ND1 3.61Å; F691-F743 HydrophobicContact CB-CB 4.29Å; F691-F743 WeakPolarHBondContact O-CD2 3.11Å
692	G	96.9	Very high	93.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.2	-37.1	169.4	0	0	0	0	0	113.7	G688 S689 Q690 A695 C696 G742	G688-G692 PolarHBondContact O-N 3.42Å; S689-G692 PolarHBondContact O-N 3.4Å; Q690-G692 VanDerWaalsContact C-N 3.33Å; G692-A695 WeakPolarHBondContact O-CB 3.33Å; G692-A695 PolarHBondContact O-N 2.03Å; G692-C696 PolarHBondContact O-N 3.12Å; G692-G742 VanDerWaalsContact CA-O 3.28Å; G692-G742 WeakPolarHBondContact CA-O 3.48Å
693	L	96.7	Very high	93.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-72	-28.4	171.1	-67.4	173.4	0	0	0	113.1	F642 L647 L650 I659 Y663 S689 Q690 F691 C696 L697	F642-L693 HydrophobicContact CE1-CB 4.13Å; F642-L693 HydrophobicContact CE1-CD1 3.87Å; F642-L693 HydrophobicContact CZ-CB 4.22Å; L647-L693 HydrophobicContact CB-CD1 3.8Å; L647-L693 HydrophobicContact CD1-CD1 3.84Å; L647-L693 HydrophobicContact CD1-CD2 4.19Å; L647-L693 HydrophobicContact CD2-CD1 4.48Å; L647-L693 HydrophobicContact CG-CD1 4.21Å; L650-L693 HydrophobicContact CD1-CB 3.99Å; L650-L693 HydrophobicContact CD1-CD2 3.82Å; L650-L693 HydrophobicContact CD1-CG 4.44Å; I659-L693 HydrophobicContact CG2-CD2 4.15Å; Y663-L693 HydrophobicContact CD2-CD1 3.8Å; Y663-L693 HydrophobicContact CD2-CG 4.36Å; Y663-L693 HydrophobicContact CE2-CD1 4.38Å; S689-L693 WeakPolarHBondContact O-CG 3.19Å; S689-L693 PolarHBondContact O-N 2.91Å; Q690-L693 CarbonylContact O-C 3.56Å; Q690-L693 WeakPolarHBondContact O-CB 3.44Å; Q690-L693 PolarHBondContact O-N 2.83Å; F691-L693 VanDerWaalsContact C-N 3.34Å; F691-L693 PolarHBondContact O-N 3.21Å; L693-C696 VanDerWaalsContact O-CB 3.3Å; L693-C696 WeakPolarHBondContact O-CB 3.38Å; L693-C696 PolarHBondContact O-N 3.01Å; L693-L697 PolarHBondContact O-N 3.45Å
694	L	95.6	Very high	93.3	Very high	11 Å²	11	10.3 Å²	10.3	6%	0.058	5%	0.054	C	C	.	.	H	α-helix	trans	-66.6	-39.7	169.2	-69.3	172.2	0	0	0	110.9	F642 Q690 F691 C696 L697 F698 V722 L725 F743	F642-L694 HydrophobicContact CE2-CD1 4.37Å; F642-L694 HydrophobicContact CE2-CD2 3.9Å; F642-L694 HydrophobicContact CE2-CG 4.01Å; F642-L694 HydrophobicContact CZ-CD2 4.19Å; F642-L694 HydrophobicContact CZ-CG 4.05Å; Q690-L694 WeakPolarHBondContact O-CG 3.01Å; Q690-L694 PolarHBondContact O-N 2.86Å; F691-L694 HydrophobicContact CD1-CD1 4.35Å; F691-L694 HydrophobicContact CG-CD1 4.41Å; F691-L694 WeakPolarHBondContact O-CB 3.21Å; F691-L694 PolarHBondContact O-N 2.9Å; F691-L694 VanDerWaalsContact O-N 3.14Å; L694-C696 VanDerWaalsContact C-N 3.31Å; L694-C696 PolarHBondContact O-N 3.14Å; L694-L697 HydrophobicContact CD2-CD1 4.07Å; L694-L697 WeakPolarHBondContact O-CB 3.23Å; L694-L697 PolarHBondContact O-N 3.43Å; L694-L697 VanDerWaalsContact O-N 3.13Å; L694-F698 WeakPolarHBondContact O-CD2 3.43Å; L694-F698 PolarHBondContact O-N 2.85Å; L694-V722 HydrophobicContact CB-CG2 4.24Å; L694-V722 HydrophobicContact CD1-CG2 4.24Å; L694-L725 HydrophobicContact CD1-CD1 3.6Å; L694-F743 HydrophobicContact CB-CE2 4.48Å
695	A	96.1	Very high	93.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.4	-36.7	172.3	0	0	0	0	0	112.6	F691 G692 L697 F698 V699 F743 L747	F691-A695 PolarHBondContact O-N 3.08Å; G692-A695 WeakPolarHBondContact O-CB 3.33Å; G692-A695 PolarHBondContact O-N 2.03Å; A695-L697 PolarHBondContact O-N 3.04Å; A695-F698 WeakPolarHBondContact O-CA 3.44Å; A695-F698 WeakPolarHBondContact O-CB 3.34Å; A695-F698 PolarHBondContact O-N 3.46Å; A695-V699 PolarHBondContact O-N 3.13Å; A695-F743 HydrophobicContact CB-CD1 4.24Å; A695-F743 HydrophobicContact CB-CD2 3.75Å; A695-F743 HydrophobicContact CB-CE1 4.25Å; A695-F743 HydrophobicContact CB-CE2 3.76Å; A695-F743 HydrophobicContact CB-CG 3.99Å; A695-F743 HydrophobicContact CB-CZ 4.02Å; A695-F743 VanDerWaalsContact CB-O 3.22Å; A695-F743 WeakPolarHBondContact CB-O 3.28Å; A695-L747 HydrophobicContact CB-CB 3.92Å; A695-L747 HydrophobicContact CB-CD1 4.22Å
696	C	94.9	Very high	92.7	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-55.9	-36	171.7	-177.9	0	0	0	0	112.8	L650 G692 L693 L694 F698 V699 E700 S750	L650-C696 HydrophobicContact CD1-CB 4.01Å; G692-C696 PolarHBondContact O-N 3.12Å; L693-C696 VanDerWaalsContact O-CB 3.3Å; L693-C696 WeakPolarHBondContact O-CB 3.38Å; L693-C696 PolarHBondContact O-N 3.01Å; L694-C696 VanDerWaalsContact C-N 3.31Å; L694-C696 PolarHBondContact O-N 3.14Å; C696-F698 VanDerWaalsContact C-N 3.34Å; C696-V699 PolarHBondContact O-N 2.92Å; C696-E700 WeakPolarHBondContact O-CB 3.32Å; C696-E700 PolarHBondContact O-N 2.86Å; C696-S750 VanDerWaalsContact CA-OG 3.32Å; C696-S750 WeakPolarHBondContact CA-OG 3.46Å; C696-S750 WeakPolarHBondContact CB-OG 3.48Å
697	L	92.9	Very high	92	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-71.6	-25.1	175.3	-63.5	167.8	0	0	0	113.4	V350 V646 L650 L693 L694 A695 L701 L718	V350-L697 HydrophobicContact CB-CD1 4.39Å; V350-L697 HydrophobicContact CB-CD2 4.46Å; V350-L697 HydrophobicContact CG1-CD1 4.31Å; V350-L697 HydrophobicContact CG2-CD1 3.94Å; V350-L697 HydrophobicContact CG2-CD2 4.44Å; V646-L697 HydrophobicContact CG1-CD1 3.94Å; V646-L697 HydrophobicContact CG1-CG 4.49Å; L650-L697 HydrophobicContact CD2-CD2 3.81Å; L650-L697 HydrophobicContact CD2-CG 4.48Å; L650-L697 HydrophobicContact CG-CD2 4.31Å; L693-L697 PolarHBondContact O-N 3.45Å; L694-L697 HydrophobicContact CD2-CD1 4.07Å; L694-L697 WeakPolarHBondContact O-CB 3.23Å; L694-L697 PolarHBondContact O-N 3.43Å; L694-L697 VanDerWaalsContact O-N 3.13Å; A695-L697 PolarHBondContact O-N 3.04Å; L697-L701 WeakPolarHBondContact O-CB 3.42Å; L697-L701 PolarHBondContact O-N 2.6Å; L697-L701 VanDerWaalsContact O-N 3.16Å; L697-L718 HydrophobicContact CB-CD1 4.43Å; L697-L718 HydrophobicContact CB-CD2 4.06Å; L697-L718 HydrophobicContact CD1-CD1 4.44Å
698	F	93.5	Very high	91.6	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.039	8%	0.084	C	C	.	.	H	α-helix	trans	-72.9	-43.7	169.6	-80.2	-90.2	0	0	0	111.1	L694 A695 C696 E700 L701 F702 F715 L718 L719 V722 F743 L747	L694-F698 WeakPolarHBondContact O-CD2 3.43Å; L694-F698 PolarHBondContact O-N 2.85Å; A695-F698 WeakPolarHBondContact O-CA 3.44Å; A695-F698 WeakPolarHBondContact O-CB 3.34Å; A695-F698 PolarHBondContact O-N 3.46Å; C696-F698 VanDerWaalsContact C-N 3.34Å; F698-E700 VanDerWaalsContact C-N 3.34Å; F698-E700 PolarHBondContact O-N 3.19Å; F698-L701 WeakPolarHBondContact O-CB 3.44Å; F698-L701 PolarHBondContact O-N 2.81Å; F698-L701 VanDerWaalsContact O-N 3.14Å; F698-F702 HydrophobicContact CB-CD2 4.32Å; F698-F702 HydrophobicContact CB-CE2 3.97Å; F698-F702 HydrophobicContact CD1-CE2 4.33Å; F698-F702 HydrophobicContact CD1-CZ 4.3Å; F698-F702 WeakPolarHBondContact O-CD2 3.5Å; F698-F702 WeakPolarHBondContact O-CG 3.19Å; F698-F702 PolarHBondContact O-N 3.14Å; F698-F715 HydrophobicContact CD1-CD2 4.06Å; F698-F715 AromaticContact CD1-CE2 3.84Å; F698-F715 HydrophobicContact CD1-CE2 3.84Å; F698-F715 AromaticContact CE1-CD2 3.88Å; F698-F715 HydrophobicContact CE1-CD2 3.88Å; F698-F715 AromaticContact CE1-CE2 3.62Å; F698-F715 HydrophobicContact CE1-CE2 3.62Å; F698-F715 HydrophobicContact CE1-CZ 4.5Å; F698-L718 HydrophobicContact CD1-CD2 4.03Å; F698-L718 HydrophobicContact CD2-CD2 3.69Å; F698-L718 HydrophobicContact CD2-CG 4.15Å; F698-L718 HydrophobicContact CE1-CB 4.46Å; F698-L718 HydrophobicContact CE1-CD2 4.04Å; F698-L718 HydrophobicContact CE1-CG 4.21Å; F698-L718 HydrophobicContact CE2-CD2 3.69Å; F698-L718 HydrophobicContact CE2-CG 3.63Å; F698-L718 HydrophobicContact CG-CD2 3.86Å; F698-L718 HydrophobicContact CZ-CB 4.16Å; F698-L718 HydrophobicContact CZ-CD2 3.88Å; F698-L718 HydrophobicContact CZ-CG 3.67Å; F698-L719 HydrophobicContact CE1-CB 4.47Å; F698-L719 HydrophobicContact CZ-CB 4.37Å; F698-V722 HydrophobicContact CE2-CB 4.48Å; F698-V722 HydrophobicContact CE2-CG2 3.86Å; F698-V722 HydrophobicContact CZ-CG2 4.44Å; F698-F743 AromaticContact CD2-CE2 3.88Å; F698-F743 HydrophobicContact CD2-CE2 3.88Å; F698-F743 AromaticContact CD2-CZ 3.7Å; F698-F743 HydrophobicContact CD2-CZ 3.7Å; F698-F743 AromaticContact CE2-CE2 3.93Å; F698-F743 HydrophobicContact CE2-CE2 3.93Å; F698-F743 AromaticContact CE2-CZ 3.87Å; F698-F743 HydrophobicContact CE2-CZ 3.87Å; F698-F743 HydrophobicContact CG-CZ 4.36Å; F698-L747 HydrophobicContact CB-CD1 4.45Å
699	V	93.4	Very high	91.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-42.9	175.7	-179	0	0	0	0	110.9	A695 C696 L701 F702 Q703 L747 F751 L754	A695-V699 PolarHBondContact O-N 3.13Å; C696-V699 PolarHBondContact O-N 2.92Å; V699-L701 VanDerWaalsContact C-N 3.29Å; V699-L701 PolarHBondContact O-N 3.4Å; V699-F702 PolarHBondContact O-N 3.35Å; V699-Q703 HydrophobicContact CG1-CG 4.22Å; V699-Q703 WeakPolarHBondContact O-CB 3.28Å; V699-Q703 WeakPolarHBondContact O-CG 3.38Å; V699-Q703 PolarHBondContact O-N 2.78Å; V699-L747 HydrophobicContact CG2-CD1 3.8Å; V699-F751 HydrophobicContact CB-CE1 4.4Å; V699-F751 HydrophobicContact CG1-CD1 3.65Å; V699-F751 HydrophobicContact CG1-CE1 3.78Å; V699-F751 HydrophobicContact CG1-CG 4.19Å; V699-F751 HydrophobicContact CG1-CZ 4.44Å; V699-F751 HydrophobicContact CG2-CD1 4.12Å; V699-F751 HydrophobicContact CG2-CD2 3.87Å; V699-F751 HydrophobicContact CG2-CE1 4.05Å; V699-F751 HydrophobicContact CG2-CE2 3.79Å; V699-F751 HydrophobicContact CG2-CG 4.03Å; V699-F751 HydrophobicContact CG2-CZ 3.88Å; V699-L754 HydrophobicContact CB-CD1 3.93Å; V699-L754 HydrophobicContact CG1-CD1 3.76Å
700	E	89.9	Confident	90.7	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-56	-42.2	172.5	-174.2	-179.1	-164	0	0	112	R343 Y345 G346 L653 C696 F698 G704	R343-E700 IonicContact CZ-OE1 3.36Å; R343-E700 IonicContact CZ-OE2 2.85Å; R343-E700 IonicContact NH1-OE1 3.03Å; R343-E700 PolarHBondContact NH1-OE1 3.37Å; R343-E700 IonicContact NH1-OE2 3.38Å; R343-E700 IonicContact NH2-OE1 3.63Å; R343-E700 PolarHBondContact NH2-OE1 3.34Å; R343-E700 VanDerWaalsContact NH2-OE1 3.13Å; R343-E700 IonicContact NH2-OE2 3Å; R343-E700 PolarHBondContact NH2-OE2 2.91Å; Y345-E700 HydrophobicContact CD1-CG 4.46Å; Y345-E700 HydrophobicContact CE1-CG 4.14Å; G346-E700 WeakPolarHBondContact CA-OE1 3.48Å; G346-E700 PolarHBondContact N-OE1 3.1Å; L653-E700 HydrophobicContact CD2-CG 4.46Å; C696-E700 WeakPolarHBondContact O-CB 3.32Å; C696-E700 PolarHBondContact O-N 2.86Å; F698-E700 VanDerWaalsContact C-N 3.34Å; F698-E700 PolarHBondContact O-N 3.19Å; E700-G704 PolarHBondContact O-N 2.83Å
701	L	89.8	Confident	90.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-42.6	176.8	172.3	62.5	0	0	0	113	L697 F698 V699 G704 W705 L708 A714 F715 L718	L697-L701 WeakPolarHBondContact O-CB 3.42Å; L697-L701 PolarHBondContact O-N 2.6Å; L697-L701 VanDerWaalsContact O-N 3.16Å; F698-L701 WeakPolarHBondContact O-CB 3.44Å; F698-L701 PolarHBondContact O-N 2.81Å; F698-L701 VanDerWaalsContact O-N 3.14Å; V699-L701 VanDerWaalsContact C-N 3.29Å; V699-L701 PolarHBondContact O-N 3.4Å; L701-G704 CarbonylContact O-C 3.6Å; L701-G704 PolarHBondContact O-N 3.16Å; L701-W705 HydrophobicContact CD1-CE3 4.41Å; L701-W705 HydrophobicContact CD2-CZ3 4.46Å; L701-W705 HydrophobicContact CG-CE3 4.21Å; L701-W705 HydrophobicContact CG-CZ3 4.27Å; L701-W705 PolarHBondContact O-N 3.3Å; L701-W705 VanDerWaalsContact O-N 3.07Å; L701-L708 HydrophobicContact CD1-CD1 3.47Å; L701-L708 VanDerWaalsContact CD1-CD1 3.47Å; L701-A714 HydrophobicContact CD1-CB 4Å; L701-F715 HydrophobicContact CD2-CB 3.87Å; L701-F715 HydrophobicContact CD2-CD2 4.14Å; L701-L718 HydrophobicContact CD2-CD2 4.4Å
