A0A087XVT3_POEFO Loading...

Rho guanine nucleotide exchange factor 26

AlphaFold DB , UniProt , Accession A0A087XVT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 858 aa.

						>A0A087XVT3_POEFO|A0A087XVT3
MDLGNDVDLSNNNITPLWRRRTDFSEGSQDLNKLKPRPVSYHLNGVTTGDFSAGDDGRSFTLSQPPQPLNENTMVLKHVLHKPSEKKRIVRSISIGRLYNGRFSLSKFRAEDKRATLDNRVCNGGSNRRNNQNGSVCSENHHQDTQRSTTNPLDLDLEKDQISSGTNIPPPETPTDNCSSHIHSPHTPNHYHYELSSQSSISSSSSPGYGTLSPSHSSSSSIPSLSSLTSSDPPTPRSPSPADRGNPLQSQTTSPASSYDTLYASSSSSSFSTSPSLSPTASPSPAVVLSTNSPAALKMGTQQLIPKGLASDIRQTKAPPTGTQRLGLDHSKRAMKVLSMVEAGGYFSTGGGHTKEAEGETESPGALRRALRSTSYRRAVVTEVDKDVTLVELKMPVMEGLENPGSPTGSTNLSTLSPTSAEAPKAASPRITKSSSPRMDKTISKKKSKIPNRKKLTSQRTFDSEEEELYQNYKEKALHNDSDEDADSRGPKPDQGIVVQYRPIRTSWSQLSVVKKNGLAEQLSQEERKRQEAIFEVISSEHSYLHSLEILIRMFKNSSELSEAMTKIDHHHLFSNISDVCEASKKFFKELEDRHQQSIVIDDISDIVCKHAESTFDPYIKYCSNEVYQQRTLQRLVGAKNSAFKEVLTRLEGHPDCRNLPMSSFLILPMQRITRLPLLLDTICQKTSKDSARYETCKKALQAMSKVVRKCNEGARTMERTEMMYTISTQLQFKIKPFPLVSSSRWMVKRGELTAFVEDSGIFTKRKSRQHVYFFLFNDVLIVTKKKGEDSHTVIDYALRDQIQVGSSQPEDVHLSPVKSPTSMLSSRQVGANHLFRLCFRSNHSSEKVAMILGTELE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.6	Very low	30.1	Very low	223 Å²	223	143.9 Å²	143.9	100%	1.099	81%	0.808	S	S	*	*				0	79.7	0	-59.8	174.7	-172.9	0	0	106.1
2	D	27.1	Very low	30.8	Very low	151 Å²	151	144.9 Å²	144.9	81%	0.807	81%	0.81	S	S	*	*			cis	79.3	153.6	41.5	-54.6	-51.8	0	0	0	114.1
3	L	34.8	Very low	30.9	Very low	174 Å²	174	144.8 Å²	144.8	91%	0.911	81%	0.807	S	S	*	*			trans	79.1	89.2	-165.8	-51.7	176.3	0	0	0	112.8
4	G	29.2	Very low	31	Very low	65 Å²	65	146.5 Å²	146.5	67%	0.67	81%	0.811	S	S	*	*			cis	103	117.8	6.8	0	0	0	0	0	111.8
5	N	28.9	Very low	31.1	Very low	163 Å²	163	145.1 Å²	145.1	87%	0.872	81%	0.808	S	S	*	*			trans	-157	66.8	175.9	-134.8	1.4	0	0	0	108.4
6	D	27.7	Very low	31.2	Very low	157 Å²	157	143.4 Å²	143.4	84%	0.84	81%	0.806	S	S	*	*			trans	-65.7	136.1	179.1	-68	-70	0	0	0	111.3
7	V	33.4	Very low	31	Very low	124 Å²	124	143.9 Å²	143.9	75%	0.752	81%	0.805	S	S	*	*			trans	-95.8	101	169.3	178.9	0	0	0	0	107.6	L9	V7-L9 HydrophobicContact CG1-CD2 4.41Å; V7-L9 PolarHBondContact O-N 3.25Å
8	D	27.2	Very low	30.9	Very low	127 Å²	127	149.3 Å²	149.3	68%	0.679	81%	0.811	S	S	*	*			trans	-60.8	124.8	174.4	-174.4	-5.2	0	0	0	110.7	S10	D8-S10 VanDerWaalsContact CG-OG 3.31Å; D8-S10 VanDerWaalsContact OD1-CB 3.25Å; D8-S10 WeakPolarHBondContact OD1-CB 3.25Å; D8-S10 PolarHBondContact OD1-N 3.25Å; D8-S10 PolarHBondContact OD1-OG 2.63Å; D8-S10 PolarHBondContact OD2-OG 2.84Å
9	L	30.6	Very low	30.7	Very low	164 Å²	164	154.3 Å²	154.3	86%	0.859	82%	0.817	S	S	*	*			trans	-106.2	24.7	179.3	-68.2	176.9	0	0	0	112.6	V7	V7-L9 HydrophobicContact CG1-CD2 4.41Å; V7-L9 PolarHBondContact O-N 3.25Å
10	S	30.4	Very low	30.5	Very low	89 Å²	89	158.5 Å²	158.5	62%	0.622	82%	0.821	S	S	*	*			trans	-105.5	64.6	-176.9	71.3	0	0	0	0	115.1	D8	D8-S10 VanDerWaalsContact CG-OG 3.31Å; D8-S10 VanDerWaalsContact OD1-CB 3.25Å; D8-S10 WeakPolarHBondContact OD1-CB 3.25Å; D8-S10 PolarHBondContact OD1-N 3.25Å; D8-S10 PolarHBondContact OD1-OG 2.63Å; D8-S10 PolarHBondContact OD2-OG 2.84Å
11	N	28.9	Very low	30.3	Very low	146 Å²	146	162.6 Å²	162.6	78%	0.781	83%	0.826	S	S	*	*			trans	-137.9	109.6	157.3	-153.8	-25.1	0	0	0	113.5	N13	N11-N13 PolarHBondContact O-N 3.36Å
12	N	39.2	Very low	30	Very low	156 Å²	156	157.5 Å²	157.5	83%	0.834	81%	0.807	S	S	*	*			trans	-86.5	95.5	-176.5	-80.4	-54.7	0	0	0	111.7
13	N	32.3	Very low	30	Very low	143 Å²	143	156.1 Å²	156.1	77%	0.765	80%	0.8	S	S	*	*			trans	-158.2	93	162.5	-97.7	-53.6	0	0	0	112.9	N11	N11-N13 PolarHBondContact O-N 3.36Å
14	I	31.4	Very low	29.7	Very low	169 Å²	169	157.2 Å²	157.2	87%	0.867	80%	0.798	S	S	*	*			trans	175.8	117.7	144.3	-92.2	151.5	0	0	0	108.2
15	T	33.4	Very low	29.5	Very low	125 Å²	125	158.8 Å²	158.8	77%	0.767	80%	0.799	S	S	*	*			trans	-97.3	130	-173.6	-32.3	0	0	0	0	111.7	L17	T15-L17 PolarHBondContact O-N 2.93Å
16	P	31.8	Very low	29.4	Very low	118 Å²	118	160.3 Å²	160.3	77%	0.766	80%	0.801	S	S	*	*			trans	-73.4	119	-178.7	27.7	-34	0	0	0	112.8	W18	P16-W18 PolarHBondContact O-N 3.16Å
17	L	28.4	Very low	29.3	Very low	153 Å²	153	156.6 Å²	156.6	80%	0.801	80%	0.799	S	S	*	*			trans	-82.6	31.2	-158.3	-107.6	172.6	0	0	0	117.7	T15	T15-L17 PolarHBondContact O-N 2.93Å
18	W	28.6	Very low	29	Very low	240 Å²	240	156 Å²	156	91%	0.909	80%	0.801	S	S	*	*			trans	-138.6	54.1	-170.5	-52.4	102.9	0	0	0	117.7	P16	P16-W18 PolarHBondContact O-N 3.16Å
19	R	27.6	Very low	29.1	Very low	245 Å²	245	158.2 Å²	158.2	93%	0.925	81%	0.807	S	S	*	*			trans	-153.4	137	150.1	-154	169.7	-71.9	-159.1	2.3	112.8
20	R	26.8	Very low	29	Very low	237 Å²	237	157.3 Å²	157.3	89%	0.894	80%	0.803	S	S	*	*			trans	-90.7	147.4	166.2	-81.3	-176	176.4	177.7	-2.3	110.5
21	R	26.4	Very low	29	Very low	246 Å²	246	159.2 Å²	159.2	93%	0.928	81%	0.805	S	S	*	*			trans	-124.5	158.5	139.4	-85.1	-165.8	178.4	-147	3.7	108.6
22	T	26.2	Very low	28.9	Very low	115 Å²	115	157.5 Å²	157.5	71%	0.706	80%	0.796	S	S	*	*			trans	-97.7	166.6	169.2	45.1	0	0	0	0	109.5
23	D	27.4	Very low	28.6	Very low	123 Å²	123	158.3 Å²	158.3	66%	0.658	79%	0.792	S	S	*	*				158.2	130.3	121.4	-75.3	-9.9	0	0	0	112.4
24	F	27.3	Very low	28.6	Very low	196 Å²	196	157.5 Å²	157.5	86%	0.86	79%	0.787	S	S	*	*			trans	60.2	156.1	163.4	-55.7	-56.9	0	0	0	119.5
25	S	25.7	Very low	28.7	Very low	99 Å²	99	158 Å²	158	69%	0.692	78%	0.783	S	S	*	*			cis	-162.3	166.9	-25.8	-172.7	0	0	0	0	109.6
26	E	26.4	Very low	29.2	Very low	195 Å²	195	156.8 Å²	156.8	91%	0.911	78%	0.777	S	S	*	*			trans	64.7	135.3	171.9	-47.8	-171.6	153.7	0	0	116.5
27	G	25.7	Very low	29.1	Very low	78 Å²	78	162.4 Å²	162.4	80%	0.804	78%	0.783	S	S	*	*			cis	-166.8	-162.2	-4	0	0	0	0	0	108.5
28	S	27.5	Very low	29.6	Very low	112 Å²	112	160 Å²	160	78%	0.783	78%	0.777	S	S	*	*			cis	-164.7	176.5	-11.8	-161	0	0	0	0	110.6
29	Q	29.5	Very low	29.6	Very low	173 Å²	173	154.5 Å²	154.5	81%	0.808	77%	0.77	S	S	*	*			trans	37.6	101.5	161.3	-74.7	177.7	-6.7	0	0	123
30	D	28.6	Very low	29.6	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	76%	0.756	S	S	*	*				64.4	136.7	106.3	-88.5	-27.9	0	0	0	127.5
31	L	29.9	Very low	29.8	Very low	129 Å²	129	145.7 Å²	145.7	68%	0.675	75%	0.752	S	S	*	*			trans	81	133.1	141.8	-101.3	68.2	0	0	0	125
32	N	27.9	Very low	30	Very low	110 Å²	110	141.4 Å²	141.4	59%	0.588	74%	0.742	S	S	*	*			trans	75.7	128.3	148.1	-71	-25.7	0	0	0	119.3
33	K	32.1	Very low	30.1	Very low	173 Å²	173	142.3 Å²	142.3	75%	0.752	74%	0.742	S	S	*	*			cis	107.1	141.8	39.6	-93.3	-172	-156.9	138.4	0	110
34	L	31.3	Very low	30.2	Very low	126 Å²	126	143.6 Å²	143.6	66%	0.66	75%	0.749	S	S	*	*			cis	-156.7	149.9	13.5	-84.6	126.2	0	0	0	113.3
35	K	33.5	Very low	30.4	Very low	180 Å²	180	137.9 Å²	137.9	78%	0.783	75%	0.745	S	S	*	*			trans	66.7	167.3	135.6	-75.3	-178.7	-177.5	171.8	0	121.5
36	P	44	Very low	30.4	Very low	99 Å²	99	139.7 Å²	139.7	64%	0.643	75%	0.752	S	S	*	*			cis	-148.6	170.4	-39.8	41.6	-24.6	0	0	0	118.5
37	R	29.5	Very low	30.5	Very low	236 Å²	236	135.9 Å²	135.9	89%	0.891	74%	0.742	S	S	*	*			trans	70.6	165.4	141.6	-83.8	-174.5	-176.5	-175.6	2.4	119.9
38	P	38.8	Very low	30.6	Very low	102 Å²	102	138.8 Å²	138.8	66%	0.662	74%	0.744	S	S	*	*			cis	-150.1	162.7	-42.8	43.3	-25.8	0	0	0	118.4
39	V	30.5	Very low	30.5	Very low	126 Å²	126	136.4 Å²	136.4	76%	0.764	74%	0.737	S	S	*	*			trans	52.6	170.1	158.8	-104.6	0	0	0	0	119.7
40	S	27.4	Very low	30.3	Very low	91 Å²	91	135.9 Å²	135.9	64%	0.636	74%	0.74	S	S	*	*			cis	-161.7	153.7	0.1	27.9	0	0	0	0	113
41	Y	31	Very low	30.2	Very low	205 Å²	205	138.2 Å²	138.2	80%	0.804	74%	0.743	S	S	*	*			trans	35.8	153.2	135.2	-57.3	-49	0	0	0	123
42	H	29.1	Very low	30.1	Very low	156 Å²	156	137.2 Å²	137.2	72%	0.722	75%	0.747	S	S	*	*			cis	-173.9	157.2	-24.2	-141.9	-34.3	0	0	0	109.2
43	L	28.9	Very low	30.1	Very low	134 Å²	134	136.4 Å²	136.4	70%	0.702	76%	0.756	S	S	*	*			trans	81.6	122.2	144.1	-139.1	70.8	0	0	0	123
44	N	30.8	Very low	29.9	Very low	151 Å²	151	131.8 Å²	131.8	81%	0.807	76%	0.758	S	S	*	*			trans	36	134.8	146.3	-56	-2.2	0	0	0	124.7
45	G	29.7	Very low	29.8	Very low	76 Å²	76	133.4 Å²	133.4	78%	0.784	77%	0.767	S	S	*	*			trans	168.1	95.9	154.2	0	0	0	0	0	120.4
46	V	27	Very low	29.7	Very low	137 Å²	137	132.4 Å²	132.4	83%	0.83	77%	0.77	S	S	*	*			trans	-14.6	144.6	140.7	-171.8	0	0	0	0	115.7
47	T	27.5	Very low	28.9	Very low	114 Å²	114	131.2 Å²	131.2	70%	0.699	78%	0.775	S	S	*	*			cis	-165.2	173.1	37.5	-12.9	0	0	0	0	113.2
48	T	27.5	Very low	28.9	Very low	140 Å²	140	131.6 Å²	131.6	86%	0.859	78%	0.777	S	S	*	*			trans	60.8	156.4	152.2	46.4	0	0	0	0	120.5
49	G	26.9	Very low	28.2	Very low	62 Å²	62	130.6 Å²	130.6	64%	0.639	77%	0.773	S	S	*	*			cis	176.3	160.8	-6.8	0	0	0	0	0	114.5
50	D	25.3	Very low	28	Very low	161 Å²	161	133.5 Å²	133.5	86%	0.861	78%	0.775	S	S	*	*			trans	69.7	170.3	157.3	-59.4	-28.8	0	0	0	124.4
51	F	25	Very low	28.1	Very low	194 Å²	194	135.8 Å²	135.8	85%	0.851	79%	0.786	S	S	*	*			trans	-100.7	-174.1	-164.8	-65.3	-109.1	0	0	0	111.3
52	S	27.7	Very low	28	Very low	108 Å²	108	133 Å²	133	76%	0.755	78%	0.784	S	S	*	*			cis	-167.1	172.6	18.5	-152.4	0	0	0	0	114.6
53	A	28.5	Very low	28	Very low	94 Å²	94	131 Å²	131	78%	0.777	79%	0.788	S	S	*	*			trans	60	130	144.3	0	0	0	0	0	124.4
54	G	27.2	Very low	27.9	Very low	76 Å²	76	132.5 Å²	132.5	78%	0.784	79%	0.791	S	S	*	*			trans	77.3	162.8	141.9	0	0	0	0	0	119.5
55	D	30.4	Very low	28.2	Very low	160 Å²	160	131 Å²	131	86%	0.856	79%	0.79	S	S	*	*			cis	-158	169.8	-28.4	-154.4	2.1	0	0	0	110.5
56	D	30.2	Very low	28.5	Very low	159 Å²	159	132.7 Å²	132.7	85%	0.85	79%	0.786	S	S	*	*			trans	5.4	146.1	165.9	-118.1	-11.2	0	0	0	122.9
57	G	27.9	Very low	28.6	Very low	73 Å²	73	135.4 Å²	135.4	75%	0.753	79%	0.79	S	S	*	*			trans	154.8	106.1	157.2	0	0	0	0	0	121.6
58	R	28.9	Very low	28.9	Very low	244 Å²	244	135 Å²	135	92%	0.921	79%	0.789	S	S	*	*			trans	-44.4	166.9	158.9	-68.9	175.2	-176.7	-173.2	1.7	116.3
59	S	26	Very low	28.8	Very low	82 Å²	82	135.4 Å²	135.4	57%	0.573	79%	0.786	S	S	*	*			cis	176.9	166.6	-8.3	50	0	0	0	0	112
60	F	26.1	Very low	29.2	Very low	186 Å²	186	139.5 Å²	139.5	82%	0.816	79%	0.793	S	S	*	*			trans	70.1	161.3	168.7	-54.7	-70.3	0	0	0	116.8
61	T	27.7	Very low	29.8	Very low	140 Å²	140	140.2 Å²	140.2	86%	0.859	79%	0.791	S	S	*	*			cis	-146.3	-178.2	4.2	-19.8	0	0	0	0	112.4
62	L	29.9	Very low	30.3	Very low	146 Å²	146	137.8 Å²	137.8	76%	0.764	79%	0.787	S	S	*	*			trans	-99	154	-172.9	-179.6	73.5	0	0	0	114.3
63	S	28.1	Very low	30.8	Very low	115 Å²	115	138.9 Å²	138.9	80%	0.804	79%	0.789	S	S	*	*			trans	-145.6	161.8	152.7	59	0	0	0	0	112.9
64	Q	28.7	Very low	30.9	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	80%	0.797	S	S	*	*			trans	-125.3	-179.5	-171.4	-92.3	-173	-3.3	0	0	110.1
65	P	36	Very low	31.2	Very low	120 Å²	120	145.9 Å²	145.9	78%	0.779	80%	0.796	S	S	*	*			cis	-138.1	-178.9	14.2	43.4	-25.3	0	0	0	117.3
66	P	35.9	Very low	31	Very low	110 Å²	110	145.7 Å²	145.7	71%	0.714	79%	0.794	S	S	*	*			trans	-116.7	152.9	169.5	39.3	-29	0	0	0	114.5
67	Q	29.8	Very low	31.1	Very low	194 Å²	194	147 Å²	147	91%	0.907	79%	0.792	S	S	*	*			trans	-162.6	170.4	156.7	-105.2	-162.2	4.2	0	0	111.2
68	P	33.8	Very low	31.2	Very low	105 Å²	105	151.4 Å²	151.4	68%	0.682	79%	0.793	S	S	*	*			trans	-127.2	179.4	-133.2	45.1	-33.3	0	0	0	116.7
69	L	25.7	Very low	31.5	Very low	150 Å²	150	144.7 Å²	144.7	79%	0.785	78%	0.779	S	S	*	*			trans	-158.1	143.7	131.7	-135.9	78.9	0	0	0	113.2
70	N	33.6	Very low	31.6	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	79%	0.792	S	S	*	*			trans	68.2	137.7	165.7	-62.8	-3.2	0	0	0	120.7
71	E	38.7	Very low	31.9	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	79%	0.789	S	S	*	*	S	Bend	trans	-104.1	149.2	-171.4	-60.9	175.9	171.7	0	0	110.5
72	N	36.2	Very low	32.3	Very low	143 Å²	143	150.4 Å²	150.4	77%	0.765	79%	0.79	S	S	*	*	S	Bend	cis	-141	97.9	0.3	-96.1	-46.4	0	0	0	109.9
73	T	37.9	Very low	32.4	Very low	131 Å²	131	149.5 Å²	149.5	80%	0.804	79%	0.793	S	S	*	*			trans	-176.5	124.1	153	-79	0	0	0	0	109.5	V75	T73-V75 HydrophobicContact CG2-CG2 4.11Å
74	M	29.4	Very low	32.7	Very low	193 Å²	193	149.1 Å²	149.1	95%	0.951	79%	0.79	S	S	*	*			trans	-130.3	126.4	165.3	-106.6	-166.2	176.2	0	0	110.8
75	V	33.6	Very low	32.9	Very low	125 Å²	125	148.6 Å²	148.6	76%	0.758	79%	0.788	S	S	*	*			trans	-103.4	104.9	-178.4	177.9	0	0	0	0	109.4	T73 K77	T73-V75 HydrophobicContact CG2-CG2 4.11Å; V75-K77 PolarHBondContact O-N 3.1Å
76	L	26.8	Very low	32.7	Very low	155 Å²	155	152.8 Å²	152.8	81%	0.812	79%	0.794	S	S	*	*			trans	-79.3	108.3	176.5	-147.9	81.2	0	0	0	110.9	H78	L76-H78 PolarHBondContact O-N 3.09Å
77	K	32.5	Very low	32.5	Very low	188 Å²	188	156.3 Å²	156.3	82%	0.817	80%	0.798	S	S	*	*			trans	-83.6	75.1	-169.4	-168	-179.3	-175.8	178.7	0	112.4	V75 V79	V75-K77 PolarHBondContact O-N 3.1Å; K77-V79 PolarHBondContact O-N 3.39Å
78	H	29.5	Very low	32.6	Very low	164 Å²	164	157.5 Å²	157.5	76%	0.759	79%	0.794	S	S	*	*			trans	-69.6	100.8	177.5	-113.7	-70.1	0	0	0	112.4	L76	L76-H78 PolarHBondContact O-N 3.09Å
79	V	36.6	Very low	32.1	Very low	104 Å²	104	160 Å²	160	63%	0.63	80%	0.8	S	S	*	*			trans	-77.3	121	165.7	178.3	0	0	0	0	108.2	K77	K77-V79 PolarHBondContact O-N 3.39Å
80	L	27.1	Very low	32.2	Very low	160 Å²	160	157.2 Å²	157.2	84%	0.838	79%	0.789	S	S	*	*			trans	-113.2	116.9	174.3	-155.7	77.4	0	0	0	110.1
81	H	33.2	Very low	31.8	Very low	166 Å²	166	161.5 Å²	161.5	77%	0.769	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.6	146.7	175.8	-83.9	-121.1	0	0	0	111.2	P83	H81-P83 WeakPolarHBondContact O-CD 3.3Å
82	K	35.3	Very low	31.2	Very low	202 Å²	202	157.4 Å²	157.4	88%	0.878	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-74.8	123.4	173.7	-67.3	174.3	-178.3	168.6	0	109.9
83	P	32.7	Very low	30.7	Very low	127 Å²	127	158.6 Å²	158.6	83%	0.825	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.9	140.7	163.1	30.6	-32.8	0	0	0	110.4	H81	H81-P83 WeakPolarHBondContact O-CD 3.3Å
84	S	33.5	Very low	30.1	Very low	107 Å²	107	157.4 Å²	157.4	75%	0.748	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-87.2	168	172.1	46.7	0	0	0	0	112.2
85	E	32.4	Very low	30.3	Very low	153 Å²	153	156.1 Å²	156.1	72%	0.715	78%	0.782	S	S	*	*			trans	67.8	136.9	175.4	-52.9	-151.6	149.7	0	0	119	K87	E85-K87 VanDerWaalsContact OE2-CE 3.25Å; E85-K87 WeakPolarHBondContact OE2-CE 3.45Å
86	K	32.7	Very low	29.9	Very low	209 Å²	209	153.7 Å²	153.7	91%	0.909	78%	0.782	S	S	*	*			trans	-134.3	107.7	152.2	-76.7	-168.3	174.3	-172	0	107.7	R88	K86-R88 PolarHBondContact O-N 3.21Å
87	K	30.9	Very low	29.9	Very low	183 Å²	183	156.8 Å²	156.8	80%	0.796	78%	0.783	S	S	*	*			trans	-66.4	128.4	178.8	-69.5	-179.5	178.4	175.8	0	110	E85	E85-K87 VanDerWaalsContact OE2-CE 3.25Å; E85-K87 WeakPolarHBondContact OE2-CE 3.45Å
88	R	31.8	Very low	29.6	Very low	219 Å²	219	154 Å²	154	83%	0.826	78%	0.777	S	S	*	*			trans	-92.4	111.6	176.7	-178.1	-164.1	-71.3	170.7	-4.6	108.6	K86 V90	K86-R88 PolarHBondContact O-N 3.21Å; R88-V90 HydrophobicContact CG-CG2 3.73Å; R88-V90 PolarHBondContact O-N 3.18Å
89	I	24.8	Very low	29.5	Very low	157 Å²	157	155.5 Å²	155.5	81%	0.805	78%	0.777	S	S	*	*			trans	-73.1	108.8	167.8	-63.2	178.5	0	0	0	108
90	V	26.4	Very low	29	Very low	92 Å²	92	157.7 Å²	157.7	56%	0.558	79%	0.785	S	S	*	*			trans	-106.9	121.3	167.4	-177.6	0	0	0	0	107	R88 S92	R88-V90 HydrophobicContact CG-CG2 3.73Å; R88-V90 PolarHBondContact O-N 3.18Å; V90-S92 PolarHBondContact O-N 2.99Å
91	R	26.5	Very low	28.9	Very low	238 Å²	238	153.7 Å²	153.7	90%	0.898	78%	0.782	S	S	*	*			trans	-90.2	80.3	163.2	-80.1	-167	172.1	111.1	-1.2	109.1
92	S	25.3	Very low	28.6	Very low	90 Å²	90	157.8 Å²	157.8	63%	0.629	79%	0.791	S	S	*	*			trans	-85.3	123.5	161.6	49.5	0	0	0	0	108.4	V90	V90-S92 PolarHBondContact O-N 2.99Å
93	I	26.5	Very low	28.1	Very low	167 Å²	167	158.2 Å²	158.2	86%	0.856	79%	0.793	S	S	*	*			trans	-109.3	117.4	163.2	-51	-179.9	0	0	0	105.9
94	S	25.1	Very low	27.7	Very low	106 Å²	106	157.5 Å²	157.5	74%	0.741	79%	0.791	S	S	*	*			trans	-83.4	154.7	-173.2	-61.3	0	0	0	0	112.2
95	I	33.7	Very low	27.3	Very low	167 Å²	167	159.6 Å²	159.6	86%	0.856	79%	0.793	S	S	*	*			trans	-65.8	132.8	174.5	-64.3	164.2	0	0	0	110
96	G	25.4	Very low	27	Very low	74 Å²	74	156.6 Å²	156.6	76%	0.763	79%	0.789	S	S	*	*			trans	-116	142.7	165.2	0	0	0	0	0	110.5
97	R	26.2	Very low	26.7	Very low	219 Å²	219	156.4 Å²	156.4	83%	0.826	79%	0.788	S	S	*	*			trans	-149.5	157	-175.9	-151.5	-174.5	-151	-121.9	7.2	109
98	L	26.6	Very low	26.4	Very low	131 Å²	131	157 Å²	157	69%	0.686	79%	0.791	S	S	*	*			trans	75.2	149.5	174.1	-44.5	-176.4	0	0	0	114.5
99	Y	26.8	Very low	26.2	Very low	195 Å²	195	157.5 Å²	157.5	77%	0.765	79%	0.793	S	S	*	*			cis	-152.5	172	-10.7	-131.7	-64.9	0	0	0	109.5
100	N	26.9	Very low	26.4	Very low	149 Å²	149	153.5 Å²	153.5	80%	0.797	78%	0.784	S	S	*	*			trans	77.6	119.9	161.3	-65.7	-14.6	0	0	0	118.3
101	G	24.3	Very low	26.4	Very low	76 Å²	76	157.3 Å²	157.3	78%	0.784	80%	0.795	S	S	*	*			trans	-117.9	-166.5	171.5	0	0	0	0	0	112.9
102	R	26.9	Very low	26.6	Very low	253 Å²	253	151.1 Å²	151.1	96%	0.955	78%	0.78	S	S	*	*			trans	-153.4	166.2	166.9	-108.8	174.9	-175.8	-175.4	0.8	111.9
103	F	24.1	Very low	26.8	Very low	211 Å²	211	154.1 Å²	154.1	93%	0.925	78%	0.782	S	S	*	*			trans	-77.8	152.3	-164.5	-73.5	-110.2	0	0	0	116.3
104	S	24.8	Very low	26.9	Very low	111 Å²	111	157.3 Å²	157.3	78%	0.776	78%	0.783	S	S	*	*			trans	173.6	140.9	142	-174.4	0	0	0	0	110.9
105	L	25.8	Very low	27.1	Very low	152 Å²	152	156.4 Å²	156.4	80%	0.796	78%	0.782	S	S	*	*			cis	-156	158.6	-30.8	-118.2	178.1	0	0	0	111.1
106	S	25	Very low	26.8	Very low	89 Å²	89	154.2 Å²	154.2	62%	0.622	78%	0.776	S	S	*	*			trans	2	135.6	161.9	61.5	0	0	0	0	123.9
107	K	28.1	Very low	27	Very low	205 Å²	205	158.1 Å²	158.1	89%	0.891	78%	0.779	S	S	*	*				-159.7	158.1	106.9	-112	175.7	-177.6	178.1	0	114
108	F	24.6	Very low	27.1	Very low	195 Å²	195	153.5 Å²	153.5	86%	0.855	77%	0.77	S	S	*	*			trans	-74.1	172.5	178.3	-73.3	-113.1	0	0	0	111.6
109	R	26.1	Very low	27.3	Very low	231 Å²	231	152.1 Å²	152.1	87%	0.872	76%	0.764	S	S	*	*			cis	-153.8	177.2	18.8	-155.6	170.4	174.1	172.3	-2	112.1
110	A	29.1	Very low	27.3	Very low	73 Å²	73	153.4 Å²	153.4	60%	0.603	77%	0.767	S	S	*	*			trans	-60.7	-174.3	176	0	0	0	0	0	116.4
111	E	27.8	Very low	27.3	Very low	171 Å²	171	152 Å²	152	80%	0.799	76%	0.764	S	S	*	*			cis	-165.5	167.7	11.5	-128.5	150.9	101.2	0	0	106.1
112	D	29.1	Very low	27.4	Very low	109 Å²	109	153 Å²	153	58%	0.583	76%	0.758	S	S	*	*			cis	-166.8	-179.7	-3.2	-153.5	-6.6	0	0	0	113
113	K	30.9	Very low	27.3	Very low	153 Å²	153	148.3 Å²	148.3	67%	0.665	75%	0.752	S	S	*	*			trans	51.9	104	147.3	-79.5	160	-169	124.7	0	123.9
114	R	28.4	Very low	27.6	Very low	234 Å²	234	142 Å²	142	88%	0.883	75%	0.747	S	S	*	*				68.3	149.3	116.2	-67.6	-174.6	-174.3	-162.2	2.2	124
115	A	28.8	Very low	27.6	Very low	86 Å²	86	140.1 Å²	140.1	71%	0.711	74%	0.744	S	S	*	*			trans	71.3	121.8	160.6	0	0	0	0	0	117.3
116	T	27	Very low	27.6	Very low	121 Å²	121	138.3 Å²	138.3	74%	0.742	74%	0.744	S	S	*	*			cis	90.1	135.8	32.7	66.5	0	0	0	0	116
117	L	30	Very low	27.6	Very low	157 Å²	157	140.2 Å²	140.2	82%	0.822	75%	0.747	S	S	*	*			trans	72.2	137	165.3	-71.7	161.8	0	0	0	114.5
118	D	28	Very low	27.6	Very low	121 Å²	121	139.5 Å²	139.5	65%	0.647	74%	0.739	S	S	*	*			cis	-176.7	174.9	13.7	-151.3	-6.1	0	0	0	111.1
119	N	30.1	Very low	27.7	Very low	102 Å²	102	139 Å²	139	55%	0.545	73%	0.732	S	S	.	*			trans	52.4	128.4	144.5	-90.6	-59.2	0	0	0	123.9
120	R	28.8	Very low	27.7	Very low	222 Å²	222	134.3 Å²	134.3	84%	0.838	72%	0.724	S	S	*	*			trans	66.1	157.1	132.3	-73.1	174	-173.4	-134.8	-1.1	120.7
121	V	25.5	Very low	27.8	Very low	121 Å²	121	136 Å²	136	73%	0.733	72%	0.723	S	S	*	*			cis	-174.8	170	-32.8	99.4	0	0	0	0	107.2
122	C	27.2	Very low	28	Very low	96 Å²	96	135.4 Å²	135.4	65%	0.649	72%	0.72	S	S	*	*			trans	71.5	120.6	163.9	-87.1	0	0	0	0	120.7
123	N	25.1	Very low	28	Very low	155 Å²	155	138 Å²	138	83%	0.829	73%	0.734	S	S	*	*				75	159.6	127.9	-59.1	-8	0	0	0	120.6
124	G	29	Very low	27.8	Very low	79 Å²	79	134 Å²	134	81%	0.814	74%	0.736	S	S	*	*			trans	89.3	83.2	-176.2	0	0	0	0	0	112.4
125	G	24.5	Very low	27.7	Very low	71 Å²	71	128.3 Å²	128.3	73%	0.732	73%	0.732	S	S	*	*			cis	98.8	92.2	7.6	0	0	0	0	0	112.7
126	S	26.9	Very low	28.2	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	74%	0.737	S	S	*	*			trans	72.9	121.2	158	-62.2	0	0	0	0	120.6
127	N	25.3	Very low	28	Very low	129 Å²	129	130.6 Å²	130.6	69%	0.69	74%	0.741	S	S	*	*				86.3	129.9	127.1	-92.7	-38.2	0	0	0	121.7
128	R	27	Very low	27.9	Very low	191 Å²	191	127.5 Å²	127.5	72%	0.721	73%	0.732	S	S	*	*			trans	71	150.7	141.4	-65.5	176.3	175.6	-174.4	-2.2	115.8
129	R	26.4	Very low	27.9	Very low	184 Å²	184	128.9 Å²	128.9	69%	0.694	73%	0.734	S	S	*	*			cis	-158.5	156.2	-5.5	-127	174.9	-178.9	169.8	-4.5	108.2
130	N	27.9	Very low	27.8	Very low	133 Å²	133	129.3 Å²	129.3	71%	0.711	74%	0.737	S	S	*	*			trans	66	161.6	159.7	-60.5	11	0	0	0	114
131	N	31.1	Very low	27.9	Very low	109 Å²	109	125.7 Å²	125.7	58%	0.583	73%	0.729	S	S	*	*			cis	-141.4	150	7.4	-136.3	5.7	0	0	0	111.4
132	Q	32.1	Very low	28.1	Very low	157 Å²	157	126.3 Å²	126.3	73%	0.734	72%	0.724	S	S	*	*			trans	54	119.2	144.9	-68.2	160	1.9	0	0	120.9
133	N	28.3	Very low	28.2	Very low	165 Å²	165	129.7 Å²	129.7	88%	0.882	73%	0.73	S	S	*	*			trans	-14.9	148.7	134.5	-41.5	-9.6	0	0	0	114.8
134	G	26.8	Very low	28.5	Very low	69 Å²	69	129 Å²	129	71%	0.711	73%	0.726	S	S	*	*			cis	121.3	152.4	15.2	0	0	0	0	0	111
135	S	26.8	Very low	28.6	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	72%	0.715	S	S	*	*			trans	73.2	121.5	-165.9	-155.9	0	0	0	0	112.5
136	V	37.6	Very low	28.8	Very low	133 Å²	133	133.1 Å²	133.1	81%	0.806	71%	0.712	S	S	*	*			cis	80.8	113.2	47.8	178.6	0	0	0	0	113.5
137	C	24.5	Very low	28.9	Very low	122 Å²	122	137.7 Å²	137.7	82%	0.824	71%	0.712	S	S	*	*			trans	-154.3	156.1	163.3	-78.6	0	0	0	0	104.8
138	S	27.8	Very low	28.9	Very low	92 Å²	92	136 Å²	136	64%	0.643	71%	0.71	S	S	*	*			cis	-167.3	170.3	6.2	-115.8	0	0	0	0	106.6
139	E	28.2	Very low	28.9	Very low	149 Å²	149	132.4 Å²	132.4	70%	0.696	71%	0.71	S	S	*	*			cis	-160.6	171.5	3.8	-137.7	151.7	127.7	0	0	112
140	N	27.9	Very low	28.8	Very low	112 Å²	112	130 Å²	130	60%	0.599	72%	0.716	S	S	*	*			trans	95.1	125.6	158.5	-60.3	-37.4	0	0	0	117
141	H	29	Very low	28.6	Very low	145 Å²	145	131 Å²	131	67%	0.671	72%	0.721	S	S	*	*			cis	-152	160.6	1.6	-79	-58.9	0	0	0	107.9
142	H	29.6	Very low	29.3	Very low	134 Å²	134	131.2 Å²	131.2	62%	0.62	73%	0.728	S	S	*	*			cis	-163.4	-180	-10.6	-116.1	-19.6	0	0	0	110.1
143	Q	30.7	Very low	29.1	Very low	167 Å²	167	131.2 Å²	131.2	78%	0.78	73%	0.732	S	S	*	*			trans	22.3	135.2	145.6	-66.2	166	-13.6	0	0	120.5
144	D	30.9	Very low	29	Very low	140 Å²	140	130.2 Å²	130.2	75%	0.749	73%	0.727	S	S	*	*			cis	-168.2	-178.4	-7.8	-158.7	37	0	0	0	106.4
145	T	30.3	Very low	29	Very low	95 Å²	95	134.4 Å²	134.4	58%	0.583	73%	0.732	S	S	*	*			cis	-152	174.2	14.5	-46.1	0	0	0	0	110.8
146	Q	28.7	Very low	28.8	Very low	143 Å²	143	135.5 Å²	135.5	67%	0.668	73%	0.729	S	S	*	*			trans	-12.6	150.3	160.6	-66	178.7	57.9	0	0	119.3
147	R	29	Very low	28.5	Very low	209 Å²	209	136.1 Å²	136.1	79%	0.789	73%	0.727	S	S	*	*			cis	-171.4	153.2	32.4	-135.5	172.8	-148.3	-152.6	2.3	113.5
148	S	26.5	Very low	28.8	Very low	94 Å²	94	137 Å²	137	66%	0.657	72%	0.72	S	S	*	*			trans	55.6	120.7	141.6	-68	0	0	0	0	125.6
149	T	25.8	Very low	28.9	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	72%	0.717	S	S	*	*				68.8	120.8	126.1	62.5	0	0	0	0	124.8
150	T	25.8	Very low	28.9	Very low	134 Å²	134	137 Å²	137	82%	0.822	71%	0.71	S	S	*	*			trans	70	143.2	130.6	59	0	0	0	0	123.9
151	N	23.6	Very low	29.2	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	71%	0.714	S	S	*	*			trans	-52.7	168.7	152	-63.8	-11.3	0	0	0	112
152	P	46.1	Very low	29.3	Very low	113 Å²	113	138.7 Å²	138.7	73%	0.734	72%	0.718	S	S	*	*			cis	-141.4	-163.7	21.2	44.7	-24.7	0	0	0	116.3
153	L	27.6	Very low	29.2	Very low	157 Å²	157	137.7 Å²	137.7	82%	0.822	73%	0.726	S	S	*	*			trans	-10.3	141.7	151.3	-57.1	162.2	0	0	0	116.9
154	D	24.9	Very low	29.1	Very low	144 Å²	144	135.4 Å²	135.4	77%	0.77	73%	0.728	S	S	*	*				-162.8	158.7	110.1	-130	-11.2	0	0	0	116.7
155	L	26.7	Very low	29	Very low	157 Å²	157	132 Å²	132	82%	0.822	73%	0.727	S	S	*	*			trans	58.5	145.1	152.6	-73.7	165.9	0	0	0	124.6
156	D	23.4	Very low	29	Very low	137 Å²	137	134.4 Å²	134.4	73%	0.733	74%	0.741	S	S	*	*			trans	-126	167.2	-170.7	-165.2	5	0	0	0	109.3
157	L	31.8	Very low	29.1	Very low	147 Å²	147	134.8 Å²	134.8	77%	0.77	75%	0.748	S	S	*	*			trans	61.4	161.7	173.6	-92.1	63.5	0	0	0	116.7
158	E	30.7	Very low	29.3	Very low	141 Å²	141	132.8 Å²	132.8	66%	0.659	75%	0.751	S	S	*	*			cis	-130.4	175.4	11.7	-118.2	-167.6	150.5	0	0	109.1
159	K	29.5	Very low	29.9	Very low	137 Å²	137	133.4 Å²	133.4	60%	0.596	75%	0.753	S	S	*	*			cis	-165.9	157.8	30.3	-143.8	-178	176.2	80	0	114.2
160	D	29.1	Very low	31.2	Very low	102 Å²	102	133.5 Å²	133.5	55%	0.545	76%	0.756	S	S	.	*			trans	55.7	141.1	147	-72.2	-14	0	0	0	122.3
161	Q	32.7	Very low	32.7	Very low	147 Å²	147	132.2 Å²	132.2	69%	0.687	75%	0.749	S	S	*	*			cis	-162.7	137.9	-19.3	-130.1	179.7	79.1	0	0	112.3
162	I	31.8	Very low	33	Very low	147 Å²	147	132.7 Å²	132.7	75%	0.754	75%	0.747	S	S	*	*			trans	43.5	116.5	146.8	-62.6	165.5	0	0	0	120.8
163	S	27.2	Very low	32.2	Very low	112 Å²	112	133.4 Å²	133.4	78%	0.783	75%	0.749	S	S	*	*				-157.4	149.3	108.6	69.5	0	0	0	0	112.5
164	S	29	Very low	33.1	Very low	119 Å²	119	131 Å²	131	83%	0.832	74%	0.743	S	S	*	*			trans	-19.5	142.1	177.7	-44.5	0	0	0	0	118.5
165	G	28.2	Very low	33.3	Very low	69 Å²	69	129.5 Å²	129.5	71%	0.711	74%	0.739	S	S	*	*			cis	105.3	131.6	26.1	0	0	0	0	0	110
166	T	30.4	Very low	33.4	Very low	145 Å²	145	128.6 Å²	128.6	89%	0.89	74%	0.735	S	S	*	*			cis	-152.5	152.9	10.9	-65	0	0	0	0	110.8
167	N	31	Very low	33.6	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	74%	0.739	S	S	*	*			trans	-76.4	161.4	-178.5	-62.7	-64.7	0	0	0	114.8
168	I	32.5	Very low	33.4	Very low	167 Å²	167	127.1 Å²	127.1	86%	0.856	74%	0.735	S	S	*	*			trans	-157.8	155	143.3	-111.3	157.3	0	0	0	112.1
169	P	40.8	Very low	33.3	Very low	108 Å²	108	125.5 Å²	125.5	70%	0.701	74%	0.739	S	S	*	*			trans	-117.4	-170.6	-164.8	44.9	-31.6	0	0	0	114
170	P	53.2	Low	33.3	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	74%	0.743	S	S	*	*			trans	-98.8	-168.9	180	43	-36.2	0	0	0	112.1
171	P	56.4	Low	33.4	Very low	106 Å²	106	126.9 Å²	126.9	69%	0.688	76%	0.755	S	S	*	*			cis	-134.7	-169.7	-5.1	42.7	-23.8	0	0	0	116.1
172	E	29.3	Very low	33.1	Very low	164 Å²	164	127.4 Å²	127.4	77%	0.766	76%	0.761	S	S	*	*			trans	66	114.5	149.9	-79.7	176.4	-158.5	0	0	125.7
173	T	29.8	Very low	33	Very low	128 Å²	128	128.2 Å²	128.2	79%	0.785	76%	0.761	S	S	*	*			trans	68.4	167.7	141.1	68.6	0	0	0	0	121.3
174	P	47.3	Very low	33	Very low	106 Å²	106	127.9 Å²	127.9	69%	0.688	76%	0.759	S	S	*	*			cis	-134.3	-164.6	-29	33	-10.9	0	0	0	115.4
175	T	28.2	Very low	34.1	Very low	113 Å²	113	126.9 Å²	126.9	69%	0.693	75%	0.749	S	S	*	*			trans	80.4	109.9	150.7	41.9	0	0	0	0	124.7
176	D	28.6	Very low	34.1	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	75%	0.752	S	S	*	*				76.8	145	122.6	-63.9	-13.4	0	0	0	127.5
177	N	28.2	Very low	34.1	Very low	152 Å²	152	130.1 Å²	130.1	81%	0.813	74%	0.743	S	S	*	*			trans	76.8	137.6	157.7	-75.2	-44.1	0	0	0	120.3
178	C	27.1	Very low	35	Very low	100 Å²	100	127.8 Å²	127.8	68%	0.676	74%	0.737	S	S	*	*			cis	-164.1	154.1	-11.5	-160.9	0	0	0	0	112.3
179	S	28.5	Very low	34.9	Very low	108 Å²	108	126.3 Å²	126.3	76%	0.755	73%	0.73	S	S	*	*			trans	63.7	152	160.7	-76.1	0	0	0	0	119.6
180	S	29.3	Very low	34.3	Very low	96 Å²	96	127.6 Å²	127.6	67%	0.671	73%	0.727	S	S	*	*			cis	-165.1	153.8	-7.9	45.6	0	0	0	0	112.3
181	H	31	Very low	33.1	Very low	172 Å²	172	131.2 Å²	131.2	80%	0.796	73%	0.727	S	S	*	*			trans	30	136.9	148.2	-64	-67.8	0	0	0	121.2
182	I	28.1	Very low	31.8	Very low	157 Å²	157	133.7 Å²	133.7	81%	0.805	73%	0.729	S	S	*	*				-168.4	174.8	56	-128.6	144	0	0	0	113.3