702	F	89.9	Confident	90	Very high	83 Å²	83	35.8 Å²	35.8	36%	0.364	16%	0.157	S	C	.	.	H	α-helix	trans	-68.9	-38.9	179	-66.8	-48.8	0	0	0	111.9	F698 V699 W705 F715 F751	F698-F702 HydrophobicContact CB-CD2 4.32Å; F698-F702 HydrophobicContact CB-CE2 3.97Å; F698-F702 HydrophobicContact CD1-CE2 4.33Å; F698-F702 HydrophobicContact CD1-CZ 4.3Å; F698-F702 WeakPolarHBondContact O-CD2 3.5Å; F698-F702 WeakPolarHBondContact O-CG 3.19Å; F698-F702 PolarHBondContact O-N 3.14Å; V699-F702 PolarHBondContact O-N 3.35Å; F702-W705 AromaticContact CD1-CE3 3.9Å; F702-W705 HydrophobicContact CD1-CE3 3.9Å; F702-W705 AromaticContact CD1-CZ3 3.94Å; F702-W705 HydrophobicContact CD1-CZ3 3.94Å; F702-W705 HydrophobicContact CE1-CE3 4.44Å; F702-W705 HydrophobicContact CE1-CZ3 4.01Å; F702-W705 WeakPolarHBondContact O-CB 3.41Å; F702-W705 PolarHBondContact O-N 3.02Å; F702-F715 HydrophobicContact CE1-CD2 4.07Å; F702-F715 AromaticContact CE1-CE2 4Å; F702-F715 HydrophobicContact CE1-CE2 4Å; F702-F715 HydrophobicContact CZ-CD2 4.23Å; F702-F715 AromaticContact CZ-CE2 3.78Å; F702-F715 HydrophobicContact CZ-CE2 3.78Å; F702-F751 HydrophobicContact CD2-CZ 4.16Å
703	Q	87.1	Confident	89.6	Confident	19 Å²	19	42.6 Å²	42.6	9%	0.089	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-40	173.3	-67.9	-167.7	39.1	0	0	111.8	Y345 V699 W705 P755 Y756	Y345-Q703 HydrophobicContact CE1-CB 4.39Å; Y345-Q703 PolarHBondContact OH-OE1 3.39Å; V699-Q703 HydrophobicContact CG1-CG 4.22Å; V699-Q703 WeakPolarHBondContact O-CB 3.28Å; V699-Q703 WeakPolarHBondContact O-CG 3.38Å; V699-Q703 PolarHBondContact O-N 2.78Å; Q703-W705 VanDerWaalsContact C-N 3.28Å; Q703-W705 PolarHBondContact O-N 3.45Å; Q703-P755 PolarHBondContact OE1-O 2.04Å; Q703-Y756 HydrophobicContact CG-CD1 4.15Å; Q703-Y756 HydrophobicContact CG-CE1 3.94Å
704	G	83.9	Confident	89.2	Confident	3 Å²	3	43 Å²	43	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	1.9	176.8	0	0	0	0	0	115.7	E700 L701 Q706 M707 L708	E700-G704 PolarHBondContact O-N 2.83Å; L701-G704 CarbonylContact O-C 3.6Å; L701-G704 PolarHBondContact O-N 3.16Å; G704-Q706 VanDerWaalsContact C-N 3.29Å; G704-Q706 PolarHBondContact O-N 2.7Å; G704-Q706 VanDerWaalsContact O-N 3.17Å; G704-M707 PolarHBondContact O-N 2.74Å; G704-L708 PolarHBondContact O-N 3.02Å
705	W	87.8	Confident	89	Confident	89 Å²	89	44.6 Å²	44.6	34%	0.337	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.2	-166.6	-164.2	-83	0	0	0	114.1	L701 F702 Q703 P711 F715	L701-W705 HydrophobicContact CD1-CE3 4.41Å; L701-W705 HydrophobicContact CD2-CZ3 4.46Å; L701-W705 HydrophobicContact CG-CE3 4.21Å; L701-W705 HydrophobicContact CG-CZ3 4.27Å; L701-W705 PolarHBondContact O-N 3.3Å; L701-W705 VanDerWaalsContact O-N 3.07Å; F702-W705 AromaticContact CD1-CE3 3.9Å; F702-W705 HydrophobicContact CD1-CE3 3.9Å; F702-W705 AromaticContact CD1-CZ3 3.94Å; F702-W705 HydrophobicContact CD1-CZ3 3.94Å; F702-W705 HydrophobicContact CE1-CE3 4.44Å; F702-W705 HydrophobicContact CE1-CZ3 4.01Å; F702-W705 WeakPolarHBondContact O-CB 3.41Å; F702-W705 PolarHBondContact O-N 3.02Å; Q703-W705 VanDerWaalsContact C-N 3.28Å; Q703-W705 PolarHBondContact O-N 3.45Å; W705-P711 HydrophobicContact CD2-CB 3.61Å; W705-P711 HydrophobicContact CD2-CG 4.19Å; W705-P711 HydrophobicContact CE3-CB 3.96Å; W705-P711 HydrophobicContact CG-CB 3.95Å; W705-P711 HydrophobicContact CG-CG 4.27Å; W705-P711 HydrophobicContact CH2-CB 4.46Å; W705-P711 HydrophobicContact CZ2-CB 4.13Å; W705-P711 HydrophobicContact CZ2-CG 4.38Å; W705-P711 HydrophobicContact CZ3-CB 4.38Å; W705-F715 HydrophobicContact CH2-CB 3.97Å; W705-F715 HydrophobicContact CH2-CG 4.29Å; W705-F715 HydrophobicContact CZ3-CB 3.97Å; W705-F715 HydrophobicContact CZ3-CD2 4.33Å; W705-F715 HydrophobicContact CZ3-CG 4.33Å
706	Q	85	Confident	88.8	Confident	122 Å²	122	48.3 Å²	48.3	57%	0.57	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.5	177.3	-68.1	-175.7	-22.4	0	0	113.9	G704	G704-Q706 VanDerWaalsContact C-N 3.29Å; G704-Q706 PolarHBondContact O-N 2.7Å; G704-Q706 VanDerWaalsContact O-N 3.17Å
707	M	81.4	Confident	88.6	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-20.6	-177.1	-60.4	173.5	67.4	0	0	113	Y358 R359 L362 V366 L370 G704 V757 F759	Y358-M707 CarbonylContact C-O 3.39Å; Y358-M707 WeakPolarHBondContact CA-O 3.12Å; Y358-M707 HydrophobicContact CD1-CB 4.28Å; Y358-M707 HydrophobicContact CE1-CE 4.28Å; R359-M707 PolarHBondContact N-O 3.49Å; L362-M707 HydrophobicContact CD1-CE 4.17Å; L362-M707 HydrophobicContact CD2-CB 4.08Å; L362-M707 HydrophobicContact CD2-CG 4.23Å; V366-M707 HydrophobicContact CG1-CE 3.74Å; V366-M707 HydrophobicContact CG1-CG 4.33Å; V366-M707 HydrophobicContact CG1-SD 4.04Å; L370-M707 HydrophobicContact CD2-CE 4Å; G704-M707 PolarHBondContact O-N 2.74Å; M707-V757 HydrophobicContact SD-CG1 4.42Å; M707-F759 HydrophobicContact CG-CE1 4.23Å; M707-F759 HydrophobicContact CG-CZ 3.96Å; M707-F759 HydrophobicContact SD-CZ 4.07Å
708	L	84	Confident	88.5	Confident	13 Å²	13	53.2 Å²	53.2	7%	0.068	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-85.6	142.9	-176.1	-70.4	167.2	0	0	0	112	R356 L701 G704 P711	R356-L708 HydrophobicContact CB-CD2 4.18Å; L701-L708 HydrophobicContact CD1-CD1 3.47Å; L701-L708 VanDerWaalsContact CD1-CD1 3.47Å; G704-L708 PolarHBondContact O-N 3.02Å; L708-P711 HydrophobicContact CB-CB 4.24Å
709	E	85.4	Confident	88.5	Confident	96 Å²	96	55.4 Å²	55.4	45%	0.449	25%	0.249	S	C	.	.	S	Bend	trans	-69.2	-35.8	179.2	-162.5	-147.6	167.5	0	0	112.6	N357	N357-E709 PolarHBondContact O-N 3.28Å
710	K	86.8	Confident	88.6	Confident	109 Å²	109	57.3 Å²	57.3	47%	0.474	27%	0.268	S	S	.	.	S	Bend	trans	-140.2	58.7	-171.3	-60.6	-175.2	-179.7	101.2	0	112.2	W712 K713 A714	K710-W712 PolarHBondContact O-N 3.14Å; K710-K713 HydrophobicContact CB-CB 4.49Å; K710-K713 PolarHBondContact O-N 3.15Å; K710-A714 PolarHBondContact O-N 3.13Å
711	P	87.3	Confident	88.7	Confident	23 Å²	23	59 Å²	59	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-38.6	-168.7	24.4	-34.6	0	0	0	113.7	W705 L708 K713 A714 F715	W705-P711 HydrophobicContact CD2-CB 3.61Å; W705-P711 HydrophobicContact CD2-CG 4.19Å; W705-P711 HydrophobicContact CE3-CB 3.96Å; W705-P711 HydrophobicContact CG-CB 3.95Å; W705-P711 HydrophobicContact CG-CG 4.27Å; W705-P711 HydrophobicContact CH2-CB 4.46Å; W705-P711 HydrophobicContact CZ2-CB 4.13Å; W705-P711 HydrophobicContact CZ2-CG 4.38Å; W705-P711 HydrophobicContact CZ3-CB 4.38Å; L708-P711 HydrophobicContact CB-CB 4.24Å; P711-K713 VanDerWaalsContact C-N 3.34Å; P711-K713 PolarHBondContact O-N 3.34Å; P711-A714 CarbonylContact O-C 3.52Å; P711-A714 WeakPolarHBondContact O-CA 3.42Å; P711-A714 WeakPolarHBondContact O-CB 3.16Å; P711-A714 PolarHBondContact O-N 2.02Å; P711-F715 PolarHBondContact O-N 3.28Å
712	W	90.9	Very high	88.8	Confident	164 Å²	164	59.3 Å²	59.3	62%	0.621	28%	0.281	S	S	*	.	H	α-helix	trans	-65.2	-34.3	-180	-161.2	77.1	0	0	0	113.3	K710 A714 F715 L716	K710-W712 PolarHBondContact O-N 3.14Å; W712-A714 VanDerWaalsContact C-N 3.33Å; W712-F715 PolarHBondContact O-N 3.31Å; W712-L716 HydrophobicContact CD2-CD1 4.3Å; W712-L716 HydrophobicContact CD2-CG 4.32Å; W712-L716 HydrophobicContact CE3-CD1 3.78Å; W712-L716 HydrophobicContact CE3-CG 4.26Å; W712-L716 HydrophobicContact CH2-CD1 3.59Å; W712-L716 HydrophobicContact CH2-CG 4.33Å; W712-L716 HydrophobicContact CZ2-CD1 4.09Å; W712-L716 HydrophobicContact CZ2-CD2 4.36Å; W712-L716 HydrophobicContact CZ2-CG 4.34Å; W712-L716 HydrophobicContact CZ3-CD1 3.4Å; W712-L716 VanDerWaalsContact CZ3-CD1 3.4Å; W712-L716 HydrophobicContact CZ3-CG 4.28Å; W712-L716 PolarHBondContact O-N 2.72Å
713	K	89.3	Confident	89	Confident	143 Å²	143	60.3 Å²	60.3	62%	0.622	29%	0.29	S	S	*	.	H	α-helix	trans	-69.2	-32.8	172	-62.8	-165.3	179.5	-169.8	0	111.8	K710 P711 K717	K710-K713 HydrophobicContact CB-CB 4.49Å; K710-K713 PolarHBondContact O-N 3.15Å; P711-K713 VanDerWaalsContact C-N 3.34Å; P711-K713 PolarHBondContact O-N 3.34Å; K713-K717 WeakPolarHBondContact O-CG 3.42Å; K713-K717 PolarHBondContact O-N 3.41Å
714	A	87.6	Confident	89.3	Confident	8 Å²	8	65.4 Å²	65.4	7%	0.066	31%	0.312	C	S	.	.	H	α-helix	trans	-72.4	-31.7	174.3	0	0	0	0	0	112.7	R356 L701 K710 P711 W712 L718	R356-A714 HydrophobicContact CG-CB 3.96Å; L701-A714 HydrophobicContact CD1-CB 4Å; K710-A714 PolarHBondContact O-N 3.13Å; P711-A714 CarbonylContact O-C 3.52Å; P711-A714 WeakPolarHBondContact O-CA 3.42Å; P711-A714 WeakPolarHBondContact O-CB 3.16Å; P711-A714 PolarHBondContact O-N 2.02Å; W712-A714 VanDerWaalsContact C-N 3.33Å; A714-L718 PolarHBondContact O-N 2.85Å
715	F	91.6	Very high	89.6	Confident	45 Å²	45	68.1 Å²	68.1	20%	0.197	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-56	172.3	178.1	-101.9	0	0	0	111.6	F698 L701 F702 W705 P711 W712 K717 L718 L719	F698-F715 HydrophobicContact CD1-CD2 4.06Å; F698-F715 AromaticContact CD1-CE2 3.84Å; F698-F715 HydrophobicContact CD1-CE2 3.84Å; F698-F715 AromaticContact CE1-CD2 3.88Å; F698-F715 HydrophobicContact CE1-CD2 3.88Å; F698-F715 AromaticContact CE1-CE2 3.62Å; F698-F715 HydrophobicContact CE1-CE2 3.62Å; F698-F715 HydrophobicContact CE1-CZ 4.5Å; L701-F715 HydrophobicContact CD2-CB 3.87Å; L701-F715 HydrophobicContact CD2-CD2 4.14Å; F702-F715 HydrophobicContact CE1-CD2 4.07Å; F702-F715 AromaticContact CE1-CE2 4Å; F702-F715 HydrophobicContact CE1-CE2 4Å; F702-F715 HydrophobicContact CZ-CD2 4.23Å; F702-F715 AromaticContact CZ-CE2 3.78Å; F702-F715 HydrophobicContact CZ-CE2 3.78Å; W705-F715 HydrophobicContact CH2-CB 3.97Å; W705-F715 HydrophobicContact CH2-CG 4.29Å; W705-F715 HydrophobicContact CZ3-CB 3.97Å; W705-F715 HydrophobicContact CZ3-CD2 4.33Å; W705-F715 HydrophobicContact CZ3-CG 4.33Å; P711-F715 PolarHBondContact O-N 3.28Å; W712-F715 PolarHBondContact O-N 3.31Å; F715-K717 VanDerWaalsContact C-N 3.28Å; F715-K717 PolarHBondContact O-N 3.22Å; F715-L718 PolarHBondContact O-N 2.99Å; F715-L719 HydrophobicContact CE1-CD2 3.82Å; F715-L719 HydrophobicContact CZ-CD2 4.11Å; F715-L719 WeakPolarHBondContact O-CB 3.2Å; F715-L719 PolarHBondContact O-N 3.39Å
716	L	92.1	Very high	89.7	Confident	79 Å²	79	65.8 Å²	65.8	41%	0.414	32%	0.318	S	S	.	.	H	α-helix	trans	-57.3	-38.4	-178.3	-77.1	-172.2	0	0	0	113.4	W712 G720	W712-L716 HydrophobicContact CD2-CD1 4.3Å; W712-L716 HydrophobicContact CD2-CG 4.32Å; W712-L716 HydrophobicContact CE3-CD1 3.78Å; W712-L716 HydrophobicContact CE3-CG 4.26Å; W712-L716 HydrophobicContact CH2-CD1 3.59Å; W712-L716 HydrophobicContact CH2-CG 4.33Å; W712-L716 HydrophobicContact CZ2-CD1 4.09Å; W712-L716 HydrophobicContact CZ2-CD2 4.36Å; W712-L716 HydrophobicContact CZ2-CG 4.34Å; W712-L716 HydrophobicContact CZ3-CD1 3.4Å; W712-L716 VanDerWaalsContact CZ3-CD1 3.4Å; W712-L716 HydrophobicContact CZ3-CG 4.28Å; W712-L716 PolarHBondContact O-N 2.72Å; L716-G720 PolarHBondContact O-N 3.23Å
717	K	91.1	Very high	89.9	Confident	103 Å²	103	65.5 Å²	65.5	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-66.8	-43.1	175.8	-68.2	-178.9	-177.7	-174.3	0	112.4	L354 K713 F715 G720 V721	L354-K717 HydrophobicContact CB-CD 4.42Å; L354-K717 HydrophobicContact CD2-CB 3.56Å; L354-K717 HydrophobicContact CD2-CD 3.88Å; L354-K717 HydrophobicContact CD2-CG 4.39Å; L354-K717 PolarHBondContact O-NZ 3.36Å; K713-K717 WeakPolarHBondContact O-CG 3.42Å; K713-K717 PolarHBondContact O-N 3.41Å; F715-K717 VanDerWaalsContact C-N 3.28Å; F715-K717 PolarHBondContact O-N 3.22Å; K717-G720 PolarHBondContact O-N 2.72Å; K717-V721 WeakPolarHBondContact O-CG2 3.48Å; K717-V721 PolarHBondContact O-N 3.37Å; K717-V721 VanDerWaalsContact O-N 3.11Å
718	L	90.9	Very high	90.1	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-40.2	179.1	-173.1	66	0	0	0	111.1	V350 L354 L697 F698 L701 A714 F715 V721 V722	V350-L718 HydrophobicContact CG1-CD1 4.27Å; L354-L718 HydrophobicContact CD1-CB 4.17Å; L354-L718 HydrophobicContact CD1-CD1 4.45Å; L697-L718 HydrophobicContact CB-CD1 4.43Å; L697-L718 HydrophobicContact CB-CD2 4.06Å; L697-L718 HydrophobicContact CD1-CD1 4.44Å; F698-L718 HydrophobicContact CD1-CD2 4.03Å; F698-L718 HydrophobicContact CD2-CD2 3.69Å; F698-L718 HydrophobicContact CD2-CG 4.15Å; F698-L718 HydrophobicContact CE1-CB 4.46Å; F698-L718 HydrophobicContact CE1-CD2 4.04Å; F698-L718 HydrophobicContact CE1-CG 4.21Å; F698-L718 HydrophobicContact CE2-CD2 3.69Å; F698-L718 HydrophobicContact CE2-CG 3.63Å; F698-L718 HydrophobicContact CG-CD2 3.86Å; F698-L718 HydrophobicContact CZ-CB 4.16Å; F698-L718 HydrophobicContact CZ-CD2 3.88Å; F698-L718 HydrophobicContact CZ-CG 3.67Å; L701-L718 HydrophobicContact CD2-CD2 4.4Å; A714-L718 PolarHBondContact O-N 2.85Å; F715-L718 PolarHBondContact O-N 2.99Å; L718-V721 PolarHBondContact O-N 3.21Å; L718-V722 PolarHBondContact O-N 3.37Å
719	L	94	Very high	90.1	Very high	55 Å²	55	67 Å²	67	29%	0.288	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-45.9	172.3	-178.7	61.8	0	0	0	111.7	F698 F715 V721 V722 L723	F698-L719 HydrophobicContact CE1-CB 4.47Å; F698-L719 HydrophobicContact CZ-CB 4.37Å; F715-L719 HydrophobicContact CE1-CD2 3.82Å; F715-L719 HydrophobicContact CZ-CD2 4.11Å; F715-L719 WeakPolarHBondContact O-CB 3.2Å; F715-L719 PolarHBondContact O-N 3.39Å; L719-V721 VanDerWaalsContact C-N 3.26Å; L719-V721 PolarHBondContact O-N 3.26Å; L719-V722 PolarHBondContact O-N 3.36Å; L719-L723 HydrophobicContact CD1-CD1 4.13Å; L719-L723 HydrophobicContact CD1-CG 4.07Å; L719-L723 HydrophobicContact CG-CD1 3.87Å; L719-L723 HydrophobicContact CG-CG 4.25Å; L719-L723 WeakPolarHBondContact O-CB 3.46Å; L719-L723 VanDerWaalsContact O-CG 3.3Å; L719-L723 WeakPolarHBondContact O-CG 3.45Å; L719-L723 PolarHBondContact O-N 2.95Å
720	G	94.2	Very high	89.9	Confident	39 Å²	39	64 Å²	64	40%	0.402	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-35.3	176.3	0	0	0	0	0	113.4	L716 K717 F724	L716-G720 PolarHBondContact O-N 3.23Å; K717-G720 PolarHBondContact O-N 2.72Å; G720-F724 VanDerWaalsContact O-CB 3.29Å; G720-F724 WeakPolarHBondContact O-CB 3Å; G720-F724 PolarHBondContact O-N 3.5Å
721	V	91.7	Very high	89.5	Confident	41 Å²	41	63.1 Å²	63.1	25%	0.248	32%	0.317	C	S	.	.	H	α-helix	trans	-70.1	-44.5	174.4	171.8	0	0	0	0	111.7	W353 K717 L718 L719 F724 L725	W353-V721 HydrophobicContact CH2-CG2 3.66Å; W353-V721 HydrophobicContact CZ3-CG2 3.81Å; K717-V721 WeakPolarHBondContact O-CG2 3.48Å; K717-V721 PolarHBondContact O-N 3.37Å; K717-V721 VanDerWaalsContact O-N 3.11Å; L718-V721 PolarHBondContact O-N 3.21Å; L719-V721 VanDerWaalsContact C-N 3.26Å; L719-V721 PolarHBondContact O-N 3.26Å; V721-F724 PolarHBondContact O-N 2.88Å; V721-L725 HydrophobicContact CG1-CD1 4.13Å; V721-L725 WeakPolarHBondContact O-CG 3.46Å; V721-L725 PolarHBondContact O-N 3.16Å
722	V	93.3	Very high	88.5	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.036	32%	0.318	C	S	.	.	H	α-helix	trans	-67.8	-39.4	178	168.5	0	0	0	0	111.9	L694 F698 L718 L719 F724 L725 F726 F743	L694-V722 HydrophobicContact CB-CG2 4.24Å; L694-V722 HydrophobicContact CD1-CG2 4.24Å; F698-V722 HydrophobicContact CE2-CB 4.48Å; F698-V722 HydrophobicContact CE2-CG2 3.86Å; F698-V722 HydrophobicContact CZ-CG2 4.44Å; L718-V722 PolarHBondContact O-N 3.37Å; L719-V722 PolarHBondContact O-N 3.36Å; V722-F724 VanDerWaalsContact C-N 3.34Å; V722-F724 PolarHBondContact O-N 3.49Å; V722-L725 PolarHBondContact O-N 3.44Å; V722-F726 HydrophobicContact CG1-CD2 3.61Å; V722-F726 HydrophobicContact CG1-CE2 3.38Å; V722-F726 HydrophobicContact CG1-CZ 4.49Å; V722-F726 VanDerWaalsContact O-CD2 3.23Å; V722-F726 WeakPolarHBondContact O-CD2 3.01Å; V722-F726 PolarHBondContact O-N 3.05Å; V722-F743 HydrophobicContact CG1-CE2 4.21Å; V722-F743 HydrophobicContact CG2-CE2 4.45Å
723	L	93.4	Very high	87.6	Confident	104 Å²	104	58.6 Å²	58.6	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-39.5	172.1	-70.4	173.9	0	0	0	112	L719 F726 L727	L719-L723 HydrophobicContact CD1-CD1 4.13Å; L719-L723 HydrophobicContact CD1-CG 4.07Å; L719-L723 HydrophobicContact CG-CD1 3.87Å; L719-L723 HydrophobicContact CG-CG 4.25Å; L719-L723 WeakPolarHBondContact O-CB 3.46Å; L719-L723 VanDerWaalsContact O-CG 3.3Å; L719-L723 WeakPolarHBondContact O-CG 3.45Å; L719-L723 PolarHBondContact O-N 2.95Å; L723-F726 PolarHBondContact O-N 2.69Å; L723-L727 VanDerWaalsContact O-CB 3.29Å; L723-L727 WeakPolarHBondContact O-CB 3.34Å; L723-L727 PolarHBondContact O-N 3.44Å
724	F	92.7	Very high	87.3	Confident	125 Å²	125	53.4 Å²	53.4	55%	0.548	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-41.5	173.2	175.8	-98.5	0	0	0	112.1	G720 V721 V722 L727 C728	G720-F724 VanDerWaalsContact O-CB 3.29Å; G720-F724 WeakPolarHBondContact O-CB 3Å; G720-F724 PolarHBondContact O-N 3.5Å; V721-F724 PolarHBondContact O-N 2.88Å; V722-F724 VanDerWaalsContact C-N 3.34Å; V722-F724 PolarHBondContact O-N 3.49Å; F724-L727 WeakPolarHBondContact O-CB 3.23Å; F724-L727 PolarHBondContact O-N 2.77Å; F724-C728 VanDerWaalsContact CZ-SG 3.57Å; F724-C728 PolarHBondContact O-N 3.23Å; F724-C728 PolarHBondContact O-SG 3.42Å
725	L	91.6	Very high	87.3	Confident	60 Å²	60	53.9 Å²	53.9	31%	0.314	28%	0.281	S	S	.	.	H	α-helix	trans	-66.2	-40.1	177.1	-70	169.9	0	0	0	112.4	F691 L694 V721 V722 C728 G729	F691-L725 HydrophobicContact CE1-CB 4.21Å; F691-L725 HydrophobicContact CZ-CB 3.79Å; L694-L725 HydrophobicContact CD1-CD1 3.6Å; V721-L725 HydrophobicContact CG1-CD1 4.13Å; V721-L725 WeakPolarHBondContact O-CG 3.46Å; V721-L725 PolarHBondContact O-N 3.16Å; V722-L725 PolarHBondContact O-N 3.44Å; L725-C728 PolarHBondContact O-N 3.38Å; L725-G729 PolarHBondContact O-N 2.74Å
726	F	89.6	Confident	87.3	Confident	41 Å²	41	52 Å²	52	18%	0.18	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-37.7	171.7	-78	-59.5	0	0	0	112.7	F691 V722 L723 G729 L730 N736 H739 I740 F743	F691-F726 AromaticContact CD1-CE1 3.94Å; F691-F726 HydrophobicContact CD1-CE1 3.94Å; F691-F726 HydrophobicContact CD1-CE2 4.23Å; F691-F726 AromaticContact CD1-CZ 3.7Å; F691-F726 HydrophobicContact CD1-CZ 3.7Å; F691-F726 AromaticContact CE1-CD1 3.91Å; F691-F726 HydrophobicContact CE1-CD1 3.91Å; F691-F726 HydrophobicContact CE1-CD2 4.24Å; F691-F726 AromaticContact CE1-CE1 3.65Å; F691-F726 HydrophobicContact CE1-CE1 3.65Å; F691-F726 AromaticContact CE1-CE2 4Å; F691-F726 HydrophobicContact CE1-CE2 4Å; F691-F726 HydrophobicContact CE1-CG 4.19Å; F691-F726 AromaticContact CE1-CZ 3.69Å; F691-F726 HydrophobicContact CE1-CZ 3.69Å; F691-F726 HydrophobicContact CZ-CE1 4.5Å; V722-F726 HydrophobicContact CG1-CD2 3.61Å; V722-F726 HydrophobicContact CG1-CE2 3.38Å; V722-F726 HydrophobicContact CG1-CZ 4.49Å; V722-F726 VanDerWaalsContact O-CD2 3.23Å; V722-F726 WeakPolarHBondContact O-CD2 3.01Å; V722-F726 PolarHBondContact O-N 3.05Å; L723-F726 PolarHBondContact O-N 2.69Å; F726-G729 CarbonylContact O-C 3.39Å; F726-G729 WeakPolarHBondContact O-CA 3.41Å; F726-G729 PolarHBondContact O-N 2.75Å; F726-G729 VanDerWaalsContact O-N 3.12Å; F726-L730 PolarHBondContact O-N 2.92Å; F726-N736 PolarHBondContact O-ND2 3.08Å; F726-N736 VanDerWaalsContact O-ND2 3.11Å; F726-H739 HydrophobicContact CD1-CB 4.16Å; F726-H739 HydrophobicContact CE1-CB 3.52Å; F726-H739 HydrophobicContact CZ-CB 4.41Å; F726-I740 HydrophobicContact CD1-CG1 4.28Å; F726-I740 HydrophobicContact CE1-CB 4.47Å; F726-I740 HydrophobicContact CE1-CG1 3.57Å; F726-I740 HydrophobicContact CZ-CG1 4.04Å; F726-F743 HydrophobicContact CZ-CB 4.46Å
727	L	88.9	Confident	87.3	Confident	115 Å²	115	48.3 Å²	48.3	60%	0.602	25%	0.253	S	S	*	.	H	α-helix	trans	-63.9	-42.2	174.7	-173.9	74.9	0	0	0	111.4	L723 F724 G729 L730	L723-L727 VanDerWaalsContact O-CB 3.29Å; L723-L727 WeakPolarHBondContact O-CB 3.34Å; L723-L727 PolarHBondContact O-N 3.44Å; F724-L727 WeakPolarHBondContact O-CB 3.23Å; F724-L727 PolarHBondContact O-N 2.77Å; L727-G729 VanDerWaalsContact C-N 3.29Å; L727-G729 PolarHBondContact O-N 3.3Å; L727-L730 HydrophobicContact CD1-CD1 4.23Å; L727-L730 PolarHBondContact O-N 3.28Å
728	C	86.6	Confident	87.4	Confident	46 Å²	46	43.6 Å²	43.6	31%	0.311	23%	0.234	S	C	.	.	H	α-helix	trans	-64.7	-32.8	170.5	-71.9	0	0	0	0	112.3	F724 L725 L730 L731	F724-C728 VanDerWaalsContact CZ-SG 3.57Å; F724-C728 PolarHBondContact O-N 3.23Å; F724-C728 PolarHBondContact O-SG 3.42Å; L725-C728 PolarHBondContact O-N 3.38Å; C728-L730 PolarHBondContact O-N 2.67Å; C728-L731 VanDerWaalsContact O-CB 3.31Å; C728-L731 WeakPolarHBondContact O-CB 3.44Å; C728-L731 WeakPolarHBondContact O-CD1 3.43Å; C728-L731 WeakPolarHBondContact O-CG 3.38Å; C728-L731 PolarHBondContact O-N 3.36Å
729	G	82.5	Confident	87.6	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-4	176.9	0	0	0	0	0	115.6	L725 F726 L727 N736	L725-G729 PolarHBondContact O-N 2.74Å; F726-G729 CarbonylContact O-C 3.39Å; F726-G729 WeakPolarHBondContact O-CA 3.41Å; F726-G729 PolarHBondContact O-N 2.75Å; F726-G729 VanDerWaalsContact O-N 3.12Å; L727-G729 VanDerWaalsContact C-N 3.29Å; L727-G729 PolarHBondContact O-N 3.3Å; G729-N736 VanDerWaalsContact C-ND2 3.26Å; G729-N736 WeakPolarHBondContact CA-OD1 3.48Å; G729-N736 PolarHBondContact O-ND2 2.79Å
730	L	81.9	Confident	87.6	Confident	33 Å²	33	44 Å²	44	17%	0.173	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.7	167.6	-63.4	169.4	0	0	0	113.1	F726 L727 C728 N736 L802 L805	F726-L730 PolarHBondContact O-N 2.92Å; L727-L730 HydrophobicContact CD1-CD1 4.23Å; L727-L730 PolarHBondContact O-N 3.28Å; C728-L730 PolarHBondContact O-N 2.67Å; L730-N736 WeakPolarHBondContact CD2-ND2 3.39Å; L730-N736 PolarHBondContact N-ND2 3.13Å; L730-L802 VanDerWaalsContact CD2-O 3.27Å; L730-L802 WeakPolarHBondContact CD2-O 3.08Å; L730-L805 HydrophobicContact CD1-CD1 3.97Å; L730-L805 HydrophobicContact CD1-CG 4.48Å; L730-L805 HydrophobicContact CD2-CG 4.35Å
731	L	78.4	Confident	87.7	Confident	90 Å²	90	44 Å²	44	47%	0.471	22%	0.224	S	C	.	.	S	Bend	trans	-68.6	149.2	167.7	-67.9	171.9	0	0	0	110	C728 I734 F811	C728-L731 VanDerWaalsContact O-CB 3.31Å; C728-L731 WeakPolarHBondContact O-CB 3.44Å; C728-L731 WeakPolarHBondContact O-CD1 3.43Å; C728-L731 WeakPolarHBondContact O-CG 3.38Å; C728-L731 PolarHBondContact O-N 3.36Å; L731-I734 HydrophobicContact CB-CD1 4.25Å; L731-F811 HydrophobicContact CD2-CZ 4.16Å
732	P	67.4	Low	87.9	Confident	26 Å²	26	42 Å²	42	17%	0.169	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	158.4	170.2	26.4	-35.5	0	0	0	110.8	I734 F811	P732-I734 PolarHBondContact O-N 3.49Å; P732-F811 VanDerWaalsContact CD-CE1 3.49Å; P732-F811 VanDerWaalsContact CD-CZ 3.41Å; P732-F811 HydrophobicContact CG-CE1 4.39Å; P732-F811 HydrophobicContact CG-CE2 4.25Å; P732-F811 HydrophobicContact CG-CZ 4.12Å
733	W	70.6	Confident	88.1	Confident	67 Å²	67	43.5 Å²	43.5	25%	0.254	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	7.4	-177.9	-38.4	95.3	0	0	0	116	Q430 F433 Y815	Q430-W733 HydrophobicContact CB-CH2 3.77Å; Q430-W733 HydrophobicContact CB-CZ3 4.14Å; Q430-W733 HydrophobicContact CG-CH2 3.88Å; Q430-W733 HydrophobicContact CG-CZ3 4.35Å; Q430-W733 VanDerWaalsContact OE1-CZ3 3.31Å; F433-W733 HydrophobicContact CD1-CG 4.45Å; F433-W733 HydrophobicContact CE1-CB 3.83Å; F433-W733 AromaticContact CE1-CD1 3.9Å; F433-W733 AromaticContact CE1-CG 4Å; F433-W733 HydrophobicContact CE1-CG 4Å; W733-Y815 WeakPolarHBondContact CZ3-OH 3.2Å