183	H	28.1	Very low	31.6	Very low	165 Å²	165	135.7 Å²	135.7	76%	0.764	73%	0.731	S	S	*	*			trans	-71.3	149.8	179.5	-72.2	-102.6	0	0	0	114.2
184	S	27.7	Very low	31.5	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	73%	0.726	S	S	*	*				64.5	156.6	75.4	-136.6	0	0	0	0	114.6
185	P	52	Low	30.6	Very low	97 Å²	97	138.4 Å²	138.4	63%	0.63	73%	0.729	S	S	*	*			cis	-145.9	-169.6	8.4	45.2	-25	0	0	0	118.3
186	H	28.8	Very low	30.6	Very low	166 Å²	166	137 Å²	137	77%	0.769	72%	0.724	S	S	*	*			trans	70.6	108.2	146.9	-78.9	-61.5	0	0	0	125.7
187	T	30.4	Very low	30.6	Very low	116 Å²	116	135.1 Å²	135.1	71%	0.712	72%	0.722	S	S	*	*				30.7	162.5	112.8	56.2	0	0	0	0	123.7
188	P	50.3	Low	30.7	Very low	103 Å²	103	136.4 Å²	136.4	67%	0.669	72%	0.723	S	S	*	*			cis	-142.8	-162.5	-15.6	33.4	-8.7	0	0	0	116.1
189	N	29.1	Very low	30.8	Very low	135 Å²	135	136.6 Å²	136.6	72%	0.722	73%	0.725	S	S	*	*			trans	102.2	116.8	143.5	-75.9	-4.8	0	0	0	124.5
190	H	28.4	Very low	30.9	Very low	136 Å²	136	135.8 Å²	135.8	63%	0.63	72%	0.719	S	S	*	*				67.9	126.3	129.3	-85.4	-63.4	0	0	0	127.2
191	Y	28.4	Very low	30.9	Very low	192 Å²	192	138.9 Å²	138.9	75%	0.753	73%	0.727	S	S	*	*			trans	85.1	150.5	133.5	-75.1	-46.9	0	0	0	124.5
192	H	28.5	Very low	30.9	Very low	159 Å²	159	135 Å²	135	74%	0.736	72%	0.719	S	S	*	*			trans	64.8	140.9	174.8	-70.8	-83.4	0	0	0	117.8
193	Y	26	Very low	31	Very low	205 Å²	205	132.7 Å²	132.7	80%	0.804	72%	0.717	S	S	*	*			cis	66.5	141.6	46.8	-83.8	-59.8	0	0	0	112.5
194	E	27.8	Very low	31.1	Very low	149 Å²	149	129.6 Å²	129.6	70%	0.696	71%	0.714	S	S	*	*			cis	-156	157.7	14.1	-120.8	-166.6	145.8	0	0	111.2
195	L	28.4	Very low	31.2	Very low	143 Å²	143	129.9 Å²	129.9	75%	0.749	72%	0.716	S	S	*	*			trans	54.9	172.8	152.6	-91.2	65	0	0	0	119.1
196	S	28.3	Very low	30.3	Very low	84 Å²	84	130.9 Å²	130.9	59%	0.587	73%	0.725	S	S	*	*			cis	-155.9	133.5	-10.8	-121.9	0	0	0	0	109.6
197	S	28.9	Very low	31.2	Very low	98 Å²	98	129 Å²	129	69%	0.685	73%	0.728	S	S	*	*				89.4	158.7	96.9	-60.2	0	0	0	0	117.7
198	Q	28.5	Very low	31.2	Very low	179 Å²	179	126.3 Å²	126.3	84%	0.836	72%	0.723	S	S	*	*			trans	74.3	114	175.7	-51.3	-174.8	36.2	0	0	114.4
199	S	29.6	Very low	30.3	Very low	103 Å²	103	133 Å²	133	72%	0.72	74%	0.737	S	S	*	*				76.8	143.3	56.7	80.4	0	0	0	0	112.9
200	S	30	Very low	30.4	Very low	91 Å²	91	129.7 Å²	129.7	64%	0.636	73%	0.734	S	S	*	*			cis	-165.7	177.5	30.5	-34.9	0	0	0	0	112.2
201	I	29.9	Very low	30.5	Very low	161 Å²	161	129.6 Å²	129.6	83%	0.826	74%	0.743	S	S	*	*			trans	71.4	144.1	150.7	-67.2	161	0	0	0	117.2
202	S	30.6	Very low	30.6	Very low	90 Å²	90	128.5 Å²	128.5	63%	0.629	75%	0.75	S	S	*	*			cis	-168.9	174.9	-23.9	62.9	0	0	0	0	111.2
203	S	31.2	Very low	30.7	Very low	109 Å²	109	126 Å²	126	76%	0.762	75%	0.75	S	S	*	*			trans	66.5	151.3	156	30.4	0	0	0	0	119.6
204	S	29.6	Very low	31.7	Very low	101 Å²	101	121.2 Å²	121.2	71%	0.706	74%	0.744	S	S	*	*			cis	-163.6	170.7	-6.5	52.4	0	0	0	0	113.8
205	S	30.3	Very low	31.8	Very low	110 Å²	110	118 Å²	118	77%	0.769	74%	0.738	S	S	*	*			trans	69.5	125.2	145.1	49.8	0	0	0	0	123.3
206	S	33.5	Very low	31.9	Very low	118 Å²	118	119.1 Å²	119.1	83%	0.825	74%	0.739	S	S	*	*			trans	-97	176	157.6	-39.6	0	0	0	0	110.9
207	P	47.6	Very low	31.9	Very low	127 Å²	127	120.1 Å²	120.1	83%	0.825	75%	0.746	S	S	*	*				-140.9	-166.7	68	32.8	-10.2	0	0	0	113.1
208	G	29.9	Very low	32.1	Very low	60 Å²	60	121 Å²	121	62%	0.619	75%	0.753	S	S	*	*			cis	148.4	159.4	-11.4	0	0	0	0	0	114
209	Y	31.9	Very low	32.1	Very low	243 Å²	243	117.5 Å²	117.5	95%	0.953	75%	0.748	S	S	*	*			trans	68.7	148.5	179.7	-52.4	-84.3	0	0	0	117.4
210	G	30.7	Very low	32.2	Very low	65 Å²	65	117.7 Å²	117.7	67%	0.67	75%	0.749	S	S	*	*			cis	-179.7	140.7	-9.9	0	0	0	0	0	115.5
211	T	30.2	Very low	32.2	Very low	134 Å²	134	119 Å²	119	82%	0.822	76%	0.758	S	S	*	*			trans	42.7	120.6	149.9	-35.4	0	0	0	0	122.8
212	L	30.3	Very low	32.6	Very low	170 Å²	170	119.4 Å²	119.4	89%	0.89	76%	0.76	S	S	*	*				177	168.9	118	-94.9	170.2	0	0	0	114
213	S	31.6	Very low	33	Very low	105 Å²	105	120.2 Å²	120.2	73%	0.734	76%	0.764	S	S	*	*			trans	-146.6	162.3	179.4	-137.8	0	0	0	0	108.6
214	P	46.8	Very low	32.8	Very low	106 Å²	106	119.8 Å²	119.8	69%	0.688	76%	0.761	S	S	*	*				-150.6	171.8	58.7	42.1	-22.3	0	0	0	118.2
215	S	29.7	Very low	32.8	Very low	82 Å²	82	123.1 Å²	123.1	57%	0.573	77%	0.77	S	S	*	*			trans	50.8	147.6	148.6	59.3	0	0	0	0	121.2
216	H	31.6	Very low	32.8	Very low	166 Å²	166	122.8 Å²	122.8	77%	0.769	77%	0.767	S	S	*	*			cis	-149.4	161.1	29.1	-62.1	-101.9	0	0	0	114.1
217	S	28.6	Very low	32.5	Very low	105 Å²	105	122.5 Å²	122.5	73%	0.734	77%	0.765	S	S	*	*			trans	57.6	99.6	144.7	-59	0	0	0	0	123
218	S	31.6	Very low	31.6	Very low	117 Å²	117	123.8 Å²	123.8	82%	0.818	76%	0.764	S	S	*	*				73.2	111.4	120.1	-56.4	0	0	0	0	123.3
219	S	29.6	Very low	31.6	Very low	105 Å²	105	126.9 Å²	126.9	73%	0.734	77%	0.771	S	S	*	*				112.1	125.4	125.4	-159.3	0	0	0	0	119.7
220	S	30.5	Very low	31.7	Very low	107 Å²	107	121 Å²	121	75%	0.748	77%	0.765	S	S	*	*			trans	51.2	99.4	147.4	57	0	0	0	0	118.7
221	S	30	Very low	31.6	Very low	119 Å²	119	123.7 Å²	123.7	83%	0.832	77%	0.774	S	S	*	*			trans	-121.3	130.3	155.1	-63.9	0	0	0	0	110
222	I	38.7	Very low	31.8	Very low	169 Å²	169	124.8 Å²	124.8	87%	0.867	78%	0.775	S	S	*	*			trans	-128.1	123.4	160.9	-63.8	177	0	0	0	106.6
223	P	38.6	Very low	32.3	Very low	107 Å²	107	122 Å²	122	70%	0.695	77%	0.767	S	S	*	*			trans	-128.8	135.6	143.5	29.6	-15.4	0	0	0	112.3
224	S	28.4	Very low	32.6	Very low	100 Å²	100	123.1 Å²	123.1	70%	0.699	77%	0.772	S	S	*	*			trans	17.5	126.8	136.2	-45	0	0	0	0	119
225	L	28.9	Very low	32.2	Very low	171 Å²	171	124.3 Å²	124.3	90%	0.895	78%	0.778	S	S	*	*				-174.5	166.7	89.1	-94.6	175.4	0	0	0	112.9
226	S	29.7	Very low	32.6	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	79%	0.788	S	S	*	*			trans	-95	143	179.1	52.3	0	0	0	0	113.2
227	S	28.6	Very low	32.6	Very low	113 Å²	113	130 Å²	130	79%	0.79	80%	0.796	S	S	*	*			trans	-178.8	169.2	142.6	-85.2	0	0	0	0	112.8
228	L	28	Very low	32.7	Very low	154 Å²	154	130.3 Å²	130.3	81%	0.806	80%	0.797	S	S	*	*			trans	71.1	109.9	169.8	-48.1	-175.4	0	0	0	115.2
229	T	30.4	Very low	33	Very low	124 Å²	124	130.6 Å²	130.6	76%	0.761	80%	0.797	S	S	*	*				80.1	114.8	54.8	66.8	0	0	0	0	115.7
230	S	32.7	Very low	33	Very low	119 Å²	119	131.1 Å²	131.1	83%	0.832	80%	0.8	S	S	*	*			trans	47.5	103.6	149	-168.6	0	0	0	0	119.7
231	S	29.9	Very low	33.8	Very low	122 Å²	122	132.3 Å²	132.3	85%	0.853	81%	0.805	S	S	*	*			trans	-160	141.5	150.1	-76.6	0	0	0	0	110.5
232	D	33.1	Very low	33.8	Very low	158 Å²	158	131.5 Å²	131.5	85%	0.845	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.4	150.1	177.3	-72.2	-63.8	0	0	0	112.9
233	P	41.7	Very low	33.5	Very low	112 Å²	112	131.4 Å²	131.4	73%	0.727	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.5	137.2	172.8	32.4	-33.3	0	0	0	112.1
234	P	36.6	Very low	33.1	Very low	127 Å²	127	138.3 Å²	138.3	83%	0.825	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77.9	144.4	-176.8	31	-35.6	0	0	0	113.5
235	T	39.5	Very low	33	Very low	132 Å²	132	136.6 Å²	136.6	81%	0.81	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-85	131.1	175.9	-31.3	0	0	0	0	111.6
236	P	37	Very low	33.3	Very low	123 Å²	123	136.5 Å²	136.5	80%	0.799	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-74.2	127.8	171.9	29.6	-32.9	0	0	0	111.1
237	R	32.3	Very low	33.9	Very low	245 Å²	245	136.8 Å²	136.8	93%	0.925	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-89.4	146	174.5	-98.9	-175.2	172.4	-176.2	-2	112.1
238	S	31.5	Very low	33.9	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-65	151.9	167.1	-47.6	0	0	0	0	112
239	P	38	Very low	34	Very low	124 Å²	124	138.7 Å²	138.7	81%	0.805	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-80.5	156.2	178.8	33.4	-35.8	0	0	0	113.1
240	S	30	Very low	33.9	Very low	115 Å²	115	137 Å²	137	80%	0.804	81%	0.807	S	S	*	*			trans	-145.2	149.8	159.3	-75	0	0	0	0	108.8
241	P	46.5	Very low	33.7	Very low	132 Å²	132	139.3 Å²	139.3	86%	0.857	80%	0.804	S	S	*	*			trans	-80.7	168.8	-169.8	33.7	-36.8	0	0	0	113.2
242	A	30.6	Very low	33.4	Very low	102 Å²	102	139 Å²	139	84%	0.843	80%	0.798	S	S	*	*			trans	-123.4	154.3	171.6	0	0	0	0	0	111.1
243	D	31.2	Very low	33.2	Very low	168 Å²	168	138.3 Å²	138.3	90%	0.898	80%	0.8	S	S	*	*			trans	-73.1	164.8	-164.1	-96.5	-60.2	0	0	0	117.5
244	R	30.4	Very low	32.5	Very low	252 Å²	252	138.3 Å²	138.3	95%	0.951	80%	0.802	S	S	*	*			trans	-150.6	87.2	153.9	-152.4	-179	-162.2	-163.5	5.3	114
245	G	27	Very low	33	Very low	64 Å²	64	137.9 Å²	137.9	66%	0.66	80%	0.799	S	S	*	*			trans	131.4	82.1	144.5	0	0	0	0	0	120.2
246	N	33.8	Very low	32.4	Very low	169 Å²	169	136 Å²	136	90%	0.904	80%	0.797	S	S	*	*			trans	63.4	162.3	143.8	-84.4	11.6	0	0	0	121.3
247	P	44.2	Very low	31.9	Very low	108 Å²	108	134.2 Å²	134.2	70%	0.701	79%	0.787	S	S	*	*			trans	-115.8	167.4	-157.1	41.7	-33	0	0	0	115.6
248	L	27.6	Very low	31.7	Very low	151 Å²	151	126.7 Å²	126.7	79%	0.791	77%	0.772	S	S	*	*			trans	-153.9	135.6	137.7	-139.6	71.6	0	0	0	114.1
249	Q	30.1	Very low	31.7	Very low	156 Å²	156	130.6 Å²	130.6	73%	0.729	77%	0.772	S	S	*	*			trans	46.2	102.9	149.4	-81.9	170.2	-37.7	0	0	123.3
250	S	27.8	Very low	31.3	Very low	89 Å²	89	132 Å²	132	62%	0.622	77%	0.772	S	S	*	*				80.9	144.8	110.4	80	0	0	0	0	122.9
251	Q	28.7	Very low	31.2	Very low	166 Å²	166	132.2 Å²	132.2	78%	0.776	77%	0.769	S	S	*	*			trans	64.9	103.9	156.3	-69.4	171.5	94.7	0	0	117
252	T	24.7	Very low	30.4	Very low	116 Å²	116	132.5 Å²	132.5	71%	0.712	76%	0.763	S	S	*	*				56.3	99.4	81.9	65.4	0	0	0	0	115.2
253	T	29	Very low	30.3	Very low	144 Å²	144	137.8 Å²	137.8	88%	0.883	76%	0.762	S	S	*	*				-176.7	130.1	111.4	25.2	0	0	0	0	112
254	S	25.3	Very low	30.1	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	75%	0.751	S	S	*	*			trans	-85.6	178.5	152.2	-43.9	0	0	0	0	108.2
255	P	48.1	Very low	30	Very low	119 Å²	119	127 Å²	127	77%	0.773	74%	0.744	S	S	*	*			cis	-141.1	-156.1	6.6	43.5	-23.4	0	0	0	113.8
256	A	26.7	Very low	30.1	Very low	93 Å²	93	128.5 Å²	128.5	77%	0.769	74%	0.744	S	S	*	*			trans	73.6	145.9	153.8	0	0	0	0	0	117.9
257	S	27.1	Very low	29.9	Very low	84 Å²	84	126 Å²	126	59%	0.587	74%	0.74	S	S	*	*			cis	-153.3	-167.7	-8	48.7	0	0	0	0	111.1	Y259	S257-Y259 PolarHBondContact OG-OH 2.65Å
258	S	28.3	Very low	29.3	Very low	87 Å²	87	126.1 Å²	126.1	61%	0.608	74%	0.743	S	S	*	*			trans	-42.9	166.5	152.2	31.8	0	0	0	0	112.5
259	Y	31.4	Very low	29.6	Very low	193 Å²	193	123.6 Å²	123.6	76%	0.757	74%	0.738	S	S	*	*			cis	-154	135.6	43.2	-9.2	-90	0	0	0	108.7	S257	S257-Y259 PolarHBondContact OG-OH 2.65Å
260	D	27.9	Very low	29.6	Very low	153 Å²	153	120.7 Å²	120.7	82%	0.818	74%	0.735	S	S	*	*				85	152.9	64.4	-157.1	6.9	0	0	0	113.5
261	T	29	Very low	29.7	Very low	120 Å²	120	127.1 Å²	127.1	74%	0.736	75%	0.752	S	S	*	*			trans	86.7	94.9	176.5	-31	0	0	0	0	119
262	L	29.4	Very low	29.6	Very low	138 Å²	138	124 Å²	124	72%	0.723	75%	0.749	S	S	*	*			trans	-24.1	144.2	145.7	-55.4	157.1	0	0	0	117.1
263	Y	29	Very low	29.9	Very low	213 Å²	213	125.2 Å²	125.2	84%	0.835	76%	0.756	S	S	*	*				168.7	163.4	103.6	-107	-79.1	0	0	0	114.2
264	A	27.6	Very low	29.9	Very low	81 Å²	81	123.3 Å²	123.3	67%	0.669	75%	0.749	S	S	*	*			trans	65.5	119.7	160.3	0	0	0	0	0	117.2
265	S	28.1	Very low	30.9	Very low	113 Å²	113	123.9 Å²	123.9	79%	0.79	75%	0.75	S	S	*	*				72.4	135.3	69.3	-64.8	0	0	0	0	113.9
266	S	28.9	Very low	29.9	Very low	94 Å²	94	124 Å²	124	66%	0.657	75%	0.754	S	S	*	*			cis	-168.9	158.7	-6.1	-88.9	0	0	0	0	109.4
267	S	29.7	Very low	30.1	Very low	118 Å²	118	127.6 Å²	127.6	83%	0.825	76%	0.759	S	S	*	*			trans	60.4	166.2	163.5	29.8	0	0	0	0	116.2
268	S	31.6	Very low	30	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	77%	0.767	S	S	*	*			cis	-158.9	166.9	-24.2	54.3	0	0	0	0	104.9
269	S	32.8	Very low	30.5	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	78%	0.779	S	S	*	*			cis	-172	142.5	38.3	51.1	0	0	0	0	111.5
270	S	29.8	Very low	30.4	Very low	95 Å²	95	128.7 Å²	128.7	66%	0.664	79%	0.785	S	S	*	*			trans	39.6	129.4	136.3	65.7	0	0	0	0	123.2
271	F	30.1	Very low	30.6	Very low	223 Å²	223	126 Å²	126	98%	0.978	78%	0.784	S	S	*	*				-134.4	154.3	118.9	-100.2	-77.7	0	0	0	109.8
272	S	28	Very low	30.7	Very low	101 Å²	101	125.4 Å²	125.4	71%	0.706	79%	0.786	S	S	*	*			trans	-146	137	-171.3	178.5	0	0	0	0	112.2
273	T	29.7	Very low	31	Very low	141 Å²	141	125.1 Å²	125.1	87%	0.865	79%	0.792	S	S	*	*			trans	-145.8	140.3	159.7	45.2	0	0	0	0	109.6
274	S	29.9	Very low	31.2	Very low	105 Å²	105	120.1 Å²	120.1	73%	0.734	79%	0.788	S	S	*	*			trans	-153.9	-174.1	-179.9	-52	0	0	0	0	107.2
275	P	46.8	Very low	31.7	Very low	122 Å²	122	121.9 Å²	121.9	79%	0.792	79%	0.792	S	S	*	*			cis	-131.8	-179.5	-10.1	41	-25.6	0	0	0	113.6
276	S	26.4	Very low	32	Very low	122 Å²	122	121 Å²	121	85%	0.853	79%	0.793	S	S	*	*			trans	-153.5	140.9	142.7	-163.9	0	0	0	0	112.3
277	L	30.1	Very low	33	Very low	169 Å²	169	121 Å²	121	89%	0.885	79%	0.788	S	S	*	*			trans	-71	155.5	-160.4	-66	158.8	0	0	0	115.7
278	S	26.3	Very low	33.6	Very low	107 Å²	107	121 Å²	121	75%	0.748	78%	0.783	S	S	*	*			trans	-138.8	143	163.9	-65.7	0	0	0	0	110
279	P	37.6	Very low	33.9	Very low	133 Å²	133	121 Å²	121	86%	0.864	77%	0.773	S	S	*	*			trans	-86.1	127.8	171.1	32.7	-31.1	0	0	0	111.5
280	T	30.8	Very low	34.5	Very low	146 Å²	146	118.6 Å²	118.6	90%	0.896	76%	0.757	S	S	*	*			trans	-81.6	140.9	-179.3	-51.6	0	0	0	0	112.2
281	A	30.3	Very low	35.4	Very low	96 Å²	96	119 Å²	119	79%	0.793	76%	0.756	S	S	*	*			trans	-129.6	137.8	166	0	0	0	0	0	110.7
282	S	32.2	Very low	36.3	Very low	109 Å²	109	113.8 Å²	113.8	76%	0.762	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-75.8	148.7	-174	52.8	0	0	0	0	113.7	S284	S282-S284 PolarHBondContact O-N 3.26Å
283	P	36	Very low	37.7	Very low	131 Å²	131	111.1 Å²	111.1	85%	0.851	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-68	131.6	176.7	28.8	-34.7	0	0	0	112.1
284	S	32.7	Very low	38.6	Very low	108 Å²	108	109.8 Å²	109.8	76%	0.755	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-81.8	152.7	169.8	49.5	0	0	0	0	111.4	S282	S282-S284 PolarHBondContact O-N 3.26Å
285	P	37.9	Very low	39.5	Very low	118 Å²	118	107.8 Å²	107.8	77%	0.766	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-70.2	135.9	-173.2	27.5	-35.1	0	0	0	112.4	V287	P285-V287 PolarHBondContact O-N 2.73Å
286	A	34.4	Very low	39.8	Very low	96 Å²	96	103.6 Å²	103.6	79%	0.793	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-67.7	117.9	178.7	0	0	0	0	0	111.7	V288	A286-V288 PolarHBondContact O-N 3.32Å
287	V	50.1	Low	41.2	Very low	92 Å²	92	103.6 Å²	103.6	56%	0.558	67%	0.668	S	S	*	*			trans	-82.3	102.1	178.3	-179.7	0	0	0	0	109.8	P285 L289	P285-V287 PolarHBondContact O-N 2.73Å; V287-L289 PolarHBondContact O-N 3.3Å
288	V	41.4	Very low	42.3	Very low	118 Å²	118	104.4 Å²	104.4	72%	0.715	66%	0.664	S	S	*	*			trans	-69.5	124.9	176.7	-178.8	0	0	0	0	110.5	A286 S290	A286-V288 PolarHBondContact O-N 3.32Å; V288-S290 VanDerWaalsContact C-N 3.25Å; V288-S290 PolarHBondContact O-N 3.3Å
289	L	37.7	Very low	43.6	Very low	110 Å²	110	106 Å²	106	58%	0.576	66%	0.662	S	S	*	*			trans	-68.9	81.2	168.3	-73	-175.4	0	0	0	110.9	V287 V805	V287-L289 PolarHBondContact O-N 3.3Å; L289-V805 HydrophobicContact CD1-CG2 3.92Å; L289-V805 HydrophobicContact CD2-CG1 4.44Å; L289-V805 HydrophobicContact CD2-CG2 4.25Å; L289-V805 HydrophobicContact CG-CG2 4.11Å
290	S	46.4	Very low	43.8	Very low	48 Å²	48	101.6 Å²	101.6	34%	0.336	64%	0.64	S	S	.	*			trans	-111.9	144.8	175.3	-175.2	0	0	0	0	111.5	V288 N292 S293	V288-S290 VanDerWaalsContact C-N 3.25Å; V288-S290 PolarHBondContact O-N 3.3Å; S290-N292 PolarHBondContact O-N 3.39Å; S290-N292 VanDerWaalsContact O-N 3.16Å; S290-N292 WeakPolarHBondContact OG-CB 3.41Å; S290-N292 PolarHBondContact OG-N 3.36Å; S290-N292 VanDerWaalsContact OG-N 3.08Å; S290-S293 PolarHBondContact O-N 2.87Å
291	T	48.8	Very low	44.7	Very low	105 Å²	105	100.5 Å²	100.5	64%	0.644	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-15.6	164.6	46.8	0	0	0	0	113	S293 A296	T291-S293 VanDerWaalsContact C-N 3.29Å; T291-S293 PolarHBondContact O-N 3.36Å; T291-A296 VanDerWaalsContact O-CB 3.24Å; T291-A296 WeakPolarHBondContact O-CB 3.15Å
292	N	48.4	Very low	45.4	Very low	112 Å²	112	103.9 Å²	103.9	60%	0.599	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	15.2	-174.2	-51.6	-12.5	0	0	0	112.4	S290 L297	S290-N292 PolarHBondContact O-N 3.39Å; S290-N292 VanDerWaalsContact O-N 3.16Å; S290-N292 WeakPolarHBondContact OG-CB 3.41Å; S290-N292 PolarHBondContact OG-N 3.36Å; S290-N292 VanDerWaalsContact OG-N 3.08Å; N292-L297 WeakPolarHBondContact O-CD1 3.28Å
293	S	57.7	Low	45.9	Very low	46 Å²	46	107.5 Å²	107.5	32%	0.322	64%	0.638	S	S	.	*	S	Bend	trans	-65.5	148.4	178.2	79.2	0	0	0	0	111.3	S290 T291 A295 A296 L297	S290-S293 PolarHBondContact O-N 2.87Å; T291-S293 VanDerWaalsContact C-N 3.29Å; T291-S293 PolarHBondContact O-N 3.36Å; S293-A295 PolarHBondContact O-N 2.69Å; S293-A295 VanDerWaalsContact O-N 3.1Å; S293-A296 PolarHBondContact O-N 2.65Å; S293-A296 WeakPolarHBondContact OG-CB 3.49Å; S293-A296 PolarHBondContact OG-N 3.21Å; S293-L297 WeakPolarHBondContact O-CG 3.41Å; S293-L297 PolarHBondContact O-N 2.69Å
294	P	49.3	Very low	45.9	Very low	112 Å²	112	107.7 Å²	107.7	73%	0.727	63%	0.631	S	S	*	*	H	α-helix	trans	-57.6	-27	178.4	-27.3	35.7	0	0	0	114	K298	P294-K298 WeakPolarHBondContact O-CB 3.19Å; P294-K298 PolarHBondContact O-N 3.3Å
295	A	48.1	Very low	46	Very low	63 Å²	63	108.4 Å²	108.4	52%	0.521	63%	0.625	S	S	.	*	H	α-helix	trans	-71.9	-46.3	174.1	0	0	0	0	0	112	S293 K298 M299	S293-A295 PolarHBondContact O-N 2.69Å; S293-A295 VanDerWaalsContact O-N 3.1Å; A295-K298 PolarHBondContact O-N 3.24Å; A295-M299 WeakPolarHBondContact O-CG 3.36Å; A295-M299 PolarHBondContact O-N 3.41Å
296	A	53.5	Low	45.8	Very low	34 Å²	34	107.7 Å²	107.7	28%	0.281	62%	0.621	S	S	.	*	H	α-helix	trans	-63.9	-42.7	178.2	0	0	0	0	0	112	T291 S293 K298 G300	T291-A296 VanDerWaalsContact O-CB 3.24Å; T291-A296 WeakPolarHBondContact O-CB 3.15Å; S293-A296 PolarHBondContact O-N 2.65Å; S293-A296 WeakPolarHBondContact OG-CB 3.49Å; S293-A296 PolarHBondContact OG-N 3.21Å; A296-K298 VanDerWaalsContact C-N 3.28Å; A296-K298 PolarHBondContact O-N 3.41Å; A296-G300 PolarHBondContact O-N 2.86Å
297	L	56.3	Low	46	Very low	122 Å²	122	113.2 Å²	113.2	64%	0.639	63%	0.627	S	S	*	*	H	α-helix	trans	-66.2	-27.8	176.6	-65.7	174.1	0	0	0	113.2	N292 S293	N292-L297 WeakPolarHBondContact O-CD1 3.28Å; S293-L297 WeakPolarHBondContact O-CG 3.41Å; S293-L297 PolarHBondContact O-N 2.69Å
298	K	52.9	Low	45.6	Very low	186 Å²	186	111.6 Å²	111.6	81%	0.809	63%	0.629	S	S	*	*	H	α-helix	trans	-87	-26.7	-179.1	-170.4	175	-177.8	-177.6	0	113.8	P294 A295 A296	P294-K298 WeakPolarHBondContact O-CB 3.19Å; P294-K298 PolarHBondContact O-N 3.3Å; A295-K298 PolarHBondContact O-N 3.24Å; A296-K298 VanDerWaalsContact C-N 3.28Å; A296-K298 PolarHBondContact O-N 3.41Å
299	M	52.5	Low	45.3	Very low	141 Å²	141	113.3 Å²	113.3	70%	0.695	63%	0.633	S	S	*	*	H	α-helix	trans	-90.2	-21.2	174.2	-62.9	-63.1	-75.6	0	0	112.8	A295	A295-M299 WeakPolarHBondContact O-CG 3.36Å; A295-M299 PolarHBondContact O-N 3.41Å
300	G	42	Very low	45.4	Very low	40 Å²	40	112.2 Å²	112.2	41%	0.412	64%	0.64	S	S	.	*			trans	84.3	156.4	-176.1	0	0	0	0	0	112.9	A296 Q302	A296-G300 PolarHBondContact O-N 2.86Å; G300-Q302 PolarHBondContact O-N 2.92Å
301	T	49.1	Very low	44.7	Very low	123 Å²	123	115 Å²	115	76%	0.755	66%	0.659	S	S	*	*	S	Bend	trans	-81.9	8.1	176.9	48.4	0	0	0	0	113.4
302	Q	46.5	Very low	43.8	Very low	167 Å²	167	117.4 Å²	117.4	78%	0.78	67%	0.669	S	S	*	*	S	Bend	trans	-76.1	133.7	-179.5	-69.3	-174.5	-8	0	0	111.2	G300 L304	G300-Q302 PolarHBondContact O-N 2.92Å; Q302-L304 PolarHBondContact O-N 3.17Å
303	Q	41.8	Very low	42.9	Very low	186 Å²	186	119.8 Å²	119.8	87%	0.869	68%	0.68	S	S	*	*			trans	-63.8	103.3	171.3	-173.9	175.9	5.2	0	0	109.1	I305	Q303-I305 PolarHBondContact O-N 2.88Å
304	L	37.3	Very low	41.5	Very low	135 Å²	135	128.8 Å²	128.8	71%	0.707	71%	0.706	S	S	*	*			trans	-66.3	101.5	-178.3	-75	170.6	0	0	0	110.7	Q302 P306	Q302-L304 PolarHBondContact O-N 3.17Å; L304-P306 WeakPolarHBondContact O-CD 3.24Å
305	I	34.8	Very low	40.8	Very low	122 Å²	122	132 Å²	132	63%	0.626	71%	0.712	S	S	*	*			trans	-66.5	125.7	161.8	-59.2	175.8	0	0	0	107.2	Q303 L309	Q303-I305 PolarHBondContact O-N 2.88Å; I305-L309 HydrophobicContact CG2-CD1 3.76Å
306	P	33.6	Very low	39.7	Very low	104 Å²	104	135.5 Å²	135.5	68%	0.675	73%	0.727	S	S	*	*			trans	-57.1	145.1	178.2	-27	35.8	0	0	0	112.5	L304 G308	L304-P306 WeakPolarHBondContact O-CD 3.24Å; P306-G308 PolarHBondContact O-N 3Å
307	K	38	Very low	38.5	Very low	212 Å²	212	143.8 Å²	143.8	92%	0.922	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	29.8	-174.4	-66.5	-176.4	177.7	176.7	0	114.6
308	G	40.7	Very low	37.5	Very low	58 Å²	58	142.5 Å²	142.5	60%	0.598	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-10.5	171.2	0	0	0	0	0	114.4	P306	P306-G308 PolarHBondContact O-N 3Å
309	L	36.5	Very low	36.3	Very low	153 Å²	153	139.3 Å²	139.3	80%	0.801	76%	0.761	S	S	*	*	S	Bend	trans	-98.8	18.8	-175.2	-70.9	172.4	0	0	0	114.5	I305	I305-L309 HydrophobicContact CG2-CD1 3.76Å
310	A	39.1	Very low	35.6	Very low	88 Å²	88	138.7 Å²	138.7	73%	0.727	77%	0.768	S	S	*	*			trans	-137.8	66.1	179.6	0	0	0	0	0	111.3	D312	A310-D312 PolarHBondContact O-N 3.22Å
311	S	31.4	Very low	35.1	Very low	106 Å²	106	143.8 Å²	143.8	74%	0.741	79%	0.792	S	S	*	*			trans	-85.4	105.8	-179.1	-60.4	0	0	0	0	112	I313	S311-I313 PolarHBondContact O-N 2.8Å
312	D	29.5	Very low	34.1	Very low	156 Å²	156	141.2 Å²	141.2	83%	0.834	79%	0.789	S	S	*	*			trans	-60.3	124.6	163.4	-91.3	-45.8	0	0	0	110.2	A310 R314	A310-D312 PolarHBondContact O-N 3.22Å; D312-R314 PolarHBondContact O-N 2.92Å
313	I	30.3	Very low	33.4	Very low	162 Å²	162	139.3 Å²	139.3	83%	0.831	79%	0.789	S	S	*	*			trans	-76.3	113.4	172.1	-64.4	176.3	0	0	0	109	S311	S311-I313 PolarHBondContact O-N 2.8Å
314	R	28.2	Very low	32.8	Very low	234 Å²	234	138.7 Å²	138.7	88%	0.883	79%	0.786	S	S	*	*			trans	-126.5	127.3	161.3	-72.7	-167.8	174.9	-152.9	-0.4	110.8	D312	D312-R314 PolarHBondContact O-N 2.92Å
315	Q	33.9	Very low	32.4	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	79%	0.794	S	S	*	*			trans	-74.7	138.9	176.9	-57.7	166.4	-11.9	0	0	110.7
316	T	26.7	Very low	32	Very low	135 Å²	135	144.9 Å²	144.9	83%	0.828	80%	0.804	S	S	*	*			trans	-169.6	131.7	135.9	18.2	0	0	0	0	113.2
317	K	28.3	Very low	31.6	Very low	209 Å²	209	143.1 Å²	143.1	91%	0.909	80%	0.804	S	S	*	*			trans	45.4	135.5	150.1	-80.8	-178.4	169.2	-179.7	0	121.8
318	A	33.6	Very low	31.3	Very low	95 Å²	95	140.3 Å²	140.3	79%	0.785	80%	0.798	S	S	*	*			trans	-104.3	155.2	169.1	0	0	0	0	0	113
319	P	29.7	Very low	30.7	Very low	118 Å²	118	143 Å²	143	77%	0.766	80%	0.799	S	S	*	*			trans	-98.8	171.2	159.8	37.4	-29.9	0	0	0	112.4
320	P	37.5	Very low	30.5	Very low	128 Å²	128	144.4 Å²	144.4	83%	0.831	80%	0.801	S	S	*	*			trans	-95.9	176.2	-161.9	37.7	-37.4	0	0	0	117
321	T	30.7	Very low	30.1	Very low	148 Å²	148	145.1 Å²	145.1	91%	0.908	80%	0.801	S	S	*	*			trans	-79.1	157.3	-176.5	43.9	0	0	0	0	115.5
322	G	28.9	Very low	30.3	Very low	69 Å²	69	149.5 Å²	149.5	71%	0.711	81%	0.807	S	S	*	*			trans	-171.8	100.5	171.3	0	0	0	0	0	117.9
323	T	30.6	Very low	30.3	Very low	126 Å²	126	153.4 Å²	153.4	77%	0.773	81%	0.809	S	S	*	*			trans	67.9	104.5	135	-47.2	0	0	0	0	123.3
324	Q	28.9	Very low	30.2	Very low	174 Å²	174	150.5 Å²	150.5	81%	0.813	81%	0.81	S	S	*	*			trans	41.6	132.2	134.8	-51.5	178.4	11.6	0	0	124
325	R	28.7	Very low	30.2	Very low	228 Å²	228	147.6 Å²	147.6	86%	0.86	81%	0.808	S	S	*	*				148.5	164.9	119.1	-81.5	179.9	73.8	-175.5	2.8	112
326	L	26.5	Very low	29.8	Very low	159 Å²	159	148.1 Å²	148.1	83%	0.832	81%	0.808	S	S	*	*				-172.4	121.6	-51.4	-144.6	171.8	0	0	0	108.3
327	G	27	Very low	29.8	Very low	66 Å²	66	147.4 Å²	147.4	68%	0.68	80%	0.803	S	S	*	*			trans	82.2	165.4	169.8	0	0	0	0	0	116.9
328	L	30.3	Very low	29.7	Very low	154 Å²	154	145.2 Å²	145.2	81%	0.806	80%	0.8	S	S	*	*			cis	-158.8	160.4	-12.8	-164.9	63.2	0	0	0	110.5
329	D	28.7	Very low	29.3	Very low	115 Å²	115	145.2 Å²	145.2	62%	0.615	80%	0.795	S	S	*	*			trans	-23	155.7	173.3	-67.2	-76.8	0	0	0	119.8
330	H	32.6	Very low	29.4	Very low	181 Å²	181	147.6 Å²	147.6	84%	0.838	80%	0.797	S	S	*	*				-156.1	163.6	57.2	-76.9	73	0	0	0	116.3
331	S	29.6	Very low	28.9	Very low	103 Å²	103	148 Å²	148	72%	0.72	80%	0.797	S	S	*	*			trans	-111.7	152.9	-175.9	-71.1	0	0	0	0	115.3
332	K	35.3	Very low	28.7	Very low	199 Å²	199	149.8 Å²	149.8	87%	0.865	80%	0.795	S	S	*	*			trans	155.8	113.3	135.2	-83.6	154.1	-170.5	174.7	0	109.3
333	R	30.3	Very low	28.6	Very low	237 Å²	237	151.3 Å²	151.3	89%	0.894	80%	0.801	S	S	*	*				80.6	108.4	67.7	-178.5	-171	-93.9	-169.8	-3.9	113.4
334	A	27.5	Very low	28.3	Very low	101 Å²	101	148.3 Å²	148.3	84%	0.835	80%	0.796	S	S	*	*			trans	-140.5	153.6	151.8	0	0	0	0	0	108.7
335	M	28.1	Very low	28.2	Very low	173 Å²	173	142.8 Å²	142.8	85%	0.852	79%	0.785	S	S	*	*			trans	-137.4	135.5	-177.4	-75.1	-120.3	-63.2	0	0	111.5
336	K	27.6	Very low	28.2	Very low	193 Å²	193	142.3 Å²	142.3	84%	0.839	79%	0.785	S	S	*	*				179	125.6	123	-100.9	-168.4	172.8	-176.7	0	113.6
337	V	25.9	Very low	28.1	Very low	119 Å²	119	145 Å²	145	72%	0.721	79%	0.79	S	S	*	*				51	116.6	129.8	-174.3	0	0	0	0	119.6
338	L	26.7	Very low	28.1	Very low	164 Å²	164	146.8 Å²	146.8	86%	0.859	79%	0.792	S	S	*	*				-173.1	155.3	113.1	-102.6	-179.9	0	0	0	114.4
339	S	25.3	Very low	28	Very low	95 Å²	95	146 Å²	146	66%	0.664	79%	0.794	S	S	*	*			trans	66.5	99.6	152.3	-164	0	0	0	0	122.8
340	M	29.9	Very low	27.8	Very low	168 Å²	168	144.6 Å²	144.6	83%	0.828	81%	0.807	S	S	*	*				33.5	147.3	122.8	-56.2	-158.6	-54.3	0	0	124.2
341	V	28.8	Very low	27.5	Very low	137 Å²	137	139.9 Å²	139.9	83%	0.83	81%	0.807	S	S	*	*			trans	68.8	103.1	164.1	-179.4	0	0	0	0	115.7
342	E	25.5	Very low	27.4	Very low	184 Å²	184	138 Å²	138	86%	0.86	80%	0.803	S	S	*	*			trans	-122.2	107.3	169	-173.2	165.7	-150.8	0	0	110.7	G344	E342-G344 VanDerWaalsContact C-N 3.31Å; E342-G344 PolarHBondContact O-N 2.9Å
343	A	27.3	Very low	27.1	Very low	101 Å²	101	137.2 Å²	137.2	84%	0.835	80%	0.802	S	S	*	*			trans	-87.4	72	169.8	0	0	0	0	0	109.4	G345	A343-G345 PolarHBondContact O-N 3.47Å
344	G	24.9	Very low	26.9	Very low	64 Å²	64	131.7 Å²	131.7	66%	0.66	80%	0.795	S	S	*	*			trans	-67.9	124.1	-176.5	0	0	0	0	0	113.3	E342	E342-G344 VanDerWaalsContact C-N 3.31Å; E342-G344 PolarHBondContact O-N 2.9Å
345	G	26.9	Very low	27	Very low	57 Å²	57	135.5 Å²	135.5	59%	0.588	79%	0.793	S	S	*	*			trans	-133.5	116.9	163.9	0	0	0	0	0	109.4	A343	A343-G345 PolarHBondContact O-N 3.47Å
346	Y	27.1	Very low	26.9	Very low	219 Å²	219	136.1 Å²	136.1	86%	0.859	79%	0.794	S	S	*	*			trans	-151	141.6	173.8	-82.5	-68.5	0	0	0	111.5
347	F	24.3	Very low	27	Very low	216 Å²	216	132 Å²	132	95%	0.947	80%	0.795	S	S	*	*			trans	-119.5	127.3	156.2	-89.3	-92.2	0	0	0	107.3
348	S	27.9	Very low	27.1	Very low	102 Å²	102	136 Å²	136	71%	0.713	81%	0.807	S	S	*	*				175.7	136.5	126	-159.8	0	0	0	0	113.2
349	T	28.2	Very low	27.2	Very low	138 Å²	138	131.7 Å²	131.7	85%	0.847	80%	0.802	S	S	*	*			trans	29.9	117	146.8	57.7	0	0	0	0	121.7
350	G	24.8	Very low	27.7	Very low	86 Å²	86	136.6 Å²	136.6	89%	0.887	81%	0.814	S	S	*	*			trans	-162.1	151.6	153.5	0	0	0	0	0	109.6
351	G	25.9	Very low	27.7	Very low	82 Å²	82	135.2 Å²	135.2	85%	0.845	82%	0.815	S	S	*	*			trans	-159.7	149.4	-174.7	0	0	0	0	0	115.9
352	G	27.7	Very low	27.7	Very low	62 Å²	62	138 Å²	138	64%	0.639	82%	0.819	S	S	*	*			trans	81.1	138.5	-175.2	0	0	0	0	0	113.3
353	H	28.2	Very low	27.6	Very low	183 Å²	183	134.5 Å²	134.5	85%	0.847	82%	0.815	S	S	*	*			cis	-152.1	-178.4	-8.5	-76.4	-79	0	0	0	107.1
354	T	25.8	Very low	27.9	Very low	122 Å²	122	136.1 Å²	136.1	75%	0.748	82%	0.817	S	S	*	*			cis	-159.4	-176.9	16.1	-26.3	0	0	0	0	109.6
355	K	30.6	Very low	28.3	Very low	181 Å²	181	136.4 Å²	136.4	79%	0.787	82%	0.82	S	S	*	*			trans	78.6	82.6	162.4	-55.8	-151	176.6	-168.6	0	119.3
356	E	25.8	Very low	28.4	Very low	186 Å²	186	138.2 Å²	138.2	87%	0.869	83%	0.829	S	S	*	*				40.5	107.7	111.4	-63.3	162.2	-178.1	0	0	120
357	A	29.4	Very low	28.7	Very low	105 Å²	105	135.7 Å²	135.7	87%	0.868	83%	0.829	S	S	*	*				-161.5	155.9	130	0	0	0	0	0	109
358	E	28.6	Very low	29.2	Very low	205 Å²	205	135.4 Å²	135.4	96%	0.958	82%	0.822	S	S	*	*			trans	-87.9	157.5	-174.8	-63.6	-169.9	138.8	0	0	114.3
359	G	28.5	Very low	29.5	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	83%	0.834	S	S	*	*			trans	166.9	112.1	170	0	0	0	0	0	112.4
360	E	35.8	Very low	29.6	Very low	198 Å²	198	139.4 Å²	139.4	93%	0.925	82%	0.821	S	S	*	*			trans	-75	128.9	176.1	-65.6	-169.8	129.9	0	0	111.6
361	T	29	Very low	30.2	Very low	139 Å²	139	140.8 Å²	140.8	85%	0.853	81%	0.807	S	S	*	*			trans	-153.3	122.6	160.3	-45.1	0	0	0	0	110.3
362	E	28.7	Very low	30.6	Very low	195 Å²	195	147.4 Å²	147.4	91%	0.911	81%	0.807	S	S	*	*			trans	-76.8	126.9	-176.1	-166.5	176.1	-163.5	0	0	111.7
363	S	24.4	Very low	31	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	80%	0.799	S	S	*	*			trans	-100.3	119.7	-171.4	-166.9	0	0	0	0	113.3	G365	S363-G365 PolarHBondContact O-N 2.65Å
364	P	32.7	Very low	31.3	Very low	135 Å²	135	142 Å²	142	88%	0.877	78%	0.777	S	S	*	*			trans	-85.1	96	-174.3	32.3	-34.5	0	0	0	112.9
365	G	34.7	Very low	32	Very low	70 Å²	70	137 Å²	137	72%	0.722	75%	0.747	S	S	*	*			trans	-132.3	-8	-177.8	0	0	0	0	0	118.1	S363 L367	S363-G365 PolarHBondContact O-N 2.65Å; G365-L367 PolarHBondContact O-N 3.42Å
366	A	29.3	Very low	32.4	Very low	94 Å²	94	129.8 Å²	129.8	78%	0.777	72%	0.715	S	S	*	*			trans	-94.2	82.9	-167.3	0	0	0	0	0	114.4	R368	A366-R368 PolarHBondContact O-N 2.86Å
367	L	32.1	Very low	33.1	Very low	166 Å²	166	126.5 Å²	126.5	87%	0.869	70%	0.695	S	S	*	*			trans	-60.7	97.7	176.2	-88.6	167.7	0	0	0	113.1	G365	G365-L367 PolarHBondContact O-N 3.42Å
368	R	34.7	Very low	33.6	Very low	211 Å²	211	126.7 Å²	126.7	80%	0.796	67%	0.673	S	S	*	*			trans	-71.4	129.7	176.6	-68.7	-169.1	179.3	-166.6	2.1	111.6	A366 A370	A366-R368 PolarHBondContact O-N 2.86Å; R368-A370 PolarHBondContact O-N 2.71Å
369	R	35.2	Very low	34.3	Very low	254 Å²	254	117.4 Å²	117.4	96%	0.958	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	11.3	-170.9	-155.9	174.7	-70.4	120.7	-1.3	116.2
370	A	29.1	Very low	34.9	Very low	69 Å²	69	114.6 Å²	114.6	57%	0.57	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-13.5	-169.2	0	0	0	0	0	115.5	R368 R372	R368-A370 PolarHBondContact O-N 2.71Å; A370-R372 PolarHBondContact O-N 3.48Å; A370-R372 VanDerWaalsContact O-N 3.13Å
371	L	38.3	Very low	35	Very low	116 Å²	116	106.6 Å²	106.6	61%	0.607	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-3.8	-168.9	-66.7	170.3	0	0	0	115.8	T374	L371-T374 PolarHBondContact O-OG1 2.9Å; L371-T374 VanDerWaalsContact O-OG1 3.13Å
372	R	34.8	Very low	35.4	Very low	221 Å²	221	102.2 Å²	102.2	83%	0.834	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.9	-175.2	-69.8	-176.9	178.7	162.8	-1.8	115.2	A370	A370-R372 PolarHBondContact O-N 3.48Å; A370-R372 VanDerWaalsContact O-N 3.13Å
373	S	34.8	Very low	35.7	Very low	68 Å²	68	97.6 Å²	97.6	48%	0.476	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-2.4	176.7	58.8	0	0	0	0	113.9
374	T	36	Very low	36.1	Very low	62 Å²	62	98.4 Å²	98.4	38%	0.38	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-31.1	179.2	52.3	0	0	0	0	113	L371 R377 R378	L371-T374 PolarHBondContact O-OG1 2.9Å; L371-T374 VanDerWaalsContact O-OG1 3.13Å; T374-R377 PolarHBondContact O-N 3.38Å; T374-R378 PolarHBondContact O-N 3Å
375	S	40.1	Very low	36	Very low	17 Å²	17	99 Å²	99	12%	0.119	51%	0.511	C	S	.	.	H	α-helix	trans	-65.5	-44.1	-175.1	71.3	0	0	0	0	113.5	R377 R378 A379	S375-R377 VanDerWaalsContact C-N 3.26Å; S375-R377 PolarHBondContact O-N 3.36Å; S375-R378 PolarHBondContact O-N 2.75Å; S375-R378 VanDerWaalsContact O-N 3.1Å; S375-A379 WeakPolarHBondContact O-CB 3.44Å; S375-A379 PolarHBondContact O-N 2.8Å
376	Y	38.5	Very low	35.7	Very low	30 Å²	30	104.7 Å²	104.7	12%	0.118	52%	0.516	C	S	.	.	H	α-helix	trans	-53.1	-47.4	176	-179.9	-93.1	0	0	0	110.9	A379 V380 Q671 R675	Y376-A379 PolarHBondContact O-N 3.09Å; Y376-V380 HydrophobicContact CD1-CG2 4.11Å; Y376-V380 HydrophobicContact CD2-CG1 4.31Å; Y376-V380 HydrophobicContact CE1-CG1 4.3Å; Y376-V380 HydrophobicContact CE1-CG2 3.67Å; Y376-V380 HydrophobicContact CE2-CG1 3.92Å; Y376-V380 WeakPolarHBondContact O-CG2 3.24Å; Y376-V380 PolarHBondContact O-N 2.79Å; Y376-Q671 HydrophobicContact CD2-CB 4.18Å; Y376-R675 WeakPolarHBondContact OH-CD 3.38Å
377	R	39.8	Very low	35.6	Very low	118 Å²	118	107 Å²	107	45%	0.445	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-50.6	175.2	-85.1	-173.3	-85.1	-150.9	-9.8	111.8	T374 S375 A379 V380 V381 N480	T374-R377 PolarHBondContact O-N 3.38Å; S375-R377 VanDerWaalsContact C-N 3.26Å; S375-R377 PolarHBondContact O-N 3.36Å; R377-A379 PolarHBondContact O-N 3.41Å; R377-V380 PolarHBondContact O-N 3.5Å; R377-V381 WeakPolarHBondContact O-CA 3.39Å; R377-V381 WeakPolarHBondContact O-CB 3.17Å; R377-V381 WeakPolarHBondContact O-CG2 3.36Å; R377-V381 PolarHBondContact O-N 3.23Å; R377-N480 PolarHBondContact NH1-OD1 3.04Å; R377-N480 PolarHBondContact NH2-OD1 2.88Å
378	R	41.3	Very low	35.4	Very low	108 Å²	108	105.7 Å²	105.7	41%	0.408	51%	0.514	S	S	.	.	H	α-helix	trans	-66.8	-22.4	-178.2	-62.9	-166.3	74.8	-156.2	-1.6	114.4	T374 S375 Y501 L660	T374-R378 PolarHBondContact O-N 3Å; S375-R378 PolarHBondContact O-N 2.75Å; S375-R378 VanDerWaalsContact O-N 3.1Å; R378-Y501 PolarHBondContact NE-OH 3.4Å; R378-L660 HydrophobicContact CB-CD2 3.95Å
379	A	42.3	Very low	35	Very low	11 Å²	11	101.4 Å²	101.4	9%	0.091	51%	0.512	C	S	.	.	H	α-helix	trans	-78	-57.6	172.3	0	0	0	0	0	111.5	S375 Y376 R377 V381 L660	S375-A379 WeakPolarHBondContact O-CB 3.44Å; S375-A379 PolarHBondContact O-N 2.8Å; Y376-A379 PolarHBondContact O-N 3.09Å; R377-A379 PolarHBondContact O-N 3.41Å; A379-V381 VanDerWaalsContact C-N 3.27Å; A379-V381 PolarHBondContact O-N 2.92Å; A379-L660 HydrophobicContact CB-CD1 4.03Å
380	V	41.5	Very low	34.7	Very low	14 Å²	14	96 Å²	96	9%	0.085	50%	0.501	C	S	.	.	H	α-helix	trans	-80.1	-5.5	-175.8	-45.4	0	0	0	0	114	Y376 R377	Y376-V380 HydrophobicContact CD1-CG2 4.11Å; Y376-V380 HydrophobicContact CD2-CG1 4.31Å; Y376-V380 HydrophobicContact CE1-CG1 4.3Å; Y376-V380 HydrophobicContact CE1-CG2 3.67Å; Y376-V380 HydrophobicContact CE2-CG1 3.92Å; Y376-V380 WeakPolarHBondContact O-CG2 3.24Å; Y376-V380 PolarHBondContact O-N 2.79Å; R377-V380 PolarHBondContact O-N 3.5Å
381	V	37	Very low	34.6	Very low	30 Å²	30	98.5 Å²	98.5	18%	0.182	51%	0.509	C	S	.	.	S	Bend	trans	-130.1	86.5	-175.9	-169.6	0	0	0	0	111.3	R377 A379 P503 I504	R377-V381 WeakPolarHBondContact O-CA 3.39Å; R377-V381 WeakPolarHBondContact O-CB 3.17Å; R377-V381 WeakPolarHBondContact O-CG2 3.36Å; R377-V381 PolarHBondContact O-N 3.23Å; A379-V381 VanDerWaalsContact C-N 3.27Å; A379-V381 PolarHBondContact O-N 2.92Å; V381-P503 HydrophobicContact CG1-CB 3.99Å; V381-I504 HydrophobicContact CG1-CG1 4.41Å
382	T	38.9	Very low	34	Very low	47 Å²	47	100.4 Å²	100.4	29%	0.288	52%	0.515	S	S	.	.				179.1	114.5	129.3	34.7	0	0	0	0	108.8	Y501 R658	T382-Y501 HydrophobicContact CG2-CD1 4.41Å; T382-Y501 HydrophobicContact CG2-CE1 3.94Å; T382-R658 PolarHBondContact O-NH1 2.96Å; T382-R658 PolarHBondContact O-NH2 3.48Å; T382-R658 PolarHBondContact OG1-NH1 3.06Å
383	E	33.7	Very low	33.6	Very low	98 Å²	98	97.2 Å²	97.2	46%	0.458	51%	0.513	S	S	.	.			trans	-133.5	175.9	153.6	-72.9	-156.5	126	0	0	107.5
384	V	34.3	Very low	33.1	Very low	127 Å²	127	101.9 Å²	101.9	77%	0.77	53%	0.525	S	S	*	.			trans	85.7	120.5	-152.4	-177.8	0	0	0	0	110.6
385	D	30.6	Very low	32.7	Very low	147 Å²	147	106.2 Å²	106.2	79%	0.786	54%	0.543	S	S	*	.	S	Bend	cis	-118.3	131.2	5.5	-83.1	-65.1	0	0	0	113.3
386	K	27.3	Very low	32	Very low	190 Å²	190	111 Å²	111	83%	0.826	57%	0.574	S	S	*	*	S	Bend	trans	-177.1	106.8	140.6	-104.7	168	-176.7	-177	0	110.9
387	D	28.6	Very low	31.3	Very low	143 Å²	143	115.8 Å²	115.8	77%	0.765	61%	0.606	S	S	*	*			trans	39.8	84.8	156.5	-51.3	-36.7	0	0	0	118.9
388	V	27.2	Very low	30.8	Very low	138 Å²	138	119.1 Å²	119.1	84%	0.836	63%	0.629	S	S	*	*			trans	-93.8	86.7	151.4	-179.2	0	0	0	0	108.5	L390	V388-L390 VanDerWaalsContact C-N 3.28Å; V388-L390 PolarHBondContact O-N 3.07Å
389	T	25	Very low	30	Very low	121 Å²	121	123.3 Å²	123.3	74%	0.742	65%	0.653	S	S	*	*			trans	-76.4	78.5	170	37.5	0	0	0	0	110.4	V391	T389-V391 PolarHBondContact O-N 3.4Å
390	L	29.8	Very low	29.1	Very low	141 Å²	141	126 Å²	126	74%	0.738	68%	0.682	S	S	*	*			trans	-55.9	121.3	167.8	-171.5	89	0	0	0	108.9	V388 E392	V388-L390 VanDerWaalsContact C-N 3.28Å; V388-L390 PolarHBondContact O-N 3.07Å; L390-E392 PolarHBondContact O-N 3.21Å
391	V	27.6	Very low	28.5	Very low	121 Å²	121	133 Å²	133	73%	0.733	72%	0.718	S	S	*	*			trans	-59	120.8	-174	177.9	0	0	0	0	110.9	T389 L393	T389-V391 PolarHBondContact O-N 3.4Å; V391-L393 PolarHBondContact O-N 3Å
392	E	24.4	Very low	27.9	Very low	157 Å²	157	140 Å²	140	73%	0.734	75%	0.749	S	S	*	*			trans	-73.8	89.7	179.4	-169.7	-176.3	161.4	0	0	110.6	L390 K394	L390-E392 PolarHBondContact O-N 3.21Å; E392-K394 VanDerWaalsContact C-N 3.31Å; E392-K394 PolarHBondContact O-N 3.43Å
393	L	27.2	Very low	27.2	Very low	153 Å²	153	145 Å²	145	80%	0.801	77%	0.774	S	S	*	*			trans	-69.3	86.8	172.8	-83.4	172.4	0	0	0	111.1	V391 M395	V391-L393 PolarHBondContact O-N 3Å; L393-M395 PolarHBondContact O-N 3.06Å
394	K	25.3	Very low	27.6	Very low	166 Å²	166	146.1 Å²	146.1	72%	0.722	79%	0.79	S	S	*	*			trans	-77.7	109	-179.9	-165.5	159.6	-171.1	157.6	0	111.3	E392	E392-K394 VanDerWaalsContact C-N 3.31Å; E392-K394 PolarHBondContact O-N 3.43Å
395	M	26.6	Very low	27.1	Very low	153 Å²	153	143.8 Å²	143.8	75%	0.754	79%	0.791	S	S	*	*			trans	-69.7	131.8	166.4	-69.6	-67.6	100.4	0	0	109.9	L393	L393-M395 PolarHBondContact O-N 3.06Å
396	P	25.4	Very low	26.8	Very low	118 Å²	118	142.5 Å²	142.5	77%	0.766	79%	0.794	S	S	*	*			trans	-80.1	133.9	178.1	31.6	-33.4	0	0	0	111.5
397	V	24.4	Very low	27.2	Very low	131 Å²	131	138.9 Å²	138.9	79%	0.794	79%	0.79	S	S	*	*			trans	-121.3	130.6	162.6	174.7	0	0	0	0	106.4
398	M	28.2	Very low	27.1	Very low	187 Å²	187	138.8 Å²	138.8	92%	0.921	79%	0.794	S	S	*	*			trans	-85.2	142.7	168.9	-69.3	-163.5	-61.7	0	0	109.9
399	E	24.6	Very low	26.9	Very low	196 Å²	196	136.1 Å²	136.1	92%	0.916	80%	0.795	S	S	*	*			trans	-127	152.8	165.1	-90.5	-164.1	150.4	0	0	110.6
400	G	24.3	Very low	27	Very low	69 Å²	69	135.7 Å²	135.7	71%	0.711	80%	0.797	S	S	*	*			trans	122.9	124.4	178.8	0	0	0	0	0	112.1
401	L	28.2	Very low	26.7	Very low	159 Å²	159	135.1 Å²	135.1	83%	0.832	80%	0.799	S	S	*	*			cis	-158.6	170.3	-8.3	-163.7	65	0	0	0	109.7
402	E	23.7	Very low	26.6	Very low	178 Å²	178	136.1 Å²	136.1	83%	0.832	80%	0.8	S	S	*	*			trans	85.3	162.6	160.9	-52	-160.6	155.6	0	0	119.6
403	N	25.5	Very low	26.6	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	80%	0.801	S	S	*	*			trans	-151	175	-158.8	-122.7	-26.2	0	0	0	106.2
404	P	42.5	Very low	26.5	Very low	121 Å²	121	132.7 Å²	132.7	79%	0.786	80%	0.795	S	S	*	*			cis	-127.1	179.6	-30.9	39.6	-25.4	0	0	0	111.4
405	G	22.8	Very low	26.4	Very low	77 Å²	77	130.4 Å²	130.4	79%	0.794	80%	0.795	S	S	*	*			trans	163.3	116.8	161	0	0	0	0	0	117.9
406	S	24.7	Very low	26.4	Very low	121 Å²	121	131.1 Å²	131.1	85%	0.846	80%	0.801	S	S	*	*			trans	-91.1	154.2	155.7	-47	0	0	0	0	108.4
407	P	35.7	Very low	26.3	Very low	114 Å²	114	130.4 Å²	130.4	74%	0.74	80%	0.799	S	S	*	*				-154.2	171.7	71.4	42.8	-22.9	0	0	0	118.1
408	T	25.3	Very low	26.9	Very low	141 Å²	141	129.3 Å²	129.3	87%	0.865	79%	0.794	S	S	*	*			trans	10.5	133.5	150.5	60.2	0	0	0	0	121.9
409	G	24.7	Very low	26.8	Very low	82 Å²	82	126.5 Å²	126.5	85%	0.845	79%	0.788	S	S	*	*			trans	-170.9	139.6	157.2	0	0	0	0	0	113.3
410	S	25.5	Very low	27.1	Very low	112 Å²	112	122.5 Å²	122.5	78%	0.783	78%	0.781	S	S	*	*			trans	-144.1	133.7	-173.8	60.1	0	0	0	0	113.7
411	T	23.8	Very low	27.3	Very low	129 Å²	129	123 Å²	123	79%	0.791	78%	0.779	S	S	*	*			trans	178.8	134.1	156.8	19.5	0	0	0	0	107.5
412	N	25.8	Very low	27	Very low	141 Å²	141	124 Å²	124	75%	0.754	78%	0.779	S	S	*	*				63.8	136.8	73.3	-68.9	-15.1	0	0	0	113.4
413	L	24.9	Very low	27.3	Very low	144 Å²	144	119.1 Å²	119.1	75%	0.754	77%	0.769	S	S	*	*			cis	-163.4	169	-1.4	-159.2	68	0	0	0	110.1
414	S	25.2	Very low	28.2	Very low	95 Å²	95	116.9 Å²	116.9	66%	0.664	76%	0.763	S	S	*	*			trans	72	164.8	153.7	-62.3	0	0	0	0	119.7
415	T	23.1	Very low	27.5	Very low	117 Å²	117	120.8 Å²	120.8	72%	0.718	77%	0.768	S	S	*	*			cis	-174	138.2	-34.5	-80.7	0	0	0	0	107.3
416	L	25.7	Very low	27.8	Very low	169 Å²	169	121.6 Å²	121.6	89%	0.885	77%	0.767	S	S	*	*			trans	164.6	142.9	135	-90.1	173.3	0	0	0	112.7
417	S	23.6	Very low	27.8	Very low	103 Å²	103	120.1 Å²	120.1	72%	0.72	76%	0.762	S	S	*	*			trans	-139.1	174.1	164.6	61.5	0	0	0	0	108
418	P	37.5	Very low	27.8	Very low	107 Å²	107	120.4 Å²	120.4	70%	0.695	77%	0.767	S	S	*	*				-156.7	160.2	104.5	39.5	-21.8	0	0	0	117.5
419	T	25.1	Very low	28.6	Very low	129 Å²	129	119.8 Å²	119.8	79%	0.791	77%	0.765	S	S	*	*			trans	58.1	151.2	148.6	47	0	0	0	0	120.6
420	S	30.9	Very low	28.7	Very low	111 Å²	111	126.2 Å²	126.2	78%	0.776	76%	0.764	S	S	*	*			cis	-175.3	163.6	-13	50.5	0	0	0	0	106.9
421	A	29.4	Very low	28.8	Very low	80 Å²	80	126.8 Å²	126.8	66%	0.661	76%	0.757	S	S	*	*			cis	-141.2	-149.2	-14	0	0	0	0	0	106.2
422	E	22.6	Very low	28.9	Very low	179 Å²	179	127.4 Å²	127.4	84%	0.836	76%	0.761	S	S	*	*			cis	-158.3	-178.3	-1.3	-159.8	51.3	-84.1	0	0	108.5
423	A	29.5	Very low	28.8	Very low	76 Å²	76	130.3 Å²	130.3	63%	0.628	77%	0.767	S	S	*	*			trans	-150	-180	170.9	0	0	0	0	0	111.5
424	P	43.8	Very low	28.7	Very low	106 Å²	106	128.7 Å²	128.7	69%	0.688	77%	0.767	S	S	*	*				-159.3	144.9	87.5	38.4	-17.5	0	0	0	119.4
425	K	28.9	Very low	28.7	Very low	203 Å²	203	129.2 Å²	129.2	88%	0.883	77%	0.771	S	S	*	*			trans	63.9	161.4	136.7	-64.6	169.1	-171.3	169	0	119.4
426	A	28.3	Very low	28.9	Very low	95 Å²	95	129 Å²	129	79%	0.785	77%	0.774	S	S	*	*			cis	-169.3	-177.8	-30.7	0	0	0	0	0	106.3
427	A	25.6	Very low	29.2	Very low	90 Å²	90	127.5 Å²	127.5	74%	0.744	77%	0.774	S	S	*	*			cis	-155.2	-180	5.3	0	0	0	0	0	110.4
428	S	35.2	Very low	29.2	Very low	119 Å²	119	133.9 Å²	133.9	83%	0.832	78%	0.783	S	S	*	*			trans	-156	147	162.9	-63.6	0	0	0	0	111.1
429	P	42	Very low	28.7	Very low	128 Å²	128	137 Å²	137	83%	0.831	79%	0.79	S	S	*	*			trans	-147.7	172.4	144.5	37.2	-21	0	0	0	115
430	R	27	Very low	28.6	Very low	217 Å²	217	135.7 Å²	135.7	82%	0.819	78%	0.778	S	S	*	*			cis	-177.9	125.6	-34.6	-177.7	176.5	-174.2	-130.3	1.8	109.7
431	I	27	Very low	28.4	Very low	125 Å²	125	138.2 Å²	138.2	64%	0.641	78%	0.775	S	S	*	*			trans	54.7	129.2	154.5	-63.5	171.5	0	0	0	120.4
432	T	25.3	Very low	28	Very low	142 Å²	142	140.3 Å²	140.3	87%	0.871	78%	0.78	S	S	*	*				-163	163.1	123.5	11.3	0	0	0	0	112
433	K	24.9	Very low	28.1	Very low	202 Å²	202	139.3 Å²	139.3	88%	0.878	78%	0.779	S	S	*	*			trans	-127.3	148	179.6	-56.9	173.4	179	177.2	0	109.7
434	S	23	Very low	27.9	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	79%	0.788	S	S	*	*			trans	-175.1	154.9	136.9	58.8	0	0	0	0	115.2
435	S	24.7	Very low	27	Very low	106 Å²	106	146 Å²	146	74%	0.741	80%	0.798	S	S	*	*			trans	56.6	114.4	143.6	59.8	0	0	0	0	122.1
436	S	28	Very low	26.8	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	80%	0.8	S	S	*	*			trans	-83.7	167.3	143.1	-50.1	0	0	0	0	111
437	P	31.4	Very low	26.7	Very low	137 Å²	137	152.2 Å²	152.2	89%	0.89	81%	0.807	S	S	*	*				-129.3	-173	117.4	37.8	-31.4	0	0	0	113.6
438	R	23.7	Very low	26.7	Very low	238 Å²	238	154 Å²	154	90%	0.898	81%	0.814	S	S	*	*			trans	-146.4	139.3	-159.5	169.9	-167.2	-174.3	-176	4.9	110.5
439	M	26.8	Very low	26.1	Very low	173 Å²	173	157.1 Å²	157.1	85%	0.852	81%	0.813	S	S	*	*			trans	161.3	155.6	157.2	-95.3	179.1	79.1	0	0	110
440	D	23.8	Very low	25.5	Very low	100 Å²	100	158.2 Å²	158.2	54%	0.535	81%	0.81	S	S	.	*			cis	-161.8	161.5	-27.3	-152.2	1.2	0	0	0	111.1
441	K	24.8	Very low	25.5	Very low	165 Å²	165	153.3 Å²	153.3	72%	0.717	81%	0.806	S	S	*	*			trans	19.1	140.8	164.3	-59.5	142.5	-172.4	149.6	0	122.1
442	T	22.7	Very low	25.7	Very low	123 Å²	123	155.2 Å²	155.2	76%	0.755	82%	0.817	S	S	*	*				167.3	117.6	97.4	-63.5	0	0	0	0	115.5
443	I	24.4	Very low	25.8	Very low	158 Å²	158	160 Å²	160	81%	0.81	82%	0.82	S	S	*	*			trans	9.7	129	143.3	-55.3	165	0	0	0	120
444	S	25.5	Very low	26.1	Very low	119 Å²	119	160.2 Å²	160.2	83%	0.832	82%	0.82	S	S	*	*				-166.5	148.8	120.3	55.5	0	0	0	0	114.5
445	K	24.5	Very low	26.4	Very low	204 Å²	204	165 Å²	165	89%	0.887	83%	0.828	S	S	*	*			trans	-102.8	145	176.1	-62.1	171.8	179.9	173.7	0	109.8
446	K	24.7	Very low	26.5	Very low	214 Å²	214	167.6 Å²	167.6	93%	0.93	83%	0.832	S	S	*	*			trans	-150.3	125.4	156.3	-113.8	165.3	-172.5	172.7	0	112.3
447	K	26.4	Very low	26.4	Very low	215 Å²	215	169 Å²	169	94%	0.935	84%	0.836	S	S	*	*			trans	-81.1	141.9	168.3	-67.7	178.7	176.2	179.2	0	109.2
448	S	24.3	Very low	26.1	Very low	126 Å²	126	167.9 Å²	167.9	88%	0.881	83%	0.832	S	S	*	*			trans	-129.1	173.1	154.7	70.4	0	0	0	0	109.4
449	K	23.6	Very low	26.3	Very low	186 Å²	186	165.3 Å²	165.3	81%	0.809	83%	0.83	S	S	*	*			trans	-152.7	154.1	-155.7	-144.7	-176.4	-177.7	-178.2	0	109.9
450	I	28.2	Very low	26.3	Very low	150 Å²	150	163.8 Å²	163.8	77%	0.769	82%	0.815	S	S	*	*			trans	72.5	150	165.4	-64.1	153.2	0	0	0	112.8
451	P	28	Very low	26.6	Very low	114 Å²	114	163.6 Å²	163.6	74%	0.74	82%	0.817	S	S	*	*			cis	-122.6	165	11.8	21.1	2.6	0	0	0	117.8
452	N	30.3	Very low	26.8	Very low	165 Å²	165	164.4 Å²	164.4	88%	0.882	82%	0.821	S	S	*	*			trans	-62.5	131.7	162.3	-79.5	-44.7	0	0	0	111.8
453	R	28.1	Very low	27.4	Very low	243 Å²	243	164.2 Å²	164.2	92%	0.917	82%	0.816	S	S	*	*			trans	-112.8	110.9	162.4	-124.4	179.4	83.8	160.2	3.8	109.8	K455	R453-K455 PolarHBondContact O-N 3.35Å
454	K	31.7	Very low	28	Very low	206 Å²	206	158.1 Å²	158.1	90%	0.896	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-59.4	132.2	172.5	-61.5	176.9	-179	178.7	0	108.9
455	K	28.3	Very low	28.7	Very low	211 Å²	211	157.6 Å²	157.6	92%	0.917	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-101.1	148.3	170.4	-136.9	-179.4	-177.8	-172	0	109.8	R453	R453-K455 PolarHBondContact O-N 3.35Å
456	L	26.6	Very low	29.6	Very low	160 Å²	160	152.6 Å²	152.6	84%	0.838	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-86.8	142.5	-169.6	-172.5	63.6	0	0	0	110.9	S458	L456-S458 PolarHBondContact O-N 3.25Å
457	T	25.8	Very low	30.4	Very low	141 Å²	141	147.7 Å²	147.7	87%	0.865	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-64.3	122.3	179.1	-27.9	0	0	0	0	110.3
458	S	26.9	Very low	31.2	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-103.6	149.8	176.4	29.7	0	0	0	0	111	L456	L456-S458 PolarHBondContact O-N 3.25Å
459	Q	26.9	Very low	32	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-69.1	138.8	-165.7	-172.4	170.1	-17.4	0	0	112.9
460	R	26.8	Very low	32.8	Very low	141 Å²	141	134.7 Å²	134.7	53%	0.532	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-82.6	118.3	-176.6	-156.6	-176	-167	-150	13.1	110.5	S464 E468	R460-S464 VanDerWaalsContact CG-OG 3.31Å; R460-S464 WeakPolarHBondContact CG-OG 3.48Å; R460-E468 IonicContact CZ-OE1 2.69Å; R460-E468 IonicContact CZ-OE2 2.65Å; R460-E468 IonicContact NE-OE1 3.26Å; R460-E468 PolarHBondContact NE-OE1 2.67Å; R460-E468 IonicContact NH2-OE1 2.75Å; R460-E468 PolarHBondContact NH2-OE1 3.24Å; R460-E468 IonicContact NH2-OE2 3.9Å; R460-E468 PolarHBondContact NH2-OE2 3.06Å
461	T	29.4	Very low	33.3	Very low	96 Å²	96	130.8 Å²	130.8	59%	0.589	64%	0.641	S	S	*	*			trans	-103.5	174.2	173.4	47.3	0	0	0	0	111.5	D463 S464	T461-D463 VanDerWaalsContact C-N 3.3Å; T461-D463 PolarHBondContact O-N 3.48Å; T461-S464 WeakPolarHBondContact O-CB 3.42Å; T461-S464 PolarHBondContact O-N 2.82Å
462	F	30.4	Very low	33.9	Very low	182 Å²	182	128.9 Å²	128.9	80%	0.798	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-25.7	-169.5	-158	-113.5	0	0	0	114.2	S464	F462-S464 PolarHBondContact O-N 3.03Å
463	D	35.5	Very low	34.5	Very low	120 Å²	120	125.7 Å²	125.7	64%	0.642	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-20.5	171.6	-55.2	-61.4	0	0	0	113.1	T461 E465 E466 E467	T461-D463 VanDerWaalsContact C-N 3.3Å; T461-D463 PolarHBondContact O-N 3.48Å; D463-E465 PolarHBondContact O-N 3.21Å; D463-E465 VanDerWaalsContact O-N 3.07Å; D463-E466 PolarHBondContact O-N 2.67Å; D463-E467 PolarHBondContact O-N 3.1Å
464	S	37.2	Very low	35	Very low	30 Å²	30	117.4 Å²	117.4	21%	0.21	57%	0.572	C	S	.	*	H	α-helix	trans	-61.4	-20.8	-174.9	-166.4	0	0	0	0	113.2	R460 T461 F462 E468	R460-S464 VanDerWaalsContact CG-OG 3.31Å; R460-S464 WeakPolarHBondContact CG-OG 3.48Å; T461-S464 WeakPolarHBondContact O-CB 3.42Å; T461-S464 PolarHBondContact O-N 2.82Å; F462-S464 PolarHBondContact O-N 3.03Å; S464-E468 WeakPolarHBondContact O-CA 3.21Å; S464-E468 WeakPolarHBondContact O-CB 3.39Å; S464-E468 WeakPolarHBondContact O-CG 3.47Å; S464-E468 PolarHBondContact O-N 2.84Å; S464-E468 PolarHBondContact OG-OE1 2.98Å
465	E	39.6	Very low	35.1	Very low	108 Å²	108	113.6 Å²	113.6	51%	0.505	56%	0.557	S	S	.	*	H	α-helix	trans	-84.5	-28	177.5	-62.4	-171.9	169.2	0	0	112.6	D463 L469	D463-E465 PolarHBondContact O-N 3.21Å; D463-E465 VanDerWaalsContact O-N 3.07Å; E465-L469 WeakPolarHBondContact O-CB 3.34Å; E465-L469 PolarHBondContact O-N 2.82Å; E465-L469 VanDerWaalsContact O-N 3.07Å
466	E	42.4	Very low	35.5	Very low	98 Å²	98	109.8 Å²	109.8	46%	0.458	54%	0.54	S	S	.	.	H	α-helix	trans	-75.9	-45.1	169.9	-175.7	170.6	165	0	0	110.5	D463 L469 Y470 R709	D463-E466 PolarHBondContact O-N 2.67Å; E466-L469 PolarHBondContact O-N 3.12Å; E466-Y470 WeakPolarHBondContact O-CB 3.42Å; E466-Y470 PolarHBondContact O-N 3.08Å; E466-R709 WeakPolarHBondContact OE1-CD 3.49Å; E466-R709 VanDerWaalsContact OE1-CG 3.24Å; E466-R709 WeakPolarHBondContact OE1-CG 3.24Å
467	E	42.8	Very low	36.1	Very low	111 Å²	111	104 Å²	104	52%	0.519	52%	0.515	S	S	.	.	H	α-helix	trans	-59.4	-47.8	171.4	-175.3	92	-122.6	0	0	110.2	D463 L469 Y470 Q471	D463-E467 PolarHBondContact O-N 3.1Å; E467-L469 VanDerWaalsContact C-N 3.35Å; E467-L469 PolarHBondContact O-N 2.98Å; E467-Y470 PolarHBondContact O-N 3.23Å; E467-Q471 HydrophobicContact CG-CG 3.99Å; E467-Q471 VanDerWaalsContact O-CB 3.23Å; E467-Q471 WeakPolarHBondContact O-CB 3.42Å; E467-Q471 WeakPolarHBondContact O-CG 3.43Å; E467-Q471 PolarHBondContact O-N 1.94Å; E467-Q471 PolarHBondContact OE1-NE2 2.56Å
468	E	43.4	Very low	36.3	Very low	84 Å²	84	102.5 Å²	102.5	39%	0.393	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-35.8	176.6	-80.3	170.4	-131.1	0	0	112.9	R460 S464 N472	R460-E468 IonicContact CZ-OE1 2.69Å; R460-E468 IonicContact CZ-OE2 2.65Å; R460-E468 IonicContact NE-OE1 3.26Å; R460-E468 PolarHBondContact NE-OE1 2.67Å; R460-E468 IonicContact NH2-OE1 2.75Å; R460-E468 PolarHBondContact NH2-OE1 3.24Å; R460-E468 IonicContact NH2-OE2 3.9Å; R460-E468 PolarHBondContact NH2-OE2 3.06Å; S464-E468 WeakPolarHBondContact O-CA 3.21Å; S464-E468 WeakPolarHBondContact O-CB 3.39Å; S464-E468 WeakPolarHBondContact O-CG 3.47Å; S464-E468 PolarHBondContact O-N 2.84Å; S464-E468 PolarHBondContact OG-OE1 2.98Å; E468-N472 WeakPolarHBondContact O-CB 3.36Å; E468-N472 PolarHBondContact O-N 2.7Å
469	L	40.2	Very low	36.5	Very low	93 Å²	93	105 Å²	105	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-63.8	-50.8	172.5	-100.8	161.7	0	0	0	111.2	E465 E466 E467 Q471 N472 Y473	E465-L469 WeakPolarHBondContact O-CB 3.34Å; E465-L469 PolarHBondContact O-N 2.82Å; E465-L469 VanDerWaalsContact O-N 3.07Å; E466-L469 PolarHBondContact O-N 3.12Å; E467-L469 VanDerWaalsContact C-N 3.35Å; E467-L469 PolarHBondContact O-N 2.98Å; L469-Q471 PolarHBondContact O-N 3.1Å; L469-N472 PolarHBondContact O-N 3.06Å; L469-Y473 HydrophobicContact CD2-CD2 4.46Å; L469-Y473 HydrophobicContact CD2-CE2 4.03Å; L469-Y473 VanDerWaalsContact O-CD2 3.31Å; L469-Y473 WeakPolarHBondContact O-CD2 3.46Å; L469-Y473 PolarHBondContact O-N 3.41Å
470	Y	40.9	Very low	37.1	Very low	77 Å²	77	99.5 Å²	99.5	30%	0.302	48%	0.477	S	S	.	.	H	α-helix	trans	-64.7	-40.6	-178.1	-153.3	-96.6	0	0	0	111.8	E466 E467 Y473 K474 P677 L678	E466-Y470 WeakPolarHBondContact O-CB 3.42Å; E466-Y470 PolarHBondContact O-N 3.08Å; E467-Y470 PolarHBondContact O-N 3.23Å; Y470-Y473 PolarHBondContact O-N 3.22Å; Y470-K474 VanDerWaalsContact O-CB 3.26Å; Y470-K474 WeakPolarHBondContact O-CB 3.42Å; Y470-K474 PolarHBondContact O-N 3.21Å; Y470-P677 WeakPolarHBondContact OH-CB 3.12Å; Y470-L678 HydrophobicContact CE1-CD2 4.05Å
471	Q	39	Very low	37.4	Very low	69 Å²	69	99.2 Å²	99.2	32%	0.322	49%	0.486	S	S	.	.	H	α-helix	trans	-68.5	-34.6	173.6	-62.4	-72.6	-5.5	0	0	111.6	E467 L469 K474 E475	E467-Q471 HydrophobicContact CG-CG 3.99Å; E467-Q471 VanDerWaalsContact O-CB 3.23Å; E467-Q471 WeakPolarHBondContact O-CB 3.42Å; E467-Q471 WeakPolarHBondContact O-CG 3.43Å; E467-Q471 PolarHBondContact O-N 1.94Å; E467-Q471 PolarHBondContact OE1-NE2 2.56Å; L469-Q471 PolarHBondContact O-N 3.1Å; Q471-K474 CarbonylContact O-C 3.6Å; Q471-K474 PolarHBondContact O-N 3.05Å; Q471-E475 WeakPolarHBondContact O-CB 3.37Å; Q471-E475 WeakPolarHBondContact O-CG 3.34Å; Q471-E475 PolarHBondContact O-N 3.37Å
472	N	40.8	Very low	37.5	Very low	73 Å²	73	100.1 Å²	100.1	39%	0.39	50%	0.496	S	S	.	.	H	α-helix	trans	-69	-36.1	175.9	-173.2	-29.7	0	0	0	111.7	E468 L469 K476	E468-N472 WeakPolarHBondContact O-CB 3.36Å; E468-N472 PolarHBondContact O-N 2.7Å; L469-N472 PolarHBondContact O-N 3.06Å; N472-K476 WeakPolarHBondContact O-CB 3.35Å; N472-K476 VanDerWaalsContact O-CD 3.31Å; N472-K476 WeakPolarHBondContact O-CD 3.37Å; N472-K476 VanDerWaalsContact O-CG 3.22Å; N472-K476 WeakPolarHBondContact O-CG 3.25Å; N472-K476 PolarHBondContact O-N 3.41Å; N472-K476 WeakPolarHBondContact OD1-CE 3.4Å; N472-K476 PolarHBondContact OD1-NZ 2.81Å
473	Y	42.2	Very low	37.5	Very low	98 Å²	98	99.3 Å²	99.3	38%	0.384	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-42.4	166	-82.6	-80.6	0	0	0	112	L469 Y470 K476 A477	L469-Y473 HydrophobicContact CD2-CD2 4.46Å; L469-Y473 HydrophobicContact CD2-CE2 4.03Å; L469-Y473 VanDerWaalsContact O-CD2 3.31Å; L469-Y473 WeakPolarHBondContact O-CD2 3.46Å; L469-Y473 PolarHBondContact O-N 3.41Å; Y470-Y473 PolarHBondContact O-N 3.22Å; Y473-K476 PolarHBondContact O-N 3.34Å; Y473-A477 WeakPolarHBondContact O-CB 3.39Å; Y473-A477 PolarHBondContact O-N 3.39Å
474	K	37.7	Very low	38	Very low	70 Å²	70	102.2 Å²	102.2	30%	0.304	51%	0.51	S	S	.	.	H	α-helix	trans	-66.7	-42.4	-179.6	-168	175.7	-178.1	173.2	0	113.5	Y470 Q471 A477 L478	Y470-K474 VanDerWaalsContact O-CB 3.26Å; Y470-K474 WeakPolarHBondContact O-CB 3.42Å; Y470-K474 PolarHBondContact O-N 3.21Å; Q471-K474 CarbonylContact O-C 3.6Å; Q471-K474 PolarHBondContact O-N 3.05Å; K474-A477 WeakPolarHBondContact O-CB 3.27Å; K474-A477 PolarHBondContact O-N 2.84Å; K474-L478 HydrophobicContact CG-CD1 3.85Å; K474-L478 HydrophobicContact CG-CG 4.41Å; K474-L478 WeakPolarHBondContact O-CB 3.46Å; K474-L478 VanDerWaalsContact O-CG 3.3Å; K474-L478 WeakPolarHBondContact O-CG 3.44Å; K474-L478 PolarHBondContact O-N 3.28Å
475	E	33.4	Very low	37.9	Very low	126 Å²	126	108.3 Å²	108.3	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-67.1	-36	175.9	-75.2	-174	157.5	0	0	112	Q471 A477 H479	Q471-E475 WeakPolarHBondContact O-CB 3.37Å; Q471-E475 WeakPolarHBondContact O-CG 3.34Å; Q471-E475 PolarHBondContact O-N 3.37Å; E475-A477 VanDerWaalsContact C-N 3.33Å; E475-H479 PolarHBondContact O-N 2.98Å; E475-H479 PolarHBondContact O-ND1 3.22Å; E475-H479 VanDerWaalsContact O-ND1 3.16Å
476	K	37.8	Very low	37.9	Very low	130 Å²	130	107.3 Å²	107.3	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-70	-28.3	172	-75.4	170.7	180	156	0	113.1	N472 Y473 N480	N472-K476 WeakPolarHBondContact O-CB 3.35Å; N472-K476 VanDerWaalsContact O-CD 3.31Å; N472-K476 WeakPolarHBondContact O-CD 3.37Å; N472-K476 VanDerWaalsContact O-CG 3.22Å; N472-K476 WeakPolarHBondContact O-CG 3.25Å; N472-K476 PolarHBondContact O-N 3.41Å; N472-K476 WeakPolarHBondContact OD1-CE 3.4Å; N472-K476 PolarHBondContact OD1-NZ 2.81Å; Y473-K476 PolarHBondContact O-N 3.34Å; K476-N480 PolarHBondContact O-ND2 3.35Å