734	I	83.4	Confident	88.3	Confident	34 Å²	34	41.8 Å²	41.8	17%	0.174	21%	0.209	C	C	.	.			trans	-116.9	140.8	174	-54.5	-177.4	0	0	0	109.5	L731 P732 H739 T803	L731-I734 HydrophobicContact CB-CD1 4.25Å; P732-I734 PolarHBondContact O-N 3.49Å; I734-H739 WeakPolarHBondContact CG2-CE1 3.49Å; I734-T803 VanDerWaalsContact O-CG2 3.24Å; I734-T803 WeakPolarHBondContact O-CG2 3.44Å
735	D	88.2	Confident	88.6	Confident	17 Å²	17	35.8 Å²	35.8	9%	0.091	18%	0.183	C	C	.	.			trans	-104.4	91.3	-175.6	179.3	5.3	0	0	0	111.9	S674 I737 A738 H739	S674-D735 WeakPolarHBondContact CB-OD2 3.49Å; S674-D735 PolarHBondContact OG-OD2 3.06Å; D735-I737 PolarHBondContact O-N 3.05Å; D735-I737 WeakPolarHBondContact OD1-CA 3.34Å; D735-I737 WeakPolarHBondContact OD1-CB 3.32Å; D735-I737 PolarHBondContact OD1-N 3.26Å; D735-A738 HydrophobicContact CB-CB 4.42Å; D735-A738 PolarHBondContact OD1-N 3.06Å; D735-A738 WeakPolarHBondContact OD2-CB 3.36Å; D735-A738 PolarHBondContact OD2-N 3.01Å; D735-H739 PolarHBondContact O-CD2 2.99Å; D735-H739 PolarHBondContact O-N 3.1Å; D735-H739 PolarHBondContact O-ND1 3.36Å
736	N	90.9	Very high	88.9	Confident	5 Å²	5	33 Å²	33	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-19.9	172.7	-91.4	-13.5	0	0	0	114.1	F726 G729 L730 H739 I740 L802	F726-N736 PolarHBondContact O-ND2 3.08Å; F726-N736 VanDerWaalsContact O-ND2 3.11Å; G729-N736 VanDerWaalsContact C-ND2 3.26Å; G729-N736 WeakPolarHBondContact CA-OD1 3.48Å; G729-N736 PolarHBondContact O-ND2 2.79Å; L730-N736 WeakPolarHBondContact CD2-ND2 3.39Å; L730-N736 PolarHBondContact N-ND2 3.13Å; N736-H739 PolarHBondContact O-N 3.41Å; N736-H739 PolarHBondContact OD1-ND1 3.19Å; N736-I740 WeakPolarHBondContact O-CB 3.21Å; N736-I740 WeakPolarHBondContact O-CD1 3.25Å; N736-I740 WeakPolarHBondContact O-CG1 3.11Å; N736-I740 PolarHBondContact O-N 2.87Å; N736-L802 VanDerWaalsContact CB-O 3.28Å; N736-L802 WeakPolarHBondContact CB-O 3.33Å; N736-L802 PolarHBondContact ND2-O 3.07Å; N736-L802 VanDerWaalsContact ND2-O 3.16Å
737	I	91.3	Very high	89.2	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-74.5	-46.5	179.4	-67.3	178.4	0	0	0	109.6	A673 F677 L678 D735 H739 I740 F741 L799	A673-I737 HydrophobicContact CB-CG2 4.29Å; F677-I737 HydrophobicContact CB-CD1 3.74Å; F677-I737 HydrophobicContact CB-CG2 4.46Å; F677-I737 HydrophobicContact CD2-CG2 3.88Å; L678-I737 HydrophobicContact CD1-CD1 4.12Å; L678-I737 HydrophobicContact CG-CD1 4.09Å; D735-I737 PolarHBondContact O-N 3.05Å; D735-I737 WeakPolarHBondContact OD1-CA 3.34Å; D735-I737 WeakPolarHBondContact OD1-CB 3.32Å; D735-I737 PolarHBondContact OD1-N 3.26Å; I737-H739 VanDerWaalsContact C-N 3.26Å; I737-H739 PolarHBondContact O-N 3.41Å; I737-I740 PolarHBondContact O-N 3.22Å; I737-F741 HydrophobicContact CG2-CD2 3.98Å; I737-F741 HydrophobicContact CG2-CE2 4.28Å; I737-F741 WeakPolarHBondContact O-CD2 3.37Å; I737-F741 PolarHBondContact O-N 3.23Å; I737-L799 HydrophobicContact CD1-CB 4.21Å; I737-L799 HydrophobicContact CD1-CD2 4.37Å
738	A	93.6	Very high	89.6	Confident	4 Å²	4	29.1 Å²	29.1	3%	0.033	15%	0.149	C	C	.	.	H	α-helix	trans	-62.8	-33.2	170.2	0	0	0	0	0	112.4	G670 G688 D735 G742	G670-A738 WeakPolarHBondContact O-CA 3.31Å; G688-A738 WeakPolarHBondContact CA-O 3.3Å; D735-A738 HydrophobicContact CB-CB 4.42Å; D735-A738 PolarHBondContact OD1-N 3.06Å; D735-A738 WeakPolarHBondContact OD2-CB 3.36Å; D735-A738 PolarHBondContact OD2-N 3.01Å; A738-G742 VanDerWaalsContact O-CA 3.3Å; A738-G742 WeakPolarHBondContact O-CA 3.41Å; A738-G742 PolarHBondContact O-N 3.11Å
739	H	94.8	Very high	90.1	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.069	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-46.3	172.8	-62.6	165.3	0	0	0	112.8	A687 F691 F726 I734 D735 N736 I737 F743	A687-H739 WeakPolarHBondContact CB-NE2 3.32Å; F691-H739 HydrophobicContact CB-CB 4.49Å; F691-H739 WeakPolarHBondContact CB-O 3.4Å; F691-H739 HydrophobicContact CD1-CB 3.85Å; F691-H739 HydrophobicContact CD2-CB 3.87Å; F691-H739 AromaticContact CD2-CD2 3.34Å; F691-H739 WeakPolarHBondContact CD2-CD2 3.41Å; F691-H739 AromaticContact CD2-CG 3.59Å; F691-H739 AromaticContact CD2-NE2 3.85Å; F691-H739 HydrophobicContact CE1-CB 3.92Å; F691-H739 HydrophobicContact CE2-CB 3.94Å; F691-H739 AromaticContact CE2-CD2 3.34Å; F691-H739 WeakPolarHBondContact CE2-CD2 3.41Å; F691-H739 AromaticContact CE2-CE1 3.56Å; F691-H739 AromaticContact CE2-CG 3.37Å; F691-H739 AromaticContact CE2-ND1 3.53Å; F691-H739 AromaticContact CE2-NE2 3.45Å; F691-H739 WeakPolarHBondContact CE2-NE2 3.46Å; F691-H739 HydrophobicContact CG-CB 3.81Å; F691-H739 HydrophobicContact CZ-CB 3.94Å; F691-H739 AromaticContact CZ-CE1 3.99Å; F691-H739 AromaticContact CZ-CG 3.68Å; F691-H739 AromaticContact CZ-ND1 3.61Å; F726-H739 HydrophobicContact CD1-CB 4.16Å; F726-H739 HydrophobicContact CE1-CB 3.52Å; F726-H739 HydrophobicContact CZ-CB 4.41Å; I734-H739 WeakPolarHBondContact CG2-CE1 3.49Å; D735-H739 PolarHBondContact O-CD2 2.99Å; D735-H739 PolarHBondContact O-N 3.1Å; D735-H739 PolarHBondContact O-ND1 3.36Å; N736-H739 PolarHBondContact O-N 3.41Å; N736-H739 PolarHBondContact OD1-ND1 3.19Å; I737-H739 VanDerWaalsContact C-N 3.26Å; I737-H739 PolarHBondContact O-N 3.41Å; H739-F743 VanDerWaalsContact O-CB 3.24Å; H739-F743 WeakPolarHBondContact O-CB 3.22Å; H739-F743 PolarHBondContact O-N 3.13Å
740	I	94.8	Very high	90.8	Very high	52 Å²	52	27.2 Å²	27.2	27%	0.267	14%	0.136	S	C	.	.	H	α-helix	trans	-66.1	-53.4	-179.6	-71.6	164.7	0	0	0	110.3	F726 N736 I737 G742 F743 I744	F726-I740 HydrophobicContact CD1-CG1 4.28Å; F726-I740 HydrophobicContact CE1-CB 4.47Å; F726-I740 HydrophobicContact CE1-CG1 3.57Å; F726-I740 HydrophobicContact CZ-CG1 4.04Å; N736-I740 WeakPolarHBondContact O-CB 3.21Å; N736-I740 WeakPolarHBondContact O-CD1 3.25Å; N736-I740 WeakPolarHBondContact O-CG1 3.11Å; N736-I740 PolarHBondContact O-N 2.87Å; I737-I740 PolarHBondContact O-N 3.22Å; I740-G742 PolarHBondContact O-N 2.86Å; I740-F743 PolarHBondContact O-N 2.65Å; I740-I744 HydrophobicContact CG2-CD1 3.81Å; I740-I744 WeakPolarHBondContact O-CG1 3.5Å; I740-I744 PolarHBondContact O-N 2.76Å
741	F	96.1	Very high	91.4	Very high	39 Å²	39	27.5 Å²	27.5	17%	0.171	14%	0.136	C	C	.	.	H	α-helix	trans	-71.6	-30.3	-178	-78.7	-91.6	0	0	0	112.5	A673 F677 I737 I744 G745 L781 L785	A673-F741 HydrophobicContact CB-CB 3.55Å; A673-F741 HydrophobicContact CB-CD1 3.72Å; A673-F741 HydrophobicContact CB-CD2 3.54Å; A673-F741 HydrophobicContact CB-CE1 4.28Å; A673-F741 HydrophobicContact CB-CE2 4.13Å; A673-F741 HydrophobicContact CB-CG 3.3Å; A673-F741 HydrophobicContact CB-CZ 4.46Å; F677-F741 HydrophobicContact CE2-CE2 4.05Å; F677-F741 HydrophobicContact CE2-CZ 4.04Å; I737-F741 HydrophobicContact CG2-CD2 3.98Å; I737-F741 HydrophobicContact CG2-CE2 4.28Å; I737-F741 WeakPolarHBondContact O-CD2 3.37Å; I737-F741 PolarHBondContact O-N 3.23Å; F741-I744 PolarHBondContact O-N 3.09Å; F741-G745 PolarHBondContact O-N 2.75Å; F741-L781 HydrophobicContact CD1-CD1 4.41Å; F741-L781 HydrophobicContact CE1-CD1 4.26Å; F741-L785 HydrophobicContact CD1-CD1 4.1Å; F741-L785 HydrophobicContact CD1-CD2 4.48Å; F741-L785 HydrophobicContact CE1-CD1 4.49Å; F741-L785 HydrophobicContact CE1-CD2 4.2Å
742	G	97	Very high	92.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-41	169.2	0	0	0	0	0	112.8	S666 G692 A738 I740 G746	S666-G742 WeakPolarHBondContact CB-O 3.46Å; S666-G742 WeakPolarHBondContact O-CA 3.4Å; G692-G742 VanDerWaalsContact CA-O 3.28Å; G692-G742 WeakPolarHBondContact CA-O 3.48Å; A738-G742 VanDerWaalsContact O-CA 3.3Å; A738-G742 WeakPolarHBondContact O-CA 3.41Å; A738-G742 PolarHBondContact O-N 3.11Å; I740-G742 PolarHBondContact O-N 2.86Å; G742-G746 WeakPolarHBondContact O-CA 3.24Å; G742-G746 PolarHBondContact O-N 2.94Å
743	F	97.5	Very high	93.3	Very high	37 Å²	37	24.5 Å²	24.5	16%	0.162	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-46.4	172.3	-172.9	-86.6	0	0	0	111.6	F691 L694 A695 F698 V722 F726 H739 I740 G746 L747	F691-F743 HydrophobicContact CB-CB 4.29Å; F691-F743 WeakPolarHBondContact O-CD2 3.11Å; L694-F743 HydrophobicContact CB-CE2 4.48Å; A695-F743 HydrophobicContact CB-CD1 4.24Å; A695-F743 HydrophobicContact CB-CD2 3.75Å; A695-F743 HydrophobicContact CB-CE1 4.25Å; A695-F743 HydrophobicContact CB-CE2 3.76Å; A695-F743 HydrophobicContact CB-CG 3.99Å; A695-F743 HydrophobicContact CB-CZ 4.02Å; A695-F743 VanDerWaalsContact CB-O 3.22Å; A695-F743 WeakPolarHBondContact CB-O 3.28Å; F698-F743 AromaticContact CD2-CE2 3.88Å; F698-F743 HydrophobicContact CD2-CE2 3.88Å; F698-F743 AromaticContact CD2-CZ 3.7Å; F698-F743 HydrophobicContact CD2-CZ 3.7Å; F698-F743 AromaticContact CE2-CE2 3.93Å; F698-F743 HydrophobicContact CE2-CE2 3.93Å; F698-F743 AromaticContact CE2-CZ 3.87Å; F698-F743 HydrophobicContact CE2-CZ 3.87Å; F698-F743 HydrophobicContact CG-CZ 4.36Å; V722-F743 HydrophobicContact CG1-CE2 4.21Å; V722-F743 HydrophobicContact CG2-CE2 4.45Å; F726-F743 HydrophobicContact CZ-CB 4.46Å; H739-F743 VanDerWaalsContact O-CB 3.24Å; H739-F743 WeakPolarHBondContact O-CB 3.22Å; H739-F743 PolarHBondContact O-N 3.13Å; I740-F743 PolarHBondContact O-N 2.65Å; F743-G746 PolarHBondContact O-N 2.76Å; F743-L747 VanDerWaalsContact O-CB 3.31Å; F743-L747 WeakPolarHBondContact O-CB 3.03Å; F743-L747 PolarHBondContact O-N 2.8Å
744	I	97.6	Very high	94.3	Very high	68 Å²	68	21.6 Å²	21.6	35%	0.349	11%	0.11	S	C	.	.	H	α-helix	trans	-64.5	-50	179.3	-66.6	165.6	0	0	0	111.1	I740 F741 G746 L747 L748 L781	I740-I744 HydrophobicContact CG2-CD1 3.81Å; I740-I744 WeakPolarHBondContact O-CG1 3.5Å; I740-I744 PolarHBondContact O-N 2.76Å; F741-I744 PolarHBondContact O-N 3.09Å; I744-G746 VanDerWaalsContact C-N 3.34Å; I744-G746 PolarHBondContact O-N 3.09Å; I744-L747 WeakPolarHBondContact O-CB 3.49Å; I744-L747 PolarHBondContact O-N 2.03Å; I744-L748 HydrophobicContact CG2-CD1 4.23Å; I744-L748 WeakPolarHBondContact O-CG 3.12Å; I744-L748 PolarHBondContact O-N 2.91Å; I744-L748 VanDerWaalsContact O-N 3.09Å; I744-L781 HydrophobicContact CG2-CD2 3.78Å
745	G	97.6	Very high	94.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-43.8	176.6	0	0	0	0	0	111.9	F741 L747 L748 L749	F741-G745 PolarHBondContact O-N 2.75Å; G745-L747 PolarHBondContact O-N 3.28Å; G745-L748 PolarHBondContact O-N 2.89Å; G745-L749 WeakPolarHBondContact O-CB 3.35Å; G745-L749 WeakPolarHBondContact O-CD1 2.96Å; G745-L749 VanDerWaalsContact O-CG 3.25Å; G745-L749 WeakPolarHBondContact O-CG 3.22Å; G745-L749 PolarHBondContact O-N 2.72Å
746	G	97.3	Very high	94.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-34.3	175.5	0	0	0	0	0	113.9	G742 F743 I744 S750	G742-G746 WeakPolarHBondContact O-CA 3.24Å; G742-G746 PolarHBondContact O-N 2.94Å; F743-G746 PolarHBondContact O-N 2.76Å; I744-G746 VanDerWaalsContact C-N 3.34Å; I744-G746 PolarHBondContact O-N 3.09Å; G746-S750 WeakPolarHBondContact O-CB 3.39Å; G746-S750 PolarHBondContact O-N 3.35Å; G746-S750 PolarHBondContact O-OG 3.06Å