477	A	38.8	Very low	37.3	Very low	38 Å²	38	109.8 Å²	109.8	31%	0.314	57%	0.567	S	S	.	*	H	α-helix	trans	-76.4	-46.4	172.1	0	0	0	0	0	111.6	Y473 K474 E475 H479 N480 L678	Y473-A477 WeakPolarHBondContact O-CB 3.39Å; Y473-A477 PolarHBondContact O-N 3.39Å; K474-A477 WeakPolarHBondContact O-CB 3.27Å; K474-A477 PolarHBondContact O-N 2.84Å; E475-A477 VanDerWaalsContact C-N 3.33Å; A477-H479 PolarHBondContact O-N 3.03Å; A477-N480 PolarHBondContact O-ND2 3.17Å; A477-L678 HydrophobicContact CB-CD1 4.5Å
478	L	30	Very low	37.2	Very low	110 Å²	110	109.5 Å²	109.5	58%	0.576	58%	0.577	S	S	*	*	H	α-helix	trans	-72.7	-18.8	-174.2	-73.6	171.3	0	0	0	114.9	K474 N480	K474-L478 HydrophobicContact CG-CD1 3.85Å; K474-L478 HydrophobicContact CG-CG 4.41Å; K474-L478 WeakPolarHBondContact O-CB 3.46Å; K474-L478 VanDerWaalsContact O-CG 3.3Å; K474-L478 WeakPolarHBondContact O-CG 3.44Å; K474-L478 PolarHBondContact O-N 3.28Å; L478-N480 PolarHBondContact O-N 2.99Å
479	H	32.1	Very low	36.6	Very low	167 Å²	167	117.6 Å²	117.6	77%	0.773	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	24.3	175	-95.5	86.8	0	0	0	114.8	E475 A477	E475-H479 PolarHBondContact O-N 2.98Å; E475-H479 PolarHBondContact O-ND1 3.22Å; E475-H479 VanDerWaalsContact O-ND1 3.16Å; A477-H479 PolarHBondContact O-N 3.03Å
480	N	38.7	Very low	36.3	Very low	69 Å²	69	116.3 Å²	116.3	37%	0.369	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.4	-20.7	-177	-59.7	-63.5	0	0	0	114.3	R377 K476 A477 L478	R377-N480 PolarHBondContact NH1-OD1 3.04Å; R377-N480 PolarHBondContact NH2-OD1 2.88Å; K476-N480 PolarHBondContact O-ND2 3.35Å; A477-N480 PolarHBondContact O-ND2 3.17Å; L478-N480 PolarHBondContact O-N 2.99Å
481	D	33.8	Very low	36.3	Very low	135 Å²	135	118.9 Å²	118.9	72%	0.722	64%	0.639	S	S	*	*			trans	-115.1	67.1	-168.4	-57.2	-48.5	0	0	0	111.6
482	S	31.3	Very low	35.8	Very low	114 Å²	114	125.1 Å²	125.1	80%	0.797	67%	0.665	S	S	*	*			trans	-155.7	87.2	169.6	-73.2	0	0	0	0	111.6
483	D	30.9	Very low	35.9	Very low	166 Å²	166	127.8 Å²	127.8	89%	0.888	69%	0.687	S	S	*	*			trans	-155.3	131.6	134.8	-125.1	-4	0	0	0	108.7
484	E	44.4	Very low	35.3	Very low	180 Å²	180	131 Å²	131	84%	0.841	71%	0.711	S	S	*	*			trans	-124.4	160.8	168.2	-78.3	-152.1	134.4	0	0	109.6
485	D	35.8	Very low	35.5	Very low	159 Å²	159	137 Å²	137	85%	0.85	74%	0.74	S	S	*	*			trans	76.8	119.3	171.1	-70.3	-30.1	0	0	0	121.1
486	A	38.6	Very low	35.2	Very low	87 Å²	87	133.8 Å²	133.8	72%	0.719	74%	0.741	S	S	*	*			trans	104.6	106.4	132.2	0	0	0	0	0	121.6
487	D	30.6	Very low	35.1	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	76%	0.756	S	S	*	*				72.7	94.3	127.3	-64.7	-10.4	0	0	0	123.1
488	S	40.8	Very low	34.6	Very low	106 Å²	106	140 Å²	140	74%	0.741	78%	0.777	S	S	*	*				50.5	111.6	121.2	71	0	0	0	0	120.8
489	R	31.6	Very low	34.6	Very low	254 Å²	254	140.3 Å²	140.3	96%	0.958	78%	0.784	S	S	*	*			trans	-154	151	135	-137.5	168.6	-86.2	-151.3	-3.5	111.8
490	G	32.7	Very low	34.2	Very low	66 Å²	66	139.7 Å²	139.7	68%	0.68	78%	0.781	S	S	*	*			trans	-76.4	164.3	-175.4	0	0	0	0	0	114.7
491	P	41.3	Very low	33.7	Very low	130 Å²	130	141.5 Å²	141.5	84%	0.844	78%	0.783	S	S	*	*			trans	-87.3	156	-166.9	34.9	-36.9	0	0	0	114.8
492	K	29.2	Very low	33.6	Very low	200 Å²	200	143.7 Å²	143.7	87%	0.87	78%	0.782	S	S	*	*			trans	-132.9	148.8	146.4	-78.5	-167.1	174.5	-174.2	0	108.5
493	P	41.2	Very low	33.9	Very low	130 Å²	130	141.2 Å²	141.2	84%	0.844	76%	0.762	S	S	*	*			trans	-77.9	147.2	-177.5	32.6	-34.9	0	0	0	111.2
494	D	31.4	Very low	34.5	Very low	165 Å²	165	136.5 Å²	136.5	88%	0.882	74%	0.737	S	S	*	*			trans	-141.5	143.9	154.9	-155.8	-13.1	0	0	0	108.6	G496	D494-G496 PolarHBondContact O-N 3.36Å
495	Q	41.4	Very low	34.9	Very low	196 Å²	196	136.6 Å²	136.6	92%	0.916	73%	0.729	S	S	*	*			trans	-106.4	57.7	-152.5	-158.8	160.9	3.3	0	0	112.9
496	G	27.7	Very low	36.2	Very low	59 Å²	59	132.2 Å²	132.2	61%	0.608	71%	0.708	S	S	*	*			trans	-108	130.3	173.8	0	0	0	0	0	112.6	D494 V498	D494-G496 PolarHBondContact O-N 3.36Å; G496-V498 VanDerWaalsContact C-N 3.31Å; G496-V498 PolarHBondContact O-N 3.46Å
497	I	34.4	Very low	38.2	Very low	173 Å²	173	129.5 Å²	129.5	89%	0.887	68%	0.684	S	S	*	*			trans	-75.4	82.2	179.7	-55.6	175.3	0	0	0	110
498	V	27.6	Very low	40.9	Very low	124 Å²	124	122.5 Å²	122.5	75%	0.752	65%	0.646	S	S	*	*			trans	-109.7	106.7	167.8	-179.7	0	0	0	0	107.8	G496 Q500	G496-V498 VanDerWaalsContact C-N 3.31Å; G496-V498 PolarHBondContact O-N 3.46Å; V498-Q500 PolarHBondContact O-N 2.88Å
499	V	30.3	Very low	42.8	Very low	118 Å²	118	119.4 Å²	119.4	72%	0.715	63%	0.625	S	S	*	*			trans	-64.5	98.4	-179.5	179.6	0	0	0	0	109.5	Y501	V499-Y501 PolarHBondContact O-N 3.33Å
500	Q	23.8	Very low	45.2	Very low	153 Å²	153	111.2 Å²	111.2	72%	0.715	60%	0.597	S	S	*	*			trans	-65.1	102.8	171.8	-73.3	-170.2	-4.8	0	0	109.1	V498 R502	V498-Q500 PolarHBondContact O-N 2.88Å; Q500-R502 PolarHBondContact O-N 2.82Å
501	Y	28.1	Very low	47.4	Very low	108 Å²	108	109.8 Å²	109.8	42%	0.424	57%	0.574	S	S	.	*			trans	-63.9	94.5	174.5	-122.9	-78.3	0	0	0	109.7	R378 T382 V499 P503	R378-Y501 PolarHBondContact NE-OH 3.4Å; T382-Y501 HydrophobicContact CG2-CD1 4.41Å; T382-Y501 HydrophobicContact CG2-CE1 3.94Å; V499-Y501 PolarHBondContact O-N 3.33Å; Y501-P503 WeakPolarHBondContact O-CD 3.38Å
502	R	32	Very low	49.1	Very low	181 Å²	181	107.3 Å²	107.3	68%	0.683	56%	0.56	S	S	*	*			trans	-80.6	126.1	166.3	-69.9	-172.1	176.4	-165.9	0.2	107.9	Q500	Q500-R502 PolarHBondContact O-N 2.82Å
503	P	37.1	Very low	51.4	Low	61 Å²	61	100.9 Å²	100.9	40%	0.396	54%	0.537	S	S	.	.			trans	-57.9	166.6	162.9	-24	33.4	0	0	0	111.8	V381 Y501 R505	V381-P503 HydrophobicContact CG1-CB 3.99Å; Y501-P503 WeakPolarHBondContact O-CD 3.38Å; P503-R505 HydrophobicContact CB-CG 3.98Å; P503-R505 HydrophobicContact CG-CG 4.37Å; P503-R505 PolarHBondContact O-N 2.75Å
504	I	44.9	Very low	53.3	Low	68 Å²	68	94.7 Å²	94.7	35%	0.349	50%	0.497	S	S	.	.			trans	-64.9	90.4	160.6	-64	175.6	0	0	0	105.7	V381 T506	V381-I504 HydrophobicContact CG1-CG1 4.41Å; I504-T506 PolarHBondContact O-N 3.18Å
505	R	51.6	Low	55.6	Low	182 Å²	182	92.8 Å²	92.8	69%	0.687	48%	0.481	S	S	*	.			trans	-98.2	62.5	-175.5	-71.1	-171.9	-174.2	-104.5	3.2	109.7	P503 Q510	P503-R505 HydrophobicContact CB-CG 3.98Å; P503-R505 HydrophobicContact CG-CG 4.37Å; P503-R505 PolarHBondContact O-N 2.75Å; R505-Q510 PolarHBondContact O-OE1 3.2Å
506	T	64	Low	57.3	Low	67 Å²	67	91.9 Å²	91.9	41%	0.411	47%	0.474	S	S	.	.			trans	-121.3	84.6	159.1	20.2	0	0	0	0	106.5	I504 F535	I504-T506 PolarHBondContact O-N 3.18Å; T506-F535 VanDerWaalsContact O-CE1 3.31Å; T506-F535 WeakPolarHBondContact O-CE1 3.39Å
507	S	80.6	Confident	59.8	Low	29 Å²	29	93.2 Å²	93.2	20%	0.203	47%	0.467	C	S	.	.			trans	-57	159.3	161.8	71.3	0	0	0	0	109.6	S509 Q510 L511 E532	S507-S509 PolarHBondContact O-N 3.22Å; S507-S509 PolarHBondContact OG-OG 3.42Å; S507-Q510 WeakPolarHBondContact O-CA 3.34Å; S507-Q510 WeakPolarHBondContact O-CB 3.48Å; S507-Q510 PolarHBondContact O-N 2.98Å; S507-Q510 WeakPolarHBondContact OG-CB 3.18Å; S507-Q510 WeakPolarHBondContact OG-CG 3.47Å; S507-Q510 PolarHBondContact OG-N 3.04Å; S507-Q510 PolarHBondContact OG-OE1 3.35Å; S507-L511 PolarHBondContact O-N 3.32Å; S507-E532 WeakPolarHBondContact CA-OE2 3.39Å; S507-E532 WeakPolarHBondContact CB-OE1 3.47Å; S507-E532 VanDerWaalsContact CB-OE2 3.23Å; S507-E532 WeakPolarHBondContact CB-OE2 3.46Å
508	W	86.8	Confident	61.9	Low	2 Å²	2	86 Å²	86	1%	0.008	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-53.7	-44.8	175.3	178.4	90.2	0	0	0	110.9	Q510 L511 V514 L519 L523 Q531 E532 F535 I599 V600	W508-Q510 PolarHBondContact O-N 3.19Å; W508-L511 WeakPolarHBondContact O-CB 3.27Å; W508-L511 WeakPolarHBondContact O-CG 3.26Å; W508-L511 PolarHBondContact O-N 3.3Å; W508-V514 HydrophobicContact CD2-CG1 4.39Å; W508-V514 HydrophobicContact CD2-CG2 4.16Å; W508-V514 HydrophobicContact CE3-CG1 3.99Å; W508-V514 HydrophobicContact CH2-CG1 3.73Å; W508-V514 HydrophobicContact CH2-CG2 4.21Å; W508-V514 HydrophobicContact CZ2-CG1 4.17Å; W508-V514 HydrophobicContact CZ2-CG2 3.79Å; W508-V514 HydrophobicContact CZ3-CG1 3.64Å; W508-V514 WeakPolarHBondContact O-CG2 3.47Å; W508-L519 HydrophobicContact CH2-CB 4.26Å; W508-L523 HydrophobicContact CH2-CD1 3.53Å; W508-L523 HydrophobicContact CZ2-CD1 4.39Å; W508-L523 HydrophobicContact CZ3-CD1 3.97Å; W508-Q531 HydrophobicContact CD2-CB 3.65Å; W508-Q531 HydrophobicContact CD2-CG 4.39Å; W508-Q531 HydrophobicContact CE3-CB 3.87Å; W508-Q531 HydrophobicContact CG-CB 4.01Å; W508-Q531 HydrophobicContact CH2-CG 4.39Å; W508-Q531 HydrophobicContact CZ2-CB 4.37Å; W508-Q531 HydrophobicContact CZ2-CG 4.22Å; W508-Q531 HydrophobicContact CZ3-CB 4.33Å; W508-E532 VanDerWaalsContact N-CD 3.34Å; W508-E532 PolarHBondContact N-OE1 2.9Å; W508-E532 PolarHBondContact N-OE2 3.02Å; W508-F535 HydrophobicContact CB-CB 3.87Å; W508-F535 HydrophobicContact CB-CD1 4.35Å; W508-F535 HydrophobicContact CB-CG 4.04Å; W508-F535 HydrophobicContact CG-CB 4.38Å; W508-I599 HydrophobicContact CZ2-CG2 4.31Å; W508-I599 PolarHBondContact NE1-O 3.05Å; W508-V600 HydrophobicContact CH2-CG2 4.19Å; W508-V600 HydrophobicContact CZ2-CG2 3.82Å
509	S	80.8	Confident	64.4	Low	41 Å²	41	81.8 Å²	81.8	29%	0.287	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-63.1	-15.9	172.6	51.9	0	0	0	0	115	S507 E532	S507-S509 PolarHBondContact O-N 3.22Å; S507-S509 PolarHBondContact OG-OG 3.42Å; S509-E532 VanDerWaalsContact CB-OE1 3.23Å; S509-E532 WeakPolarHBondContact CB-OE1 3.43Å; S509-E532 PolarHBondContact N-OE1 2.83Å; S509-E532 PolarHBondContact OG-OE1 3.18Å
510	Q	82.2	Confident	66.6	Low	82 Å²	82	77.1 Å²	77.1	38%	0.383	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-93.5	-12.5	177	-76.5	160.6	2.5	0	0	113.9	R505 S507 W508 K515	R505-Q510 PolarHBondContact O-OE1 3.2Å; S507-Q510 WeakPolarHBondContact O-CA 3.34Å; S507-Q510 WeakPolarHBondContact O-CB 3.48Å; S507-Q510 PolarHBondContact O-N 2.98Å; S507-Q510 WeakPolarHBondContact OG-CB 3.18Å; S507-Q510 WeakPolarHBondContact OG-CG 3.47Å; S507-Q510 PolarHBondContact OG-N 3.04Å; S507-Q510 PolarHBondContact OG-OE1 3.35Å; W508-Q510 PolarHBondContact O-N 3.19Å; Q510-K515 WeakPolarHBondContact O-CE 3.36Å; Q510-K515 PolarHBondContact O-NZ 3.34Å
511	L	80	Confident	69.2	Low	36 Å²	36	77.7 Å²	77.7	19%	0.188	39%	0.385	C	S	.	.	S	Bend	trans	-57.5	140.5	177.7	-63	173.7	0	0	0	111.5	S507 W508 V513 V514 K515 F535	S507-L511 PolarHBondContact O-N 3.32Å; W508-L511 WeakPolarHBondContact O-CB 3.27Å; W508-L511 WeakPolarHBondContact O-CG 3.26Å; W508-L511 PolarHBondContact O-N 3.3Å; L511-V513 VanDerWaalsContact C-N 3.3Å; L511-V513 PolarHBondContact O-N 2.88Å; L511-V514 HydrophobicContact CB-CB 4.15Å; L511-V514 HydrophobicContact CB-CG2 3.96Å; L511-V514 HydrophobicContact CD1-CG2 4.22Å; L511-V514 PolarHBondContact O-N 3.48Å; L511-K515 PolarHBondContact O-N 3.1Å; L511-F535 HydrophobicContact CD1-CD2 4.3Å; L511-F535 HydrophobicContact CD1-CE2 3.86Å; L511-F535 HydrophobicContact CD1-CZ 4.2Å; L511-F535 HydrophobicContact CD2-CE2 4.41Å; L511-F535 HydrophobicContact CD2-CZ 4Å
512	S	75.2	Confident	71.9	Confident	78 Å²	78	79.3 Å²	79.3	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-38.8	-175.8	56.7	0	0	0	0	112.6	K516	S512-K516 WeakPolarHBondContact O-CB 3.27Å; S512-K516 VanDerWaalsContact O-CG 3.27Å; S512-K516 WeakPolarHBondContact O-CG 3.48Å; S512-K516 PolarHBondContact O-N 2.85Å
513	V	78.2	Confident	74.6	Confident	65 Å²	65	72.5 Å²	72.5	39%	0.394	37%	0.373	S	S	.	.	H	α-helix	trans	-73.8	-39.2	179.8	-160.6	0	0	0	0	111.8	L511 K515 K516 N517 I599	L511-V513 VanDerWaalsContact C-N 3.3Å; L511-V513 PolarHBondContact O-N 2.88Å; V513-K515 VanDerWaalsContact C-N 3.33Å; V513-K515 PolarHBondContact O-N 3.07Å; V513-K516 PolarHBondContact O-N 2.91Å; V513-N517 WeakPolarHBondContact O-CB 3.35Å; V513-N517 PolarHBondContact O-N 3.2Å; V513-N517 VanDerWaalsContact O-N 3.08Å; V513-I599 HydrophobicContact CB-CD1 4.01Å; V513-I599 HydrophobicContact CG1-CD1 3.44Å; V513-I599 VanDerWaalsContact CG1-CD1 3.44Å
514	V	80.9	Confident	77	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-61.8	-41.6	175	173.4	0	0	0	0	111.2	W508 L511 G518 L519 A520 I599	W508-V514 HydrophobicContact CD2-CG1 4.39Å; W508-V514 HydrophobicContact CD2-CG2 4.16Å; W508-V514 HydrophobicContact CE3-CG1 3.99Å; W508-V514 HydrophobicContact CH2-CG1 3.73Å; W508-V514 HydrophobicContact CH2-CG2 4.21Å; W508-V514 HydrophobicContact CZ2-CG1 4.17Å; W508-V514 HydrophobicContact CZ2-CG2 3.79Å; W508-V514 HydrophobicContact CZ3-CG1 3.64Å; W508-V514 WeakPolarHBondContact O-CG2 3.47Å; L511-V514 HydrophobicContact CB-CB 4.15Å; L511-V514 HydrophobicContact CB-CG2 3.96Å; L511-V514 HydrophobicContact CD1-CG2 4.22Å; L511-V514 PolarHBondContact O-N 3.48Å; V514-G518 PolarHBondContact O-N 3.49Å; V514-L519 HydrophobicContact CG1-CB 4.26Å; V514-L519 PolarHBondContact O-N 3.38Å; V514-L519 VanDerWaalsContact O-N 3.12Å; V514-A520 HydrophobicContact CG1-CB 4.02Å; V514-I599 HydrophobicContact CG2-CG2 3.41Å; V514-I599 VanDerWaalsContact CG2-CG2 3.41Å
515	K	80.3	Confident	79.1	Confident	125 Å²	125	74 Å²	74	54%	0.543	38%	0.38	S	S	.	.	H	α-helix	trans	-66.4	-52.8	174.1	-76.3	170.4	172.2	152.9	0	112.7	Q510 L511 V513 N517 G518	Q510-K515 WeakPolarHBondContact O-CE 3.36Å; Q510-K515 PolarHBondContact O-NZ 3.34Å; L511-K515 PolarHBondContact O-N 3.1Å; V513-K515 VanDerWaalsContact C-N 3.33Å; V513-K515 PolarHBondContact O-N 3.07Å; K515-N517 PolarHBondContact O-N 3.21Å; K515-G518 PolarHBondContact O-N 2.94Å; K515-G518 VanDerWaalsContact O-N 3.1Å
516	K	77.6	Confident	80.8	Confident	177 Å²	177	71.3 Å²	71.3	77%	0.77	38%	0.376	S	S	*	.	H	α-helix	trans	-56.7	-35.5	-178.3	-80.7	176.8	175.3	-173.6	0	112.5	S512 V513	S512-K516 WeakPolarHBondContact O-CB 3.27Å; S512-K516 VanDerWaalsContact O-CG 3.27Å; S512-K516 WeakPolarHBondContact O-CG 3.48Å; S512-K516 PolarHBondContact O-N 2.85Å; V513-K516 PolarHBondContact O-N 2.91Å
517	N	79.4	Confident	82.1	Confident	88 Å²	88	69.7 Å²	69.7	47%	0.471	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	1.7	-177.2	-63.1	-1.9	0	0	0	113.7	V513 K515 L519	V513-N517 WeakPolarHBondContact O-CB 3.35Å; V513-N517 PolarHBondContact O-N 3.2Å; V513-N517 VanDerWaalsContact O-N 3.08Å; K515-N517 PolarHBondContact O-N 3.21Å; N517-L519 HydrophobicContact CB-CD1 3.95Å; N517-L519 HydrophobicContact CB-CG 3.78Å; N517-L519 PolarHBondContact O-N 2.92Å; N517-L519 VanDerWaalsContact O-N 3.1Å
518	G	79.4	Confident	82.6	Confident	22 Å²	22	71.7 Å²	71.7	23%	0.227	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	11.8	-177.7	0	0	0	0	0	115	V514 K515 A520 E521 Q522	V514-G518 PolarHBondContact O-N 3.49Å; K515-G518 PolarHBondContact O-N 2.94Å; K515-G518 VanDerWaalsContact O-N 3.1Å; G518-A520 VanDerWaalsContact C-N 3.26Å; G518-A520 PolarHBondContact O-N 3.01Å; G518-E521 PolarHBondContact O-N 3.26Å; G518-Q522 PolarHBondContact O-N 3.04Å
519	L	80	Confident	82.8	Confident	34 Å²	34	76.9 Å²	76.9	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-62	-33.4	-170.3	-70.8	170.1	0	0	0	112.5	W508 V514 N517 Q522 L523 I599 V600	W508-L519 HydrophobicContact CH2-CB 4.26Å; V514-L519 HydrophobicContact CG1-CB 4.26Å; V514-L519 PolarHBondContact O-N 3.38Å; V514-L519 VanDerWaalsContact O-N 3.12Å; N517-L519 HydrophobicContact CB-CD1 3.95Å; N517-L519 HydrophobicContact CB-CG 3.78Å; N517-L519 PolarHBondContact O-N 2.92Å; N517-L519 VanDerWaalsContact O-N 3.1Å; L519-Q522 PolarHBondContact O-N 2.96Å; L519-L523 WeakPolarHBondContact O-CG 3.44Å; L519-L523 PolarHBondContact O-N 2.65Å; L519-I599 HydrophobicContact CD1-CG2 4.38Å; L519-V600 HydrophobicContact CD1-CG2 4.39Å; L519-V600 HydrophobicContact CD2-CG2 4.42Å
520	A	75.9	Confident	83.4	Confident	20 Å²	20	75 Å²	75	17%	0.165	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-48.2	172.8	0	0	0	0	0	111.1	V514 G518 Q522 L523 R528	V514-A520 HydrophobicContact CG1-CB 4.02Å; G518-A520 VanDerWaalsContact C-N 3.26Å; G518-A520 PolarHBondContact O-N 3.01Å; A520-Q522 VanDerWaalsContact C-N 3.33Å; A520-Q522 PolarHBondContact O-N 2.69Å; A520-L523 PolarHBondContact O-N 3.48Å; A520-R528 PolarHBondContact O-NE 3.09Å; A520-R528 PolarHBondContact O-NH2 3.42Å
521	E	78.8	Confident	84	Confident	165 Å²	165	71.2 Å²	71.2	77%	0.771	36%	0.358	S	S	*	.	H	α-helix	trans	-67.1	-34.1	-175.5	-62.7	-178.4	179.8	0	0	112.4	G518 R528	G518-E521 PolarHBondContact O-N 3.26Å; E521-R528 PolarHBondContact O-NH2 2.94Å
522	Q	84.8	Confident	84.6	Confident	143 Å²	143	71.8 Å²	71.8	67%	0.668	36%	0.36	S	S	*	.	H	α-helix	trans	-70.8	-28.1	179.2	-65.2	170.5	13	0	0	114.3	G518 L519 A520	G518-Q522 PolarHBondContact O-N 3.04Å; L519-Q522 PolarHBondContact O-N 2.96Å; A520-Q522 VanDerWaalsContact C-N 3.33Å; A520-Q522 PolarHBondContact O-N 2.69Å
523	L	87.6	Confident	85.5	Confident	38 Å²	38	68.4 Å²	68.4	20%	0.199	34%	0.337	C	S	.	.	S	Bend	trans	-84.3	154.2	-178.9	-66.8	177.9	0	0	0	112.9	W508 L519 A520 E527 R528 Q531 V600	W508-L523 HydrophobicContact CH2-CD1 3.53Å; W508-L523 HydrophobicContact CZ2-CD1 4.39Å; W508-L523 HydrophobicContact CZ3-CD1 3.97Å; L519-L523 WeakPolarHBondContact O-CG 3.44Å; L519-L523 PolarHBondContact O-N 2.65Å; A520-L523 PolarHBondContact O-N 3.48Å; L523-E527 HydrophobicContact CB-CB 4.47Å; L523-E527 HydrophobicContact CD1-CG 4.29Å; L523-E527 HydrophobicContact CD2-CG 4.02Å; L523-R528 HydrophobicContact CB-CG 4.04Å; L523-R528 PolarHBondContact O-NE 3.39Å; L523-R528 PolarHBondContact O-NH2 3.46Å; L523-Q531 HydrophobicContact CD1-CG 4.15Å; L523-V600 HydrophobicContact CD1-CG1 4.22Å; L523-V600 HydrophobicContact CD1-CG2 4.3Å; L523-V600 HydrophobicContact CD2-CG1 4.49Å
524	S	88.8	Confident	86.3	Confident	62 Å²	62	65.3 Å²	65.3	43%	0.434	32%	0.318	S	S	.	.			trans	-69.4	160.9	172.5	74.7	0	0	0	0	112.1	E526 E527 R528	S524-E526 PolarHBondContact O-N 2.8Å; S524-E527 PolarHBondContact O-N 2.9Å; S524-E527 WeakPolarHBondContact OG-CB 3.32Å; S524-E527 PolarHBondContact OG-N 2.84Å; S524-E527 VanDerWaalsContact OG-N 3.17Å; S524-R528 VanDerWaalsContact O-CG 3.26Å; S524-R528 WeakPolarHBondContact O-CG 3.46Å; S524-R528 PolarHBondContact O-N 3.08Å
525	Q	88	Confident	86.9	Confident	98 Å²	98	66.7 Å²	66.7	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-67.4	-27.1	-178.6	-166.9	66.6	0.8	0	0	112.5	R528 K529	Q525-R528 VanDerWaalsContact OE1-CD 3.31Å; Q525-K529 VanDerWaalsContact O-CG 3.27Å; Q525-K529 WeakPolarHBondContact O-CG 3.28Å; Q525-K529 PolarHBondContact O-N 3.36Å
526	E	88.1	Confident	87.6	Confident	126 Å²	126	63.9 Å²	63.9	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-69.6	-47.9	171.4	-63.5	65.1	-142.3	0	0	110.8	S524 K529 R530	S524-E526 PolarHBondContact O-N 2.8Å; E526-K529 PolarHBondContact O-N 2.96Å; E526-R530 PolarHBondContact O-N 2.91Å
527	E	90.5	Very high	88.4	Confident	33 Å²	33	55.5 Å²	55.5	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-69.2	-39.2	-178	-173.6	55.4	-144.5	0	0	111.5	L523 S524 K529 R530 Q531	L523-E527 HydrophobicContact CB-CB 4.47Å; L523-E527 HydrophobicContact CD1-CG 4.29Å; L523-E527 HydrophobicContact CD2-CG 4.02Å; S524-E527 PolarHBondContact O-N 2.9Å; S524-E527 WeakPolarHBondContact OG-CB 3.32Å; S524-E527 PolarHBondContact OG-N 2.84Å; S524-E527 VanDerWaalsContact OG-N 3.17Å; E527-K529 VanDerWaalsContact C-N 3.31Å; E527-K529 PolarHBondContact O-N 3.48Å; E527-R530 VanDerWaalsContact CD-NE 3.32Å; E527-R530 CarbonylContact O-C 3.58Å; E527-R530 WeakPolarHBondContact O-CA 3.19Å; E527-R530 WeakPolarHBondContact O-CB 3.46Å; E527-R530 PolarHBondContact O-N 3.03Å; E527-R530 IonicContact OE1-CZ 2.69Å; E527-R530 IonicContact OE1-NE 3.33Å; E527-R530 PolarHBondContact OE1-NE 2.99Å; E527-R530 VanDerWaalsContact OE1-NE 3.09Å; E527-R530 IonicContact OE1-NH2 2.8Å; E527-R530 PolarHBondContact OE1-NH2 3.43Å; E527-R530 IonicContact OE2-CZ 2.65Å; E527-R530 IonicContact OE2-NE 3.53Å; E527-R530 PolarHBondContact OE2-NE 3.14Å; E527-R530 IonicContact OE2-NH2 3Å; E527-R530 PolarHBondContact OE2-NH2 3.31Å; E527-Q531 WeakPolarHBondContact O-CG 3.28Å; E527-Q531 PolarHBondContact O-N 3.48Å; E527-Q531 PolarHBondContact OE1-NE2 3.38Å
528	R	90.8	Very high	89.1	Confident	71 Å²	71	51.8 Å²	51.8	27%	0.268	26%	0.256	S	S	.	.	H	α-helix	trans	-52.3	-50.4	168.3	-69	167.6	-163.2	169.6	-2.2	110.8	A520 E521 L523 S524 Q525 R530 Q531 E532	A520-R528 PolarHBondContact O-NE 3.09Å; A520-R528 PolarHBondContact O-NH2 3.42Å; E521-R528 PolarHBondContact O-NH2 2.94Å; L523-R528 HydrophobicContact CB-CG 4.04Å; L523-R528 PolarHBondContact O-NE 3.39Å; L523-R528 PolarHBondContact O-NH2 3.46Å; S524-R528 VanDerWaalsContact O-CG 3.26Å; S524-R528 WeakPolarHBondContact O-CG 3.46Å; S524-R528 PolarHBondContact O-N 3.08Å; Q525-R528 VanDerWaalsContact OE1-CD 3.31Å; R528-R530 PolarHBondContact O-N 3.29Å; R528-Q531 PolarHBondContact O-N 2.78Å; R528-E532 VanDerWaalsContact O-CG 3.32Å; R528-E532 WeakPolarHBondContact O-CG 3.29Å; R528-E532 PolarHBondContact O-N 3.22Å
529	K	91.4	Very high	89.7	Confident	111 Å²	111	52.6 Å²	52.6	48%	0.483	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-24.4	178.3	-73.5	174.3	-179.8	-175.9	0	113.1	Q525 E526 E527 A533 K686	Q525-K529 VanDerWaalsContact O-CG 3.27Å; Q525-K529 WeakPolarHBondContact O-CG 3.28Å; Q525-K529 PolarHBondContact O-N 3.36Å; E526-K529 PolarHBondContact O-N 2.96Å; E527-K529 VanDerWaalsContact C-N 3.31Å; E527-K529 PolarHBondContact O-N 3.48Å; K529-A533 PolarHBondContact O-N 2.8Å; K529-K686 HydrophobicContact CB-CD 4.4Å; K529-K686 HydrophobicContact CB-CG 4.35Å
530	R	93.9	Very high	90.4	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-76.5	-45	172.5	-160.3	174.6	75.6	94.2	13.6	111.6	E526 E527 R528 E532 A533 I534 D602 K686 T687	E526-R530 PolarHBondContact O-N 2.91Å; E527-R530 VanDerWaalsContact CD-NE 3.32Å; E527-R530 CarbonylContact O-C 3.58Å; E527-R530 WeakPolarHBondContact O-CA 3.19Å; E527-R530 WeakPolarHBondContact O-CB 3.46Å; E527-R530 PolarHBondContact O-N 3.03Å; E527-R530 IonicContact OE1-CZ 2.69Å; E527-R530 IonicContact OE1-NE 3.33Å; E527-R530 PolarHBondContact OE1-NE 2.99Å; E527-R530 VanDerWaalsContact OE1-NE 3.09Å; E527-R530 IonicContact OE1-NH2 2.8Å; E527-R530 PolarHBondContact OE1-NH2 3.43Å; E527-R530 IonicContact OE2-CZ 2.65Å; E527-R530 IonicContact OE2-NE 3.53Å; E527-R530 PolarHBondContact OE2-NE 3.14Å; E527-R530 IonicContact OE2-NH2 3Å; E527-R530 PolarHBondContact OE2-NH2 3.31Å; R528-R530 PolarHBondContact O-N 3.29Å; R530-E532 PolarHBondContact O-N 3.44Å; R530-A533 PolarHBondContact O-N 2.95Å; R530-I534 HydrophobicContact CG-CD1 4.32Å; R530-I534 WeakPolarHBondContact O-CG1 3.43Å; R530-I534 PolarHBondContact O-N 3.42Å; R530-D602 VanDerWaalsContact CZ-O 3.25Å; R530-D602 PolarHBondContact NH1-O 2.91Å; R530-D602 PolarHBondContact NH2-O 3.3Å; R530-K686 HydrophobicContact CB-CB 3.84Å; R530-K686 HydrophobicContact CG-CB 4Å; R530-T687 WeakPolarHBondContact CD-OG1 3.34Å
531	Q	94.5	Very high	91.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-41.8	174.3	-65.3	-57	-47.2	0	0	112	W508 L523 E527 R528 A533 I534 F535 I601	W508-Q531 HydrophobicContact CD2-CB 3.65Å; W508-Q531 HydrophobicContact CD2-CG 4.39Å; W508-Q531 HydrophobicContact CE3-CB 3.87Å; W508-Q531 HydrophobicContact CG-CB 4.01Å; W508-Q531 HydrophobicContact CH2-CG 4.39Å; W508-Q531 HydrophobicContact CZ2-CB 4.37Å; W508-Q531 HydrophobicContact CZ2-CG 4.22Å; W508-Q531 HydrophobicContact CZ3-CB 4.33Å; L523-Q531 HydrophobicContact CD1-CG 4.15Å; E527-Q531 WeakPolarHBondContact O-CG 3.28Å; E527-Q531 PolarHBondContact O-N 3.48Å; E527-Q531 PolarHBondContact OE1-NE2 3.38Å; R528-Q531 PolarHBondContact O-N 2.78Å; Q531-A533 PolarHBondContact O-N 3.09Å; Q531-I534 PolarHBondContact O-N 3.19Å; Q531-F535 VanDerWaalsContact O-CB 3.29Å; Q531-F535 WeakPolarHBondContact O-CB 3.29Å; Q531-F535 PolarHBondContact O-N 3.37Å; Q531-I601 PolarHBondContact NE2-O 3.48Å
532	E	93.2	Very high	92	Very high	49 Å²	49	46.5 Å²	46.5	23%	0.229	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-43.8	173.3	-66.9	-64	170.7	0	0	112.2	S507 W508 S509 R528 R530 F535 E536	S507-E532 WeakPolarHBondContact CA-OE2 3.39Å; S507-E532 WeakPolarHBondContact CB-OE1 3.47Å; S507-E532 VanDerWaalsContact CB-OE2 3.23Å; S507-E532 WeakPolarHBondContact CB-OE2 3.46Å; W508-E532 VanDerWaalsContact N-CD 3.34Å; W508-E532 PolarHBondContact N-OE1 2.9Å; W508-E532 PolarHBondContact N-OE2 3.02Å; S509-E532 VanDerWaalsContact CB-OE1 3.23Å; S509-E532 WeakPolarHBondContact CB-OE1 3.43Å; S509-E532 PolarHBondContact N-OE1 2.83Å; S509-E532 PolarHBondContact OG-OE1 3.18Å; R528-E532 VanDerWaalsContact O-CG 3.32Å; R528-E532 WeakPolarHBondContact O-CG 3.29Å; R528-E532 PolarHBondContact O-N 3.22Å; R530-E532 PolarHBondContact O-N 3.44Å; E532-F535 PolarHBondContact O-N 3.19Å; E532-E536 PolarHBondContact O-N 3.36Å
533	A	94.1	Very high	92.3	Very high	7 Å²	7	40.6 Å²	40.6	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-69.7	-36	179	0	0	0	0	0	113.1	K529 R530 Q531 V537 T682 I683	K529-A533 PolarHBondContact O-N 2.8Å; R530-A533 PolarHBondContact O-N 2.95Å; Q531-A533 PolarHBondContact O-N 3.09Å; A533-V537 PolarHBondContact O-N 3.24Å; A533-T682 HydrophobicContact CB-CG2 3.97Å; A533-I683 HydrophobicContact CB-CG1 3.76Å
534	I	95.1	Very high	92.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-48.1	171.8	-68.3	166	0	0	0	109.7	R530 Q531 E536 V537 I538 I601 I604 I683	R530-I534 HydrophobicContact CG-CD1 4.32Å; R530-I534 WeakPolarHBondContact O-CG1 3.43Å; R530-I534 PolarHBondContact O-N 3.42Å; Q531-I534 PolarHBondContact O-N 3.19Å; I534-E536 VanDerWaalsContact C-N 3.28Å; I534-E536 PolarHBondContact O-N 3.49Å; I534-V537 WeakPolarHBondContact O-CB 3.17Å; I534-V537 PolarHBondContact O-N 3.37Å; I534-I538 HydrophobicContact CG2-CD1 4.33Å; I534-I538 PolarHBondContact O-N 3.31Å; I534-I601 HydrophobicContact CG2-CB 4.1Å; I534-I601 HydrophobicContact CG2-CD1 3.87Å; I534-I601 HydrophobicContact CG2-CG2 4.1Å; I534-I604 HydrophobicContact CG2-CD1 4.2Å; I534-I604 HydrophobicContact CG2-CG1 4.35Å; I534-I604 HydrophobicContact CG2-CG2 3.81Å; I534-I683 HydrophobicContact CG1-CD1 3.98Å; I534-I683 HydrophobicContact CG1-CG1 4.15Å; I534-I683 HydrophobicContact CG1-CG2 4.28Å
535	F	93.6	Very high	93	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.127	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-32.5	179	-172.3	-99.9	0	0	0	112.5	T506 W508 L511 Q531 E532 V537 I538 S539	T506-F535 VanDerWaalsContact O-CE1 3.31Å; T506-F535 WeakPolarHBondContact O-CE1 3.39Å; W508-F535 HydrophobicContact CB-CB 3.87Å; W508-F535 HydrophobicContact CB-CD1 4.35Å; W508-F535 HydrophobicContact CB-CG 4.04Å; W508-F535 HydrophobicContact CG-CB 4.38Å; L511-F535 HydrophobicContact CD1-CD2 4.3Å; L511-F535 HydrophobicContact CD1-CE2 3.86Å; L511-F535 HydrophobicContact CD1-CZ 4.2Å; L511-F535 HydrophobicContact CD2-CE2 4.41Å; L511-F535 HydrophobicContact CD2-CZ 4Å; Q531-F535 VanDerWaalsContact O-CB 3.29Å; Q531-F535 WeakPolarHBondContact O-CB 3.29Å; Q531-F535 PolarHBondContact O-N 3.37Å; E532-F535 PolarHBondContact O-N 3.19Å; F535-V537 VanDerWaalsContact C-N 3.34Å; F535-V537 PolarHBondContact O-N 3.03Å; F535-I538 PolarHBondContact O-N 3.27Å; F535-S539 WeakPolarHBondContact O-CB 3.38Å; F535-S539 PolarHBondContact O-N 3.02Å; F535-S539 PolarHBondContact O-OG 2.95Å
536	E	94	Very high	93.2	Very high	65 Å²	65	34.9 Å²	34.9	30%	0.304	17%	0.167	S	C	.	.	H	α-helix	trans	-60.4	-41.5	171.6	-157.6	-154.4	141.8	0	0	111.6	E532 I534 I538 S539 S540 R675 L679	E532-E536 PolarHBondContact O-N 3.36Å; I534-E536 VanDerWaalsContact C-N 3.28Å; I534-E536 PolarHBondContact O-N 3.49Å; E536-I538 PolarHBondContact O-N 3.35Å; E536-S539 PolarHBondContact O-OG 3.09Å; E536-S540 WeakPolarHBondContact O-CB 3.44Å; E536-S540 PolarHBondContact O-N 3.14Å; E536-S540 PolarHBondContact O-OG 2.84Å; E536-R675 IonicContact OE1-CZ 3.12Å; E536-R675 IonicContact OE1-NE 1.94Å; E536-R675 IonicContact OE1-NH2 2.7Å; E536-R675 PolarHBondContact OE1-NH2 2.89Å; E536-L679 VanDerWaalsContact OE1-CD2 3.23Å; E536-L679 WeakPolarHBondContact OE1-CD2 3.15Å
537	V	95.4	Very high	93.4	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-59	-48.1	176.9	175.6	0	0	0	0	110.9	A533 I534 F535 S540 E541 F587 L591 I604 R672 L676 L679 I683	A533-V537 PolarHBondContact O-N 3.24Å; I534-V537 WeakPolarHBondContact O-CB 3.17Å; I534-V537 PolarHBondContact O-N 3.37Å; F535-V537 VanDerWaalsContact C-N 3.34Å; F535-V537 PolarHBondContact O-N 3.03Å; V537-S540 PolarHBondContact O-OG 3.43Å; V537-E541 WeakPolarHBondContact O-CB 3.27Å; V537-E541 PolarHBondContact O-N 3Å; V537-F587 HydrophobicContact CG1-CZ 4.46Å; V537-L591 HydrophobicContact CG1-CD1 4.12Å; V537-I604 HydrophobicContact CB-CD1 3.87Å; V537-I604 HydrophobicContact CG1-CD1 3.8Å; V537-I604 HydrophobicContact CG2-CD1 4.11Å; V537-R672 PolarHBondContact O-NH2 2.91Å; V537-L676 HydrophobicContact CG1-CD2 4.48Å; V537-L679 HydrophobicContact CG2-CB 3.62Å; V537-L679 HydrophobicContact CG2-CD1 3.93Å; V537-L679 HydrophobicContact CG2-CG 4.38Å; V537-I683 HydrophobicContact CG2-CD1 3.83Å
538	I	93.7	Very high	93.6	Very high	9 Å²	9	27.4 Å²	27.4	5%	0.046	13%	0.133	C	C	.	.	H	α-helix	trans	-68.7	-54.8	-175.6	-52.5	-177	0	0	0	110.9	I534 F535 E536 S540 E541 H542 F588 L591 H595 I601	I534-I538 HydrophobicContact CG2-CD1 4.33Å; I534-I538 PolarHBondContact O-N 3.31Å; F535-I538 PolarHBondContact O-N 3.27Å; E536-I538 PolarHBondContact O-N 3.35Å; I538-S540 VanDerWaalsContact C-N 3.33Å; I538-S540 PolarHBondContact O-N 3Å; I538-E541 WeakPolarHBondContact O-CB 3.35Å; I538-E541 PolarHBondContact O-N 3.34Å; I538-E541 VanDerWaalsContact O-N 3.08Å; I538-H542 PolarHBondContact O-N 3.34Å; I538-F588 HydrophobicContact CG2-CE2 4.08Å; I538-L591 HydrophobicContact CD1-CB 4.42Å; I538-L591 HydrophobicContact CG1-CB 4.08Å; I538-L591 HydrophobicContact CG1-CD1 4.37Å; I538-L591 HydrophobicContact CG1-CD2 4.38Å; I538-L591 HydrophobicContact CG2-CB 4.3Å; I538-H595 HydrophobicContact CD1-CB 4.19Å; I538-I601 HydrophobicContact CD1-CD1 3.52Å
539	S	90.8	Very high	93.8	Very high	40 Å²	40	27.8 Å²	27.8	28%	0.28	14%	0.137	S	C	.	.	H	α-helix	trans	-61.6	-39.3	-179.6	56.7	0	0	0	0	112.6	F535 E536 E541 H542 S543	F535-S539 WeakPolarHBondContact O-CB 3.38Å; F535-S539 PolarHBondContact O-N 3.02Å; F535-S539 PolarHBondContact O-OG 2.95Å; E536-S539 PolarHBondContact O-OG 3.09Å; S539-E541 VanDerWaalsContact C-N 3.34Å; S539-H542 PolarHBondContact O-N 2.97Å; S539-S543 PolarHBondContact O-N 3.37Å; S539-S543 VanDerWaalsContact O-N 3.16Å; S539-S543 PolarHBondContact O-OG 3.45Å
540	S	94.6	Very high	93.9	Very high	11 Å²	11	22.9 Å²	22.9	8%	0.077	12%	0.116	C	C	.	.	H	α-helix	trans	-78.5	-12.6	176	71.1	0	0	0	0	114.3	E536 V537 I538 Y544 R672	E536-S540 WeakPolarHBondContact O-CB 3.44Å; E536-S540 PolarHBondContact O-N 3.14Å; E536-S540 PolarHBondContact O-OG 2.84Å; V537-S540 PolarHBondContact O-OG 3.43Å; I538-S540 VanDerWaalsContact C-N 3.33Å; I538-S540 PolarHBondContact O-N 3Å; S540-Y544 WeakPolarHBondContact O-CB 3.27Å; S540-Y544 PolarHBondContact O-N 3.06Å; S540-R672 PolarHBondContact O-NH1 2.95Å; S540-R672 PolarHBondContact OG-NH1 3.12Å
541	E	95.9	Very high	94	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-76.1	-45.8	165.3	-168.8	66.9	-149.6	0	0	110	V537 I538 S539 S543 Y544 L545 S584 F587 F588 L591 R672	V537-E541 WeakPolarHBondContact O-CB 3.27Å; V537-E541 PolarHBondContact O-N 3Å; I538-E541 WeakPolarHBondContact O-CB 3.35Å; I538-E541 PolarHBondContact O-N 3.34Å; I538-E541 VanDerWaalsContact O-N 3.08Å; S539-E541 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 3.46Å; E541-Y544 WeakPolarHBondContact O-CB 3.36Å; E541-Y544 PolarHBondContact O-N 3.34Å; E541-Y544 VanDerWaalsContact O-N 3.12Å; E541-Y544 WeakPolarHBondContact OE1-CD1 3.44Å; E541-L545 WeakPolarHBondContact O-CB 3.45Å; E541-L545 PolarHBondContact O-N 2.75Å; E541-S584 PolarHBondContact OE1-OG 3.4Å; E541-F587 VanDerWaalsContact CD-CD1 3.47Å; E541-F587 HydrophobicContact CG-CD1 3.93Å; E541-F587 HydrophobicContact CG-CE1 4.18Å; E541-F587 WeakPolarHBondContact OE2-CE1 3.17Å; E541-F588 HydrophobicContact CB-CD2 4Å; E541-F588 HydrophobicContact CG-CB 3.82Å; E541-F588 HydrophobicContact CG-CD2 4.02Å; E541-F588 HydrophobicContact CG-CG 4.36Å; E541-L591 HydrophobicContact CB-CD1 4.49Å; E541-R672 IonicContact OE2-CZ 3.78Å; E541-R672 IonicContact OE2-NE 3.23Å; E541-R672 PolarHBondContact OE2-NE 3.47Å; E541-R672 IonicContact OE2-NH2 3.42Å; E541-R672 PolarHBondContact OE2-NH2 2.97Å
542	H	92.9	Very high	94.1	Very high	80 Å²	80	24 Å²	24	37%	0.37	12%	0.122	S	C	.	.	H	α-helix	trans	-54.5	-53	176	-179.4	-103.1	0	0	0	112.1	I538 S539 Y544 L545 H546 F588	I538-H542 PolarHBondContact O-N 3.34Å; S539-H542 PolarHBondContact O-N 2.97Å; H542-Y544 VanDerWaalsContact C-N 3.25Å; H542-Y544 PolarHBondContact O-N 2.89Å; H542-L545 PolarHBondContact O-N 2.55Å; H542-H546 PolarHBondContact O-N 3.46Å; H542-F588 HydrophobicContact CB-CD2 4.32Å; H542-F588 HydrophobicContact CB-CE2 3.65Å; H542-F588 HydrophobicContact CB-CZ 3.89Å; H542-F588 AromaticContact CD2-CZ 3.78Å
543	S	91.1	Very high	94.3	Very high	18 Å²	18	27.9 Å²	27.9	13%	0.126	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-26.6	178.9	-54.5	0	0	0	0	113.5	S539 E541 S547	S539-S543 PolarHBondContact O-N 3.37Å; S539-S543 VanDerWaalsContact O-N 3.16Å; S539-S543 PolarHBondContact O-OG 3.45Å; E541-S543 PolarHBondContact O-N 3.46Å; S543-S547 PolarHBondContact O-N 2.58Å; S543-S547 PolarHBondContact O-OG 2.84Å
544	Y	96.1	Very high	94.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-74.3	-45.9	173.5	162.5	-105.6	0	0	0	111.6	S540 E541 H542 S547 L548 S584 Y619 L668 R672	S540-Y544 WeakPolarHBondContact O-CB 3.27Å; S540-Y544 PolarHBondContact O-N 3.06Å; E541-Y544 WeakPolarHBondContact O-CB 3.36Å; E541-Y544 PolarHBondContact O-N 3.34Å; E541-Y544 VanDerWaalsContact O-N 3.12Å; E541-Y544 WeakPolarHBondContact OE1-CD1 3.44Å; H542-Y544 VanDerWaalsContact C-N 3.25Å; H542-Y544 PolarHBondContact O-N 2.89Å; Y544-S547 CarbonylContact O-C 3.15Å; Y544-S547 WeakPolarHBondContact O-CA 3.21Å; Y544-S547 WeakPolarHBondContact O-CB 3.37Å; Y544-S547 PolarHBondContact O-N 3.4Å; Y544-S547 VanDerWaalsContact O-N 3.09Å; Y544-L548 HydrophobicContact CD2-CG 4.49Å; Y544-L548 HydrophobicContact CE1-CD1 3.78Å; Y544-L548 HydrophobicContact CE1-CG 4.23Å; Y544-L548 HydrophobicContact CE2-CD1 4.29Å; Y544-L548 HydrophobicContact CE2-CD2 3.78Å; Y544-L548 HydrophobicContact CE2-CG 3.98Å; Y544-L548 PolarHBondContact O-N 3.33Å; Y544-S584 WeakPolarHBondContact CE1-OG 3.34Å; Y544-Y619 WeakPolarHBondContact CE1-OH 3.24Å; Y544-Y619 WeakPolarHBondContact OH-CE1 3.31Å; Y544-Y619 PolarHBondContact OH-OH 3.46Å; Y544-L668 HydrophobicContact CD2-CB 4.23Å; Y544-L668 HydrophobicContact CE2-CB 3.9Å; Y544-R672 HydrophobicContact CD1-CB 4.33Å; Y544-R672 HydrophobicContact CD1-CG 3.76Å; Y544-R672 HydrophobicContact CD2-CB 3.89Å; Y544-R672 HydrophobicContact CD2-CG 4.15Å; Y544-R672 HydrophobicContact CE1-CB 4.03Å; Y544-R672 HydrophobicContact CE1-CG 3.67Å; Y544-R672 HydrophobicContact CE2-CB 3.56Å; Y544-R672 HydrophobicContact CE2-CG 4.08Å; Y544-R672 HydrophobicContact CG-CB 4.26Å; Y544-R672 HydrophobicContact CG-CG 3.99Å
545	L	95.1	Very high	94.3	Very high	16 Å²	16	28.4 Å²	28.4	8%	0.084	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-49.6	175.8	172	57.2	0	0	0	111.1	E541 H542 S547 L548 E549 K585 F588	E541-L545 WeakPolarHBondContact O-CB 3.45Å; E541-L545 PolarHBondContact O-N 2.75Å; H542-L545 PolarHBondContact O-N 2.55Å; L545-S547 PolarHBondContact O-N 2.87Å; L545-L548 WeakPolarHBondContact O-CA 3.17Å; L545-L548 WeakPolarHBondContact O-CB 3.4Å; L545-L548 PolarHBondContact O-N 3.27Å; L545-E549 HydrophobicContact CD1-CG 4.16Å; L545-E549 PolarHBondContact O-N 3.29Å; L545-K585 HydrophobicContact CD1-CD 4.46Å; L545-K585 HydrophobicContact CD1-CG 3.51Å; L545-K585 HydrophobicContact CD2-CG 3.91Å; L545-K585 HydrophobicContact CG-CG 4.36Å; L545-F588 HydrophobicContact CD2-CB 4.26Å; L545-F588 HydrophobicContact CD2-CD1 4.11Å; L545-F588 HydrophobicContact CD2-CG 4.34Å
546	H	92	Very high	94.4	Very high	62 Å²	62	29.4 Å²	29.4	29%	0.287	14%	0.14	S	C	.	.	H	α-helix	trans	-54.1	-38.9	174.1	-178.1	92.9	0	0	0	112.1	H542 E549 I550	H542-H546 PolarHBondContact O-N 3.46Å; H546-E549 PolarHBondContact O-N 3.47Å; H546-I550 WeakPolarHBondContact O-CG1 3.46Å; H546-I550 PolarHBondContact O-N 3.12Å
547	S	92.9	Very high	94.6	Very high	3 Å²	3	31 Å²	31	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-69.7	-32.1	175.7	-57.1	0	0	0	0	113.4	S543 Y544 L545 L551	S543-S547 PolarHBondContact O-N 2.58Å; S543-S547 PolarHBondContact O-OG 2.84Å; Y544-S547 CarbonylContact O-C 3.15Å; Y544-S547 WeakPolarHBondContact O-CA 3.21Å; Y544-S547 WeakPolarHBondContact O-CB 3.37Å; Y544-S547 PolarHBondContact O-N 3.4Å; Y544-S547 VanDerWaalsContact O-N 3.09Å; L545-S547 PolarHBondContact O-N 2.87Å; S547-L551 PolarHBondContact O-N 3.27Å; S547-L551 VanDerWaalsContact O-N 3.13Å
548	L	95.2	Very high	94.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.2	-36.9	170.1	-64	-172.7	0	0	0	112.1	Y544 L545 L551 I552 I577 V580 C581 L668 P669	Y544-L548 HydrophobicContact CD2-CG 4.49Å; Y544-L548 HydrophobicContact CE1-CD1 3.78Å; Y544-L548 HydrophobicContact CE1-CG 4.23Å; Y544-L548 HydrophobicContact CE2-CD1 4.29Å; Y544-L548 HydrophobicContact CE2-CD2 3.78Å; Y544-L548 HydrophobicContact CE2-CG 3.98Å; Y544-L548 PolarHBondContact O-N 3.33Å; L545-L548 WeakPolarHBondContact O-CA 3.17Å; L545-L548 WeakPolarHBondContact O-CB 3.4Å; L545-L548 PolarHBondContact O-N 3.27Å; L548-L551 WeakPolarHBondContact O-CB 3.41Å; L548-L551 PolarHBondContact O-N 3.01Å; L548-I552 WeakPolarHBondContact O-CG1 3Å; L548-I552 PolarHBondContact O-N 2.64Å; L548-I577 HydrophobicContact CD2-CD1 4.08Å; L548-V580 HydrophobicContact CD1-CG1 4.43Å; L548-C581 HydrophobicContact CB-CB 4.35Å; L548-C581 HydrophobicContact CD1-CB 4.04Å; L548-L668 HydrophobicContact CD2-CB 4.48Å; L548-P669 HydrophobicContact CD2-CG 4.22Å
549	E	94.9	Very high	94.6	Very high	79 Å²	79	34.7 Å²	34.7	37%	0.369	18%	0.178	S	C	.	.	H	α-helix	trans	-70.7	-35.8	178.8	-67.4	-168.4	140.9	0	0	111.7	L545 H546 I552 R553 K585	L545-E549 HydrophobicContact CD1-CG 4.16Å; L545-E549 PolarHBondContact O-N 3.29Å; H546-E549 PolarHBondContact O-N 3.47Å; E549-I552 PolarHBondContact O-N 3.02Å; E549-R553 WeakPolarHBondContact O-CB 3.42Å; E549-R553 PolarHBondContact O-N 2.9Å; E549-K585 WeakPolarHBondContact OE1-CE 2.95Å; E549-K585 IonicContact OE1-NZ 3.73Å; E549-K585 PolarHBondContact OE1-NZ 2.88Å
550	I	93.8	Very high	94.8	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-48.1	165.6	-69.2	162.9	0	0	0	110.6	H546 I552 R553 M554 F665	H546-I550 WeakPolarHBondContact O-CG1 3.46Å; H546-I550 PolarHBondContact O-N 3.12Å; I550-I552 VanDerWaalsContact C-N 3.31Å; I550-I552 PolarHBondContact O-N 3.02Å; I550-R553 PolarHBondContact O-N 3.38Å; I550-M554 HydrophobicContact CG2-CB 4.49Å; I550-M554 HydrophobicContact CG2-CG 4.03Å; I550-M554 VanDerWaalsContact O-CB 3.29Å; I550-M554 WeakPolarHBondContact O-CB 3.44Å; I550-M554 PolarHBondContact O-N 3.07Å; I550-F665 HydrophobicContact CB-CE1 4.16Å; I550-F665 HydrophobicContact CG2-CD1 4.38Å; I550-F665 HydrophobicContact CG2-CE1 3.7Å; I550-F665 HydrophobicContact CG2-CZ 3.84Å
551	L	95.6	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-56.8	-44.1	178.3	176.3	56.4	0	0	0	112.3	S547 L548 F555 K556 F574 I577 M662 F665 L666	S547-L551 PolarHBondContact O-N 3.27Å; S547-L551 VanDerWaalsContact O-N 3.13Å; L548-L551 WeakPolarHBondContact O-CB 3.41Å; L548-L551 PolarHBondContact O-N 3.01Å; L551-F555 HydrophobicContact CD1-CB 4.38Å; L551-F555 HydrophobicContact CD1-CD2 4.23Å; L551-F555 PolarHBondContact O-N 2.71Å; L551-K556 PolarHBondContact O-N 2.7Å; L551-K556 VanDerWaalsContact O-N 3.12Å; L551-F574 HydrophobicContact CD1-CE1 4.25Å; L551-I577 HydrophobicContact CD2-CD1 3.91Å; L551-I577 HydrophobicContact CD2-CG1 3.76Å; L551-I577 HydrophobicContact CG-CG1 4.4Å; L551-M662 HydrophobicContact CD1-CG 4.41Å; L551-F665 HydrophobicContact CB-CB 4.11Å; L551-F665 HydrophobicContact CD1-CB 3.88Å; L551-F665 HydrophobicContact CD2-CB 4.27Å; L551-F665 HydrophobicContact CG-CB 4.3Å; L551-L666 HydrophobicContact CD1-CD2 4Å; L551-L666 HydrophobicContact CD1-CG 4.29Å; L551-L666 HydrophobicContact CD2-CD2 4.33Å
552	I	96.9	Very high	94.7	Very high	25 Å²	25	38.2 Å²	38.2	13%	0.128	19%	0.193	C	C	.	.	I	π-helix	trans	-72.2	-47.6	-179.5	-70.2	171.9	0	0	0	111.3	L548 E549 I550 K556 N557 I577 C581	L548-I552 WeakPolarHBondContact O-CG1 3Å; L548-I552 PolarHBondContact O-N 2.64Å; E549-I552 PolarHBondContact O-N 3.02Å; I550-I552 VanDerWaalsContact C-N 3.31Å; I550-I552 PolarHBondContact O-N 3.02Å; I552-K556 PolarHBondContact O-N 3.49Å; I552-N557 VanDerWaalsContact O-CB 3.27Å; I552-N557 WeakPolarHBondContact O-CB 3.38Å; I552-N557 PolarHBondContact O-N 3.18Å; I552-I577 HydrophobicContact CG1-CG1 4.4Å; I552-I577 HydrophobicContact CG1-CG2 4.22Å; I552-C581 HydrophobicContact CD1-CB 3.47Å; I552-C581 VanDerWaalsContact CD1-CB 3.47Å
553	R	96	Very high	94.7	Very high	131 Å²	131	41.8 Å²	41.8	49%	0.494	21%	0.21	S	C	.	.	I	π-helix	trans	-70.4	-48.9	-175.8	179.4	170.2	55.7	88.6	-3.3	112.7	E549 I550 D656	E549-R553 WeakPolarHBondContact O-CB 3.42Å; E549-R553 PolarHBondContact O-N 2.9Å; I550-R553 PolarHBondContact O-N 3.38Å; R553-D656 IonicContact CZ-OD2 3.68Å; R553-D656 IonicContact NH1-OD2 2.67Å; R553-D656 PolarHBondContact NH1-OD2 2.72Å; R553-D656 IonicContact NH2-OD2 3.41Å; R553-D656 PolarHBondContact NH2-OD2 3.08Å
554	M	94.9	Very high	94.8	Very high	19 Å²	19	41.8 Å²	41.8	9%	0.094	21%	0.212	C	C	.	.	I	π-helix	trans	-82.7	-34.8	-172.1	-62	-55	-55.9	0	0	113.2	I550 L651 H654	I550-M554 HydrophobicContact CG2-CB 4.49Å; I550-M554 HydrophobicContact CG2-CG 4.03Å; I550-M554 VanDerWaalsContact O-CB 3.29Å; I550-M554 WeakPolarHBondContact O-CB 3.44Å; I550-M554 PolarHBondContact O-N 3.07Å; M554-L651 HydrophobicContact CE-CD2 4.24Å; M554-H654 HydrophobicContact CE-CB 3.86Å; M554-H654 VanDerWaalsContact CE-CG 3.41Å; M554-H654 WeakPolarHBondContact CE-ND1 3.36Å
555	F	95.8	Very high	94.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-110.9	-59.2	-174.3	-55.9	-83.7	0	0	0	112.6	L551 N557 S558 L561 F574 L648 L651 E652 C657 M662 F665	L551-F555 HydrophobicContact CD1-CB 4.38Å; L551-F555 HydrophobicContact CD1-CD2 4.23Å; L551-F555 PolarHBondContact O-N 2.71Å; F555-N557 VanDerWaalsContact C-N 3.32Å; F555-N557 PolarHBondContact O-N 3.29Å; F555-S558 PolarHBondContact O-N 3.35Å; F555-L561 HydrophobicContact CB-CD2 4.08Å; F555-L561 HydrophobicContact CD1-CD2 4.23Å; F555-F574 HydrophobicContact CB-CE1 3.92Å; F555-F574 HydrophobicContact CB-CZ 3.99Å; F555-L648 HydrophobicContact CD1-CD1 4.08Å; F555-L648 HydrophobicContact CE1-CD1 3.91Å; F555-L651 HydrophobicContact CD1-CB 4.19Å; F555-L651 HydrophobicContact CD1-CD1 4.32Å; F555-L651 HydrophobicContact CE1-CB 3.82Å; F555-E652 HydrophobicContact CE1-CG 4.01Å; F555-E652 HydrophobicContact CZ-CG 4.22Å; F555-C657 HydrophobicContact CZ-CB 4.47Å; F555-M662 HydrophobicContact CB-CG 4.21Å; F555-M662 HydrophobicContact CB-SD 3.64Å; F555-M662 HydrophobicContact CD1-CB 3.86Å; F555-M662 HydrophobicContact CD1-CG 3.71Å; F555-M662 HydrophobicContact CD1-SD 3.51Å; F555-M662 VanDerWaalsContact CD1-SD 3.51Å; F555-M662 HydrophobicContact CD2-CG 4.2Å; F555-M662 HydrophobicContact CE1-CB 3.71Å; F555-M662 HydrophobicContact CE1-CG 4.08Å; F555-M662 HydrophobicContact CE1-SD 4.33Å; F555-M662 HydrophobicContact CG-CB 4.33Å; F555-M662 HydrophobicContact CG-CG 3.77Å; F555-M662 HydrophobicContact CG-SD 3.69Å; F555-M662 HydrophobicContact CZ-CB 4.05Å; F555-M662 HydrophobicContact CZ-CG 4.45Å; F555-F665 HydrophobicContact CE2-CD2 4Å; F555-F665 HydrophobicContact CE2-CE2 4.15Å; F555-F665 HydrophobicContact CZ-CD2 4.5Å
556	K	95.9	Very high	94.6	Very high	50 Å²	50	45.5 Å²	45.5	22%	0.217	23%	0.234	C	C	.	.	I	π-helix	trans	-60.6	-41.1	-175.2	-179.7	-176.9	155.2	-74.3	0	112.8	L551 I552 H570 F574 I577 S578	L551-K556 PolarHBondContact O-N 2.7Å; L551-K556 VanDerWaalsContact O-N 3.12Å; I552-K556 PolarHBondContact O-N 3.49Å; K556-H570 PolarHBondContact O-NE2 2.7Å; K556-F574 HydrophobicContact CB-CD1 3.75Å; K556-F574 HydrophobicContact CB-CD2 4.21Å; K556-F574 HydrophobicContact CB-CE1 3.96Å; K556-F574 HydrophobicContact CB-CE2 4.39Å; K556-F574 HydrophobicContact CB-CG 3.89Å; K556-F574 HydrophobicContact CB-CZ 4.28Å; K556-F574 HydrophobicContact CD-CB 4.18Å; K556-F574 HydrophobicContact CD-CG 4.45Å; K556-F574 HydrophobicContact CG-CB 4.07Å; K556-F574 HydrophobicContact CG-CD1 4.23Å; K556-F574 HydrophobicContact CG-CD2 4.09Å; K556-F574 HydrophobicContact CG-CG 3.85Å; K556-I577 HydrophobicContact CD-CG2 3.61Å; K556-S578 WeakPolarHBondContact CE-OG 3.43Å; K556-S578 PolarHBondContact NZ-OG 2.65Å
557	N	96.5	Very high	94.7	Very high	97 Å²	97	51.4 Å²	51.4	52%	0.519	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5.6	-174.7	-63.5	-2.4	0	0	0	113.3	I552 F555 S559	I552-N557 VanDerWaalsContact O-CB 3.27Å; I552-N557 WeakPolarHBondContact O-CB 3.38Å; I552-N557 PolarHBondContact O-N 3.18Å; F555-N557 VanDerWaalsContact C-N 3.32Å; F555-N557 PolarHBondContact O-N 3.29Å; N557-S559 PolarHBondContact O-N 3.18Å
558	S	96	Very high	94.6	Very high	16 Å²	16	56.7 Å²	56.7	11%	0.112	29%	0.286	C	S	.	.			trans	-71.4	121	172.1	172.2	0	0	0	0	110.1	F555 L561 S562	F555-S558 PolarHBondContact O-N 3.35Å; S558-L561 PolarHBondContact OG-N 2.82Å; S558-L561 VanDerWaalsContact OG-N 3.17Å; S558-S562 WeakPolarHBondContact O-CB 3.4Å; S558-S562 PolarHBondContact O-N 3Å
559	S	94.8	Very high	94.5	Very high	73 Å²	73	57.6 Å²	57.6	51%	0.51	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-50.8	172.3	48.3	0	0	0	0	110.7	N557 L561 S562 E563	N557-S559 PolarHBondContact O-N 3.18Å; S559-L561 VanDerWaalsContact C-N 3.3Å; S559-L561 PolarHBondContact O-N 2.81Å; S559-S562 CarbonylContact O-C 3.59Å; S559-S562 WeakPolarHBondContact O-CA 3.23Å; S559-S562 WeakPolarHBondContact O-CB 3.34Å; S559-S562 PolarHBondContact O-N 2.96Å; S559-E563 WeakPolarHBondContact O-CB 3.16Å; S559-E563 WeakPolarHBondContact O-CG 3.23Å; S559-E563 PolarHBondContact O-N 3.33Å
560	E	94.4	Very high	94.5	Very high	80 Å²	80	55.6 Å²	55.6	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-54.6	-43.4	-179.8	-52	-177.1	-85.9	0	0	112.5	A564 V647 R650	E560-A564 WeakPolarHBondContact O-CB 3.41Å; E560-A564 PolarHBondContact O-N 3.16Å; E560-V647 HydrophobicContact CB-CG1 3.79Å; E560-V647 HydrophobicContact CB-CG2 4.29Å; E560-R650 VanDerWaalsContact CD-NH2 3.31Å; E560-R650 IonicContact OE1-CZ 3.56Å; E560-R650 IonicContact OE1-NH1 2.69Å; E560-R650 PolarHBondContact OE1-NH1 3.46Å; E560-R650 IonicContact OE1-NH2 3.52Å; E560-R650 PolarHBondContact OE1-NH2 2.83Å; E560-R650 IonicContact OE2-CZ 3.77Å; E560-R650 IonicContact OE2-NH1 3.56Å; E560-R650 PolarHBondContact OE2-NH1 3.07Å; E560-R650 IonicContact OE2-NH2 2.66Å; E560-R650 PolarHBondContact OE2-NH2 3Å
561	L	93.6	Very high	94.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-72	-35.7	178.2	-164.3	70.6	0	0	0	111.3	F555 S558 S559 M565 F574 F644 V647 L648 L651 M662	F555-L561 HydrophobicContact CB-CD2 4.08Å; F555-L561 HydrophobicContact CD1-CD2 4.23Å; S558-L561 PolarHBondContact OG-N 2.82Å; S558-L561 VanDerWaalsContact OG-N 3.17Å; S559-L561 VanDerWaalsContact C-N 3.3Å; S559-L561 PolarHBondContact O-N 2.81Å; L561-M565 HydrophobicContact CD2-CE 4.34Å; L561-M565 HydrophobicContact CG-CE 3.83Å; L561-M565 WeakPolarHBondContact O-CE 3.33Å; L561-F574 HydrophobicContact CD2-CZ 4.28Å; L561-F644 HydrophobicContact CD1-CD2 3.69Å; L561-F644 HydrophobicContact CD1-CE2 3.52Å; L561-F644 HydrophobicContact CD1-CZ 4.25Å; L561-F644 HydrophobicContact CG-CD2 4.33Å; L561-F644 HydrophobicContact CG-CE2 3.97Å; L561-V647 HydrophobicContact CB-CG1 4.05Å; L561-V647 HydrophobicContact CD1-CB 4.31Å; L561-V647 HydrophobicContact CD1-CG1 3.94Å; L561-L648 HydrophobicContact CD1-CB 4.19Å; L561-L651 HydrophobicContact CB-CD1 4Å; L561-L651 HydrophobicContact CD1-CD1 4.2Å; L561-L651 HydrophobicContact CD2-CD1 4.06Å; L561-L651 HydrophobicContact CG-CD1 4.31Å; L561-M662 HydrophobicContact CD2-SD 4.19Å
562	S	94.2	Very high	94.3	Very high	45 Å²	45	64 Å²	64	32%	0.315	32%	0.319	S	S	.	.	H	α-helix	trans	-73.1	-27.6	177.1	-171.8	0	0	0	0	113.7	S558 S559 M565	S558-S562 WeakPolarHBondContact O-CB 3.4Å; S558-S562 PolarHBondContact O-N 3Å; S559-S562 CarbonylContact O-C 3.59Å; S559-S562 WeakPolarHBondContact O-CA 3.23Å; S559-S562 WeakPolarHBondContact O-CB 3.34Å; S559-S562 PolarHBondContact O-N 2.96Å; S562-M565 VanDerWaalsContact O-O 3.1Å
563	E	93.7	Very high	94.2	Very high	155 Å²	155	62.8 Å²	62.8	72%	0.724	31%	0.313	S	S	*	.	H	α-helix	trans	-76.5	-31.8	174.6	-74.4	165.6	-149	0	0	111	S559 M565	S559-E563 WeakPolarHBondContact O-CB 3.16Å; S559-E563 WeakPolarHBondContact O-CG 3.23Å; S559-E563 PolarHBondContact O-N 3.33Å; E563-M565 PolarHBondContact O-N 3.34Å
564	A	92.3	Very high	94.2	Very high	19 Å²	19	56.7 Å²	56.7	16%	0.157	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	4.8	175.4	0	0	0	0	0	114.8	E560 N641 F644	E560-A564 WeakPolarHBondContact O-CB 3.41Å; E560-A564 PolarHBondContact O-N 3.16Å; A564-N641 PolarHBondContact O-ND2 3.41Å; A564-F644 HydrophobicContact CB-CB 3.93Å; A564-F644 HydrophobicContact CB-CD2 4.46Å
565	M	93.8	Very high	94.3	Very high	20 Å²	20	56.7 Å²	56.7	10%	0.099	29%	0.293	C	S	.	.	S	Bend	trans	-144.5	168	177.4	75.5	178.8	98.4	0	0	112.7	L561 S562 E563 D569 H570 L573 F574 L636 F644	L561-M565 HydrophobicContact CD2-CE 4.34Å; L561-M565 HydrophobicContact CG-CE 3.83Å; L561-M565 WeakPolarHBondContact O-CE 3.33Å; S562-M565 VanDerWaalsContact O-O 3.1Å; E563-M565 PolarHBondContact O-N 3.34Å; M565-D569 HydrophobicContact CB-CB 4.26Å; M565-D569 HydrophobicContact CG-CB 4.47Å; M565-D569 HydrophobicContact SD-CB 4.34Å; M565-H570 HydrophobicContact CG-CB 4.15Å; M565-H570 WeakPolarHBondContact SD-CA 3.46Å; M565-H570 HydrophobicContact SD-CB 3.72Å; M565-H570 PolarHBondContact SD-N 2.92Å; M565-L573 HydrophobicContact CE-CD2 3.93Å; M565-L573 HydrophobicContact SD-CD2 4.07Å; M565-F574 HydrophobicContact CE-CE2 4.22Å; M565-L636 HydrophobicContact CB-CD1 4.16Å; M565-L636 HydrophobicContact CB-CD2 3.91Å; M565-L636 HydrophobicContact SD-CD1 4.02Å; M565-F644 HydrophobicContact CE-CD2 4.18Å; M565-F644 HydrophobicContact CE-CE2 3.69Å
566	T	93.4	Very high	94.3	Very high	73 Å²	73	57.1 Å²	57.1	45%	0.448	30%	0.295	S	S	.	.			trans	-77.5	155.6	173.9	79	0	0	0	0	111.4	I568 D569 H570	T566-I568 PolarHBondContact O-N 3.36Å; T566-I568 VanDerWaalsContact O-N 3.14Å; T566-I568 PolarHBondContact OG1-N 2.86Å; T566-D569 WeakPolarHBondContact CB-OD2 3.39Å; T566-D569 WeakPolarHBondContact CG2-OD2 3.43Å; T566-D569 PolarHBondContact O-N 3.29Å; T566-D569 VanDerWaalsContact OG1-CG 3.29Å; T566-D569 PolarHBondContact OG1-N 2.69Å; T566-D569 PolarHBondContact OG1-OD2 2.83Å; T566-H570 PolarHBondContact O-N 3.24Å
567	K	93.5	Very high	94.4	Very high	187 Å²	187	54.7 Å²	54.7	81%	0.813	28%	0.284	S	S	*	.	H	α-helix	trans	-56.6	-28.4	172.5	-63.3	-175.1	179.8	-177.7	0	113	H571	K567-H571 WeakPolarHBondContact O-CB 3.31Å; K567-H571 PolarHBondContact O-N 3.34Å; K567-H571 VanDerWaalsContact O-N 3.14Å
568	I	91.8	Very high	94.4	Very high	114 Å²	114	51.9 Å²	51.9	59%	0.585	27%	0.272	S	S	*	.	H	α-helix	trans	-73.9	-43.8	176.5	-63.7	173.5	0	0	0	110.2	T566 H571 H572	T566-I568 PolarHBondContact O-N 3.36Å; T566-I568 VanDerWaalsContact O-N 3.14Å; T566-I568 PolarHBondContact OG1-N 2.86Å; I568-H571 PolarHBondContact O-N 2.95Å; I568-H572 WeakPolarHBondContact CG2-CE1 3.35Å; I568-H572 PolarHBondContact O-N 2.76Å; I568-H572 PolarHBondContact O-ND1 3.07Å; I568-H572 VanDerWaalsContact O-ND1 3.13Å
569	D	92.9	Very high	94.5	Very high	18 Å²	18	54.9 Å²	54.9	10%	0.096	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-40.6	175.4	-62.9	-62.5	0	0	0	111.6	M565 T566 H571 H572 L573 T632 R635 L636	M565-D569 HydrophobicContact CB-CB 4.26Å; M565-D569 HydrophobicContact CG-CB 4.47Å; M565-D569 HydrophobicContact SD-CB 4.34Å; T566-D569 WeakPolarHBondContact CB-OD2 3.39Å; T566-D569 WeakPolarHBondContact CG2-OD2 3.43Å; T566-D569 PolarHBondContact O-N 3.29Å; T566-D569 VanDerWaalsContact OG1-CG 3.29Å; T566-D569 PolarHBondContact OG1-N 2.69Å; T566-D569 PolarHBondContact OG1-OD2 2.83Å; D569-H571 PolarHBondContact O-N 2.95Å; D569-H572 PolarHBondContact O-N 3.41Å; D569-L573 WeakPolarHBondContact O-CB 3.38Å; D569-L573 PolarHBondContact O-N 3.5Å; D569-T632 HydrophobicContact CB-CG2 3.76Å; D569-R635 IonicContact OD1-CZ 2.76Å; D569-R635 IonicContact OD1-NH1 3.29Å; D569-R635 PolarHBondContact OD1-NH1 3.45Å; D569-L636 HydrophobicContact CB-CD1 4.23Å; D569-L636 HydrophobicContact CB-CD2 4.41Å
570	H	95	Very high	94.7	Very high	37 Å²	37	51.4 Å²	51.4	17%	0.171	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-46.3	174.3	-172.4	-78	0	0	0	111.5	K556 M565 T566 H572 L573 F574	K556-H570 PolarHBondContact O-NE2 2.7Å; M565-H570 HydrophobicContact CG-CB 4.15Å; M565-H570 WeakPolarHBondContact SD-CA 3.46Å; M565-H570 HydrophobicContact SD-CB 3.72Å; M565-H570 PolarHBondContact SD-N 2.92Å; T566-H570 PolarHBondContact O-N 3.24Å; H570-H572 PolarHBondContact O-N 3.03Å; H570-L573 PolarHBondContact O-N 3.37Å; H570-F574 AromaticContact CD2-CD2 3.81Å; H570-F574 AromaticContact CD2-CE2 3.74Å; H570-F574 AromaticContact CE1-CD2 3.67Å; H570-F574 AromaticContact CG-CD2 3.91Å; H570-F574 AromaticContact ND1-CD2 3.84Å; H570-F574 AromaticContact NE2-CD2 3.65Å; H570-F574 AromaticContact NE2-CE2 3.72Å; H570-F574 WeakPolarHBondContact O-CD2 3.36Å; H570-F574 PolarHBondContact O-N 3Å
571	H	93.6	Very high	94.9	Very high	120 Å²	120	47.7 Å²	47.7	56%	0.556	25%	0.245	S	C	*	.	H	α-helix	trans	-62.9	-41.7	175.7	-174.1	64.4	0	0	0	112.8	K567 I568 D569 S575	K567-H571 WeakPolarHBondContact O-CB 3.31Å; K567-H571 PolarHBondContact O-N 3.34Å; K567-H571 VanDerWaalsContact O-N 3.14Å; I568-H571 PolarHBondContact O-N 2.95Å; D569-H571 PolarHBondContact O-N 2.95Å; H571-S575 WeakPolarHBondContact O-CA 3.38Å; H571-S575 PolarHBondContact O-N 3.31Å
572	H	92.3	Very high	95.1	Very high	64 Å²	64	51.8 Å²	51.8	30%	0.296	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-32.2	175.8	-68.1	139.3	0	0	0	113.3	I568 D569 H570 Q629 T632	I568-H572 WeakPolarHBondContact CG2-CE1 3.35Å; I568-H572 PolarHBondContact O-N 2.76Å; I568-H572 PolarHBondContact O-ND1 3.07Å; I568-H572 VanDerWaalsContact O-ND1 3.13Å; D569-H572 PolarHBondContact O-N 3.41Å; H570-H572 PolarHBondContact O-N 3.03Å; H572-Q629 WeakPolarHBondContact O-CA 3.32Å; H572-Q629 WeakPolarHBondContact O-CG 3.37Å; H572-T632 HydrophobicContact CB-CG2 4.29Å
573	L	94.4	Very high	95.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-76.9	-41.6	-176.9	-177.6	63.7	0	0	0	112.7	M565 D569 H570 Q629 T632 L633 L636 M662 L666	M565-L573 HydrophobicContact CE-CD2 3.93Å; M565-L573 HydrophobicContact SD-CD2 4.07Å; D569-L573 WeakPolarHBondContact O-CB 3.38Å; D569-L573 PolarHBondContact O-N 3.5Å; H570-L573 PolarHBondContact O-N 3.37Å; L573-Q629 WeakPolarHBondContact O-CG 3.27Å; L573-T632 HydrophobicContact CB-CG2 4.42Å; L573-L633 HydrophobicContact CD1-CB 3.84Å; L573-L633 HydrophobicContact CD1-CD1 4.3Å; L573-L636 HydrophobicContact CD2-CD1 4.33Å; L573-M662 HydrophobicContact CD1-CE 4.29Å; L573-M662 HydrophobicContact CD2-CE 3.95Å; L573-L666 HydrophobicContact CD1-CD1 3.73Å; L573-L666 WeakPolarHBondContact O-CD2 3.24Å