747	L	97.3	Very high	93.6	Very high	44 Å²	44	21.9 Å²	21.9	23%	0.23	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-50.1	173.8	-169.8	73.7	0	0	0	110.6	A695 F698 V699 F743 I744 G745 S750 F751	A695-L747 HydrophobicContact CB-CB 3.92Å; A695-L747 HydrophobicContact CB-CD1 4.22Å; F698-L747 HydrophobicContact CB-CD1 4.45Å; V699-L747 HydrophobicContact CG2-CD1 3.8Å; F743-L747 VanDerWaalsContact O-CB 3.31Å; F743-L747 WeakPolarHBondContact O-CB 3.03Å; F743-L747 PolarHBondContact O-N 2.8Å; I744-L747 WeakPolarHBondContact O-CB 3.49Å; I744-L747 PolarHBondContact O-N 2.03Å; G745-L747 PolarHBondContact O-N 3.28Å; L747-S750 PolarHBondContact O-N 3.09Å; L747-F751 HydrophobicContact CD1-CE2 4Å; L747-F751 HydrophobicContact CD2-CE2 4.46Å; L747-F751 HydrophobicContact CG-CD2 4.16Å; L747-F751 HydrophobicContact CG-CE2 3.88Å; L747-F751 VanDerWaalsContact O-CD2 3.26Å; L747-F751 WeakPolarHBondContact O-CD2 3.03Å; L747-F751 PolarHBondContact O-N 3.31Å
748	L	97.4	Very high	93.1	Very high	32 Å²	32	24 Å²	24	17%	0.168	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-44.1	-179.5	-65.3	169.5	0	0	0	112.1	I744 G745 S750 F751 A752 S774 F777 Y778 L781	I744-L748 HydrophobicContact CG2-CD1 4.23Å; I744-L748 WeakPolarHBondContact O-CG 3.12Å; I744-L748 PolarHBondContact O-N 2.91Å; I744-L748 VanDerWaalsContact O-N 3.09Å; G745-L748 PolarHBondContact O-N 2.89Å; L748-S750 VanDerWaalsContact C-N 3.34Å; L748-S750 PolarHBondContact O-N 2.63Å; L748-F751 PolarHBondContact O-N 2.86Å; L748-A752 PolarHBondContact O-N 3.5Å; L748-A752 VanDerWaalsContact O-N 3.07Å; L748-S774 VanDerWaalsContact CA-OG 3.28Å; L748-S774 WeakPolarHBondContact CA-OG 2.98Å; L748-S774 PolarHBondContact O-OG 2.98Å; L748-F777 HydrophobicContact CD1-CB 4.4Å; L748-F777 HydrophobicContact CD2-CB 4.09Å; L748-Y778 HydrophobicContact CB-CD2 4.33Å; L748-L781 HydrophobicContact CD1-CD2 4.09Å
749	L	97.1	Very high	92.4	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-38.9	174.4	-72	164.7	0	0	0	111.8	I662 F665 G745 A752 I753 Y778	I662-L749 HydrophobicContact CG1-CB 4.15Å; F665-L749 HydrophobicContact CB-CD1 3.56Å; F665-L749 HydrophobicContact CB-CD2 4.37Å; G745-L749 WeakPolarHBondContact O-CB 3.35Å; G745-L749 WeakPolarHBondContact O-CD1 2.96Å; G745-L749 VanDerWaalsContact O-CG 3.25Å; G745-L749 WeakPolarHBondContact O-CG 3.22Å; G745-L749 PolarHBondContact O-N 2.72Å; L749-A752 PolarHBondContact O-N 3.09Å; L749-A752 VanDerWaalsContact O-N 3.17Å; L749-I753 HydrophobicContact CB-CD1 4.4Å; L749-I753 HydrophobicContact CD2-CD1 4.04Å; L749-I753 WeakPolarHBondContact O-CB 3.32Å; L749-I753 WeakPolarHBondContact O-CG1 3.14Å; L749-I753 PolarHBondContact O-N 2.76Å; L749-Y778 HydrophobicContact CD1-CD2 4.2Å; L749-Y778 HydrophobicContact CD1-CE2 3.68Å; L749-Y778 HydrophobicContact CD2-CD1 3.94Å; L749-Y778 HydrophobicContact CD2-CD2 4.1Å; L749-Y778 HydrophobicContact CD2-CE1 3.95Å; L749-Y778 HydrophobicContact CD2-CE2 4.1Å; L749-Y778 HydrophobicContact CD2-CG 4.04Å; L749-Y778 HydrophobicContact CG-CD1 4.48Å; L749-Y778 HydrophobicContact CG-CD2 3.74Å; L749-Y778 HydrophobicContact CG-CE1 4.49Å; L749-Y778 HydrophobicContact CG-CE2 3.73Å; L749-Y778 HydrophobicContact CG-CG 4.15Å
750	S	96	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-39.5	177.7	-66.4	0	0	0	0	112.1	C696 G746 L747 L748 A752 L754	C696-S750 VanDerWaalsContact CA-OG 3.32Å; C696-S750 WeakPolarHBondContact CA-OG 3.46Å; C696-S750 WeakPolarHBondContact CB-OG 3.48Å; G746-S750 WeakPolarHBondContact O-CB 3.39Å; G746-S750 PolarHBondContact O-N 3.35Å; G746-S750 PolarHBondContact O-OG 3.06Å; L747-S750 PolarHBondContact O-N 3.09Å; L748-S750 VanDerWaalsContact C-N 3.34Å; L748-S750 PolarHBondContact O-N 2.63Å; S750-A752 VanDerWaalsContact C-N 3.32Å; S750-L754 VanDerWaalsContact O-CB 3.27Å; S750-L754 WeakPolarHBondContact O-CB 3.32Å; S750-L754 VanDerWaalsContact O-CG 3.29Å; S750-L754 WeakPolarHBondContact O-CG 3.4Å; S750-L754 PolarHBondContact O-N 2.77Å; S750-L754 VanDerWaalsContact O-N 3.13Å
751	F	94.6	Very high	91.3	Very high	39 Å²	39	31.6 Å²	31.6	17%	0.171	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-28.2	171.8	-79	-60.6	0	0	0	113.1	V699 F702 L747 L748 Y756 L770 I771 S774	V699-F751 HydrophobicContact CB-CE1 4.4Å; V699-F751 HydrophobicContact CG1-CD1 3.65Å; V699-F751 HydrophobicContact CG1-CE1 3.78Å; V699-F751 HydrophobicContact CG1-CG 4.19Å; V699-F751 HydrophobicContact CG1-CZ 4.44Å; V699-F751 HydrophobicContact CG2-CD1 4.12Å; V699-F751 HydrophobicContact CG2-CD2 3.87Å; V699-F751 HydrophobicContact CG2-CE1 4.05Å; V699-F751 HydrophobicContact CG2-CE2 3.79Å; V699-F751 HydrophobicContact CG2-CG 4.03Å; V699-F751 HydrophobicContact CG2-CZ 3.88Å; F702-F751 HydrophobicContact CD2-CZ 4.16Å; L747-F751 HydrophobicContact CD1-CE2 4Å; L747-F751 HydrophobicContact CD2-CE2 4.46Å; L747-F751 HydrophobicContact CG-CD2 4.16Å; L747-F751 HydrophobicContact CG-CE2 3.88Å; L747-F751 VanDerWaalsContact O-CD2 3.26Å; L747-F751 WeakPolarHBondContact O-CD2 3.03Å; L747-F751 PolarHBondContact O-N 3.31Å; L748-F751 PolarHBondContact O-N 2.86Å; F751-Y756 PolarHBondContact O-OH 3.34Å; F751-L770 HydrophobicContact CD1-CD2 3.83Å; F751-L770 HydrophobicContact CD1-CG 4.38Å; F751-L770 HydrophobicContact CE1-CD2 4.18Å; F751-I771 WeakPolarHBondContact O-CG1 3.42Å; F751-S774 WeakPolarHBondContact CB-OG 3.17Å
752	A	93.6	Very high	90.8	Very high	18 Å²	18	37.3 Å²	37.3	15%	0.149	20%	0.2	C	C	.	.	H	α-helix	trans	-78.4	-38.3	175.1	0	0	0	0	0	113.5	L748 L749 S750 L775	L748-A752 PolarHBondContact O-N 3.5Å; L748-A752 VanDerWaalsContact O-N 3.07Å; L749-A752 PolarHBondContact O-N 3.09Å; L749-A752 VanDerWaalsContact O-N 3.17Å; S750-A752 VanDerWaalsContact C-N 3.32Å; A752-L775 HydrophobicContact CB-CB 4.39Å
753	I	93.1	Very high	90.2	Very high	36 Å²	36	37.9 Å²	37.9	19%	0.185	20%	0.203	C	C	.	.	H	α-helix	trans	-110.1	-28.3	-160.6	-62.9	168	0	0	0	114.1	R658 I661 I662 L749	R658-I753 HydrophobicContact CB-CG2 3.67Å; R658-I753 WeakPolarHBondContact CD-O 3.02Å; R658-I753 HydrophobicContact CG-CG2 3.9Å; R658-I753 PolarHBondContact NH1-O 3.1Å; I661-I753 HydrophobicContact CB-CD1 4.33Å; I661-I753 HydrophobicContact CG2-CD1 3.58Å; I662-I753 HydrophobicContact CD1-CB 4.14Å; I662-I753 HydrophobicContact CD1-CG2 4.13Å; I662-I753 HydrophobicContact CG1-CB 4.28Å; I662-I753 HydrophobicContact CG1-CD1 4.07Å; I662-I753 HydrophobicContact CG1-CG2 4.36Å; L749-I753 HydrophobicContact CB-CD1 4.4Å; L749-I753 HydrophobicContact CD2-CD1 4.04Å; L749-I753 WeakPolarHBondContact O-CB 3.32Å; L749-I753 WeakPolarHBondContact O-CG1 3.14Å; L749-I753 PolarHBondContact O-N 2.76Å
754	L	90.1	Very high	89.7	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.031	22%	0.22	C	C	.	.	S	Bend	trans	-64.8	150.2	-173.9	-73.1	175.8	0	0	0	113.4	A654 I659 I662 V699 S750 Y756	A654-L754 HydrophobicContact CB-CD2 3.83Å; I659-L754 HydrophobicContact CD1-CD2 4.36Å; I662-L754 HydrophobicContact CD1-CD2 4.11Å; I662-L754 HydrophobicContact CD1-CG 4.31Å; V699-L754 HydrophobicContact CB-CD1 3.93Å; V699-L754 HydrophobicContact CG1-CD1 3.76Å; S750-L754 VanDerWaalsContact O-CB 3.27Å; S750-L754 WeakPolarHBondContact O-CB 3.32Å; S750-L754 VanDerWaalsContact O-CG 3.29Å; S750-L754 WeakPolarHBondContact O-CG 3.4Å; S750-L754 PolarHBondContact O-N 2.77Å; S750-L754 VanDerWaalsContact O-N 3.13Å; L754-Y756 WeakPolarHBondContact O-CD2 3.5Å; L754-Y756 WeakPolarHBondContact O-CE2 3.44Å
755	P	85.6	Confident	89.4	Confident	18 Å²	18	45.6 Å²	45.6	12%	0.117	23%	0.231	C	C	.	.			trans	-71.9	134.6	175	31.3	-35.3	0	0	0	111.5	Y345 F373 A654 Q703	Y345-P755 PolarHBondContact OH-O 3.16Å; F373-P755 HydrophobicContact CE1-CB 3.76Å; F373-P755 HydrophobicContact CE1-CG 3.87Å; F373-P755 HydrophobicContact CZ-CB 4.04Å; F373-P755 HydrophobicContact CZ-CG 4.43Å; A654-P755 HydrophobicContact CB-CG 4.23Å; Q703-P755 PolarHBondContact OE1-O 2.04Å
756	Y	82.7	Confident	89	Confident	39 Å²	39	52.2 Å²	52.2	15%	0.153	26%	0.256	C	S	.	.			trans	-105.3	129.5	-173.1	-80	-87.1	0	0	0	112.7	Q703 F751 L754 K767 I771	Q703-Y756 HydrophobicContact CG-CD1 4.15Å; Q703-Y756 HydrophobicContact CG-CE1 3.94Å; F751-Y756 PolarHBondContact O-OH 3.34Å; L754-Y756 WeakPolarHBondContact O-CD2 3.5Å; L754-Y756 WeakPolarHBondContact O-CE2 3.44Å; Y756-K767 HydrophobicContact CD1-CB 4.29Å; Y756-K767 HydrophobicContact CD1-CD 3.61Å; Y756-K767 HydrophobicContact CD1-CG 3.83Å; Y756-K767 HydrophobicContact CE1-CB 4.41Å; Y756-K767 HydrophobicContact CE1-CD 4.22Å; Y756-K767 HydrophobicContact CE1-CG 3.95Å; Y756-K767 HydrophobicContact CG-CD 4.28Å; Y756-I771 HydrophobicContact CD2-CD1 4.08Å; Y756-I771 HydrophobicContact CE2-CD1 3.73Å; Y756-I771 HydrophobicContact CE2-CG1 3.77Å
757	V	81.2	Confident	88.7	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.024	26%	0.261	C	S	.	.			trans	-76.2	138.7	161.3	-173.5	0	0	0	0	108.5	Y345 V366 F373 M707 F759 K767	Y345-V757 HydrophobicContact CD2-CG2 4.27Å; Y345-V757 HydrophobicContact CE2-CG2 4.22Å; Y345-V757 HydrophobicContact CG-CG2 4.49Å; V366-V757 HydrophobicContact CG1-CG1 4.27Å; F373-V757 HydrophobicContact CE2-CG2 4.03Å; M707-V757 HydrophobicContact SD-CG1 4.42Å; V757-F759 HydrophobicContact CG1-CE1 4.44Å; V757-F759 HydrophobicContact CG1-CE2 4.49Å; V757-F759 HydrophobicContact CG1-CZ 4.11Å; V757-K767 PolarHBondContact O-NZ 2.92Å
758	T	80.4	Confident	88.4	Confident	47 Å²	47	59 Å²	59	29%	0.288	28%	0.279	S	S	.	.			trans	-121.1	118.7	-172.6	56	0	0	0	0	112.5	Q369	Q369-T758 PolarHBondContact NE2-OG1 2.9Å; Q369-T758 PolarHBondContact OE1-OG1 3.44Å
759	F	79.1	Confident	88.2	Confident	69 Å²	69	61.3 Å²	61.3	30%	0.303	29%	0.291	S	S	.	.			trans	-90.6	-3.5	-176.2	-58.6	-82.1	0	0	0	114	V366 M707 V757 D763	V366-F759 HydrophobicContact CB-CE1 4.4Å; V366-F759 HydrophobicContact CG1-CE1 3.94Å; V366-F759 HydrophobicContact CG2-CD1 3.47Å; V366-F759 VanDerWaalsContact CG2-CD1 3.47Å; V366-F759 HydrophobicContact CG2-CE1 3.5Å; M707-F759 HydrophobicContact CG-CE1 4.23Å; M707-F759 HydrophobicContact CG-CZ 3.96Å; M707-F759 HydrophobicContact SD-CZ 4.07Å; V757-F759 HydrophobicContact CG1-CE1 4.44Å; V757-F759 HydrophobicContact CG1-CE2 4.49Å; V757-F759 HydrophobicContact CG1-CZ 4.11Å; F759-D763 WeakPolarHBondContact CD2-OD2 3.11Å; F759-D763 PolarHBondContact N-OD2 2.84Å; F759-D763 VanDerWaalsContact N-OD2 3.08Å
760	G	82.4	Confident	88	Confident	37 Å²	37	64.4 Å²	64.4	38%	0.381	31%	0.307	S	S	.	.	S	Bend	trans	171.7	178.9	177.2	0	0	0	0	0	113.6	D763 K764	G760-D763 PolarHBondContact O-N 3.16Å; G760-K764 PolarHBondContact O-N 3.34Å
761	T	84.1	Confident	87.9	Confident	124 Å²	124	66.9 Å²	66.9	76%	0.761	32%	0.32	S	S	*	.	H	α-helix	trans	-66.3	-47.8	179.5	47.8	0	0	0	0	112.6	D763 K764 Y765	T761-D763 PolarHBondContact O-N 2.97Å; T761-K764 WeakPolarHBondContact O-CB 3.36Å; T761-K764 PolarHBondContact O-N 2.95Å; T761-Y765 PolarHBondContact O-N 3.49Å
762	F	85.8	Confident	88	Confident	159 Å²	159	69.4 Å²	69.4	70%	0.697	34%	0.338	S	S	*	.	H	α-helix	trans	-57.7	-39.4	172.2	-178	-97.7	0	0	0	111.8	Y765 R766	F762-Y765 PolarHBondContact O-N 3.19Å; F762-R766 WeakPolarHBondContact O-CB 3.35Å; F762-R766 PolarHBondContact O-N 3.43Å
763	D	84.8	Confident	88.1	Confident	12 Å²	12	71.6 Å²	71.6	6%	0.064	35%	0.35	C	S	.	.	H	α-helix	trans	-69.5	-34.8	178.9	-167.2	52.4	0	0	0	112.4	F759 G760 T761 R766 K767	F759-D763 WeakPolarHBondContact CD2-OD2 3.11Å; F759-D763 PolarHBondContact N-OD2 2.84Å; F759-D763 VanDerWaalsContact N-OD2 3.08Å; G760-D763 PolarHBondContact O-N 3.16Å; T761-D763 PolarHBondContact O-N 2.97Å; D763-R766 IonicContact OD1-CZ 3.45Å; D763-R766 IonicContact OD1-NE 2.6Å; D763-R766 PolarHBondContact OD1-NE 3.18Å; D763-R766 IonicContact OD1-NH2 2.84Å; D763-R766 PolarHBondContact OD1-NH2 2.87Å; D763-K767 WeakPolarHBondContact O-CB 3.31Å; D763-K767 WeakPolarHBondContact O-CD 3.4Å; D763-K767 VanDerWaalsContact O-CG 3.32Å; D763-K767 WeakPolarHBondContact O-CG 3.49Å; D763-K767 PolarHBondContact O-N 3.18Å; D763-K767 IonicContact OD1-NZ 3.24Å; D763-K767 WeakPolarHBondContact OD2-CE 3.36Å; D763-K767 IonicContact OD2-NZ 3.82Å; D763-K767 PolarHBondContact OD2-NZ 3.47Å
764	K	86.5	Confident	88.2	Confident	117 Å²	117	70.2 Å²	70.2	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-40.7	170	-177.7	-178.1	-179.4	-179.9	0	111.7	G760 T761 R768	G760-K764 PolarHBondContact O-N 3.34Å; T761-K764 WeakPolarHBondContact O-CB 3.36Å; T761-K764 PolarHBondContact O-N 2.95Å; K764-R768 WeakPolarHBondContact O-CG 3.01Å; K764-R768 PolarHBondContact O-N 2.93Å; K764-R768 VanDerWaalsContact O-N 3.08Å
765	Y	90.1	Very high	88.5	Confident	151 Å²	151	74 Å²	74	59%	0.592	36%	0.363	S	S	*	.	H	α-helix	trans	-67.6	-48.4	175.4	-175	-114.3	0	0	0	112	T761 F762 K767 R768 I769	T761-Y765 PolarHBondContact O-N 3.49Å; F762-Y765 PolarHBondContact O-N 3.19Å; Y765-K767 VanDerWaalsContact C-N 3.27Å; Y765-K767 PolarHBondContact O-N 2.94Å; Y765-R768 WeakPolarHBondContact O-CB 3.49Å; Y765-R768 PolarHBondContact O-N 2.76Å; Y765-R768 VanDerWaalsContact O-N 3.08Å; Y765-I769 HydrophobicContact CD1-CD1 3.96Å; Y765-I769 HydrophobicContact CE1-CD1 3.48Å; Y765-I769 VanDerWaalsContact CE1-CD1 3.48Å; Y765-I769 HydrophobicContact CE1-CG1 4.43Å; Y765-I769 HydrophobicContact CE2-CD1 4.48Å; Y765-I769 PolarHBondContact O-N 2.97Å
766	R	90.6	Very high	89.1	Confident	139 Å²	139	77.9 Å²	77.9	53%	0.525	39%	0.386	S	S	.	.	H	α-helix	trans	-54.2	-41.6	174.5	-177.2	172.2	68.3	154.5	-0.8	112.5	F762 D763 I769 L770	F762-R766 WeakPolarHBondContact O-CB 3.35Å; F762-R766 PolarHBondContact O-N 3.43Å; D763-R766 IonicContact OD1-CZ 3.45Å; D763-R766 IonicContact OD1-NE 2.6Å; D763-R766 PolarHBondContact OD1-NE 3.18Å; D763-R766 IonicContact OD1-NH2 2.84Å; D763-R766 PolarHBondContact OD1-NH2 2.87Å; R766-I769 PolarHBondContact O-N 3.05Å; R766-L770 PolarHBondContact O-N 3.07Å
767	K	90.2	Very high	89.8	Confident	23 Å²	23	82.6 Å²	82.6	10%	0.1	41%	0.407	C	S	.	.	H	α-helix	trans	-70.9	-35.3	177.4	-76	164	174.7	167.2	0	113	Y756 V757 D763 Y765 L770 I771	Y756-K767 HydrophobicContact CD1-CB 4.29Å; Y756-K767 HydrophobicContact CD1-CD 3.61Å; Y756-K767 HydrophobicContact CD1-CG 3.83Å; Y756-K767 HydrophobicContact CE1-CB 4.41Å; Y756-K767 HydrophobicContact CE1-CD 4.22Å; Y756-K767 HydrophobicContact CE1-CG 3.95Å; Y756-K767 HydrophobicContact CG-CD 4.28Å; V757-K767 PolarHBondContact O-NZ 2.92Å; D763-K767 WeakPolarHBondContact O-CB 3.31Å; D763-K767 WeakPolarHBondContact O-CD 3.4Å; D763-K767 VanDerWaalsContact O-CG 3.32Å; D763-K767 WeakPolarHBondContact O-CG 3.49Å; D763-K767 PolarHBondContact O-N 3.18Å; D763-K767 IonicContact OD1-NZ 3.24Å; D763-K767 WeakPolarHBondContact OD2-CE 3.36Å; D763-K767 IonicContact OD2-NZ 3.82Å; D763-K767 PolarHBondContact OD2-NZ 3.47Å; Y765-K767 VanDerWaalsContact C-N 3.27Å; Y765-K767 PolarHBondContact O-N 2.94Å; K767-L770 PolarHBondContact O-N 2.81Å; K767-I771 WeakPolarHBondContact O-CD1 3.34Å; K767-I771 VanDerWaalsContact O-CG1 3.28Å; K767-I771 WeakPolarHBondContact O-CG1 3.35Å; K767-I771 PolarHBondContact O-N 2.92Å
768	R	91.5	Very high	90.6	Very high	163 Å²	163	83 Å²	83	62%	0.615	41%	0.409	S	S	*	.	H	α-helix	trans	-61.4	-45.4	170.4	-78.8	178.3	167.5	-172.3	-6.3	112.1	K764 Y765 I771 V772	K764-R768 WeakPolarHBondContact O-CG 3.01Å; K764-R768 PolarHBondContact O-N 2.93Å; K764-R768 VanDerWaalsContact O-N 3.08Å; Y765-R768 WeakPolarHBondContact O-CB 3.49Å; Y765-R768 PolarHBondContact O-N 2.76Å; Y765-R768 VanDerWaalsContact O-N 3.08Å; R768-I771 PolarHBondContact O-N 3.32Å; R768-V772 WeakPolarHBondContact O-CG2 3.49Å; R768-V772 PolarHBondContact O-N 3.45Å; R768-V772 VanDerWaalsContact O-N 3.15Å
769	I	93.4	Very high	91.4	Very high	81 Å²	81	84.4 Å²	84.4	42%	0.415	42%	0.417	S	S	.	.	H	α-helix	trans	-59.5	-48.1	174.4	-67.9	172.5	0	0	0	110.4	Y765 R766 I771 V772 V773	Y765-I769 HydrophobicContact CD1-CD1 3.96Å; Y765-I769 HydrophobicContact CE1-CD1 3.48Å; Y765-I769 VanDerWaalsContact CE1-CD1 3.48Å; Y765-I769 HydrophobicContact CE1-CG1 4.43Å; Y765-I769 HydrophobicContact CE2-CD1 4.48Å; Y765-I769 PolarHBondContact O-N 2.97Å; R766-I769 PolarHBondContact O-N 3.05Å; I769-I771 VanDerWaalsContact C-N 3.32Å; I769-I771 PolarHBondContact O-N 2.74Å; I769-V772 PolarHBondContact O-N 2.9Å; I769-V773 HydrophobicContact CG2-CG2 3.96Å; I769-V773 WeakPolarHBondContact O-CB 3.34Å; I769-V773 WeakPolarHBondContact O-CG2 3.09Å; I769-V773 PolarHBondContact O-N 2.91Å
770	L	92.7	Very high	92.3	Very high	70 Å²	70	83.1 Å²	83.1	37%	0.366	42%	0.423	S	S	.	.	H	α-helix	trans	-58.6	-41.1	179.8	-176.5	62.9	0	0	0	112.6	F751 R766 K767 S774	F751-L770 HydrophobicContact CD1-CD2 3.83Å; F751-L770 HydrophobicContact CD1-CG 4.38Å; F751-L770 HydrophobicContact CE1-CD2 4.18Å; R766-L770 PolarHBondContact O-N 3.07Å; K767-L770 PolarHBondContact O-N 2.81Å; L770-S774 WeakPolarHBondContact O-CB 3.33Å; L770-S774 PolarHBondContact O-N 3.14Å
771	I	93.9	Very high	93	Very high	53 Å²	53	83.2 Å²	83.2	27%	0.272	42%	0.415	S	S	.	.	H	α-helix	trans	-60.5	-50.6	175.6	-71.3	160.8	0	0	0	110.9	F751 Y756 K767 R768 I769 S774 L775	F751-I771 WeakPolarHBondContact O-CG1 3.42Å; Y756-I771 HydrophobicContact CD2-CD1 4.08Å; Y756-I771 HydrophobicContact CE2-CD1 3.73Å; Y756-I771 HydrophobicContact CE2-CG1 3.77Å; K767-I771 WeakPolarHBondContact O-CD1 3.34Å; K767-I771 VanDerWaalsContact O-CG1 3.28Å; K767-I771 WeakPolarHBondContact O-CG1 3.35Å; K767-I771 PolarHBondContact O-N 2.92Å; R768-I771 PolarHBondContact O-N 3.32Å; I769-I771 VanDerWaalsContact C-N 3.32Å; I769-I771 PolarHBondContact O-N 2.74Å; I771-S774 PolarHBondContact O-N 2.74Å; I771-L775 WeakPolarHBondContact O-CB 3.18Å; I771-L775 PolarHBondContact O-N 2.89Å
772	V	95.5	Very high	93.6	Very high	92 Å²	92	79.3 Å²	79.3	56%	0.558	39%	0.387	S	S	*	.	H	α-helix	trans	-64	-48.3	-178.5	174	0	0	0	0	111.1	R768 I769 S774 L775 V776	R768-V772 WeakPolarHBondContact O-CG2 3.49Å; R768-V772 PolarHBondContact O-N 3.45Å; R768-V772 VanDerWaalsContact O-N 3.15Å; I769-V772 PolarHBondContact O-N 2.9Å; V772-S774 PolarHBondContact O-N 3.4Å; V772-L775 PolarHBondContact O-N 2.95Å; V772-V776 WeakPolarHBondContact O-CG2 3.5Å; V772-V776 PolarHBondContact O-N 2.99Å
773	V	96.3	Very high	94.1	Very high	64 Å²	64	74.6 Å²	74.6	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-45.3	178.5	170.6	0	0	0	0	111	I769 L775 V776 F777	I769-V773 HydrophobicContact CG2-CG2 3.96Å; I769-V773 WeakPolarHBondContact O-CB 3.34Å; I769-V773 WeakPolarHBondContact O-CG2 3.09Å; I769-V773 PolarHBondContact O-N 2.91Å; V773-L775 VanDerWaalsContact C-N 3.35Å; V773-L775 PolarHBondContact O-N 3.08Å; V773-V776 PolarHBondContact O-N 2.92Å; V773-F777 HydrophobicContact CG1-CD2 3.68Å; V773-F777 HydrophobicContact CG1-CE2 3.7Å; V773-F777 VanDerWaalsContact O-CD2 3.31Å; V773-F777 WeakPolarHBondContact O-CD2 3.43Å; V773-F777 PolarHBondContact O-N 2.64Å
774	S	96	Very high	94.5	Very high	6 Å²	6	75.9 Å²	75.9	4%	0.042	38%	0.384	C	S	.	.	H	α-helix	trans	-65.7	-36.4	179.1	-165.9	0	0	0	0	112.6	L748 F751 L770 I771 V772 Y778	L748-S774 VanDerWaalsContact CA-OG 3.28Å; L748-S774 WeakPolarHBondContact CA-OG 2.98Å; L748-S774 PolarHBondContact O-OG 2.98Å; F751-S774 WeakPolarHBondContact CB-OG 3.17Å; L770-S774 WeakPolarHBondContact O-CB 3.33Å; L770-S774 PolarHBondContact O-N 3.14Å; I771-S774 PolarHBondContact O-N 2.74Å; V772-S774 PolarHBondContact O-N 3.4Å; S774-Y778 WeakPolarHBondContact O-CB 3.12Å; S774-Y778 PolarHBondContact O-N 3.19Å
775	L	96.1	Very high	94.9	Very high	86 Å²	86	70.3 Å²	70.3	45%	0.45	36%	0.36	S	S	.	.	H	α-helix	trans	-67.6	-42.9	174.6	-175.5	63.6	0	0	0	111.8	A752 I771 V772 V773 Y778 V779	A752-L775 HydrophobicContact CB-CB 4.39Å; I771-L775 WeakPolarHBondContact O-CB 3.18Å; I771-L775 PolarHBondContact O-N 2.89Å; V772-L775 PolarHBondContact O-N 2.95Å; V773-L775 VanDerWaalsContact C-N 3.35Å; V773-L775 PolarHBondContact O-N 3.08Å; L775-Y778 PolarHBondContact O-N 3.16Å; L775-V779 HydrophobicContact CD1-CG2 4.49Å; L775-V779 WeakPolarHBondContact O-CG2 3.2Å; L775-V779 PolarHBondContact O-N 2.86Å
776	V	97.5	Very high	95.1	Very high	99 Å²	99	65.1 Å²	65.1	60%	0.6	34%	0.344	S	S	*	.	H	α-helix	trans	-61.9	-45	175.2	170.3	0	0	0	0	111	V772 V773 Y778 V779 G780	V772-V776 WeakPolarHBondContact O-CG2 3.5Å; V772-V776 PolarHBondContact O-N 2.99Å; V773-V776 PolarHBondContact O-N 2.92Å; V776-Y778 VanDerWaalsContact C-N 3.35Å; V776-Y778 PolarHBondContact O-N 3.15Å; V776-V779 PolarHBondContact O-N 3.46Å; V776-G780 PolarHBondContact O-N 3.37Å
777	F	97.6	Very high	95.3	Very high	138 Å²	138	61.8 Å²	61.8	61%	0.605	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-37.8	174.5	-86.8	-67.4	0	0	0	112.8	L748 V773 L781	L748-F777 HydrophobicContact CD1-CB 4.4Å; L748-F777 HydrophobicContact CD2-CB 4.09Å; V773-F777 HydrophobicContact CG1-CD2 3.68Å; V773-F777 HydrophobicContact CG1-CE2 3.7Å; V773-F777 VanDerWaalsContact O-CD2 3.31Å; V773-F777 WeakPolarHBondContact O-CD2 3.43Å; V773-F777 PolarHBondContact O-N 2.64Å; F777-L781 VanDerWaalsContact O-CB 3.29Å; F777-L781 WeakPolarHBondContact O-CB 3.38Å; F777-L781 PolarHBondContact O-N 2.83Å
778	Y	97.9	Very high	95.4	Very high	14 Å²	14	65.3 Å²	65.3	6%	0.055	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-48.2	175.1	178.1	-96	0	0	0	112.1	F665 T669 L748 L749 S774 L775 V776 G780 L781 F782	F665-Y778 PolarHBondContact O-OH 3Å; T669-Y778 WeakPolarHBondContact OG1-CE2 3.31Å; T669-Y778 PolarHBondContact OG1-OH 3Å; L748-Y778 HydrophobicContact CB-CD2 4.33Å; L749-Y778 HydrophobicContact CD1-CD2 4.2Å; L749-Y778 HydrophobicContact CD1-CE2 3.68Å; L749-Y778 HydrophobicContact CD2-CD1 3.94Å; L749-Y778 HydrophobicContact CD2-CD2 4.1Å; L749-Y778 HydrophobicContact CD2-CE1 3.95Å; L749-Y778 HydrophobicContact CD2-CE2 4.1Å; L749-Y778 HydrophobicContact CD2-CG 4.04Å; L749-Y778 HydrophobicContact CG-CD1 4.48Å; L749-Y778 HydrophobicContact CG-CD2 3.74Å; L749-Y778 HydrophobicContact CG-CE1 4.49Å; L749-Y778 HydrophobicContact CG-CE2 3.73Å; L749-Y778 HydrophobicContact CG-CG 4.15Å; S774-Y778 WeakPolarHBondContact O-CB 3.12Å; S774-Y778 PolarHBondContact O-N 3.19Å; L775-Y778 PolarHBondContact O-N 3.16Å; V776-Y778 VanDerWaalsContact C-N 3.35Å; V776-Y778 PolarHBondContact O-N 3.15Å; Y778-G780 VanDerWaalsContact C-N 3.34Å; Y778-G780 PolarHBondContact O-N 3.15Å; Y778-L781 PolarHBondContact O-N 2.88Å; Y778-F782 HydrophobicContact CE1-CB 4.41Å; Y778-F782 WeakPolarHBondContact O-CB 3.47Å; Y778-F782 PolarHBondContact O-N 2.78Å
779	V	97.4	Very high	95.4	Very high	76 Å²	76	57.6 Å²	57.6	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-39	178.6	172.9	0	0	0	0	111.1	L775 V776 S783	L775-V779 HydrophobicContact CD1-CG2 4.49Å; L775-V779 WeakPolarHBondContact O-CG2 3.2Å; L775-V779 PolarHBondContact O-N 2.86Å; V776-V779 PolarHBondContact O-N 3.46Å; V779-S783 VanDerWaalsContact O-CB 3.26Å; V779-S783 WeakPolarHBondContact O-CB 3.41Å; V779-S783 PolarHBondContact O-N 3.34Å; V779-S783 PolarHBondContact O-OG 2.04Å
780	G	97.6	Very high	95.2	Very high	41 Å²	41	58.5 Å²	58.5	42%	0.423	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-48.2	173.6	0	0	0	0	0	112.7	V776 Y778 S784	V776-G780 PolarHBondContact O-N 3.37Å; Y778-G780 VanDerWaalsContact C-N 3.34Å; Y778-G780 PolarHBondContact O-N 3.15Å; G780-S784 VanDerWaalsContact O-CB 3.27Å; G780-S784 WeakPolarHBondContact O-CB 3.26Å; G780-S784 PolarHBondContact O-N 3Å