574	F	95.9	Very high	95.5	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-103.9	-16.2	-178.1	-60.8	-67.5	0	0	0	113.8	L551 F555 K556 L561 M565 H570 N576 I577 M662 L666	L551-F574 HydrophobicContact CD1-CE1 4.25Å; F555-F574 HydrophobicContact CB-CE1 3.92Å; F555-F574 HydrophobicContact CB-CZ 3.99Å; K556-F574 HydrophobicContact CB-CD1 3.75Å; K556-F574 HydrophobicContact CB-CD2 4.21Å; K556-F574 HydrophobicContact CB-CE1 3.96Å; K556-F574 HydrophobicContact CB-CE2 4.39Å; K556-F574 HydrophobicContact CB-CG 3.89Å; K556-F574 HydrophobicContact CB-CZ 4.28Å; K556-F574 HydrophobicContact CD-CB 4.18Å; K556-F574 HydrophobicContact CD-CG 4.45Å; K556-F574 HydrophobicContact CG-CB 4.07Å; K556-F574 HydrophobicContact CG-CD1 4.23Å; K556-F574 HydrophobicContact CG-CD2 4.09Å; K556-F574 HydrophobicContact CG-CG 3.85Å; L561-F574 HydrophobicContact CD2-CZ 4.28Å; M565-F574 HydrophobicContact CE-CE2 4.22Å; H570-F574 AromaticContact CD2-CD2 3.81Å; H570-F574 AromaticContact CD2-CE2 3.74Å; H570-F574 AromaticContact CE1-CD2 3.67Å; H570-F574 AromaticContact CG-CD2 3.91Å; H570-F574 AromaticContact ND1-CD2 3.84Å; H570-F574 AromaticContact NE2-CD2 3.65Å; H570-F574 AromaticContact NE2-CE2 3.72Å; H570-F574 WeakPolarHBondContact O-CD2 3.36Å; H570-F574 PolarHBondContact O-N 3Å; F574-N576 PolarHBondContact O-N 3.25Å; F574-I577 HydrophobicContact CB-CG2 4.06Å; F574-I577 VanDerWaalsContact O-CB 3.29Å; F574-I577 WeakPolarHBondContact O-CB 3.36Å; F574-I577 VanDerWaalsContact O-CG2 3.29Å; F574-I577 WeakPolarHBondContact O-CG2 3.43Å; F574-I577 PolarHBondContact O-N 2.88Å; F574-M662 HydrophobicContact CE1-SD 4.11Å; F574-M662 HydrophobicContact CZ-SD 4.07Å; F574-L666 HydrophobicContact CD1-CD2 4.18Å; F574-L666 HydrophobicContact CE1-CD2 4.41Å
575	S	95.5	Very high	95.7	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	-125.1	176.4	-169.2	0	0	0	0	111.6	H571 N625	H571-S575 WeakPolarHBondContact O-CA 3.38Å; H571-S575 PolarHBondContact O-N 3.31Å; S575-N625 PolarHBondContact OG-ND2 3.35Å; S575-N625 VanDerWaalsContact OG-ND2 3.1Å
576	N	96.7	Very high	95.9	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.043	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	34.9	175.7	70.8	-69.2	0	0	0	113.9	F574 S578 D579 V580 P618 K621 Y622	F574-N576 PolarHBondContact O-N 3.25Å; N576-S578 PolarHBondContact O-N 3.34Å; N576-S578 VanDerWaalsContact O-N 3.14Å; N576-D579 HydrophobicContact CB-CB 4.35Å; N576-D579 WeakPolarHBondContact CB-OD2 3.48Å; N576-D579 WeakPolarHBondContact O-CB 3.48Å; N576-D579 PolarHBondContact O-N 2.92Å; N576-V580 PolarHBondContact O-N 3.28Å; N576-P618 PolarHBondContact ND2-O 3.06Å; N576-K621 HydrophobicContact CB-CD 4.14Å; N576-K621 WeakPolarHBondContact OD1-CG 3.3Å; N576-Y622 VanDerWaalsContact OD1-CA 3.29Å; N576-Y622 WeakPolarHBondContact OD1-CA 3.49Å; N576-Y622 PolarHBondContact OD1-N 2.99Å; N576-Y622 VanDerWaalsContact OD1-N 3.08Å
577	I	97.6	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.4	-29.6	-177.8	-168.2	59.3	0	0	0	114.1	L548 L551 I552 K556 F574 V580 C581 Y622 P669	L548-I577 HydrophobicContact CD2-CD1 4.08Å; L551-I577 HydrophobicContact CD2-CD1 3.91Å; L551-I577 HydrophobicContact CD2-CG1 3.76Å; L551-I577 HydrophobicContact CG-CG1 4.4Å; I552-I577 HydrophobicContact CG1-CG1 4.4Å; I552-I577 HydrophobicContact CG1-CG2 4.22Å; K556-I577 HydrophobicContact CD-CG2 3.61Å; F574-I577 HydrophobicContact CB-CG2 4.06Å; F574-I577 VanDerWaalsContact O-CB 3.29Å; F574-I577 WeakPolarHBondContact O-CB 3.36Å; F574-I577 VanDerWaalsContact O-CG2 3.29Å; F574-I577 WeakPolarHBondContact O-CG2 3.43Å; F574-I577 PolarHBondContact O-N 2.88Å; I577-V580 HydrophobicContact CD1-CB 4.36Å; I577-V580 HydrophobicContact CD1-CG1 4.42Å; I577-V580 PolarHBondContact O-N 3.04Å; I577-C581 WeakPolarHBondContact O-CB 3.4Å; I577-C581 PolarHBondContact O-N 3.02Å; I577-Y622 HydrophobicContact CB-CD2 4.21Å; I577-Y622 HydrophobicContact CB-CE2 3.79Å; I577-Y622 HydrophobicContact CD1-CD2 4.25Å; I577-Y622 HydrophobicContact CD1-CE2 3.76Å; I577-Y622 HydrophobicContact CG1-CE2 4.25Å; I577-P669 HydrophobicContact CD1-CG 3.7Å
578	S	97.7	Very high	96.4	Very high	38 Å²	38	37.9 Å²	37.9	27%	0.266	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-44.3	175	-68.4	0	0	0	0	111.7	K556 N576 V580 C581 E582	K556-S578 WeakPolarHBondContact CE-OG 3.43Å; K556-S578 PolarHBondContact NZ-OG 2.65Å; N576-S578 PolarHBondContact O-N 3.34Å; N576-S578 VanDerWaalsContact O-N 3.14Å; S578-V580 VanDerWaalsContact C-N 3.27Å; S578-V580 PolarHBondContact O-N 3.03Å; S578-C581 PolarHBondContact O-N 3.12Å; S578-C581 VanDerWaalsContact O-N 3.17Å; S578-E582 WeakPolarHBondContact O-CG 3.4Å; S578-E582 PolarHBondContact O-N 3.22Å
579	D	98.1	Very high	96.6	Very high	79 Å²	79	38.3 Å²	38.3	42%	0.422	18%	0.184	S	C	.	.	H	α-helix	trans	-61.6	-36.6	175.5	-49.8	-4.8	0	0	0	111.5	N576 A583 P618	N576-D579 HydrophobicContact CB-CB 4.35Å; N576-D579 WeakPolarHBondContact CB-OD2 3.48Å; N576-D579 WeakPolarHBondContact O-CB 3.48Å; N576-D579 PolarHBondContact O-N 2.92Å; D579-A583 WeakPolarHBondContact O-CB 3.43Å; D579-A583 PolarHBondContact O-N 3.21Å; D579-P618 HydrophobicContact CB-CB 3.85Å; D579-P618 HydrophobicContact CB-CG 4.22Å
580	V	98.3	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-41.9	175.3	174.9	0	0	0	0	111.3	L548 N576 I577 S578 A583 S584 P618 Y619 Y622 P669	L548-V580 HydrophobicContact CD1-CG1 4.43Å; N576-V580 PolarHBondContact O-N 3.28Å; I577-V580 HydrophobicContact CD1-CB 4.36Å; I577-V580 HydrophobicContact CD1-CG1 4.42Å; I577-V580 PolarHBondContact O-N 3.04Å; S578-V580 VanDerWaalsContact C-N 3.27Å; S578-V580 PolarHBondContact O-N 3.03Å; V580-A583 WeakPolarHBondContact O-CB 3.46Å; V580-A583 PolarHBondContact O-N 3.2Å; V580-S584 PolarHBondContact O-N 3.07Å; V580-P618 HydrophobicContact CG2-CB 4.13Å; V580-Y619 HydrophobicContact CG1-CD1 4.07Å; V580-Y619 HydrophobicContact CG1-CD2 4.33Å; V580-Y619 HydrophobicContact CG1-CE1 3.72Å; V580-Y619 HydrophobicContact CG1-CE2 3.98Å; V580-Y619 HydrophobicContact CG1-CG 4.36Å; V580-Y622 HydrophobicContact CG2-CD2 4.45Å; V580-Y622 HydrophobicContact CG2-CG 4.17Å; V580-P669 HydrophobicContact CG1-CB 4.01Å; V580-P669 HydrophobicContact CG1-CG 4.03Å
581	C	98	Very high	96.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-44.4	176.4	-170	0	0	0	0	111.6	L548 I552 I577 S578 A583 S584 K585	L548-C581 HydrophobicContact CB-CB 4.35Å; L548-C581 HydrophobicContact CD1-CB 4.04Å; I552-C581 HydrophobicContact CD1-CB 3.47Å; I552-C581 VanDerWaalsContact CD1-CB 3.47Å; I577-C581 WeakPolarHBondContact O-CB 3.4Å; I577-C581 PolarHBondContact O-N 3.02Å; S578-C581 PolarHBondContact O-N 3.12Å; S578-C581 VanDerWaalsContact O-N 3.17Å; C581-A583 VanDerWaalsContact C-N 3.28Å; C581-A583 PolarHBondContact O-N 3.44Å; C581-S584 WeakPolarHBondContact O-CB 3.4Å; C581-S584 PolarHBondContact O-N 2.83Å; C581-S584 VanDerWaalsContact O-N 3.16Å; C581-K585 WeakPolarHBondContact O-CG 3.49Å; C581-K585 PolarHBondContact O-N 3.48Å
582	E	98.1	Very high	97	Very high	87 Å²	87	37.1 Å²	37.1	41%	0.407	18%	0.178	S	C	.	.	H	α-helix	trans	-66.9	-27.5	175.6	-64.7	-54.2	130.1	0	0	113.1	S578 K585 K586	S578-E582 WeakPolarHBondContact O-CG 3.4Å; S578-E582 PolarHBondContact O-N 3.22Å; E582-K585 WeakPolarHBondContact OE1-CD 3.42Å; E582-K585 WeakPolarHBondContact OE1-CE 3.49Å; E582-K585 IonicContact OE1-NZ 3.52Å; E582-K585 PolarHBondContact OE1-NZ 3.29Å; E582-K586 WeakPolarHBondContact O-CD 3.12Å; E582-K586 VanDerWaalsContact O-CG 3.27Å; E582-K586 WeakPolarHBondContact O-CG 3.41Å; E582-K586 PolarHBondContact O-N 2.66Å
583	A	98.2	Very high	97.1	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-68.3	-45.2	168.9	0	0	0	0	0	112.1	D579 V580 C581 K586 F587 T615 Y619	D579-A583 WeakPolarHBondContact O-CB 3.43Å; D579-A583 PolarHBondContact O-N 3.21Å; V580-A583 WeakPolarHBondContact O-CB 3.46Å; V580-A583 PolarHBondContact O-N 3.2Å; C581-A583 VanDerWaalsContact C-N 3.28Å; C581-A583 PolarHBondContact O-N 3.44Å; A583-K586 PolarHBondContact O-N 3.08Å; A583-F587 PolarHBondContact O-N 3.25Å; A583-F587 VanDerWaalsContact O-N 3.14Å; A583-T615 HydrophobicContact CB-CG2 3.98Å; A583-T615 WeakPolarHBondContact CB-O 3.23Å; A583-Y619 HydrophobicContact CB-CE2 4.11Å
584	S	97.6	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-45.4	175	176	0	0	0	0	112	E541 Y544 V580 C581 K586 F587 F588	E541-S584 PolarHBondContact OE1-OG 3.4Å; Y544-S584 WeakPolarHBondContact CE1-OG 3.34Å; V580-S584 PolarHBondContact O-N 3.07Å; C581-S584 WeakPolarHBondContact O-CB 3.4Å; C581-S584 PolarHBondContact O-N 2.83Å; C581-S584 VanDerWaalsContact O-N 3.16Å; S584-K586 PolarHBondContact O-N 3.45Å; S584-F587 PolarHBondContact O-N 2.81Å; S584-F588 WeakPolarHBondContact O-CB 3.39Å; S584-F588 PolarHBondContact O-N 3.23Å
585	K	97.9	Very high	96.9	Very high	66 Å²	66	42.5 Å²	42.5	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-55.8	-46.1	175.7	-73.5	175.9	-176.1	175.3	0	113.2	L545 E549 C581 E582 F587 F588 K589	L545-K585 HydrophobicContact CD1-CD 4.46Å; L545-K585 HydrophobicContact CD1-CG 3.51Å; L545-K585 HydrophobicContact CD2-CG 3.91Å; L545-K585 HydrophobicContact CG-CG 4.36Å; E549-K585 WeakPolarHBondContact OE1-CE 2.95Å; E549-K585 IonicContact OE1-NZ 3.73Å; E549-K585 PolarHBondContact OE1-NZ 2.88Å; C581-K585 WeakPolarHBondContact O-CG 3.49Å; C581-K585 PolarHBondContact O-N 3.48Å; E582-K585 WeakPolarHBondContact OE1-CD 3.42Å; E582-K585 WeakPolarHBondContact OE1-CE 3.49Å; E582-K585 IonicContact OE1-NZ 3.52Å; E582-K585 PolarHBondContact OE1-NZ 3.29Å; K585-F587 VanDerWaalsContact C-N 3.34Å; K585-F588 PolarHBondContact O-N 3.38Å; K585-K589 WeakPolarHBondContact O-CB 3.17Å; K585-K589 PolarHBondContact O-N 3.43Å
586	K	98.3	Very high	96.6	Very high	118 Å²	118	49 Å²	49	51%	0.513	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-38.8	179.1	-71.3	168	-174.5	174.1	0	111.9	E582 A583 S584 E590 H611 T615	E582-K586 WeakPolarHBondContact O-CD 3.12Å; E582-K586 VanDerWaalsContact O-CG 3.27Å; E582-K586 WeakPolarHBondContact O-CG 3.41Å; E582-K586 PolarHBondContact O-N 2.66Å; A583-K586 PolarHBondContact O-N 3.08Å; S584-K586 PolarHBondContact O-N 3.45Å; K586-E590 PolarHBondContact O-N 3.16Å; K586-H611 WeakPolarHBondContact CB-CE1 3.49Å; K586-H611 PolarHBondContact O-CE1 2.88Å; K586-T615 HydrophobicContact CB-CG2 4.45Å
587	F	98.4	Very high	96.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-46.6	176	174.1	-125	0	0	0	112	V537 E541 A583 S584 K585 K589 E590 L591 I607 V608 H611 F616 L676	V537-F587 HydrophobicContact CG1-CZ 4.46Å; E541-F587 VanDerWaalsContact CD-CD1 3.47Å; E541-F587 HydrophobicContact CG-CD1 3.93Å; E541-F587 HydrophobicContact CG-CE1 4.18Å; E541-F587 WeakPolarHBondContact OE2-CE1 3.17Å; A583-F587 PolarHBondContact O-N 3.25Å; A583-F587 VanDerWaalsContact O-N 3.14Å; S584-F587 PolarHBondContact O-N 2.81Å; K585-F587 VanDerWaalsContact C-N 3.34Å; F587-K589 PolarHBondContact O-N 2.88Å; F587-E590 PolarHBondContact O-N 3.01Å; F587-L591 HydrophobicContact CD1-CD1 4.33Å; F587-L591 HydrophobicContact CD2-CD1 4.36Å; F587-L591 HydrophobicContact CD2-CG 4.45Å; F587-L591 HydrophobicContact CE1-CD1 3.86Å; F587-L591 HydrophobicContact CE2-CD1 3.89Å; F587-L591 HydrophobicContact CE2-CD2 4.33Å; F587-L591 HydrophobicContact CE2-CG 4.1Å; F587-L591 HydrophobicContact CZ-CD1 3.63Å; F587-L591 HydrophobicContact CZ-CG 4.34Å; F587-L591 WeakPolarHBondContact O-CG 3.24Å; F587-L591 PolarHBondContact O-N 2.8Å; F587-I607 HydrophobicContact CD2-CG2 4.01Å; F587-I607 HydrophobicContact CE2-CG2 4.08Å; F587-V608 HydrophobicContact CE2-CB 4.33Å; F587-V608 HydrophobicContact CE2-CG2 3.82Å; F587-V608 HydrophobicContact CZ-CG1 4.45Å; F587-V608 HydrophobicContact CZ-CG2 3.94Å; F587-H611 HydrophobicContact CB-CB 4.44Å; F587-H611 HydrophobicContact CD2-CB 3.91Å; F587-H611 AromaticContact CD2-CD2 3.84Å; F587-H611 AromaticContact CD2-CG 3.79Å; F587-H611 HydrophobicContact CG-CB 4.43Å; F587-H611 PolarHBondContact N-CE1 3.17Å; F587-F616 HydrophobicContact CB-CE1 3.92Å; F587-F616 HydrophobicContact CB-CZ 4.07Å; F587-F616 HydrophobicContact CD1-CE1 4.3Å; F587-F616 AromaticContact CD1-CZ 3.66Å; F587-F616 HydrophobicContact CD1-CZ 3.66Å; F587-F616 HydrophobicContact CD2-CZ 4.19Å; F587-F616 HydrophobicContact CE1-CZ 4.09Å; F587-F616 HydrophobicContact CG-CE1 4.09Å; F587-F616 AromaticContact CG-CZ 3.71Å; F587-F616 HydrophobicContact CG-CZ 3.71Å; F587-L676 HydrophobicContact CE1-CD1 4.46Å; F587-L676 HydrophobicContact CE1-CD2 4.16Å; F587-L676 HydrophobicContact CZ-CD2 4.4Å
588	F	97.6	Very high	96	Very high	19 Å²	19	58.1 Å²	58.1	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-46.8	175.8	179.8	-110.3	0	0	0	111.7	I538 E541 H542 L545 S584 K585 E590 L591 E592	I538-F588 HydrophobicContact CG2-CE2 4.08Å; E541-F588 HydrophobicContact CB-CD2 4Å; E541-F588 HydrophobicContact CG-CB 3.82Å; E541-F588 HydrophobicContact CG-CD2 4.02Å; E541-F588 HydrophobicContact CG-CG 4.36Å; H542-F588 HydrophobicContact CB-CD2 4.32Å; H542-F588 HydrophobicContact CB-CE2 3.65Å; H542-F588 HydrophobicContact CB-CZ 3.89Å; H542-F588 AromaticContact CD2-CZ 3.78Å; L545-F588 HydrophobicContact CD2-CB 4.26Å; L545-F588 HydrophobicContact CD2-CD1 4.11Å; L545-F588 HydrophobicContact CD2-CG 4.34Å; S584-F588 WeakPolarHBondContact O-CB 3.39Å; S584-F588 PolarHBondContact O-N 3.23Å; K585-F588 PolarHBondContact O-N 3.38Å; F588-E590 VanDerWaalsContact C-N 3.34Å; F588-E590 PolarHBondContact O-N 3.39Å; F588-L591 WeakPolarHBondContact O-CB 3.49Å; F588-L591 PolarHBondContact O-N 3.26Å; F588-L591 VanDerWaalsContact O-N 3.09Å; F588-E592 HydrophobicContact CE1-CB 4.19Å; F588-E592 HydrophobicContact CE1-CG 4.44Å; F588-E592 WeakPolarHBondContact CE1-OE1 3.42Å; F588-E592 HydrophobicContact CZ-CB 4.14Å; F588-E592 HydrophobicContact CZ-CG 4.39Å; F588-E592 WeakPolarHBondContact CZ-OE1 3.13Å; F588-E592 WeakPolarHBondContact O-CB 3.5Å; F588-E592 PolarHBondContact O-N 3.36Å
589	K	97.6	Very high	95.5	Very high	123 Å²	123	58.7 Å²	58.7	54%	0.535	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-45.3	179.6	178.8	169.8	180	174.8	0	112.4	K585 F587 L591 E592 D593	K585-K589 WeakPolarHBondContact O-CB 3.17Å; K585-K589 PolarHBondContact O-N 3.43Å; F587-K589 PolarHBondContact O-N 2.88Å; K589-L591 VanDerWaalsContact C-N 3.29Å; K589-L591 PolarHBondContact O-N 3.24Å; K589-E592 PolarHBondContact O-N 3.31Å; K589-D593 WeakPolarHBondContact CE-OD2 3.31Å; K589-D593 WeakPolarHBondContact O-CB 3.23Å; K589-D593 VanDerWaalsContact O-CG 3.31Å; K589-D593 PolarHBondContact O-N 3.02Å
590	E	97.6	Very high	95.1	Very high	53 Å²	53	57 Å²	57	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-68.8	-28.2	179.7	-70.9	-178.2	-158.1	0	0	112.8	K586 F587 F588 R594 I607 K610 H611	K586-E590 PolarHBondContact O-N 3.16Å; F587-E590 PolarHBondContact O-N 3.01Å; F588-E590 VanDerWaalsContact C-N 3.34Å; F588-E590 PolarHBondContact O-N 3.39Å; E590-R594 WeakPolarHBondContact O-CB 3.38Å; E590-R594 PolarHBondContact O-N 2.98Å; E590-I607 HydrophobicContact CB-CG2 3.78Å; E590-I607 WeakPolarHBondContact O-CD1 3.19Å; E590-K610 IonicContact OE1-NZ 3.09Å; E590-K610 PolarHBondContact OE1-NZ 2.67Å; E590-K610 IonicContact OE2-NZ 2.8Å; E590-K610 PolarHBondContact OE2-NZ 2.93Å; E590-H611 WeakPolarHBondContact CB-NE2 3.43Å; E590-H611 WeakPolarHBondContact CG-NE2 3.36Å; E590-H611 IonicContact OE1-CE1 3.38Å; E590-H611 PolarHBondContact OE1-CE1 3.4Å; E590-H611 IonicContact OE1-NE2 2.75Å; E590-H611 PolarHBondContact OE1-NE2 3.47Å; E590-H611 IonicContact OE2-CD2 2.73Å; E590-H611 IonicContact OE2-NE2 3.48Å; E590-H611 PolarHBondContact OE2-NE2 3.45Å
591	L	96.3	Very high	94.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-71.3	-39.9	170	-68.6	175.1	0	0	0	112.4	V537 I538 E541 F587 F588 K589 R594 H595 I604 I607	V537-L591 HydrophobicContact CG1-CD1 4.12Å; I538-L591 HydrophobicContact CD1-CB 4.42Å; I538-L591 HydrophobicContact CG1-CB 4.08Å; I538-L591 HydrophobicContact CG1-CD1 4.37Å; I538-L591 HydrophobicContact CG1-CD2 4.38Å; I538-L591 HydrophobicContact CG2-CB 4.3Å; E541-L591 HydrophobicContact CB-CD1 4.49Å; F587-L591 HydrophobicContact CD1-CD1 4.33Å; F587-L591 HydrophobicContact CD2-CD1 4.36Å; F587-L591 HydrophobicContact CD2-CG 4.45Å; F587-L591 HydrophobicContact CE1-CD1 3.86Å; F587-L591 HydrophobicContact CE2-CD1 3.89Å; F587-L591 HydrophobicContact CE2-CD2 4.33Å; F587-L591 HydrophobicContact CE2-CG 4.1Å; F587-L591 HydrophobicContact CZ-CD1 3.63Å; F587-L591 HydrophobicContact CZ-CG 4.34Å; F587-L591 WeakPolarHBondContact O-CG 3.24Å; F587-L591 PolarHBondContact O-N 2.8Å; F588-L591 WeakPolarHBondContact O-CB 3.49Å; F588-L591 PolarHBondContact O-N 3.26Å; F588-L591 VanDerWaalsContact O-N 3.09Å; K589-L591 VanDerWaalsContact C-N 3.29Å; K589-L591 PolarHBondContact O-N 3.24Å; L591-R594 PolarHBondContact O-N 3.37Å; L591-H595 PolarHBondContact O-N 2.93Å; L591-I604 HydrophobicContact CD2-CB 3.89Å; L591-I604 HydrophobicContact CD2-CD1 4.04Å; L591-I604 HydrophobicContact CD2-CG2 3.96Å; L591-I607 HydrophobicContact CD2-CD1 4.14Å; L591-I607 HydrophobicContact CD2-CG2 4.3Å; L591-I607 HydrophobicContact CG-CG2 4.48Å
592	E	94.6	Very high	94.5	Very high	97 Å²	97	61.9 Å²	61.9	45%	0.453	30%	0.297	S	S	.	.	H	α-helix	trans	-67.7	-47.5	177.7	-176.6	170.5	-116.8	0	0	111.2	F588 K589 R594 H595 Q596	F588-E592 HydrophobicContact CE1-CB 4.19Å; F588-E592 HydrophobicContact CE1-CG 4.44Å; F588-E592 WeakPolarHBondContact CE1-OE1 3.42Å; F588-E592 HydrophobicContact CZ-CB 4.14Å; F588-E592 HydrophobicContact CZ-CG 4.39Å; F588-E592 WeakPolarHBondContact CZ-OE1 3.13Å; F588-E592 WeakPolarHBondContact O-CB 3.5Å; F588-E592 PolarHBondContact O-N 3.36Å; K589-E592 PolarHBondContact O-N 3.31Å; E592-R594 PolarHBondContact O-N 3.14Å; E592-H595 PolarHBondContact O-N 3.17Å; E592-Q596 WeakPolarHBondContact O-CB 3.41Å; E592-Q596 PolarHBondContact O-N 2.95Å
593	D	95.3	Very high	94.2	Very high	72 Å²	72	58.5 Å²	58.5	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-54.2	-42.2	172.4	-74.2	-33	0	0	0	110.6	K589 Q597	K589-D593 WeakPolarHBondContact CE-OD2 3.31Å; K589-D593 WeakPolarHBondContact O-CB 3.23Å; K589-D593 VanDerWaalsContact O-CG 3.31Å; K589-D593 PolarHBondContact O-N 3.02Å; D593-Q597 WeakPolarHBondContact O-CB 3.47Å; D593-Q597 VanDerWaalsContact O-CD 3.26Å; D593-Q597 WeakPolarHBondContact O-CG 3.3Å; D593-Q597 PolarHBondContact O-N 3.09Å; D593-Q597 PolarHBondContact O-NE2 3.26Å
594	R	94.5	Very high	94.1	Very high	63 Å²	63	58.3 Å²	58.3	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-37.2	176.6	-177	65.6	59.2	78.6	1.5	112.8	E590 L591 E592 S598 I601 D603 I604 D606 I607	E590-R594 WeakPolarHBondContact O-CB 3.38Å; E590-R594 PolarHBondContact O-N 2.98Å; L591-R594 PolarHBondContact O-N 3.37Å; E592-R594 PolarHBondContact O-N 3.14Å; R594-S598 PolarHBondContact O-N 2.81Å; R594-I601 HydrophobicContact CG-CG2 3.93Å; R594-D603 PolarHBondContact NH1-O 3.04Å; R594-I604 HydrophobicContact CG-CG2 4.39Å; R594-D606 IonicContact CZ-OD1 3.79Å; R594-D606 IonicContact CZ-OD2 3.21Å; R594-D606 IonicContact NH1-OD1 2.84Å; R594-D606 PolarHBondContact NH1-OD1 2.96Å; R594-D606 IonicContact NH1-OD2 2.71Å; R594-D606 PolarHBondContact NH1-OD2 3.06Å; R594-D606 IonicContact NH2-OD1 3.56Å; R594-D606 IonicContact NH2-OD2 2.81Å; R594-D606 PolarHBondContact NH2-OD2 3.07Å; R594-I607 HydrophobicContact CB-CD1 3.91Å; R594-I607 HydrophobicContact CG-CD1 4.13Å
595	H	90.8	Very high	94	Very high	45 Å²	45	58.3 Å²	58.3	21%	0.208	28%	0.281	C	S	.	.	H	α-helix	trans	-71.6	-37.8	175.9	-174.4	39.5	0	0	0	112.4	I538 L591 E592 Q597 S598 I601	I538-H595 HydrophobicContact CD1-CB 4.19Å; L591-H595 PolarHBondContact O-N 2.93Å; E592-H595 PolarHBondContact O-N 3.17Å; H595-Q597 VanDerWaalsContact C-N 3.32Å; H595-S598 CarbonylContact O-C 3.57Å; H595-S598 PolarHBondContact O-N 3.29Å; H595-I601 HydrophobicContact CB-CD1 4.01Å
596	Q	90.6	Very high	93.9	Very high	155 Å²	155	58.4 Å²	58.4	72%	0.724	28%	0.284	S	S	*	.	H	α-helix	trans	-70.6	-28.8	177.5	-169.5	60.8	28.2	0	0	112.1	E592	E592-Q596 WeakPolarHBondContact O-CB 3.41Å; E592-Q596 PolarHBondContact O-N 2.95Å
597	Q	91.8	Very high	93.9	Very high	146 Å²	146	53 Å²	53	68%	0.682	26%	0.261	S	S	*	.	H	α-helix	trans	-68.9	-39.1	170.5	-74.7	160.5	22.3	0	0	112.9	D593 H595	D593-Q597 WeakPolarHBondContact O-CB 3.47Å; D593-Q597 VanDerWaalsContact O-CD 3.26Å; D593-Q597 WeakPolarHBondContact O-CG 3.3Å; D593-Q597 PolarHBondContact O-N 3.09Å; D593-Q597 PolarHBondContact O-NE2 3.26Å; H595-Q597 VanDerWaalsContact C-N 3.32Å
598	S	88.7	Confident	93.8	Very high	55 Å²	55	53 Å²	53	39%	0.385	26%	0.261	S	S	.	.			trans	-153.6	129.3	175.2	-176.2	0	0	0	0	112.8	R594 H595 V600 I601	R594-S598 PolarHBondContact O-N 2.81Å; H595-S598 CarbonylContact O-C 3.57Å; H595-S598 PolarHBondContact O-N 3.29Å; S598-V600 VanDerWaalsContact C-N 3.27Å; S598-V600 WeakPolarHBondContact CB-O 3.12Å; S598-V600 PolarHBondContact O-N 3.44Å; S598-V600 PolarHBondContact OG-N 3.12Å; S598-V600 PolarHBondContact OG-O 2.96Å; S598-I601 VanDerWaalsContact O-CG1 3.25Å; S598-I601 WeakPolarHBondContact O-CG1 3.09Å
599	I	86.9	Confident	93.8	Very high	50 Å²	50	52.4 Å²	52.4	26%	0.256	26%	0.259	S	S	.	.	S	Bend	trans	-64.1	-34.5	174.4	-56.7	169.3	0	0	0	110.8	W508 V513 V514 L519	W508-I599 HydrophobicContact CZ2-CG2 4.31Å; W508-I599 PolarHBondContact NE1-O 3.05Å; V513-I599 HydrophobicContact CB-CD1 4.01Å; V513-I599 HydrophobicContact CG1-CD1 3.44Å; V513-I599 VanDerWaalsContact CG1-CD1 3.44Å; V514-I599 HydrophobicContact CG2-CG2 3.41Å; V514-I599 VanDerWaalsContact CG2-CG2 3.41Å; L519-I599 HydrophobicContact CD1-CG2 4.38Å
600	V	90.7	Very high	93.8	Very high	42 Å²	42	51.2 Å²	51.2	26%	0.255	25%	0.254	S	S	.	.	S	Bend	trans	-96.3	103.7	170.9	-177.5	0	0	0	0	107.4	W508 L519 L523 S598	W508-V600 HydrophobicContact CH2-CG2 4.19Å; W508-V600 HydrophobicContact CZ2-CG2 3.82Å; L519-V600 HydrophobicContact CD1-CG2 4.39Å; L519-V600 HydrophobicContact CD2-CG2 4.42Å; L523-V600 HydrophobicContact CD1-CG1 4.22Å; L523-V600 HydrophobicContact CD1-CG2 4.3Å; L523-V600 HydrophobicContact CD2-CG1 4.49Å; S598-V600 VanDerWaalsContact C-N 3.27Å; S598-V600 WeakPolarHBondContact CB-O 3.12Å; S598-V600 PolarHBondContact O-N 3.44Å; S598-V600 PolarHBondContact OG-N 3.12Å; S598-V600 PolarHBondContact OG-O 2.96Å
601	I	92.5	Very high	93.8	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	24%	0.243	C	C	.	.			trans	-88.9	123.7	-171.8	-60.6	171.7	0	0	0	109.6	Q531 I534 I538 R594 H595 S598 D603 I604	Q531-I601 PolarHBondContact NE2-O 3.48Å; I534-I601 HydrophobicContact CG2-CB 4.1Å; I534-I601 HydrophobicContact CG2-CD1 3.87Å; I534-I601 HydrophobicContact CG2-CG2 4.1Å; I538-I601 HydrophobicContact CD1-CD1 3.52Å; R594-I601 HydrophobicContact CG-CG2 3.93Å; H595-I601 HydrophobicContact CB-CD1 4.01Å; S598-I601 VanDerWaalsContact O-CG1 3.25Å; S598-I601 WeakPolarHBondContact O-CG1 3.09Å; I601-D603 WeakPolarHBondContact CG2-O 3.36Å; I601-I604 HydrophobicContact CG2-CG2 3.71Å
602	D	90.3	Very high	93.9	Very high	100 Å²	100	49.3 Å²	49.3	54%	0.535	25%	0.246	S	C	.	.	S	Bend	trans	-68.5	-49.7	-179.4	-175.7	52.6	0	0	0	112.3	R530 R693	R530-D602 VanDerWaalsContact CZ-O 3.25Å; R530-D602 PolarHBondContact NH1-O 2.91Å; R530-D602 PolarHBondContact NH2-O 3.3Å; D602-R693 WeakPolarHBondContact OD1-CD 3.45Å; D602-R693 IonicContact OD1-CZ 3.62Å; D602-R693 IonicContact OD1-NE 3.89Å; D602-R693 IonicContact OD1-NH1 3.18Å; D602-R693 PolarHBondContact OD1-NH1 2.94Å; D602-R693 WeakPolarHBondContact OD2-CD 3.41Å
603	D	91.7	Very high	93.9	Very high	16 Å²	16	50 Å²	50	9%	0.086	25%	0.25	C	C	.	.			trans	-155.3	158.6	173.5	-161	-0.6	0	0	0	110.4	R594 I601 S605	R594-D603 PolarHBondContact NH1-O 3.04Å; I601-D603 WeakPolarHBondContact CG2-O 3.36Å; D603-S605 WeakPolarHBondContact OD1-CB 3.37Å; D603-S605 PolarHBondContact OD1-N 3.2Å; D603-S605 PolarHBondContact OD1-OG 3.29Å; D603-S605 WeakPolarHBondContact OD2-CB 3.22Å; D603-S605 PolarHBondContact OD2-OG 2.99Å
604	I	96	Very high	93.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.			trans	-124.8	-4.5	168	61.1	165	0	0	0	112.2	I534 V537 L591 R594 I601 D606 I607 V608 I683	I534-I604 HydrophobicContact CG2-CD1 4.2Å; I534-I604 HydrophobicContact CG2-CG1 4.35Å; I534-I604 HydrophobicContact CG2-CG2 3.81Å; V537-I604 HydrophobicContact CB-CD1 3.87Å; V537-I604 HydrophobicContact CG1-CD1 3.8Å; V537-I604 HydrophobicContact CG2-CD1 4.11Å; L591-I604 HydrophobicContact CD2-CB 3.89Å; L591-I604 HydrophobicContact CD2-CD1 4.04Å; L591-I604 HydrophobicContact CD2-CG2 3.96Å; R594-I604 HydrophobicContact CG-CG2 4.39Å; I601-I604 HydrophobicContact CG2-CG2 3.71Å; I604-D606 VanDerWaalsContact C-OD1 3.32Å; I604-D606 PolarHBondContact O-N 2.82Å; I604-I607 WeakPolarHBondContact O-CB 3.4Å; I604-I607 PolarHBondContact O-N 2.77Å; I604-V608 HydrophobicContact CD1-CG2 4.2Å; I604-V608 HydrophobicContact CG1-CG2 4.35Å; I604-V608 WeakPolarHBondContact O-CG2 3.29Å; I604-V608 PolarHBondContact O-N 2.92Å; I604-I683 HydrophobicContact CD1-CD1 4.07Å; I604-I683 HydrophobicContact CG1-CD1 4.4Å
605	S	96.8	Very high	93.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-26.7	-172.2	-56.5	0	0	0	0	112.9	D603 C609 C697 A700	D603-S605 WeakPolarHBondContact OD1-CB 3.37Å; D603-S605 PolarHBondContact OD1-N 3.2Å; D603-S605 PolarHBondContact OD1-OG 3.29Å; D603-S605 WeakPolarHBondContact OD2-CB 3.22Å; D603-S605 PolarHBondContact OD2-OG 2.99Å; S605-C609 WeakPolarHBondContact O-CB 3.46Å; S605-C609 PolarHBondContact O-N 3.27Å; S605-C697 VanDerWaalsContact OG-CA 3.28Å; S605-C697 WeakPolarHBondContact OG-CA 3.46Å; S605-C697 WeakPolarHBondContact OG-CB 3.45Å; S605-C697 PolarHBondContact OG-SG 3.31Å; S605-C697 VanDerWaalsContact OG-SG 3.42Å; S605-A700 WeakPolarHBondContact O-CB 3.46Å
606	D	95.8	Very high	94.2	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-49.6	170.9	64.8	-47.6	0	0	0	111.7	R594 I604 C609 K610	R594-D606 IonicContact CZ-OD1 3.79Å; R594-D606 IonicContact CZ-OD2 3.21Å; R594-D606 IonicContact NH1-OD1 2.84Å; R594-D606 PolarHBondContact NH1-OD1 2.96Å; R594-D606 IonicContact NH1-OD2 2.71Å; R594-D606 PolarHBondContact NH1-OD2 3.06Å; R594-D606 IonicContact NH2-OD1 3.56Å; R594-D606 IonicContact NH2-OD2 2.81Å; R594-D606 PolarHBondContact NH2-OD2 3.07Å; I604-D606 VanDerWaalsContact C-OD1 3.32Å; I604-D606 PolarHBondContact O-N 2.82Å; D606-C609 PolarHBondContact O-N 3.06Å; D606-K610 WeakPolarHBondContact O-CB 3.43Å; D606-K610 PolarHBondContact O-N 2.96Å
607	I	97.4	Very high	94.5	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-51.3	176.4	-57.9	162.3	0	0	0	109	F587 E590 L591 R594 I604 C609 K610 H611	F587-I607 HydrophobicContact CD2-CG2 4.01Å; F587-I607 HydrophobicContact CE2-CG2 4.08Å; E590-I607 HydrophobicContact CB-CG2 3.78Å; E590-I607 WeakPolarHBondContact O-CD1 3.19Å; L591-I607 HydrophobicContact CD2-CD1 4.14Å; L591-I607 HydrophobicContact CD2-CG2 4.3Å; L591-I607 HydrophobicContact CG-CG2 4.48Å; R594-I607 HydrophobicContact CB-CD1 3.91Å; R594-I607 HydrophobicContact CG-CD1 4.13Å; I604-I607 WeakPolarHBondContact O-CB 3.4Å; I604-I607 PolarHBondContact O-N 2.77Å; I607-C609 VanDerWaalsContact C-N 3.32Å; I607-C609 PolarHBondContact O-N 3.38Å; I607-K610 WeakPolarHBondContact O-CB 3.34Å; I607-K610 PolarHBondContact O-N 2.87Å; I607-H611 PolarHBondContact O-CD2 3.26Å; I607-H611 VanDerWaalsContact O-CD2 3.25Å; I607-H611 PolarHBondContact O-N 3.29Å
608	V	97.4	Very high	94.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-37.2	-176	-170.8	0	0	0	0	111.8	F587 I604 A612 L680 A700 M704	F587-V608 HydrophobicContact CE2-CB 4.33Å; F587-V608 HydrophobicContact CE2-CG2 3.82Å; F587-V608 HydrophobicContact CZ-CG1 4.45Å; F587-V608 HydrophobicContact CZ-CG2 3.94Å; I604-V608 HydrophobicContact CD1-CG2 4.2Å; I604-V608 HydrophobicContact CG1-CG2 4.35Å; I604-V608 WeakPolarHBondContact O-CG2 3.29Å; I604-V608 PolarHBondContact O-N 2.92Å; V608-A612 VanDerWaalsContact O-CB 3.28Å; V608-A612 WeakPolarHBondContact O-CB 3.44Å; V608-A612 PolarHBondContact O-N 2.82Å; V608-A612 VanDerWaalsContact O-N 3.08Å; V608-L680 HydrophobicContact CB-CD2 4.2Å; V608-L680 HydrophobicContact CG1-CD1 3.74Å; V608-L680 HydrophobicContact CG1-CD2 4.06Å; V608-L680 HydrophobicContact CG1-CG 4.21Å; V608-L680 HydrophobicContact CG2-CD2 4.23Å; V608-A700 HydrophobicContact CB-CB 4.47Å; V608-M704 HydrophobicContact CG1-CE 3.29Å
609	C	96.8	Very high	95.1	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-44.9	174.7	-167.6	0	0	0	0	112	S605 D606 I607 A612 E613 K699 A700	S605-C609 WeakPolarHBondContact O-CB 3.46Å; S605-C609 PolarHBondContact O-N 3.27Å; D606-C609 PolarHBondContact O-N 3.06Å; I607-C609 VanDerWaalsContact C-N 3.32Å; I607-C609 PolarHBondContact O-N 3.38Å; C609-A612 PolarHBondContact O-N 2.76Å; C609-E613 WeakPolarHBondContact O-CB 3.05Å; C609-E613 WeakPolarHBondContact O-CG 3.41Å; C609-E613 PolarHBondContact O-N 2.69Å; C609-K699 PolarHBondContact SG-NZ 2.84Å; C609-A700 HydrophobicContact CB-CB 3.9Å