781	L	96.9	Very high	95	Very high	40 Å²	40	59.4 Å²	59.4	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-48.9	176.3	175.8	63.6	0	0	0	111.6	T669 F741 I744 L748 F777 Y778 S784 L785	T669-L781 HydrophobicContact CG2-CD2 4.33Å; F741-L781 HydrophobicContact CD1-CD1 4.41Å; F741-L781 HydrophobicContact CE1-CD1 4.26Å; I744-L781 HydrophobicContact CG2-CD2 3.78Å; L748-L781 HydrophobicContact CD1-CD2 4.09Å; F777-L781 VanDerWaalsContact O-CB 3.29Å; F777-L781 WeakPolarHBondContact O-CB 3.38Å; F777-L781 PolarHBondContact O-N 2.83Å; Y778-L781 PolarHBondContact O-N 2.88Å; L781-S784 PolarHBondContact O-N 2.9Å; L781-L785 HydrophobicContact CD1-CD1 4.2Å; L781-L785 HydrophobicContact CD1-CG 4.47Å; L781-L785 HydrophobicContact CG-CD1 4.26Å; L781-L785 WeakPolarHBondContact O-CG 3.35Å; L781-L785 PolarHBondContact O-N 2.88Å
782	F	96.6	Very high	94.6	Very high	42 Å²	42	64.6 Å²	64.6	18%	0.184	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-48.1	-178.3	-171.2	-100.9	0	0	0	111.7	L668 L672 Y778 S784 L785 V786	L668-F782 HydrophobicContact CD2-CE2 4Å; L668-F782 HydrophobicContact CD2-CZ 3.82Å; L668-F782 HydrophobicContact CG-CE2 3.93Å; L668-F782 HydrophobicContact CG-CZ 4.15Å; L672-F782 HydrophobicContact CD2-CD2 4.31Å; L672-F782 HydrophobicContact CD2-CE2 3.91Å; L672-F782 HydrophobicContact CD2-CZ 4.3Å; Y778-F782 HydrophobicContact CE1-CB 4.41Å; Y778-F782 WeakPolarHBondContact O-CB 3.47Å; Y778-F782 PolarHBondContact O-N 2.78Å; F782-S784 VanDerWaalsContact C-N 3.34Å; F782-S784 PolarHBondContact O-N 2.62Å; F782-L785 PolarHBondContact O-N 3Å; F782-V786 HydrophobicContact CD1-CG2 4.24Å; F782-V786 HydrophobicContact CE1-CG2 3.9Å; F782-V786 HydrophobicContact CZ-CG2 4.21Å; F782-V786 WeakPolarHBondContact O-CG2 3.02Å; F782-V786 PolarHBondContact O-N 3.11Å
783	S	96.3	Very high	93.7	Very high	59 Å²	59	62.7 Å²	62.7	41%	0.413	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-40.4	176.3	-64.8	0	0	0	0	112.4	V779 L785 V786 V787	V779-S783 VanDerWaalsContact O-CB 3.26Å; V779-S783 WeakPolarHBondContact O-CB 3.41Å; V779-S783 PolarHBondContact O-N 3.34Å; V779-S783 PolarHBondContact O-OG 2.04Å; S783-L785 VanDerWaalsContact C-N 3.34Å; S783-L785 PolarHBondContact O-N 2.97Å; S783-V786 PolarHBondContact O-N 3.24Å; S783-V787 WeakPolarHBondContact O-CG2 3.48Å; S783-V787 PolarHBondContact O-N 3.24Å
784	S	95	Very high	92.8	Very high	40 Å²	40	62.5 Å²	62.5	28%	0.28	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-42.3	176.2	-167	0	0	0	0	111.7	G780 L781 F782 V787 W788	G780-S784 VanDerWaalsContact O-CB 3.27Å; G780-S784 WeakPolarHBondContact O-CB 3.26Å; G780-S784 PolarHBondContact O-N 3Å; L781-S784 PolarHBondContact O-N 2.9Å; F782-S784 VanDerWaalsContact C-N 3.34Å; F782-S784 PolarHBondContact O-N 2.62Å; S784-V787 PolarHBondContact O-N 3.24Å; S784-W788 VanDerWaalsContact O-CG 3.31Å; S784-W788 PolarHBondContact O-N 3.13Å; S784-W788 WeakPolarHBondContact OG-CH2 3.03Å; S784-W788 VanDerWaalsContact OG-CZ2 3.31Å; S784-W788 WeakPolarHBondContact OG-CZ2 3.38Å
785	L	94.6	Very high	91.5	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.6	-39.5	176	-70.9	169.6	0	0	0	112	T669 L672 A673 L676 F741 L781 F782 S783 W788 F789	T669-L785 HydrophobicContact CG2-CD1 3.95Å; L672-L785 HydrophobicContact CD2-CB 3.64Å; L672-L785 HydrophobicContact CG-CB 4Å; A673-L785 HydrophobicContact CB-CD1 4.15Å; A673-L785 HydrophobicContact CB-CD2 3.96Å; L676-L785 HydrophobicContact CD2-CD2 4.23Å; F741-L785 HydrophobicContact CD1-CD1 4.1Å; F741-L785 HydrophobicContact CD1-CD2 4.48Å; F741-L785 HydrophobicContact CE1-CD1 4.49Å; F741-L785 HydrophobicContact CE1-CD2 4.2Å; L781-L785 HydrophobicContact CD1-CD1 4.2Å; L781-L785 HydrophobicContact CD1-CG 4.47Å; L781-L785 HydrophobicContact CG-CD1 4.26Å; L781-L785 WeakPolarHBondContact O-CG 3.35Å; L781-L785 PolarHBondContact O-N 2.88Å; F782-L785 PolarHBondContact O-N 3Å; S783-L785 VanDerWaalsContact C-N 3.34Å; S783-L785 PolarHBondContact O-N 2.97Å; L785-W788 HydrophobicContact CD2-CE3 4.42Å; L785-F789 VanDerWaalsContact O-CB 3.26Å; L785-F789 WeakPolarHBondContact O-CB 3.34Å; L785-F789 PolarHBondContact O-N 3.44Å
786	V	94.1	Very high	90.4	Very high	42 Å²	42	65.6 Å²	65.6	26%	0.255	35%	0.349	S	S	.	.	H	α-helix	trans	-63.9	-44.3	175.6	173.8	0	0	0	0	111.1	L672 F782 S783 F789 Y790	L672-V786 HydrophobicContact CD2-CG2 3.61Å; F782-V786 HydrophobicContact CD1-CG2 4.24Å; F782-V786 HydrophobicContact CE1-CG2 3.9Å; F782-V786 HydrophobicContact CZ-CG2 4.21Å; F782-V786 WeakPolarHBondContact O-CG2 3.02Å; F782-V786 PolarHBondContact O-N 3.11Å; S783-V786 PolarHBondContact O-N 3.24Å; V786-F789 PolarHBondContact O-N 2.79Å; V786-Y790 HydrophobicContact CG1-CD2 4.11Å; V786-Y790 PolarHBondContact O-N 3.18Å
787	V	94.2	Very high	89	Confident	69 Å²	69	66.1 Å²	66.1	42%	0.418	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-41.5	179.1	170.8	0	0	0	0	111.8	S783 S784 V791 Y792	S783-V787 WeakPolarHBondContact O-CG2 3.48Å; S783-V787 PolarHBondContact O-N 3.24Å; S784-V787 PolarHBondContact O-N 3.24Å; V787-V791 HydrophobicContact CG1-CB 4.43Å; V787-V791 HydrophobicContact CG1-CG2 4.4Å; V787-V791 WeakPolarHBondContact O-CA 3.45Å; V787-V791 WeakPolarHBondContact O-CB 3.49Å; V787-V791 PolarHBondContact O-N 2.89Å; V787-Y792 PolarHBondContact O-N 2.73Å
788	W	92.4	Very high	87.8	Confident	97 Å²	97	67.4 Å²	67.4	37%	0.367	35%	0.345	S	S	.	.	H	α-helix	trans	-70.7	-29.9	173.7	-63.2	-23.8	0	0	0	113	L676 S784 L785 Y792 P793 I794	L676-W788 HydrophobicContact CD1-CB 4.19Å; L676-W788 WeakPolarHBondContact CD1-O 3.04Å; L676-W788 HydrophobicContact CD2-CB 3.68Å; L676-W788 HydrophobicContact CD2-CE3 4.12Å; S784-W788 VanDerWaalsContact O-CG 3.31Å; S784-W788 PolarHBondContact O-N 3.13Å; S784-W788 WeakPolarHBondContact OG-CH2 3.03Å; S784-W788 VanDerWaalsContact OG-CZ2 3.31Å; S784-W788 WeakPolarHBondContact OG-CZ2 3.38Å; L785-W788 HydrophobicContact CD2-CE3 4.42Å; W788-Y792 WeakPolarHBondContact CA-O 3.42Å; W788-Y792 CarbonylContact O-C 3.41Å; W788-P793 WeakPolarHBondContact O-CA 3.49Å; W788-I794 HydrophobicContact CB-CG1 4.5Å; W788-I794 HydrophobicContact CD2-CD1 3.8Å; W788-I794 HydrophobicContact CE3-CD1 4.39Å; W788-I794 HydrophobicContact CG-CD1 3.86Å; W788-I794 HydrophobicContact CG-CG1 4.31Å; W788-I794 HydrophobicContact CZ2-CD1 4.46Å
789	F	91.6	Very high	86.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-69	-45.5	175.7	-172.7	-99.3	0	0	0	112.3	M453 R454 L672 A675 L676 L785 V786	M453-F789 HydrophobicContact CB-CE1 4.08Å; M453-F789 HydrophobicContact CB-CZ 3.91Å; M453-F789 HydrophobicContact CE-CZ 4.1Å; R454-F789 HydrophobicContact CB-CE1 4.03Å; R454-F789 HydrophobicContact CB-CZ 4.25Å; R454-F789 WeakPolarHBondContact CD-O 3.42Å; R454-F789 HydrophobicContact CG-CE1 4.1Å; R454-F789 HydrophobicContact CG-CE2 4.45Å; R454-F789 HydrophobicContact CG-CZ 3.84Å; R454-F789 PolarHBondContact NH1-O 2.91Å; L672-F789 HydrophobicContact CD1-CB 3.84Å; L672-F789 HydrophobicContact CD1-CD1 4.29Å; L672-F789 HydrophobicContact CD1-CD2 4.29Å; L672-F789 HydrophobicContact CD1-CG 3.86Å; A675-F789 HydrophobicContact CB-CD2 4.19Å; A675-F789 HydrophobicContact CB-CE2 3.66Å; A675-F789 HydrophobicContact CB-CZ 4.39Å; L676-F789 HydrophobicContact CB-CD2 4.36Å; L785-F789 VanDerWaalsContact O-CB 3.26Å; L785-F789 WeakPolarHBondContact O-CB 3.34Å; L785-F789 PolarHBondContact O-N 3.44Å; V786-F789 PolarHBondContact O-N 2.79Å
790	Y	89.6	Confident	85.3	Confident	101 Å²	101	66.1 Å²	66.1	40%	0.396	34%	0.335	S	S	.	.	H	α-helix	trans	-94.9	-36	-174.5	-79.6	-67.4	0	0	0	115.7	M453 R454 F620 V786	M453-Y790 WeakPolarHBondContact O-CE1 3.26Å; M453-Y790 PolarHBondContact O-OH 3.38Å; R454-Y790 HydrophobicContact CB-CD1 4.44Å; R454-Y790 HydrophobicContact CB-CE1 4.27Å; F620-Y790 HydrophobicContact CD2-CE2 4.14Å; F620-Y790 WeakPolarHBondContact CD2-OH 3.5Å; F620-Y790 HydrophobicContact CE2-CE2 4.4Å; V786-Y790 HydrophobicContact CG1-CD2 4.11Å; V786-Y790 PolarHBondContact O-N 3.18Å
791	V	88.7	Confident	83.9	Confident	88 Å²	88	68.8 Å²	68.8	53%	0.533	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-47.3	-171	-166.4	0	0	0	0	112.1	V787	V787-V791 HydrophobicContact CG1-CB 4.43Å; V787-V791 HydrophobicContact CG1-CG2 4.4Å; V787-V791 WeakPolarHBondContact O-CA 3.45Å; V787-V791 WeakPolarHBondContact O-CB 3.49Å; V787-V791 PolarHBondContact O-N 2.89Å
792	Y	84.9	Confident	82.8	Confident	162 Å²	162	70.3 Å²	70.3	64%	0.635	34%	0.344	S	S	*	.			trans	-127.8	80.1	-174.5	-65.7	-71.7	0	0	0	112.7	V787 W788 I794	V787-Y792 PolarHBondContact O-N 2.73Å; W788-Y792 WeakPolarHBondContact CA-O 3.42Å; W788-Y792 CarbonylContact O-C 3.41Å; Y792-I794 VanDerWaalsContact O-CG1 3.32Å; Y792-I794 WeakPolarHBondContact O-CG1 3.42Å; Y792-I794 PolarHBondContact O-N 3.02Å; Y792-I794 VanDerWaalsContact O-N 3.13Å
793	P	77.2	Confident	81.6	Confident	53 Å²	53	68.4 Å²	68.4	34%	0.344	34%	0.336	S	S	.	.			trans	-59.6	113.2	175.6	-24.8	35.3	0	0	0	112.2	W788	W788-P793 WeakPolarHBondContact O-CA 3.49Å
794	I	76.5	Confident	80.4	Confident	59 Å²	59	65.9 Å²	65.9	30%	0.303	32%	0.318	S	S	.	.			trans	-98.9	105.6	179.2	-41.3	-177.1	0	0	0	110.3	W788 Y792 L796	W788-I794 HydrophobicContact CB-CG1 4.5Å; W788-I794 HydrophobicContact CD2-CD1 3.8Å; W788-I794 HydrophobicContact CE3-CD1 4.39Å; W788-I794 HydrophobicContact CG-CD1 3.86Å; W788-I794 HydrophobicContact CG-CG1 4.31Å; W788-I794 HydrophobicContact CZ2-CD1 4.46Å; Y792-I794 VanDerWaalsContact O-CG1 3.32Å; Y792-I794 WeakPolarHBondContact O-CG1 3.42Å; Y792-I794 PolarHBondContact O-N 3.02Å; Y792-I794 VanDerWaalsContact O-N 3.13Å; I794-L796 HydrophobicContact CG2-CD1 4.44Å; I794-L796 HydrophobicContact CG2-CD2 3.79Å; I794-L796 HydrophobicContact CG2-CG 3.77Å; I794-L796 PolarHBondContact O-N 3.28Å; I794-L796 VanDerWaalsContact O-N 3.08Å
795	N	69.2	Low	79.3	Confident	96 Å²	96	67.2 Å²	67.2	51%	0.513	32%	0.322	S	S	.	.			trans	-83.7	80	178.6	-68.9	3.6	0	0	0	111.2	H797	N795-H797 PolarHBondContact O-N 2.53Å
796	L	72.4	Confident	78	Confident	62 Å²	62	70.9 Å²	70.9	33%	0.325	35%	0.345	S	S	.	.			trans	-84.5	82.9	175.4	-63.3	-176.3	0	0	0	111.4	F677 I794 W798 L799	F677-L796 HydrophobicContact CE1-CD1 4.07Å; F677-L796 HydrophobicContact CE1-CG 4.37Å; I794-L796 HydrophobicContact CG2-CD1 4.44Å; I794-L796 HydrophobicContact CG2-CD2 3.79Å; I794-L796 HydrophobicContact CG2-CG 3.77Å; I794-L796 PolarHBondContact O-N 3.28Å; I794-L796 VanDerWaalsContact O-N 3.08Å; L796-W798 PolarHBondContact O-N 3.37Å; L796-L799 HydrophobicContact CB-CB 4.33Å; L796-L799 HydrophobicContact CB-CD1 4.26Å; L796-L799 HydrophobicContact CD1-CD1 4.12Å; L796-L799 WeakPolarHBondContact O-CB 3.4Å; L796-L799 PolarHBondContact O-N 3.45Å
797	H	68.1	Low	76.7	Confident	109 Å²	109	75.6 Å²	75.6	51%	0.505	36%	0.363	S	S	.	.	H	α-helix	trans	-57.2	-19.3	-179.4	-64.1	-55.5	0	0	0	115	N795 E800 H801	N795-H797 PolarHBondContact O-N 2.53Å; H797-E800 IonicContact CE1-OE1 2.76Å; H797-E800 IonicContact CG-OE1 2.97Å; H797-E800 IonicContact ND1-OE1 3.59Å; H797-E800 PolarHBondContact ND1-OE1 3.18Å; H797-E800 WeakPolarHBondContact O-CB 3.28Å; H797-H801 PolarHBondContact O-CE1 3.36Å; H797-H801 PolarHBondContact O-ND1 3.43Å
798	W	72.9	Confident	75.3	Confident	165 Å²	165	76.4 Å²	76.4	63%	0.625	37%	0.368	S	S	*	.	H	α-helix	trans	-75	-23.3	172.8	74.1	-94	0	0	0	113.4	L796 E800 H801 L802	L796-W798 PolarHBondContact O-N 3.37Å; W798-E800 VanDerWaalsContact C-N 3.33Å; W798-H801 WeakPolarHBondContact O-CB 3.35Å; W798-H801 PolarHBondContact O-N 2.84Å; W798-L802 HydrophobicContact CZ3-CD1 4.27Å
799	L	73.2	Confident	73.7	Confident	13 Å²	13	77 Å²	77	7%	0.068	39%	0.387	C	S	.	.	H	α-helix	trans	-69.2	-29.7	174	-109.5	72.9	0	0	0	112.4	F677 I737 L796 H801 L802	F677-L799 HydrophobicContact CB-CD2 4.24Å; F677-L799 HydrophobicContact CD1-CD2 3.7Å; F677-L799 HydrophobicContact CD2-CD2 3.43Å; F677-L799 VanDerWaalsContact CD2-CD2 3.43Å; F677-L799 HydrophobicContact CE1-CD2 3.81Å; F677-L799 HydrophobicContact CE2-CD2 3.56Å; F677-L799 HydrophobicContact CG-CD2 3.51Å; F677-L799 HydrophobicContact CZ-CD2 3.75Å; I737-L799 HydrophobicContact CD1-CB 4.21Å; I737-L799 HydrophobicContact CD1-CD2 4.37Å; L796-L799 HydrophobicContact CB-CB 4.33Å; L796-L799 HydrophobicContact CB-CD1 4.26Å; L796-L799 HydrophobicContact CD1-CD1 4.12Å; L796-L799 WeakPolarHBondContact O-CB 3.4Å; L796-L799 PolarHBondContact O-N 3.45Å; L799-H801 PolarHBondContact O-N 3.23Å; L799-H801 VanDerWaalsContact O-N 3.14Å; L799-L802 HydrophobicContact CD1-CD1 4.44Å; L799-L802 HydrophobicContact CG-CD1 4.12Å; L799-L802 WeakPolarHBondContact O-CB 3.33Å; L799-L802 PolarHBondContact O-N 2.88Å
800	E	68.6	Low	72.1	Confident	50 Å²	50	84 Å²	84	23%	0.234	42%	0.417	C	S	.	.	H	α-helix	trans	-52.3	-36.8	173.3	-61.9	174.2	-146.2	0	0	111.1	L678 H797 W798 L802 T803 C804 K814	L678-E800 HydrophobicContact CD2-CG 4.45Å; H797-E800 IonicContact CE1-OE1 2.76Å; H797-E800 IonicContact CG-OE1 2.97Å; H797-E800 IonicContact ND1-OE1 3.59Å; H797-E800 PolarHBondContact ND1-OE1 3.18Å; H797-E800 WeakPolarHBondContact O-CB 3.28Å; W798-E800 VanDerWaalsContact C-N 3.33Å; E800-L802 VanDerWaalsContact C-N 3.3Å; E800-L802 PolarHBondContact O-N 3.29Å; E800-T803 VanDerWaalsContact O-CB 3.31Å; E800-T803 WeakPolarHBondContact O-CB 3.48Å; E800-T803 PolarHBondContact O-N 3Å; E800-C804 PolarHBondContact O-N 3.19Å; E800-K814 IonicContact OE1-NZ 2.65Å; E800-K814 WeakPolarHBondContact OE2-CE 3.22Å; E800-K814 IonicContact OE2-NZ 3.17Å; E800-K814 PolarHBondContact OE2-NZ 3.35Å
801	H	69.8	Low	70.5	Confident	98 Å²	98	82.5 Å²	82.5	45%	0.454	41%	0.413	S	S	.	.	H	α-helix	trans	-74	-16.1	-178	-61.5	72.1	0	0	0	113.7	H797 W798 L799	H797-H801 PolarHBondContact O-CE1 3.36Å; H797-H801 PolarHBondContact O-ND1 3.43Å; W798-H801 WeakPolarHBondContact O-CB 3.35Å; W798-H801 PolarHBondContact O-N 2.84Å; L799-H801 PolarHBondContact O-N 3.23Å; L799-H801 VanDerWaalsContact O-N 3.14Å
802	L	72.7	Confident	69.4	Low	71 Å²	71	79.6 Å²	79.6	37%	0.372	40%	0.396	S	S	.	.	H	α-helix	trans	-75.2	-17.2	168.4	-57.3	-177.2	0	0	0	112.2	L730 N736 W798 L799 E800	L730-L802 VanDerWaalsContact CD2-O 3.27Å; L730-L802 WeakPolarHBondContact CD2-O 3.08Å; N736-L802 VanDerWaalsContact CB-O 3.28Å; N736-L802 WeakPolarHBondContact CB-O 3.33Å; N736-L802 PolarHBondContact ND2-O 3.07Å; N736-L802 VanDerWaalsContact ND2-O 3.16Å; W798-L802 HydrophobicContact CZ3-CD1 4.27Å; L799-L802 HydrophobicContact CD1-CD1 4.44Å; L799-L802 HydrophobicContact CG-CD1 4.12Å; L799-L802 WeakPolarHBondContact O-CB 3.33Å; L799-L802 PolarHBondContact O-N 2.88Å; E800-L802 VanDerWaalsContact C-N 3.3Å; E800-L802 PolarHBondContact O-N 3.29Å
803	T	71.4	Confident	68.1	Low	2 Å²	2	74.7 Å²	74.7	1%	0.012	38%	0.379	C	S	.	.	H	α-helix	trans	-92.8	-41.6	179.5	-48.9	0	0	0	0	111.5	L678 I734 E800	L678-T803 HydrophobicContact CD1-CG2 3.86Å; I734-T803 VanDerWaalsContact O-CG2 3.24Å; I734-T803 WeakPolarHBondContact O-CG2 3.44Å; E800-T803 VanDerWaalsContact O-CB 3.31Å; E800-T803 WeakPolarHBondContact O-CB 3.48Å; E800-T803 PolarHBondContact O-N 3Å
804	C	71.2	Confident	67	Low	7 Å²	7	77.3 Å²	77.3	5%	0.047	39%	0.385	C	S	.	.			trans	-144.3	118.8	-179.3	-166.2	0	0	0	0	109.8	E800 C812	E800-C804 PolarHBondContact O-N 3.19Å; C804-C812 HydrophobicContact CB-CB 3.74Å; C804-C812 WeakPolarHBondContact CB-SG 3.46Å; C804-C812 VanDerWaalsContact SG-CA 3.53Å; C804-C812 WeakPolarHBondContact SG-CB 3.25Å; C804-C812 CovalentContact SG-SG 2.03Å; C804-C812 PolarHBondContact SG-SG 3.4Å
805	L	72.6	Confident	65.9	Low	68 Å²	68	77.4 Å²	77.4	36%	0.356	38%	0.382	S	S	.	.			trans	-82.4	122.9	172.2	-76.1	178.2	0	0	0	109.4	L730 F807 C812	L730-L805 HydrophobicContact CD1-CD1 3.97Å; L730-L805 HydrophobicContact CD1-CG 4.48Å; L730-L805 HydrophobicContact CD2-CG 4.35Å; L805-F807 HydrophobicContact CB-CD2 4.13Å; L805-F807 HydrophobicContact CB-CE1 4.48Å; L805-F807 HydrophobicContact CB-CE2 3.66Å; L805-F807 HydrophobicContact CB-CZ 3.86Å; L805-F807 HydrophobicContact CD1-CE2 4.38Å; L805-F807 HydrophobicContact CD1-CZ 3.86Å; L805-F807 WeakPolarHBondContact O-CD2 3.46Å; L805-F807 PolarHBondContact O-N 3.32Å; L805-C812 PolarHBondContact O-SG 3.23Å
806	P	67.4	Low	64.8	Low	76 Å²	76	76.1 Å²	76.1	49%	0.494	38%	0.375	S	S	.	.			trans	-75.2	72.6	-175.8	31	-36	0	0	0	112	T808 C812	P806-T808 PolarHBondContact O-N 2.64Å; P806-C812 HydrophobicContact CB-CB 4.33Å
807	F	65.6	Low	63.8	Low	142 Å²	142	74.5 Å²	74.5	62%	0.623	37%	0.366	S	S	*	.	S	Bend	trans	-63.7	-27.3	176.5	-66.5	-70.5	0	0	0	113	L805 F811	L805-F807 HydrophobicContact CB-CD2 4.13Å; L805-F807 HydrophobicContact CB-CE1 4.48Å; L805-F807 HydrophobicContact CB-CE2 3.66Å; L805-F807 HydrophobicContact CB-CZ 3.86Å; L805-F807 HydrophobicContact CD1-CE2 4.38Å; L805-F807 HydrophobicContact CD1-CZ 3.86Å; L805-F807 WeakPolarHBondContact O-CD2 3.46Å; L805-F807 PolarHBondContact O-N 3.32Å; F807-F811 HydrophobicContact CB-CD1 4.42Å; F807-F811 HydrophobicContact CD2-CD1 4.01Å; F807-F811 AromaticContact CD2-CE1 3.87Å; F807-F811 HydrophobicContact CD2-CE1 3.87Å
808	T	65.6	Low	62.5	Low	85 Å²	85	73.6 Å²	73.6	52%	0.521	37%	0.365	S	S	.	.	S	Bend	trans	-140.4	160.4	163.2	75.8	0	0	0	0	109	P806 K810 F811	P806-T808 PolarHBondContact O-N 2.64Å; T808-K810 PolarHBondContact O-N 3.34Å; T808-K810 VanDerWaalsContact O-N 3.14Å; T808-F811 WeakPolarHBondContact O-CB 3.34Å; T808-F811 PolarHBondContact O-N 3.35Å; T808-F811 PolarHBondContact OG1-N 3.47Å
809	S	57.7	Low	61.1	Low	109 Å²	109	70.4 Å²	70.4	76%	0.762	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.8	-178.1	48	0	0	0	0	114.1
810	K	58.3	Low	59.7	Low	147 Å²	147	74.3 Å²	74.3	64%	0.639	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-4.6	178.9	-56	-155.4	172.2	-153.3	0	114.7	T808	T808-K810 PolarHBondContact O-N 3.34Å; T808-K810 VanDerWaalsContact O-N 3.14Å
811	F	57.8	Low	58.2	Low	71 Å²	71	77.1 Å²	77.1	31%	0.311	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-32	-175.2	-162.8	-109.8	0	0	0	113.1	L731 P732 F807 T808	L731-F811 HydrophobicContact CD2-CZ 4.16Å; P732-F811 VanDerWaalsContact CD-CE1 3.49Å; P732-F811 VanDerWaalsContact CD-CZ 3.41Å; P732-F811 HydrophobicContact CG-CE1 4.39Å; P732-F811 HydrophobicContact CG-CE2 4.25Å; P732-F811 HydrophobicContact CG-CZ 4.12Å; F807-F811 HydrophobicContact CB-CD1 4.42Å; F807-F811 HydrophobicContact CD2-CD1 4.01Å; F807-F811 AromaticContact CD2-CE1 3.87Å; F807-F811 HydrophobicContact CD2-CE1 3.87Å; T808-F811 WeakPolarHBondContact O-CB 3.34Å; T808-F811 PolarHBondContact O-N 3.35Å; T808-F811 PolarHBondContact OG1-N 3.47Å
812	C	63.6	Low	56.3	Low	26 Å²	26	79.4 Å²	79.4	18%	0.176	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	30.6	177.2	-56.3	0	0	0	0	111	C804 L805 P806 K814	C804-C812 HydrophobicContact CB-CB 3.74Å; C804-C812 WeakPolarHBondContact CB-SG 3.46Å; C804-C812 VanDerWaalsContact SG-CA 3.53Å; C804-C812 WeakPolarHBondContact SG-CB 3.25Å; C804-C812 CovalentContact SG-SG 2.03Å; C804-C812 PolarHBondContact SG-SG 3.4Å; L805-C812 PolarHBondContact O-SG 3.23Å; P806-C812 HydrophobicContact CB-CB 4.33Å; C812-K814 PolarHBondContact O-N 3.23Å
813	E	58.4	Low	54.2	Low	59 Å²	59	83.1 Å²	83.1	28%	0.276	43%	0.429	S	S	.	.			trans	-51.9	132.7	179	-153.1	158	-136.1	0	0	109.1	Q408	Q408-E813 PolarHBondContact NE2-OE2 3.06Å
814	K	54.1	Low	52.1	Low	109 Å²	109	87.9 Å²	87.9	47%	0.474	46%	0.458	S	S	.	.			trans	-67.7	153.3	-170.7	-69.6	-161.1	-179.8	-146.1	0	110.4	E800 C812 D816	E800-K814 IonicContact OE1-NZ 2.65Å; E800-K814 WeakPolarHBondContact OE2-CE 3.22Å; E800-K814 IonicContact OE2-NZ 3.17Å; E800-K814 PolarHBondContact OE2-NZ 3.35Å; C812-K814 PolarHBondContact O-N 3.23Å; K814-D816 HydrophobicContact CB-CB 4.21Å; K814-D816 PolarHBondContact O-N 2.77Å
815	Y	53.1	Low	50.1	Low	60 Å²	60	96.7 Å²	96.7	24%	0.235	50%	0.499	C	S	.	.			trans	-74.7	57.6	163.8	-76.7	-122.6	0	0	0	107.8	Q430 R681 W733	Q430-Y815 VanDerWaalsContact NE2-CE1 3.32Å; R681-Y815 HydrophobicContact CG-CD1 4.39Å; R681-Y815 HydrophobicContact CG-CD2 4Å; R681-Y815 HydrophobicContact CG-CE1 4.36Å; R681-Y815 HydrophobicContact CG-CE2 3.99Å; R681-Y815 HydrophobicContact CG-CG 4.2Å; W733-Y815 WeakPolarHBondContact CZ3-OH 3.2Å
816	D	47.3	Very low	48	Very low	69 Å²	69	105.5 Å²	105.5	37%	0.369	54%	0.538	S	S	.	.			trans	-72	134.3	-168.2	-141	-40.4	0	0	0	109.4	K571 K814 H819	K571-D816 PolarHBondContact NZ-O 3.14Å; K814-D816 HydrophobicContact CB-CB 4.21Å; K814-D816 PolarHBondContact O-N 2.77Å; D816-H819 HydrophobicContact CB-CB 4.25Å
817	I	51.1	Low	47	Very low	28 Å²	28	107 Å²	107	14%	0.144	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-41.2	-172	-57.4	177.5	0	0	0	108.8	I459 M462 K571 Y680 H819	I459-I817 HydrophobicContact CG1-CD1 4.42Å; M462-I817 HydrophobicContact CE-CB 4.13Å; M462-I817 HydrophobicContact CE-CG2 3.8Å; M462-I817 HydrophobicContact SD-CG2 3.71Å; K571-I817 HydrophobicContact CD-CG2 4.17Å; K571-I817 PolarHBondContact NZ-O 2.88Å; Y680-I817 HydrophobicContact CD1-CD1 4.23Å; Y680-I817 HydrophobicContact CD2-CD1 4.41Å; Y680-I817 HydrophobicContact CE1-CD1 3.98Å; Y680-I817 HydrophobicContact CE2-CD1 4.14Å; Y680-I817 HydrophobicContact CG-CD1 4.45Å; I817-H819 PolarHBondContact O-N 3Å
818	D	41.3	Very low	46	Very low	90 Å²	90	105.2 Å²	105.2	48%	0.481	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	10.8	-167.2	-64.8	-48.2	0	0	0	115.6	M462 N820	M462-D818 WeakPolarHBondContact CE-OD1 3.49Å; M462-D818 VanDerWaalsContact CE-OD2 3.32Å; M462-D818 WeakPolarHBondContact CE-OD2 3.39Å; D818-N820 PolarHBondContact O-N 3.47Å
819	H	43.2	Very low	44.9	Very low	98 Å²	98	106.3 Å²	106.3	45%	0.454	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	24.9	-165.8	-131.3	-32.8	0	0	0	116.8	D816 I817	D816-H819 HydrophobicContact CB-CB 4.25Å; I817-H819 PolarHBondContact O-N 3Å
820	N	42.3	Very low	44.2	Very low	95 Å²	95	106.1 Å²	106.1	51%	0.508	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150	24.9	-170.5	-139.1	26.7	0	0	0	115.4	D818	D818-N820 PolarHBondContact O-N 3.47Å
821	I	37.2	Very low	43.3	Very low	109 Å²	109	103.6 Å²	103.6	56%	0.559	52%	0.516	S	S	*	.	S	Bend	trans	-118.6	-29.8	-179.2	-65.7	-177.7	0	0	0	114.5
822	N	29.8	Very low	42.3	Very low	147 Å²	147	105.7 Å²	105.7	79%	0.786	53%	0.53	S	S	*	.	S	Bend	trans	-104.1	-12.2	-175.2	-72.1	8.3	0	0	0	115.6	V824	N822-V824 PolarHBondContact O-N 3.41Å; N822-V824 VanDerWaalsContact O-N 3.08Å
823	D	28.8	Very low	40.8	Very low	148 Å²	148	111.4 Å²	111.4	79%	0.791	56%	0.555	S	S	*	*			trans	-86.9	47.5	177.8	-70.9	-6.1	0	0	0	111.8
824	V	28.5	Very low	39.5	Very low	102 Å²	102	115.5 Å²	115.5	62%	0.618	58%	0.576	S	S	*	*			trans	-100.8	96.9	158.6	179.6	0	0	0	0	106.1	N822 H826	N822-V824 PolarHBondContact O-N 3.41Å; N822-V824 VanDerWaalsContact O-N 3.08Å; V824-H826 PolarHBondContact O-N 2.95Å
825	E	27.7	Very low	38.3	Very low	193 Å²	193	116 Å²	116	90%	0.902	59%	0.585	S	S	*	*			trans	-62.4	125.3	164.7	-67.8	-175	136.6	0	0	108
826	H	28.8	Very low	36.9	Very low	253 Å²	253	121.1 Å²	121.1	100%	1.171	62%	0.617	S	S	*	*			trans	-83.4	0	179.9	-83.7	-53.4	0	0	0	112.4	V824	V824-H826 PolarHBondContact O-N 2.95Å

Retrieved 826 of 826 residues in 920.7 ms (Link to these results)

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