610	K	97.4	Very high	95.5	Very high	97 Å²	97	33.4 Å²	33.4	42%	0.422	18%	0.182	S	C	.	.	H	α-helix	trans	-57.1	-53.4	176.6	170.1	-173.4	165.4	-165.9	0	111.1	E590 D606 I607 A612 E613 S614	E590-K610 IonicContact OE1-NZ 3.09Å; E590-K610 PolarHBondContact OE1-NZ 2.67Å; E590-K610 IonicContact OE2-NZ 2.8Å; E590-K610 PolarHBondContact OE2-NZ 2.93Å; D606-K610 WeakPolarHBondContact O-CB 3.43Å; D606-K610 PolarHBondContact O-N 2.96Å; I607-K610 WeakPolarHBondContact O-CB 3.34Å; I607-K610 PolarHBondContact O-N 2.87Å; K610-A612 VanDerWaalsContact C-N 3.34Å; K610-A612 PolarHBondContact O-N 2.86Å; K610-E613 PolarHBondContact O-N 3.22Å; K610-S614 PolarHBondContact O-N 2.78Å; K610-S614 PolarHBondContact O-OG 2.89Å; K610-S614 VanDerWaalsContact O-OG 3.07Å
611	H	97.9	Very high	95.7	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-32	-177.6	-75.1	-89.2	0	0	0	113.1	K586 F587 E590 I607 E613 T615 F616	K586-H611 WeakPolarHBondContact CB-CE1 3.49Å; K586-H611 PolarHBondContact O-CE1 2.88Å; F587-H611 HydrophobicContact CB-CB 4.44Å; F587-H611 HydrophobicContact CD2-CB 3.91Å; F587-H611 AromaticContact CD2-CD2 3.84Å; F587-H611 AromaticContact CD2-CG 3.79Å; F587-H611 HydrophobicContact CG-CB 4.43Å; F587-H611 PolarHBondContact N-CE1 3.17Å; E590-H611 WeakPolarHBondContact CB-NE2 3.43Å; E590-H611 WeakPolarHBondContact CG-NE2 3.36Å; E590-H611 IonicContact OE1-CE1 3.38Å; E590-H611 PolarHBondContact OE1-CE1 3.4Å; E590-H611 IonicContact OE1-NE2 2.75Å; E590-H611 PolarHBondContact OE1-NE2 3.47Å; E590-H611 IonicContact OE2-CD2 2.73Å; E590-H611 IonicContact OE2-NE2 3.48Å; E590-H611 PolarHBondContact OE2-NE2 3.45Å; I607-H611 PolarHBondContact O-CD2 3.26Å; I607-H611 VanDerWaalsContact O-CD2 3.25Å; I607-H611 PolarHBondContact O-N 3.29Å; H611-E613 VanDerWaalsContact C-N 3.31Å; H611-E613 PolarHBondContact O-N 3.22Å; H611-T615 VanDerWaalsContact ND1-CB 3.29Å; H611-T615 WeakPolarHBondContact ND1-CB 3.09Å; H611-T615 WeakPolarHBondContact ND1-CG2 3.34Å; H611-T615 PolarHBondContact ND1-OG1 3.13Å; H611-T615 CarbonylContact O-C 3.56Å; H611-T615 WeakPolarHBondContact O-CA 3.46Å; H611-T615 WeakPolarHBondContact O-CB 3.14Å; H611-T615 PolarHBondContact O-N 2.79Å; H611-F616 HydrophobicContact CB-CD1 4.29Å; H611-F616 HydrophobicContact CB-CE1 3.9Å; H611-F616 HydrophobicContact CB-CE2 4.48Å; H611-F616 HydrophobicContact CB-CZ 4Å; H611-F616 WeakPolarHBondContact O-CG 3.46Å; H611-F616 PolarHBondContact O-N 2.72Å
612	A	97.2	Very high	95.9	Very high	8 Å²	8	36.7 Å²	36.7	7%	0.066	19%	0.193	C	C	.	.	H	α-helix	trans	-66.9	-28.7	170.8	0	0	0	0	0	113.8	V608 C609 K610 A703 M704 V707	V608-A612 VanDerWaalsContact O-CB 3.28Å; V608-A612 WeakPolarHBondContact O-CB 3.44Å; V608-A612 PolarHBondContact O-N 2.82Å; V608-A612 VanDerWaalsContact O-N 3.08Å; C609-A612 PolarHBondContact O-N 2.76Å; K610-A612 VanDerWaalsContact C-N 3.34Å; K610-A612 PolarHBondContact O-N 2.86Å; A612-A703 HydrophobicContact CB-CB 3.83Å; A612-M704 HydrophobicContact CB-CE 3.77Å; A612-M704 HydrophobicContact CB-SD 4.29Å; A612-V707 HydrophobicContact CB-CG2 4.17Å; A612-V707 VanDerWaalsContact O-CG2 3.28Å; A612-V707 WeakPolarHBondContact O-CG2 3.05Å
613	E	95.5	Very high	96.1	Very high	111 Å²	111	32 Å²	32	52%	0.519	17%	0.167	S	C	.	.	H	α-helix	trans	-89.1	-30.8	179.9	-73.2	176.5	170.3	0	0	113.2	C609 K610 H611 K699 A703	C609-E613 WeakPolarHBondContact O-CB 3.05Å; C609-E613 WeakPolarHBondContact O-CG 3.41Å; C609-E613 PolarHBondContact O-N 2.69Å; K610-E613 PolarHBondContact O-N 3.22Å; H611-E613 VanDerWaalsContact C-N 3.31Å; H611-E613 PolarHBondContact O-N 3.22Å; E613-K699 VanDerWaalsContact CD-NZ 3.3Å; E613-K699 VanDerWaalsContact OE1-CE 3.24Å; E613-K699 WeakPolarHBondContact OE1-CE 3.2Å; E613-K699 IonicContact OE1-NZ 2.73Å; E613-K699 PolarHBondContact OE1-NZ 2.94Å; E613-K699 IonicContact OE2-NZ 3.47Å; E613-K699 PolarHBondContact OE2-NZ 2.83Å; E613-A703 HydrophobicContact CG-CB 4.32Å
614	S	94.3	Very high	96.1	Very high	82 Å²	82	31.7 Å²	31.7	57%	0.573	17%	0.167	S	C	*	.	H	α-helix	trans	-124.3	-21.6	-174	67.4	0	0	0	0	117.4	K610	K610-S614 PolarHBondContact O-N 2.78Å; K610-S614 PolarHBondContact O-OG 2.89Å; K610-S614 VanDerWaalsContact O-OG 3.07Å
615	T	95.5	Very high	95.9	Very high	23 Å²	23	33 Å²	33	14%	0.141	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-25.9	-166.8	-45	0	0	0	0	113.3	A583 K586 H611 P618	A583-T615 HydrophobicContact CB-CG2 3.98Å; A583-T615 WeakPolarHBondContact CB-O 3.23Å; K586-T615 HydrophobicContact CB-CG2 4.45Å; H611-T615 VanDerWaalsContact ND1-CB 3.29Å; H611-T615 WeakPolarHBondContact ND1-CB 3.09Å; H611-T615 WeakPolarHBondContact ND1-CG2 3.34Å; H611-T615 PolarHBondContact ND1-OG1 3.13Å; H611-T615 CarbonylContact O-C 3.56Å; H611-T615 WeakPolarHBondContact O-CA 3.46Å; H611-T615 WeakPolarHBondContact O-CB 3.14Å; H611-T615 PolarHBondContact O-N 2.79Å; T615-P618 WeakPolarHBondContact O-CD 3.41Å
616	F	97.4	Very high	95.4	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	18%	0.184	C	C	.	.			trans	-92.2	3.9	-169.8	-70.8	-4.3	0	0	0	115.9	F587 H611 P618 Y619 I673 L676 M704 V707	F587-F616 HydrophobicContact CB-CE1 3.92Å; F587-F616 HydrophobicContact CB-CZ 4.07Å; F587-F616 HydrophobicContact CD1-CE1 4.3Å; F587-F616 AromaticContact CD1-CZ 3.66Å; F587-F616 HydrophobicContact CD1-CZ 3.66Å; F587-F616 HydrophobicContact CD2-CZ 4.19Å; F587-F616 HydrophobicContact CE1-CZ 4.09Å; F587-F616 HydrophobicContact CG-CE1 4.09Å; F587-F616 AromaticContact CG-CZ 3.71Å; F587-F616 HydrophobicContact CG-CZ 3.71Å; H611-F616 HydrophobicContact CB-CD1 4.29Å; H611-F616 HydrophobicContact CB-CE1 3.9Å; H611-F616 HydrophobicContact CB-CE2 4.48Å; H611-F616 HydrophobicContact CB-CZ 4Å; H611-F616 WeakPolarHBondContact O-CG 3.46Å; H611-F616 PolarHBondContact O-N 2.72Å; F616-P618 VanDerWaalsContact C-N 3.29Å; F616-Y619 HydrophobicContact CB-CD2 4.07Å; F616-Y619 HydrophobicContact CD1-CD2 4.14Å; F616-Y619 AromaticContact CD1-CE2 3.88Å; F616-Y619 HydrophobicContact CD1-CE2 3.88Å; F616-Y619 HydrophobicContact CE1-CE2 4.22Å; F616-Y619 HydrophobicContact CG-CD2 4.17Å; F616-Y619 HydrophobicContact CG-CE2 4.28Å; F616-Y619 WeakPolarHBondContact O-CB 3.43Å; F616-Y619 PolarHBondContact O-N 2.98Å; F616-I673 HydrophobicContact CD2-CD1 3.79Å; F616-I673 HydrophobicContact CE2-CD1 4.35Å; F616-I673 HydrophobicContact CG-CD1 4.47Å; F616-L676 HydrophobicContact CE2-CD1 3.78Å; F616-L676 HydrophobicContact CZ-CD1 4.29Å; F616-M704 HydrophobicContact CD2-CE 4.01Å; F616-M704 HydrophobicContact CD2-SD 3.88Å; F616-M704 HydrophobicContact CE2-CE 3.63Å; F616-M704 HydrophobicContact CE2-SD 3.92Å; F616-V707 HydrophobicContact CB-CG1 4.29Å
617	D	96	Very high	94.9	Very high	74 Å²	74	33.9 Å²	33.9	40%	0.396	18%	0.179	S	C	.	.	H	α-helix	trans	-56.9	-30.2	173.7	-75.9	-36.9	0	0	0	115.1	Y619 I620 K621 K710	D617-Y619 VanDerWaalsContact C-N 3.25Å; D617-Y619 PolarHBondContact O-N 2.83Å; D617-I620 HydrophobicContact CB-CD1 4.19Å; D617-I620 WeakPolarHBondContact O-CB 3.45Å; D617-I620 PolarHBondContact O-N 3.44Å; D617-I620 VanDerWaalsContact O-N 3.12Å; D617-I620 WeakPolarHBondContact OD1-CD1 3.26Å; D617-K621 PolarHBondContact O-N 3.26Å; D617-K710 IonicContact OD1-NZ 2.82Å; D617-K710 PolarHBondContact OD1-NZ 3Å; D617-K710 IonicContact OD2-NZ 3.75Å
618	P	97.4	Very high	94.3	Very high	33 Å²	33	36.3 Å²	36.3	21%	0.214	19%	0.188	C	C	.	.	H	α-helix	trans	-57.4	-31.1	170.3	-28.2	37.8	0	0	0	114.8	N576 D579 V580 T615 F616 I620 K621 Y622	N576-P618 PolarHBondContact ND2-O 3.06Å; D579-P618 HydrophobicContact CB-CB 3.85Å; D579-P618 HydrophobicContact CB-CG 4.22Å; V580-P618 HydrophobicContact CG2-CB 4.13Å; T615-P618 WeakPolarHBondContact O-CD 3.41Å; F616-P618 VanDerWaalsContact C-N 3.29Å; P618-I620 VanDerWaalsContact C-N 3.29Å; P618-I620 PolarHBondContact O-N 2.73Å; P618-K621 PolarHBondContact O-N 3.21Å; P618-Y622 PolarHBondContact O-N 3.17Å
619	Y	97.3	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-38.5	176.1	-77	-101.4	0	0	0	111.2	Y544 V580 A583 F616 D617 Y622 C623 P669 I673	Y544-Y619 WeakPolarHBondContact CE1-OH 3.24Å; Y544-Y619 WeakPolarHBondContact OH-CE1 3.31Å; Y544-Y619 PolarHBondContact OH-OH 3.46Å; V580-Y619 HydrophobicContact CG1-CD1 4.07Å; V580-Y619 HydrophobicContact CG1-CD2 4.33Å; V580-Y619 HydrophobicContact CG1-CE1 3.72Å; V580-Y619 HydrophobicContact CG1-CE2 3.98Å; V580-Y619 HydrophobicContact CG1-CG 4.36Å; A583-Y619 HydrophobicContact CB-CE2 4.11Å; F616-Y619 HydrophobicContact CB-CD2 4.07Å; F616-Y619 HydrophobicContact CD1-CD2 4.14Å; F616-Y619 AromaticContact CD1-CE2 3.88Å; F616-Y619 HydrophobicContact CD1-CE2 3.88Å; F616-Y619 HydrophobicContact CE1-CE2 4.22Å; F616-Y619 HydrophobicContact CG-CD2 4.17Å; F616-Y619 HydrophobicContact CG-CE2 4.28Å; F616-Y619 WeakPolarHBondContact O-CB 3.43Å; F616-Y619 PolarHBondContact O-N 2.98Å; D617-Y619 VanDerWaalsContact C-N 3.25Å; D617-Y619 PolarHBondContact O-N 2.83Å; Y619-Y622 PolarHBondContact O-N 3.21Å; Y619-C623 VanDerWaalsContact O-CB 3.26Å; Y619-C623 WeakPolarHBondContact O-CB 3.47Å; Y619-C623 PolarHBondContact O-N 3.5Å; Y619-C623 PolarHBondContact O-SG 3.1Å; Y619-P669 HydrophobicContact CD1-CB 4.04Å; Y619-P669 HydrophobicContact CE1-CB 4.11Å; Y619-I673 HydrophobicContact CD1-CB 4.08Å; Y619-I673 HydrophobicContact CD1-CD1 4.41Å; Y619-I673 HydrophobicContact CG-CD1 4.36Å
620	I	95.4	Very high	93.7	Very high	25 Å²	25	40.7 Å²	40.7	13%	0.128	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-47	-179	-52.4	160.6	0	0	0	109.9	D617 P618 Y622 S624 V707 K710	D617-I620 HydrophobicContact CB-CD1 4.19Å; D617-I620 WeakPolarHBondContact O-CB 3.45Å; D617-I620 PolarHBondContact O-N 3.44Å; D617-I620 VanDerWaalsContact O-N 3.12Å; D617-I620 WeakPolarHBondContact OD1-CD1 3.26Å; P618-I620 VanDerWaalsContact C-N 3.29Å; P618-I620 PolarHBondContact O-N 2.73Å; I620-Y622 VanDerWaalsContact C-N 3.31Å; I620-Y622 PolarHBondContact O-N 3.27Å; I620-S624 VanDerWaalsContact O-CB 3.28Å; I620-S624 WeakPolarHBondContact O-CB 3.22Å; I620-S624 PolarHBondContact O-N 2.98Å; I620-S624 PolarHBondContact O-OG 3.36Å; I620-V707 HydrophobicContact CG1-CG1 4.12Å; I620-K710 HydrophobicContact CD1-CB 3.8Å; I620-K710 HydrophobicContact CD1-CD 3.28Å; I620-K710 HydrophobicContact CD1-CG 4.24Å; I620-K710 HydrophobicContact CG1-CB 3.98Å; I620-K710 HydrophobicContact CG1-CD 4.32Å; I620-K710 HydrophobicContact CG2-CB 4.07Å
621	K	94.8	Very high	93.2	Very high	115 Å²	115	40.2 Å²	40.2	50%	0.5	20%	0.203	S	C	.	.	H	α-helix	trans	-60.6	-41.2	176.7	-175.3	-178.2	171.5	-172.5	0	111.2	N576 D617 P618 N625	N576-K621 HydrophobicContact CB-CD 4.14Å; N576-K621 WeakPolarHBondContact OD1-CG 3.3Å; D617-K621 PolarHBondContact O-N 3.26Å; P618-K621 PolarHBondContact O-N 3.21Å; K621-N625 PolarHBondContact O-N 2.92Å; K621-N625 PolarHBondContact O-ND2 2.96Å
622	Y	96.1	Very high	92.9	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-50.9	178.8	-175.5	-87.3	0	0	0	112	N576 I577 V580 P618 Y619 I620 S624 N625 E626 Q629 L666 P669	N576-Y622 VanDerWaalsContact OD1-CA 3.29Å; N576-Y622 WeakPolarHBondContact OD1-CA 3.49Å; N576-Y622 PolarHBondContact OD1-N 2.99Å; N576-Y622 VanDerWaalsContact OD1-N 3.08Å; I577-Y622 HydrophobicContact CB-CD2 4.21Å; I577-Y622 HydrophobicContact CB-CE2 3.79Å; I577-Y622 HydrophobicContact CD1-CD2 4.25Å; I577-Y622 HydrophobicContact CD1-CE2 3.76Å; I577-Y622 HydrophobicContact CG1-CE2 4.25Å; V580-Y622 HydrophobicContact CG2-CD2 4.45Å; V580-Y622 HydrophobicContact CG2-CG 4.17Å; P618-Y622 PolarHBondContact O-N 3.17Å; Y619-Y622 PolarHBondContact O-N 3.21Å; I620-Y622 VanDerWaalsContact C-N 3.31Å; I620-Y622 PolarHBondContact O-N 3.27Å; Y622-S624 VanDerWaalsContact C-N 3.29Å; Y622-S624 PolarHBondContact O-N 2.98Å; Y622-N625 CarbonylContact O-C 3.57Å; Y622-N625 WeakPolarHBondContact O-CA 3.34Å; Y622-N625 PolarHBondContact O-N 3.3Å; Y622-E626 PolarHBondContact O-N 2.69Å; Y622-Q629 VanDerWaalsContact CE2-NE2 3.27Å; Y622-Q629 VanDerWaalsContact CZ-NE2 3.31Å; Y622-Q629 VanDerWaalsContact CZ-OE1 3.24Å; Y622-Q629 PolarHBondContact O-NE2 3.27Å; Y622-Q629 PolarHBondContact OH-OE1 3.17Å; Y622-Q629 VanDerWaalsContact OH-OE1 3.12Å; Y622-L666 WeakPolarHBondContact CE1-O 3.36Å; Y622-L666 PolarHBondContact OH-O 3.18Å; Y622-P669 HydrophobicContact CD1-CB 3.7Å; Y622-P669 HydrophobicContact CD1-CG 3.8Å; Y622-P669 HydrophobicContact CE1-CB 3.88Å; Y622-P669 HydrophobicContact CE1-CG 3.55Å
623	C	94	Very high	92.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-36.4	178.1	-71.4	0	0	0	0	112.4	Y619 N625 E626 M670 C711	Y619-C623 VanDerWaalsContact O-CB 3.26Å; Y619-C623 WeakPolarHBondContact O-CB 3.47Å; Y619-C623 PolarHBondContact O-N 3.5Å; Y619-C623 PolarHBondContact O-SG 3.1Å; C623-N625 PolarHBondContact O-N 2.84Å; C623-E626 WeakPolarHBondContact O-CB 3.23Å; C623-E626 PolarHBondContact O-N 3.36Å; C623-M670 HydrophobicContact CB-CE 3.65Å; C623-M670 HydrophobicContact CB-SD 4.48Å; C623-C711 HydrophobicContact CB-CB 3.84Å
624	S	91.6	Very high	92.5	Very high	10 Å²	10	41 Å²	41	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-24.6	174.3	-57.6	0	0	0	0	112.9	I620 Y622 G714 M718	I620-S624 VanDerWaalsContact O-CB 3.28Å; I620-S624 WeakPolarHBondContact O-CB 3.22Å; I620-S624 PolarHBondContact O-N 2.98Å; I620-S624 PolarHBondContact O-OG 3.36Å; Y622-S624 VanDerWaalsContact C-N 3.29Å; Y622-S624 PolarHBondContact O-N 2.98Å; S624-G714 VanDerWaalsContact OG-CA 3.31Å; S624-G714 WeakPolarHBondContact OG-CA 3.43Å; S624-M718 VanDerWaalsContact O-CB 3.32Å; S624-M718 WeakPolarHBondContact O-CB 3.21Å; S624-M718 WeakPolarHBondContact O-CG 3.39Å
625	N	91.2	Very high	92.3	Very high	28 Å²	28	43.9 Å²	43.9	15%	0.15	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.2	179.3	-72.2	-51.9	0	0	0	113.8	S575 K621 Y622 C623 V627 Y628 Q629	S575-N625 PolarHBondContact OG-ND2 3.35Å; S575-N625 VanDerWaalsContact OG-ND2 3.1Å; K621-N625 PolarHBondContact O-N 2.92Å; K621-N625 PolarHBondContact O-ND2 2.96Å; Y622-N625 CarbonylContact O-C 3.57Å; Y622-N625 WeakPolarHBondContact O-CA 3.34Å; Y622-N625 PolarHBondContact O-N 3.3Å; C623-N625 PolarHBondContact O-N 2.84Å; N625-V627 PolarHBondContact O-N 2.79Å; N625-V627 VanDerWaalsContact O-N 3.12Å; N625-Y628 PolarHBondContact O-N 3.12Å; N625-Q629 WeakPolarHBondContact O-CG 3.39Å; N625-Q629 PolarHBondContact O-N 3.2Å
626	E	88.1	Confident	92.1	Very high	44 Å²	44	43.2 Å²	43.2	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-53.9	-37.5	-175.8	-171.3	-174.1	136.9	0	0	112.5	Y622 C623 Y628 Q629 Q630 I667 M670	Y622-E626 PolarHBondContact O-N 2.69Å; C623-E626 WeakPolarHBondContact O-CB 3.23Å; C623-E626 PolarHBondContact O-N 3.36Å; E626-Y628 PolarHBondContact O-N 2.75Å; E626-Q629 WeakPolarHBondContact O-CB 3.46Å; E626-Q629 PolarHBondContact O-N 3.43Å; E626-Q630 WeakPolarHBondContact O-CB 3.39Å; E626-Q630 PolarHBondContact O-N 3.03Å; E626-I667 HydrophobicContact CG-CD1 4.48Å; E626-I667 WeakPolarHBondContact OE1-CD1 3.47Å; E626-M670 WeakPolarHBondContact OE2-CB 3.39Å; E626-M670 VanDerWaalsContact OE2-CE 3.27Å; E626-M670 WeakPolarHBondContact OE2-CE 2.93Å; E626-M670 WeakPolarHBondContact OE2-CG 3.2Å
627	V	84.1	Confident	91.7	Very high	43 Å²	43	46 Å²	46	26%	0.261	22%	0.217	S	C	.	.	H	α-helix	trans	-64.7	-40.4	178.3	-163.3	0	0	0	0	111.5	N625 R631	N625-V627 PolarHBondContact O-N 2.79Å; N625-V627 VanDerWaalsContact O-N 3.12Å; V627-R631 WeakPolarHBondContact O-CG 3.41Å; V627-R631 PolarHBondContact O-N 3.34Å
628	Y	85.1	Confident	91.2	Very high	54 Å²	54	44 Å²	44	21%	0.212	21%	0.213	C	C	.	.	H	α-helix	trans	-68.9	-40.6	174.7	-67.5	-52.1	0	0	0	112	N625 E626 Q630 R631 T632 M718 E722	N625-Y628 PolarHBondContact O-N 3.12Å; E626-Y628 PolarHBondContact O-N 2.75Å; Y628-Q630 VanDerWaalsContact C-N 3.33Å; Y628-Q630 PolarHBondContact O-N 2.77Å; Y628-R631 PolarHBondContact O-N 2.85Å; Y628-T632 WeakPolarHBondContact O-CB 3.38Å; Y628-T632 PolarHBondContact O-N 3.35Å; Y628-T632 PolarHBondContact O-OG1 3.23Å; Y628-M718 HydrophobicContact CD2-CG 4.11Å; Y628-M718 HydrophobicContact CE2-CG 3.4Å; Y628-M718 HydrophobicContact CE2-SD 3.67Å; Y628-E722 HydrophobicContact CE1-CG 4.26Å
629	Q	92.1	Very high	89.7	Confident	4 Å²	4	48 Å²	48	2%	0.019	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-49.3	174.8	-60.2	163.4	15.3	0	0	110	H572 L573 Y622 N625 E626 T632 L633	H572-Q629 WeakPolarHBondContact O-CA 3.32Å; H572-Q629 WeakPolarHBondContact O-CG 3.37Å; L573-Q629 WeakPolarHBondContact O-CG 3.27Å; Y622-Q629 VanDerWaalsContact CE2-NE2 3.27Å; Y622-Q629 VanDerWaalsContact CZ-NE2 3.31Å; Y622-Q629 VanDerWaalsContact CZ-OE1 3.24Å; Y622-Q629 PolarHBondContact O-NE2 3.27Å; Y622-Q629 PolarHBondContact OH-OE1 3.17Å; Y622-Q629 VanDerWaalsContact OH-OE1 3.12Å; N625-Q629 WeakPolarHBondContact O-CG 3.39Å; N625-Q629 PolarHBondContact O-N 3.2Å; E626-Q629 WeakPolarHBondContact O-CB 3.46Å; E626-Q629 PolarHBondContact O-N 3.43Å; Q629-T632 PolarHBondContact O-N 3.42Å; Q629-L633 WeakPolarHBondContact O-CB 3.28Å; Q629-L633 PolarHBondContact O-N 3.13Å
630	Q	89.4	Confident	88.6	Confident	97 Å²	97	58.1 Å²	58.1	45%	0.453	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-46.8	-179.4	-176	172.1	108.3	0	0	112.7	E626 Y628 L633 Q634	E626-Q630 WeakPolarHBondContact O-CB 3.39Å; E626-Q630 PolarHBondContact O-N 3.03Å; Y628-Q630 VanDerWaalsContact C-N 3.33Å; Y628-Q630 PolarHBondContact O-N 2.77Å; Q630-L633 PolarHBondContact O-N 2.98Å; Q630-Q634 WeakPolarHBondContact O-CB 3.26Å; Q630-Q634 VanDerWaalsContact O-CG 3.28Å; Q630-Q634 WeakPolarHBondContact O-CG 3.28Å; Q630-Q634 PolarHBondContact O-N 3.33Å
631	R	87.4	Confident	88	Confident	87 Å²	87	58.8 Å²	58.8	33%	0.328	30%	0.297	S	S	.	.	H	α-helix	trans	-69.8	-33.5	178.4	-67.1	-152.4	-148.7	89.3	-10.9	112.8	V627 Y628 Q634 R635 E722	V627-R631 WeakPolarHBondContact O-CG 3.41Å; V627-R631 PolarHBondContact O-N 3.34Å; Y628-R631 PolarHBondContact O-N 2.85Å; R631-Q634 PolarHBondContact O-N 3.32Å; R631-R635 WeakPolarHBondContact O-CB 3.39Å; R631-R635 PolarHBondContact O-N 2.91Å; R631-E722 IonicContact CZ-OE1 3.79Å; R631-E722 IonicContact CZ-OE2 3.52Å; R631-E722 IonicContact NH1-OE1 2.68Å; R631-E722 PolarHBondContact NH1-OE1 2.92Å; R631-E722 IonicContact NH1-OE2 3.61Å; R631-E722 PolarHBondContact NH1-OE2 2.89Å; R631-E722 IonicContact NH2-OE1 2.7Å; R631-E722 IonicContact NH2-OE2 2.82Å; R631-E722 PolarHBondContact NH2-OE2 2.6Å
632	T	91.6	Very high	87.7	Confident	1 Å²	1	58 Å²	58	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-67.3	-45.1	175.6	-58.2	0	0	0	0	110.2	D569 H572 L573 Y628 Q629 Q634 R635 L636	D569-T632 HydrophobicContact CB-CG2 3.76Å; H572-T632 HydrophobicContact CB-CG2 4.29Å; L573-T632 HydrophobicContact CB-CG2 4.42Å; Y628-T632 WeakPolarHBondContact O-CB 3.38Å; Y628-T632 PolarHBondContact O-N 3.35Å; Y628-T632 PolarHBondContact O-OG1 3.23Å; Q629-T632 PolarHBondContact O-N 3.42Å; T632-Q634 PolarHBondContact O-N 2.91Å; T632-R635 WeakPolarHBondContact O-CB 3.39Å; T632-R635 PolarHBondContact O-N 3.12Å; T632-L636 HydrophobicContact CG2-CD1 4.02Å; T632-L636 HydrophobicContact CG2-CG 4.43Å; T632-L636 WeakPolarHBondContact O-CG 3.48Å; T632-L636 PolarHBondContact O-N 3.33Å
633	L	92.9	Very high	87.5	Confident	17 Å²	17	60.2 Å²	60.2	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-45.3	173.7	-175.6	55.7	0	0	0	112.3	L573 Q629 Q630 R635 L636 V637 F644 L648 M662 L666	L573-L633 HydrophobicContact CD1-CB 3.84Å; L573-L633 HydrophobicContact CD1-CD1 4.3Å; Q629-L633 WeakPolarHBondContact O-CB 3.28Å; Q629-L633 PolarHBondContact O-N 3.13Å; Q630-L633 PolarHBondContact O-N 2.98Å; L633-R635 VanDerWaalsContact C-N 3.3Å; L633-R635 PolarHBondContact O-N 3.41Å; L633-L636 PolarHBondContact O-N 2.95Å; L633-V637 HydrophobicContact CD1-CG2 3.75Å; L633-V637 HydrophobicContact CG-CG2 4.24Å; L633-V637 WeakPolarHBondContact O-CB 3.36Å; L633-V637 VanDerWaalsContact O-CG2 3.31Å; L633-V637 WeakPolarHBondContact O-CG2 3.5Å; L633-V637 PolarHBondContact O-N 2.71Å; L633-F644 HydrophobicContact CD1-CE1 4.06Å; L633-F644 HydrophobicContact CD1-CZ 3.93Å; L633-L648 HydrophobicContact CD1-CD2 4.32Å; L633-M662 HydrophobicContact CD1-CE 3.35Å; L633-M662 HydrophobicContact CD2-CE 4.28Å; L633-M662 HydrophobicContact CG-CE 4.44Å; L633-L666 HydrophobicContact CD2-CD1 4.01Å
634	Q	91.1	Very high	87.5	Confident	122 Å²	122	60.2 Å²	60.2	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-61.4	-36.9	176.1	-73.4	170.5	6.5	0	0	112.6	Q630 R631 T632 G638	Q630-Q634 WeakPolarHBondContact O-CB 3.26Å; Q630-Q634 VanDerWaalsContact O-CG 3.28Å; Q630-Q634 WeakPolarHBondContact O-CG 3.28Å; Q630-Q634 PolarHBondContact O-N 3.33Å; R631-Q634 PolarHBondContact O-N 3.32Å; T632-Q634 PolarHBondContact O-N 2.91Å; Q634-G638 PolarHBondContact O-N 2.93Å; Q634-G638 VanDerWaalsContact O-N 3.12Å
635	R	90.6	Very high	87.5	Confident	142 Å²	142	65.2 Å²	65.2	54%	0.536	35%	0.345	S	S	.	.	H	α-helix	trans	-66.4	-43.1	175.7	-167.5	-163.7	-54.1	135.7	5.8	111.9	D569 R631 T632 L633 G638	D569-R635 IonicContact OD1-CZ 2.76Å; D569-R635 IonicContact OD1-NH1 3.29Å; D569-R635 PolarHBondContact OD1-NH1 3.45Å; R631-R635 WeakPolarHBondContact O-CB 3.39Å; R631-R635 PolarHBondContact O-N 2.91Å; T632-R635 WeakPolarHBondContact O-CB 3.39Å; T632-R635 PolarHBondContact O-N 3.12Å; L633-R635 VanDerWaalsContact C-N 3.3Å; L633-R635 PolarHBondContact O-N 3.41Å; R635-G638 PolarHBondContact O-N 2.84Å
636	L	91	Very high	87.6	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.052	37%	0.369	C	S	.	.	H	α-helix	trans	-74.4	-36.6	-179.1	-67.5	172.6	0	0	0	113.1	M565 D569 L573 T632 L633 G638 F644	M565-L636 HydrophobicContact CB-CD1 4.16Å; M565-L636 HydrophobicContact CB-CD2 3.91Å; M565-L636 HydrophobicContact SD-CD1 4.02Å; D569-L636 HydrophobicContact CB-CD1 4.23Å; D569-L636 HydrophobicContact CB-CD2 4.41Å; L573-L636 HydrophobicContact CD2-CD1 4.33Å; T632-L636 HydrophobicContact CG2-CD1 4.02Å; T632-L636 HydrophobicContact CG2-CG 4.43Å; T632-L636 WeakPolarHBondContact O-CG 3.48Å; T632-L636 PolarHBondContact O-N 3.33Å; L633-L636 PolarHBondContact O-N 2.95Å; L636-G638 VanDerWaalsContact C-N 3.26Å; L636-F644 HydrophobicContact CB-CD1 3.57Å; L636-F644 HydrophobicContact CB-CD2 4.3Å; L636-F644 HydrophobicContact CB-CE1 3.49Å; L636-F644 VanDerWaalsContact CB-CE1 3.49Å; L636-F644 HydrophobicContact CB-CE2 4.24Å; L636-F644 HydrophobicContact CB-CG 3.98Å; L636-F644 HydrophobicContact CB-CZ 3.85Å; L636-F644 HydrophobicContact CD1-CD2 4.23Å; L636-F644 HydrophobicContact CD1-CE1 4.43Å; L636-F644 HydrophobicContact CD1-CE2 3.8Å; L636-F644 HydrophobicContact CD1-CZ 3.91Å; L636-F644 WeakPolarHBondContact O-CD1 3.34Å
637	V	89.2	Confident	87.9	Confident	60 Å²	60	69.3 Å²	69.3	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-74.9	-17.9	174	176.3	0	0	0	0	112.1	L633 F644 L648	L633-V637 HydrophobicContact CD1-CG2 3.75Å; L633-V637 HydrophobicContact CG-CG2 4.24Å; L633-V637 WeakPolarHBondContact O-CB 3.36Å; L633-V637 VanDerWaalsContact O-CG2 3.31Å; L633-V637 WeakPolarHBondContact O-CG2 3.5Å; L633-V637 PolarHBondContact O-N 2.71Å; V637-F644 HydrophobicContact CG2-CD1 4.48Å; V637-F644 HydrophobicContact CG2-CE1 3.83Å; V637-L648 HydrophobicContact CG2-CD2 3.83Å
638	G	84.9	Confident	88.4	Confident	30 Å²	30	67.6 Å²	67.6	31%	0.309	35%	0.354	S	S	.	.	S	Bend	trans	-60.5	156.8	175.5	0	0	0	0	0	113	Q634 R635 L636 K640 N641	Q634-G638 PolarHBondContact O-N 2.93Å; Q634-G638 VanDerWaalsContact O-N 3.12Å; R635-G638 PolarHBondContact O-N 2.84Å; L636-G638 VanDerWaalsContact C-N 3.26Å; G638-K640 PolarHBondContact O-N 2.71Å; G638-N641 PolarHBondContact O-N 2.86Å
639	A	65.8	Low	88.8	Confident	119 Å²	119	69 Å²	69	98%	0.983	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	5.9	-170.1	0	0	0	0	0	116.8
640	K	74.1	Confident	88.9	Confident	211 Å²	211	74.7 Å²	74.7	92%	0.917	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.2	175.8	-65.8	-171.5	176.1	-174.4	0	114	G638	G638-K640 PolarHBondContact O-N 2.71Å
641	N	83.9	Confident	89.1	Confident	40 Å²	40	70.8 Å²	70.8	21%	0.214	37%	0.371	C	S	.	.			trans	-136.1	83.9	-179.6	-169.5	-11.9	0	0	0	111.6	A564 G638 F644 K645	A564-N641 PolarHBondContact O-ND2 3.41Å; G638-N641 PolarHBondContact O-N 2.86Å; N641-F644 HydrophobicContact CB-CB 4.32Å; N641-F644 VanDerWaalsContact CG-CB 3.42Å; N641-F644 WeakPolarHBondContact ND2-CB 3.14Å; N641-F644 WeakPolarHBondContact OD1-CB 3.22Å; N641-F644 PolarHBondContact OD1-N 3.49Å; N641-K645 PolarHBondContact O-N 2.81Å
642	S	88.5	Confident	89.3	Confident	98 Å²	98	68.6 Å²	68.6	69%	0.685	37%	0.365	S	S	*	.	H	α-helix	trans	-64.2	-42.4	176.7	45.8	0	0	0	0	112.6	F644 K645 E646	S642-F644 PolarHBondContact O-N 3.26Å; S642-K645 WeakPolarHBondContact O-CB 3.29Å; S642-K645 PolarHBondContact O-N 3.43Å; S642-K645 VanDerWaalsContact O-N 3.14Å; S642-E646 PolarHBondContact O-N 2.96Å
643	A	90.9	Very high	89.3	Confident	48 Å²	48	70.4 Å²	70.4	40%	0.397	38%	0.384	S	S	.	.	H	α-helix	trans	-59.5	-47.7	-177.9	0	0	0	0	0	112.1	K645 E646 V647	A643-K645 VanDerWaalsContact C-N 3.32Å; A643-K645 PolarHBondContact O-N 2.84Å; A643-E646 PolarHBondContact O-N 2.81Å; A643-V647 WeakPolarHBondContact O-CG2 3.29Å; A643-V647 PolarHBondContact O-N 3.29Å
644	F	93.9	Very high	89.2	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-59.6	-43.6	174.9	174.1	-90.1	0	0	0	111.7	L561 A564 M565 L633 L636 V637 N641 S642 E646 L648 M662	L561-F644 HydrophobicContact CD1-CD2 3.69Å; L561-F644 HydrophobicContact CD1-CE2 3.52Å; L561-F644 HydrophobicContact CD1-CZ 4.25Å; L561-F644 HydrophobicContact CG-CD2 4.33Å; L561-F644 HydrophobicContact CG-CE2 3.97Å; A564-F644 HydrophobicContact CB-CB 3.93Å; A564-F644 HydrophobicContact CB-CD2 4.46Å; M565-F644 HydrophobicContact CE-CD2 4.18Å; M565-F644 HydrophobicContact CE-CE2 3.69Å; L633-F644 HydrophobicContact CD1-CE1 4.06Å; L633-F644 HydrophobicContact CD1-CZ 3.93Å; L636-F644 HydrophobicContact CB-CD1 3.57Å; L636-F644 HydrophobicContact CB-CD2 4.3Å; L636-F644 HydrophobicContact CB-CE1 3.49Å; L636-F644 VanDerWaalsContact CB-CE1 3.49Å; L636-F644 HydrophobicContact CB-CE2 4.24Å; L636-F644 HydrophobicContact CB-CG 3.98Å; L636-F644 HydrophobicContact CB-CZ 3.85Å; L636-F644 HydrophobicContact CD1-CD2 4.23Å; L636-F644 HydrophobicContact CD1-CE1 4.43Å; L636-F644 HydrophobicContact CD1-CE2 3.8Å; L636-F644 HydrophobicContact CD1-CZ 3.91Å; L636-F644 WeakPolarHBondContact O-CD1 3.34Å; V637-F644 HydrophobicContact CG2-CD1 4.48Å; V637-F644 HydrophobicContact CG2-CE1 3.83Å; N641-F644 HydrophobicContact CB-CB 4.32Å; N641-F644 VanDerWaalsContact CG-CB 3.42Å; N641-F644 WeakPolarHBondContact ND2-CB 3.14Å; N641-F644 WeakPolarHBondContact OD1-CB 3.22Å; N641-F644 PolarHBondContact OD1-N 3.49Å; S642-F644 PolarHBondContact O-N 3.26Å; F644-E646 VanDerWaalsContact C-N 3.34Å; F644-E646 PolarHBondContact O-N 3.33Å; F644-L648 HydrophobicContact CE1-CB 4.39Å; F644-L648 HydrophobicContact CE1-CD2 3.73Å; F644-L648 HydrophobicContact CZ-CD2 4.15Å; F644-L648 WeakPolarHBondContact O-CB 3.47Å; F644-L648 PolarHBondContact O-N 3.44Å; F644-M662 HydrophobicContact CZ-CE 4.08Å
645	K	92.3	Very high	89.1	Confident	114 Å²	114	71.6 Å²	71.6	50%	0.496	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-39.8	179.1	-174.1	-173.1	173.3	-167.9	0	111.9	N641 S642 A643 T649	N641-K645 PolarHBondContact O-N 2.81Å; S642-K645 WeakPolarHBondContact O-CB 3.29Å; S642-K645 PolarHBondContact O-N 3.43Å; S642-K645 VanDerWaalsContact O-N 3.14Å; A643-K645 VanDerWaalsContact C-N 3.32Å; A643-K645 PolarHBondContact O-N 2.84Å; K645-T649 WeakPolarHBondContact O-CB 3.4Å; K645-T649 PolarHBondContact O-N 2.98Å; K645-T649 PolarHBondContact O-OG1 3.08Å
646	E	93	Very high	88.8	Confident	141 Å²	141	67.3 Å²	67.3	66%	0.659	39%	0.385	S	S	*	.	H	α-helix	trans	-66.5	-51.7	178.8	-174.6	177.3	167.7	0	0	111.7	S642 A643 F644 L648 T649 R650	S642-E646 PolarHBondContact O-N 2.96Å; A643-E646 PolarHBondContact O-N 2.81Å; F644-E646 VanDerWaalsContact C-N 3.34Å; F644-E646 PolarHBondContact O-N 3.33Å; E646-L648 VanDerWaalsContact C-N 3.33Å; E646-L648 PolarHBondContact O-N 3.34Å; E646-T649 PolarHBondContact O-N 3.41Å; E646-R650 PolarHBondContact O-N 2.84Å
647	V	94.4	Very high	88.4	Confident	17 Å²	17	66.8 Å²	66.8	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-58.4	-46.3	175.2	177.6	0	0	0	0	110.5	E560 L561 A643 T649 R650 L651	E560-V647 HydrophobicContact CB-CG1 3.79Å; E560-V647 HydrophobicContact CB-CG2 4.29Å; L561-V647 HydrophobicContact CB-CG1 4.05Å; L561-V647 HydrophobicContact CD1-CB 4.31Å; L561-V647 HydrophobicContact CD1-CG1 3.94Å; A643-V647 WeakPolarHBondContact O-CG2 3.29Å; A643-V647 PolarHBondContact O-N 3.29Å; V647-T649 PolarHBondContact O-N 3.45Å; V647-R650 PolarHBondContact O-N 3.16Å; V647-L651 HydrophobicContact CG1-CD1 3.85Å; V647-L651 HydrophobicContact CG1-CG 4.32Å; V647-L651 WeakPolarHBondContact O-CG 3.27Å; V647-L651 PolarHBondContact O-N 2.84Å
648	L	94.5	Very high	88	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.042	38%	0.377	C	S	.	.	H	α-helix	trans	-58.4	-46.2	176.7	179.6	62.7	0	0	0	111.8	F555 L561 L633 V637 F644 E646 R650 L651 E652 M662	F555-L648 HydrophobicContact CD1-CD1 4.08Å; F555-L648 HydrophobicContact CE1-CD1 3.91Å; L561-L648 HydrophobicContact CD1-CB 4.19Å; L633-L648 HydrophobicContact CD1-CD2 4.32Å; V637-L648 HydrophobicContact CG2-CD2 3.83Å; F644-L648 HydrophobicContact CE1-CB 4.39Å; F644-L648 HydrophobicContact CE1-CD2 3.73Å; F644-L648 HydrophobicContact CZ-CD2 4.15Å; F644-L648 WeakPolarHBondContact O-CB 3.47Å; F644-L648 PolarHBondContact O-N 3.44Å; E646-L648 VanDerWaalsContact C-N 3.33Å; E646-L648 PolarHBondContact O-N 3.34Å; L648-R650 VanDerWaalsContact C-N 3.31Å; L648-R650 PolarHBondContact O-N 2.86Å; L648-L651 PolarHBondContact O-N 3.1Å; L648-E652 HydrophobicContact CD1-CG 3.94Å; L648-E652 WeakPolarHBondContact CD1-OE1 3.37Å; L648-E652 HydrophobicContact CG-CG 4.23Å; L648-E652 WeakPolarHBondContact O-CB 3.14Å; L648-E652 VanDerWaalsContact O-CG 3.29Å; L648-E652 WeakPolarHBondContact O-CG 3.29Å; L648-E652 PolarHBondContact O-N 2.97Å; L648-M662 HydrophobicContact CD1-CB 3.76Å; L648-M662 HydrophobicContact CD1-CE 3.77Å; L648-M662 HydrophobicContact CD1-SD 4.08Å; L648-M662 HydrophobicContact CD2-CE 4.4Å
649	T	93	Very high	87.9	Confident	82 Å²	82	71.5 Å²	71.5	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-61.6	-40.5	-179.7	-55.7	0	0	0	0	111.3	K645 E646 V647 G653	K645-T649 WeakPolarHBondContact O-CB 3.4Å; K645-T649 PolarHBondContact O-N 2.98Å; K645-T649 PolarHBondContact O-OG1 3.08Å; E646-T649 PolarHBondContact O-N 3.41Å; V647-T649 PolarHBondContact O-N 3.45Å; T649-G653 PolarHBondContact O-N 2.85Å; T649-G653 VanDerWaalsContact O-N 3.08Å
650	R	93.8	Very high	88.9	Confident	124 Å²	124	66.2 Å²	66.2	47%	0.468	35%	0.349	S	S	.	.	H	α-helix	trans	-66.4	-40.5	175.1	174.3	167.8	49.1	90.8	-1.5	112.6	E560 E646 V647 L648 G653 H654	E560-R650 VanDerWaalsContact CD-NH2 3.31Å; E560-R650 IonicContact OE1-CZ 3.56Å; E560-R650 IonicContact OE1-NH1 2.69Å; E560-R650 PolarHBondContact OE1-NH1 3.46Å; E560-R650 IonicContact OE1-NH2 3.52Å; E560-R650 PolarHBondContact OE1-NH2 2.83Å; E560-R650 IonicContact OE2-CZ 3.77Å; E560-R650 IonicContact OE2-NH1 3.56Å; E560-R650 PolarHBondContact OE2-NH1 3.07Å; E560-R650 IonicContact OE2-NH2 2.66Å; E560-R650 PolarHBondContact OE2-NH2 3Å; E646-R650 PolarHBondContact O-N 2.84Å; V647-R650 PolarHBondContact O-N 3.16Å; L648-R650 VanDerWaalsContact C-N 3.31Å; L648-R650 PolarHBondContact O-N 2.86Å; R650-G653 PolarHBondContact O-N 2.85Å; R650-H654 PolarHBondContact O-N 2.99Å
651	L	93.6	Very high	89.7	Confident	15 Å²	15	58.6 Å²	58.6	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-68.8	-39.8	176.8	-68.8	172.4	0	0	0	112.2	M554 F555 L561 V647 L648 G653 H654 C657	M554-L651 HydrophobicContact CE-CD2 4.24Å; F555-L651 HydrophobicContact CD1-CB 4.19Å; F555-L651 HydrophobicContact CD1-CD1 4.32Å; F555-L651 HydrophobicContact CE1-CB 3.82Å; L561-L651 HydrophobicContact CB-CD1 4Å; L561-L651 HydrophobicContact CD1-CD1 4.2Å; L561-L651 HydrophobicContact CD2-CD1 4.06Å; L561-L651 HydrophobicContact CG-CD1 4.31Å; V647-L651 HydrophobicContact CG1-CD1 3.85Å; V647-L651 HydrophobicContact CG1-CG 4.32Å; V647-L651 WeakPolarHBondContact O-CG 3.27Å; V647-L651 PolarHBondContact O-N 2.84Å; L648-L651 PolarHBondContact O-N 3.1Å; L651-G653 VanDerWaalsContact C-N 3.29Å; L651-G653 PolarHBondContact O-N 3.49Å; L651-H654 VanDerWaalsContact O-CB 3.23Å; L651-H654 WeakPolarHBondContact O-CB 3.43Å; L651-H654 PolarHBondContact O-N 2.77Å; L651-C657 WeakPolarHBondContact O-CB 3.44Å; L651-C657 PolarHBondContact O-SG 2.93Å
652	E	93.2	Very high	90.1	Very high	42 Å²	42	56.7 Å²	56.7	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-33.3	175.1	-70.1	-179	166	0	0	111.8	F555 L648 H654 C657 N659 P661 M662	F555-E652 HydrophobicContact CE1-CG 4.01Å; F555-E652 HydrophobicContact CZ-CG 4.22Å; L648-E652 HydrophobicContact CD1-CG 3.94Å; L648-E652 WeakPolarHBondContact CD1-OE1 3.37Å; L648-E652 HydrophobicContact CG-CG 4.23Å; L648-E652 WeakPolarHBondContact O-CB 3.14Å; L648-E652 VanDerWaalsContact O-CG 3.29Å; L648-E652 WeakPolarHBondContact O-CG 3.29Å; L648-E652 PolarHBondContact O-N 2.97Å; E652-H654 VanDerWaalsContact C-N 3.29Å; E652-H654 PolarHBondContact O-N 3.18Å; E652-C657 WeakPolarHBondContact O-CB 3.48Å; E652-N659 VanDerWaalsContact O-CA 3.29Å; E652-N659 WeakPolarHBondContact O-CA 3.29Å; E652-N659 PolarHBondContact O-N 3.23Å; E652-P661 WeakPolarHBondContact OE1-CA 3.44Å; E652-P661 WeakPolarHBondContact OE1-CB 3.04Å; E652-M662 PolarHBondContact OE1-N 3.21Å
653	G	90.8	Very high	90.3	Very high	39 Å²	39	55.1 Å²	55.1	40%	0.402	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.4	173.9	0	0	0	0	0	115.8	T649 R650 L651	T649-G653 PolarHBondContact O-N 2.85Å; T649-G653 VanDerWaalsContact O-N 3.08Å; R650-G653 PolarHBondContact O-N 2.85Å; L651-G653 VanDerWaalsContact C-N 3.29Å; L651-G653 PolarHBondContact O-N 3.49Å
654	H	91.8	Very high	90.3	Very high	67 Å²	67	53.3 Å²	53.3	31%	0.31	28%	0.284	S	S	.	.	S	Bend	trans	-64.5	142.3	178.3	-166.8	-93.6	0	0	0	111.3	M554 R650 L651 E652 D656 C657 R658	M554-H654 HydrophobicContact CE-CB 3.86Å; M554-H654 VanDerWaalsContact CE-CG 3.41Å; M554-H654 WeakPolarHBondContact CE-ND1 3.36Å; R650-H654 PolarHBondContact O-N 2.99Å; L651-H654 VanDerWaalsContact O-CB 3.23Å; L651-H654 WeakPolarHBondContact O-CB 3.43Å; L651-H654 PolarHBondContact O-N 2.77Å; E652-H654 VanDerWaalsContact C-N 3.29Å; E652-H654 PolarHBondContact O-N 3.18Å; H654-D656 VanDerWaalsContact C-N 3.3Å; H654-D656 IonicContact CE1-OD1 3.91Å; H654-D656 PolarHBondContact CE1-OD1 3.3Å; H654-D656 VanDerWaalsContact CE1-OD1 3.23Å; H654-D656 IonicContact CE1-OD2 3.54Å; H654-D656 VanDerWaalsContact ND1-CG 3.35Å; H654-D656 PolarHBondContact ND1-N 3.44Å; H654-D656 IonicContact ND1-OD1 3.41Å; H654-D656 PolarHBondContact ND1-OD1 2.66Å; H654-D656 IonicContact ND1-OD2 3.37Å; H654-D656 PolarHBondContact O-N 2.97Å; H654-C657 HydrophobicContact CB-CB 4.38Å; H654-C657 WeakPolarHBondContact O-CA 3.39Å; H654-C657 WeakPolarHBondContact O-CB 3.31Å; H654-C657 PolarHBondContact O-N 3.16Å; H654-R658 PolarHBondContact O-N 3.39Å; H654-R658 VanDerWaalsContact O-N 3.12Å
655	P	88.4	Confident	90.3	Very high	97 Å²	97	53.5 Å²	53.5	63%	0.63	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-52.8	-43.4	-178.4	17.4	-32.3	0	0	0	113.6	C657 R658	P655-C657 VanDerWaalsContact C-N 3.27Å; P655-C657 PolarHBondContact O-N 3.23Å; P655-R658 WeakPolarHBondContact O-CA 3.45Å; P655-R658 WeakPolarHBondContact O-CG 3.15Å; P655-R658 PolarHBondContact O-N 3.43Å
656	D	84.3	Confident	90.4	Very high	51 Å²	51	48.5 Å²	48.5	27%	0.273	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.3	-36.3	176.6	-53.8	16.3	0	0	0	112.7	R553 H654 R658	R553-D656 IonicContact CZ-OD2 3.68Å; R553-D656 IonicContact NH1-OD2 2.67Å; R553-D656 PolarHBondContact NH1-OD2 2.72Å; R553-D656 IonicContact NH2-OD2 3.41Å; R553-D656 PolarHBondContact NH2-OD2 3.08Å; H654-D656 VanDerWaalsContact C-N 3.3Å; H654-D656 IonicContact CE1-OD1 3.91Å; H654-D656 PolarHBondContact CE1-OD1 3.3Å; H654-D656 VanDerWaalsContact CE1-OD1 3.23Å; H654-D656 IonicContact CE1-OD2 3.54Å; H654-D656 VanDerWaalsContact ND1-CG 3.35Å; H654-D656 PolarHBondContact ND1-N 3.44Å; H654-D656 IonicContact ND1-OD1 3.41Å; H654-D656 PolarHBondContact ND1-OD1 2.66Å; H654-D656 IonicContact ND1-OD2 3.37Å; H654-D656 PolarHBondContact O-N 2.97Å; D656-R658 VanDerWaalsContact C-N 3.27Å
657	C	82.9	Confident	90.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-77.5	-14.5	176.5	-62.7	0	0	0	0	112.2	F555 L651 E652 H654 P655 N659 L660	F555-C657 HydrophobicContact CZ-CB 4.47Å; L651-C657 WeakPolarHBondContact O-CB 3.44Å; L651-C657 PolarHBondContact O-SG 2.93Å; E652-C657 WeakPolarHBondContact O-CB 3.48Å; H654-C657 HydrophobicContact CB-CB 4.38Å; H654-C657 WeakPolarHBondContact O-CA 3.39Å; H654-C657 WeakPolarHBondContact O-CB 3.31Å; H654-C657 PolarHBondContact O-N 3.16Å; P655-C657 VanDerWaalsContact C-N 3.27Å; P655-C657 PolarHBondContact O-N 3.23Å; C657-N659 PolarHBondContact O-N 3.28Å; C657-N659 VanDerWaalsContact O-N 3.11Å; C657-L660 VanDerWaalsContact O-CB 3.24Å; C657-L660 WeakPolarHBondContact O-CB 3.46Å; C657-L660 PolarHBondContact O-N 2.93Å
658	R	80.1	Confident	90.3	Very high	67 Å²	67	42.8 Å²	42.8	25%	0.253	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	26.7	172.9	-56.7	172	-177.7	-162.4	-6.9	114.4	T382 H654 P655 D656 L660	T382-R658 PolarHBondContact O-NH1 2.96Å; T382-R658 PolarHBondContact O-NH2 3.48Å; T382-R658 PolarHBondContact OG1-NH1 3.06Å; H654-R658 PolarHBondContact O-N 3.39Å; H654-R658 VanDerWaalsContact O-N 3.12Å; P655-R658 WeakPolarHBondContact O-CA 3.45Å; P655-R658 WeakPolarHBondContact O-CG 3.15Å; P655-R658 PolarHBondContact O-N 3.43Å; D656-R658 VanDerWaalsContact C-N 3.27Å; R658-L660 HydrophobicContact CB-CG 4.43Å; R658-L660 PolarHBondContact O-N 3.45Å
659	N	83.4	Confident	90.4	Very high	121 Å²	121	42.4 Å²	42.4	65%	0.647	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	32.3	-170.8	-55.4	-90.7	0	0	0	113	E652 C657	E652-N659 VanDerWaalsContact O-CA 3.29Å; E652-N659 WeakPolarHBondContact O-CA 3.29Å; E652-N659 PolarHBondContact O-N 3.23Å; C657-N659 PolarHBondContact O-N 3.28Å; C657-N659 VanDerWaalsContact O-N 3.11Å
660	L	86.9	Confident	90.5	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.047	22%	0.215	C	C	.	.			trans	-95	133.1	169.5	-60.6	176.8	0	0	0	109.3	R378 A379 C657 R658 F665	R378-L660 HydrophobicContact CB-CD2 3.95Å; A379-L660 HydrophobicContact CB-CD1 4.03Å; C657-L660 VanDerWaalsContact O-CB 3.24Å; C657-L660 WeakPolarHBondContact O-CB 3.46Å; C657-L660 PolarHBondContact O-N 2.93Å; R658-L660 HydrophobicContact CB-CG 4.43Å; R658-L660 PolarHBondContact O-N 3.45Å; L660-F665 HydrophobicContact CB-CE2 3.79Å; L660-F665 HydrophobicContact CB-CZ 4.18Å; L660-F665 HydrophobicContact CD1-CZ 4.31Å
661	P	90.9	Very high	90.5	Very high	51 Å²	51	35 Å²	35	33%	0.331	20%	0.2	S	C	.	.			trans	-72.5	150.8	-178.4	30	-35.2	0	0	0	111.5	E652 S663 S664	E652-P661 WeakPolarHBondContact OE1-CA 3.44Å; E652-P661 WeakPolarHBondContact OE1-CB 3.04Å; P661-S663 PolarHBondContact O-N 2.77Å; P661-S663 VanDerWaalsContact O-N 3.12Å; P661-S664 WeakPolarHBondContact O-CA 3.05Å; P661-S664 WeakPolarHBondContact O-CB 3.49Å; P661-S664 PolarHBondContact O-N 2.88Å; P661-S664 PolarHBondContact O-OG 3.17Å
662	M	92.4	Very high	90.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.8	-34.1	179.7	-175.5	178.6	59	0	0	112.1	L551 F555 L561 L573 F574 L633 F644 L648 E652 S664 F665 L666	L551-M662 HydrophobicContact CD1-CG 4.41Å; F555-M662 HydrophobicContact CB-CG 4.21Å; F555-M662 HydrophobicContact CB-SD 3.64Å; F555-M662 HydrophobicContact CD1-CB 3.86Å; F555-M662 HydrophobicContact CD1-CG 3.71Å; F555-M662 HydrophobicContact CD1-SD 3.51Å; F555-M662 VanDerWaalsContact CD1-SD 3.51Å; F555-M662 HydrophobicContact CD2-CG 4.2Å; F555-M662 HydrophobicContact CE1-CB 3.71Å; F555-M662 HydrophobicContact CE1-CG 4.08Å; F555-M662 HydrophobicContact CE1-SD 4.33Å; F555-M662 HydrophobicContact CG-CB 4.33Å; F555-M662 HydrophobicContact CG-CG 3.77Å; F555-M662 HydrophobicContact CG-SD 3.69Å; F555-M662 HydrophobicContact CZ-CB 4.05Å; F555-M662 HydrophobicContact CZ-CG 4.45Å; L561-M662 HydrophobicContact CD2-SD 4.19Å; L573-M662 HydrophobicContact CD1-CE 4.29Å; L573-M662 HydrophobicContact CD2-CE 3.95Å; F574-M662 HydrophobicContact CE1-SD 4.11Å; F574-M662 HydrophobicContact CZ-SD 4.07Å; L633-M662 HydrophobicContact CD1-CE 3.35Å; L633-M662 HydrophobicContact CD2-CE 4.28Å; L633-M662 HydrophobicContact CG-CE 4.44Å; F644-M662 HydrophobicContact CZ-CE 4.08Å; L648-M662 HydrophobicContact CD1-CB 3.76Å; L648-M662 HydrophobicContact CD1-CE 3.77Å; L648-M662 HydrophobicContact CD1-SD 4.08Å; L648-M662 HydrophobicContact CD2-CE 4.4Å; E652-M662 PolarHBondContact OE1-N 3.21Å; M662-S664 PolarHBondContact O-N 2.77Å; M662-S664 VanDerWaalsContact O-N 3.14Å; M662-F665 PolarHBondContact O-N 2.75Å; M662-L666 HydrophobicContact CE-CD1 4.38Å; M662-L666 HydrophobicContact CG-CD1 4.07Å; M662-L666 HydrophobicContact CG-CG 4.22Å; M662-L666 WeakPolarHBondContact O-CG 3.36Å; M662-L666 PolarHBondContact O-N 3.05Å
663	S	91.5	Very high	90.8	Very high	64 Å²	64	32.3 Å²	32.3	45%	0.448	19%	0.187	S	C	.	.	H	α-helix	trans	-56.6	-25.5	172.8	61.2	0	0	0	0	114.2	P661	P661-S663 PolarHBondContact O-N 2.77Å; P661-S663 VanDerWaalsContact O-N 3.12Å
664	S	91.3	Very high	91	Very high	10 Å²	10	31.3 Å²	31.3	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-86.1	-16.1	176.5	74.7	0	0	0	0	114.2	P661 M662 I667	P661-S664 WeakPolarHBondContact O-CA 3.05Å; P661-S664 WeakPolarHBondContact O-CB 3.49Å; P661-S664 PolarHBondContact O-N 2.88Å; P661-S664 PolarHBondContact O-OG 3.17Å; M662-S664 PolarHBondContact O-N 2.77Å; M662-S664 VanDerWaalsContact O-N 3.14Å; S664-I667 WeakPolarHBondContact O-CG2 3.5Å
665	F	93.4	Very high	91.2	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-87.1	-42.8	169.5	-69.7	-84.7	0	0	0	111.6	I550 L551 F555 L660 M662 I667 L668	I550-F665 HydrophobicContact CB-CE1 4.16Å; I550-F665 HydrophobicContact CG2-CD1 4.38Å; I550-F665 HydrophobicContact CG2-CE1 3.7Å; I550-F665 HydrophobicContact CG2-CZ 3.84Å; L551-F665 HydrophobicContact CB-CB 4.11Å; L551-F665 HydrophobicContact CD1-CB 3.88Å; L551-F665 HydrophobicContact CD2-CB 4.27Å; L551-F665 HydrophobicContact CG-CB 4.3Å; F555-F665 HydrophobicContact CE2-CD2 4Å; F555-F665 HydrophobicContact CE2-CE2 4.15Å; F555-F665 HydrophobicContact CZ-CD2 4.5Å; L660-F665 HydrophobicContact CB-CE2 3.79Å; L660-F665 HydrophobicContact CB-CZ 4.18Å; L660-F665 HydrophobicContact CD1-CZ 4.31Å; M662-F665 PolarHBondContact O-N 2.75Å; F665-I667 PolarHBondContact O-N 3.43Å; F665-I667 VanDerWaalsContact O-N 3.16Å; F665-L668 HydrophobicContact CB-CD1 4.35Å; F665-L668 HydrophobicContact CD1-CD1 3.99Å; F665-L668 VanDerWaalsContact O-CB 3.28Å; F665-L668 WeakPolarHBondContact O-CB 3.42Å; F665-L668 VanDerWaalsContact O-CG 3.22Å; F665-L668 WeakPolarHBondContact O-CG 3.48Å; F665-L668 PolarHBondContact O-N 3.21Å
666	L	94.3	Very high	91.6	Very high	9 Å²	9	27.1 Å²	27.1	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-29.2	-179.6	-71.6	168.3	0	0	0	113.6	L551 L573 F574 Y622 L633 M662 L668 P669	L551-L666 HydrophobicContact CD1-CD2 4Å; L551-L666 HydrophobicContact CD1-CG 4.29Å; L551-L666 HydrophobicContact CD2-CD2 4.33Å; L573-L666 HydrophobicContact CD1-CD1 3.73Å; L573-L666 WeakPolarHBondContact O-CD2 3.24Å; F574-L666 HydrophobicContact CD1-CD2 4.18Å; F574-L666 HydrophobicContact CE1-CD2 4.41Å; Y622-L666 WeakPolarHBondContact CE1-O 3.36Å; Y622-L666 PolarHBondContact OH-O 3.18Å; L633-L666 HydrophobicContact CD2-CD1 4.01Å; M662-L666 HydrophobicContact CE-CD1 4.38Å; M662-L666 HydrophobicContact CG-CD1 4.07Å; M662-L666 HydrophobicContact CG-CG 4.22Å; M662-L666 WeakPolarHBondContact O-CG 3.36Å; M662-L666 PolarHBondContact O-N 3.05Å; L666-L668 VanDerWaalsContact C-N 3.34Å; L666-P669 WeakPolarHBondContact O-CD 3.42Å
667	I	92.3	Very high	92.2	Very high	37 Å²	37	24.7 Å²	24.7	19%	0.19	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.4	179	-168.1	58.3	0	0	0	113.8	E626 S664 F665 M670 Q671	E626-I667 HydrophobicContact CG-CD1 4.48Å; E626-I667 WeakPolarHBondContact OE1-CD1 3.47Å; S664-I667 WeakPolarHBondContact O-CG2 3.5Å; F665-I667 PolarHBondContact O-N 3.43Å; F665-I667 VanDerWaalsContact O-N 3.16Å; I667-M670 HydrophobicContact CD1-CB 4.21Å; I667-M670 PolarHBondContact O-N 3.48Å; I667-Q671 HydrophobicContact CG1-CG 4.15Å; I667-Q671 WeakPolarHBondContact O-CG 3.31Å; I667-Q671 PolarHBondContact O-N 2.93Å; I667-Q671 VanDerWaalsContact O-N 3.17Å
668	L	94.3	Very high	92.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-60.7	-40.2	-172.6	-67.2	171.3	0	0	0	114.3	Y544 L548 F665 L666 M670 Q671 R672	Y544-L668 HydrophobicContact CD2-CB 4.23Å; Y544-L668 HydrophobicContact CE2-CB 3.9Å; L548-L668 HydrophobicContact CD2-CB 4.48Å; F665-L668 HydrophobicContact CB-CD1 4.35Å; F665-L668 HydrophobicContact CD1-CD1 3.99Å; F665-L668 VanDerWaalsContact O-CB 3.28Å; F665-L668 WeakPolarHBondContact O-CB 3.42Å; F665-L668 VanDerWaalsContact O-CG 3.22Å; F665-L668 WeakPolarHBondContact O-CG 3.48Å; F665-L668 PolarHBondContact O-N 3.21Å; L666-L668 VanDerWaalsContact C-N 3.34Å; L668-M670 PolarHBondContact O-N 2.94Å; L668-Q671 PolarHBondContact O-N 3.45Å; L668-R672 PolarHBondContact O-N 3.14Å
669	P	96.3	Very high	93.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-41.2	178.4	-27.5	38.4	0	0	0	114	L548 I577 V580 Y619 Y622 L666 R672 I673	L548-P669 HydrophobicContact CD2-CG 4.22Å; I577-P669 HydrophobicContact CD1-CG 3.7Å; V580-P669 HydrophobicContact CG1-CB 4.01Å; V580-P669 HydrophobicContact CG1-CG 4.03Å; Y619-P669 HydrophobicContact CD1-CB 4.04Å; Y619-P669 HydrophobicContact CE1-CB 4.11Å; Y622-P669 HydrophobicContact CD1-CB 3.7Å; Y622-P669 HydrophobicContact CD1-CG 3.8Å; Y622-P669 HydrophobicContact CE1-CB 3.88Å; Y622-P669 HydrophobicContact CE1-CG 3.55Å; L666-P669 WeakPolarHBondContact O-CD 3.42Å; P669-R672 PolarHBondContact O-N 3.49Å; P669-I673 WeakPolarHBondContact O-CG2 3.46Å; P669-I673 PolarHBondContact O-N 3.32Å
670	M	94.1	Very high	94.2	Very high	19 Å²	19	17.8 Å²	17.8	9%	0.094	10%	0.096	C	C	.	.	H	α-helix	trans	-64.5	-40.6	174.3	-178.8	62	86.9	0	0	111.1	C623 E626 I667 L668 I673 T674	C623-M670 HydrophobicContact CB-CE 3.65Å; C623-M670 HydrophobicContact CB-SD 4.48Å; E626-M670 WeakPolarHBondContact OE2-CB 3.39Å; E626-M670 VanDerWaalsContact OE2-CE 3.27Å; E626-M670 WeakPolarHBondContact OE2-CE 2.93Å; E626-M670 WeakPolarHBondContact OE2-CG 3.2Å; I667-M670 HydrophobicContact CD1-CB 4.21Å; I667-M670 PolarHBondContact O-N 3.48Å; L668-M670 PolarHBondContact O-N 2.94Å; M670-I673 HydrophobicContact SD-CG2 4.5Å; M670-T674 WeakPolarHBondContact O-CB 3.07Å; M670-T674 WeakPolarHBondContact O-CG2 3.31Å; M670-T674 PolarHBondContact O-N 3.02Å; M670-T674 PolarHBondContact O-OG1 3.28Å; M670-T674 HydrophobicContact SD-CG2 4.19Å
671	Q	94.5	Very high	94.6	Very high	33 Å²	33	19.7 Å²	19.7	15%	0.154	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-36.1	176.3	-69.2	176.5	1.3	0	0	112.8	Y376 I667 L668 T674 R675	Y376-Q671 HydrophobicContact CD2-CB 4.18Å; I667-Q671 HydrophobicContact CG1-CG 4.15Å; I667-Q671 WeakPolarHBondContact O-CG 3.31Å; I667-Q671 PolarHBondContact O-N 2.93Å; I667-Q671 VanDerWaalsContact O-N 3.17Å; L668-Q671 PolarHBondContact O-N 3.45Å; Q671-T674 PolarHBondContact O-OG1 3.33Å; Q671-R675 VanDerWaalsContact O-CB 3.3Å; Q671-R675 WeakPolarHBondContact O-CB 3.22Å; Q671-R675 PolarHBondContact O-N 3.44Å; Q671-R675 VanDerWaalsContact O-N 3.12Å
672	R	97	Very high	94.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-71.4	-50.2	178.1	-170.9	68.4	-178	161.9	2.8	111.7	V537 S540 E541 Y544 L668 P669 T674 R675 L676	V537-R672 PolarHBondContact O-NH2 2.91Å; S540-R672 PolarHBondContact O-NH1 2.95Å; S540-R672 PolarHBondContact OG-NH1 3.12Å; E541-R672 IonicContact OE2-CZ 3.78Å; E541-R672 IonicContact OE2-NE 3.23Å; E541-R672 PolarHBondContact OE2-NE 3.47Å; E541-R672 IonicContact OE2-NH2 3.42Å; E541-R672 PolarHBondContact OE2-NH2 2.97Å; Y544-R672 HydrophobicContact CD1-CB 4.33Å; Y544-R672 HydrophobicContact CD1-CG 3.76Å; Y544-R672 HydrophobicContact CD2-CB 3.89Å; Y544-R672 HydrophobicContact CD2-CG 4.15Å; Y544-R672 HydrophobicContact CE1-CB 4.03Å; Y544-R672 HydrophobicContact CE1-CG 3.67Å; Y544-R672 HydrophobicContact CE2-CB 3.56Å; Y544-R672 HydrophobicContact CE2-CG 4.08Å; Y544-R672 HydrophobicContact CG-CB 4.26Å; Y544-R672 HydrophobicContact CG-CG 3.99Å; L668-R672 PolarHBondContact O-N 3.14Å; P669-R672 PolarHBondContact O-N 3.49Å; R672-T674 PolarHBondContact O-N 3.16Å; R672-R675 PolarHBondContact O-N 2.98Å; R672-L676 HydrophobicContact CG-CD1 4.34Å; R672-L676 HydrophobicContact CG-CG 4.45Å; R672-L676 PolarHBondContact O-N 3.1Å
673	I	95.5	Very high	95	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-30.8	-176.9	-159	68	0	0	0	112	F616 Y619 P669 M670 P677 M704 V707 V708	F616-I673 HydrophobicContact CD2-CD1 3.79Å; F616-I673 HydrophobicContact CE2-CD1 4.35Å; F616-I673 HydrophobicContact CG-CD1 4.47Å; Y619-I673 HydrophobicContact CD1-CB 4.08Å; Y619-I673 HydrophobicContact CD1-CD1 4.41Å; Y619-I673 HydrophobicContact CG-CD1 4.36Å; P669-I673 WeakPolarHBondContact O-CG2 3.46Å; P669-I673 PolarHBondContact O-N 3.32Å; M670-I673 HydrophobicContact SD-CG2 4.5Å; I673-P677 WeakPolarHBondContact O-CD 3.46Å; I673-M704 HydrophobicContact CD1-SD 3.75Å; I673-V707 HydrophobicContact CD1-CB 4.31Å; I673-V707 HydrophobicContact CD1-CG1 3.79Å; I673-V707 HydrophobicContact CG1-CB 4.48Å; I673-V707 HydrophobicContact CG1-CG1 3.92Å; I673-V708 HydrophobicContact CG1-CG2 4.23Å; I673-V708 WeakPolarHBondContact O-CG2 3.5Å
674	T	94.9	Very high	95.1	Very high	17 Å²	17	16.9 Å²	16.9	10%	0.104	9%	0.086	C	C	.	.	H	α-helix	trans	-79.4	-22.8	172.7	53.9	0	0	0	0	114.2	M670 Q671 R672 V708	M670-T674 WeakPolarHBondContact O-CB 3.07Å; M670-T674 WeakPolarHBondContact O-CG2 3.31Å; M670-T674 PolarHBondContact O-N 3.02Å; M670-T674 PolarHBondContact O-OG1 3.28Å; M670-T674 HydrophobicContact SD-CG2 4.19Å; Q671-T674 PolarHBondContact O-OG1 3.33Å; R672-T674 PolarHBondContact O-N 3.16Å; T674-V708 HydrophobicContact CG2-CG1 4.17Å
675	R	96	Very high	95.3	Very high	75 Å²	75	22 Å²	22	28%	0.283	11%	0.109	S	C	.	.	H	α-helix	trans	-80	-38.6	175.1	-171.2	-175.9	-175.6	90	4.1	112.9	Y376 E536 Q671 R672 L678 L679	Y376-R675 WeakPolarHBondContact OH-CD 3.38Å; E536-R675 IonicContact OE1-CZ 3.12Å; E536-R675 IonicContact OE1-NE 1.94Å; E536-R675 IonicContact OE1-NH2 2.7Å; E536-R675 PolarHBondContact OE1-NH2 2.89Å; Q671-R675 VanDerWaalsContact O-CB 3.3Å; Q671-R675 WeakPolarHBondContact O-CB 3.22Å; Q671-R675 PolarHBondContact O-N 3.44Å; Q671-R675 VanDerWaalsContact O-N 3.12Å; R672-R675 PolarHBondContact O-N 2.98Å; R675-L678 WeakPolarHBondContact O-CA 3.39Å; R675-L678 WeakPolarHBondContact O-CB 3.37Å; R675-L678 PolarHBondContact O-N 3.47Å; R675-L679 HydrophobicContact CG-CD1 4.17Å; R675-L679 HydrophobicContact CG-CD2 4.38Å; R675-L679 HydrophobicContact CG-CG 4.08Å; R675-L679 PolarHBondContact O-N 2.86Å
676	L	97.3	Very high	95.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-52.5	-42.1	-175.3	-74.7	170.6	0	0	0	114.3	V537 F587 F616 R672 L678 L679 L680 M704	V537-L676 HydrophobicContact CG1-CD2 4.48Å; F587-L676 HydrophobicContact CE1-CD1 4.46Å; F587-L676 HydrophobicContact CE1-CD2 4.16Å; F587-L676 HydrophobicContact CZ-CD2 4.4Å; F616-L676 HydrophobicContact CE2-CD1 3.78Å; F616-L676 HydrophobicContact CZ-CD1 4.29Å; R672-L676 HydrophobicContact CG-CD1 4.34Å; R672-L676 HydrophobicContact CG-CG 4.45Å; R672-L676 PolarHBondContact O-N 3.1Å; L676-L678 VanDerWaalsContact C-N 3.3Å; L676-L678 PolarHBondContact O-N 2.98Å; L676-L679 PolarHBondContact O-N 2.85Å; L676-L680 PolarHBondContact O-N 3.25Å; L676-M704 HydrophobicContact CB-CE 4.25Å; L676-M704 HydrophobicContact CB-CG 3.81Å; L676-M704 HydrophobicContact CB-SD 4.02Å; L676-M704 HydrophobicContact CD1-CE 4.11Å; L676-M704 HydrophobicContact CD1-SD 4.03Å
677	P	97.1	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-35	171.7	-26.3	34.7	0	0	0	114.7	Y470 I673 D681 L701 M704 V708	Y470-P677 WeakPolarHBondContact OH-CB 3.12Å; I673-P677 WeakPolarHBondContact O-CD 3.46Å; P677-D681 WeakPolarHBondContact O-CB 3.49Å; P677-D681 PolarHBondContact O-N 2.97Å; P677-L701 HydrophobicContact CB-CD1 3.87Å; P677-L701 WeakPolarHBondContact O-CD1 3.49Å; P677-M704 HydrophobicContact CG-CB 4.04Å; P677-M704 HydrophobicContact CG-CG 3.62Å; P677-V708 HydrophobicContact CG-CG2 4.04Å
678	L	96.3	Very high	94.9	Very high	35 Å²	35	27.1 Å²	27.1	18%	0.183	14%	0.139	C	C	.	.	H	α-helix	trans	-74.1	-33.7	-178.1	-53.8	178.6	0	0	0	111.5	Y470 A477 R675 L676 T682	Y470-L678 HydrophobicContact CE1-CD2 4.05Å; A477-L678 HydrophobicContact CB-CD1 4.5Å; R675-L678 WeakPolarHBondContact O-CA 3.39Å; R675-L678 WeakPolarHBondContact O-CB 3.37Å; R675-L678 PolarHBondContact O-N 3.47Å; L676-L678 VanDerWaalsContact C-N 3.3Å; L676-L678 PolarHBondContact O-N 2.98Å; L678-T682 PolarHBondContact O-N 2.99Å; L678-T682 VanDerWaalsContact O-N 3.09Å; L678-T682 PolarHBondContact O-OG1 3.05Å
679	L	95.5	Very high	94.7	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-71.1	-43.6	173.5	-55.2	-179.7	0	0	0	110.9	E536 V537 R675 L676 T682 I683	E536-L679 VanDerWaalsContact OE1-CD2 3.23Å; E536-L679 WeakPolarHBondContact OE1-CD2 3.15Å; V537-L679 HydrophobicContact CG2-CB 3.62Å; V537-L679 HydrophobicContact CG2-CD1 3.93Å; V537-L679 HydrophobicContact CG2-CG 4.38Å; R675-L679 HydrophobicContact CG-CD1 4.17Å; R675-L679 HydrophobicContact CG-CD2 4.38Å; R675-L679 HydrophobicContact CG-CG 4.08Å; R675-L679 PolarHBondContact O-N 2.86Å; L676-L679 PolarHBondContact O-N 2.85Å; L679-T682 WeakPolarHBondContact O-CB 3.48Å; L679-T682 PolarHBondContact O-N 3.22Å; L679-T682 VanDerWaalsContact O-N 3.14Å; L679-I683 WeakPolarHBondContact O-CG1 3.49Å; L679-I683 PolarHBondContact O-N 2.84Å
680	L	96.5	Very high	94.3	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-44.5	172.7	-75.9	177	0	0	0	112.5	V608 L676 T682 I683 C684 A700 L701 M704	V608-L680 HydrophobicContact CB-CD2 4.2Å; V608-L680 HydrophobicContact CG1-CD1 3.74Å; V608-L680 HydrophobicContact CG1-CD2 4.06Å; V608-L680 HydrophobicContact CG1-CG 4.21Å; V608-L680 HydrophobicContact CG2-CD2 4.23Å; L676-L680 PolarHBondContact O-N 3.25Å; L680-T682 PolarHBondContact O-N 3.04Å; L680-I683 PolarHBondContact O-N 3.13Å; L680-C684 WeakPolarHBondContact O-CB 3.42Å; L680-C684 PolarHBondContact O-N 3.38Å; L680-A700 HydrophobicContact CD1-CB 4.12Å; L680-A700 HydrophobicContact CD2-CB 4.27Å; L680-L701 HydrophobicContact CB-CB 4.32Å; L680-L701 HydrophobicContact CB-CD1 4.09Å; L680-L701 HydrophobicContact CD1-CB 4.43Å; L680-M704 HydrophobicContact CD1-CB 4.07Å
681	D	95.9	Very high	94.1	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.262	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-36.9	174.6	-175.6	51.6	0	0	0	111.2	P677 C684 Q685 L701	P677-D681 WeakPolarHBondContact O-CB 3.49Å; P677-D681 PolarHBondContact O-N 2.97Å; D681-C684 WeakPolarHBondContact O-CB 3.35Å; D681-C684 PolarHBondContact O-N 3Å; D681-Q685 WeakPolarHBondContact O-CB 3.42Å; D681-Q685 WeakPolarHBondContact O-CG 3.04Å; D681-Q685 PolarHBondContact O-N 3.14Å; D681-Q685 PolarHBondContact OD2-NE2 2.82Å; D681-L701 HydrophobicContact CB-CD2 4.21Å
682	T	95.8	Very high	93.9	Very high	48 Å²	48	44.7 Å²	44.7	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-45.6	175.2	-57.5	0	0	0	0	112	A533 L678 L679 L680 Q685 K686	A533-T682 HydrophobicContact CB-CG2 3.97Å; L678-T682 PolarHBondContact O-N 2.99Å; L678-T682 VanDerWaalsContact O-N 3.09Å; L678-T682 PolarHBondContact O-OG1 3.05Å; L679-T682 WeakPolarHBondContact O-CB 3.48Å; L679-T682 PolarHBondContact O-N 3.22Å; L679-T682 VanDerWaalsContact O-N 3.14Å; L680-T682 PolarHBondContact O-N 3.04Å; T682-Q685 PolarHBondContact O-N 3.28Å; T682-K686 WeakPolarHBondContact O-CG 3.42Å; T682-K686 PolarHBondContact O-N 3.5Å
683	I	95.4	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-44.4	174.9	-64.8	165.5	0	0	0	110.7	A533 I534 V537 I604 L679 L680 Q685 K686 T687	A533-I683 HydrophobicContact CB-CG1 3.76Å; I534-I683 HydrophobicContact CG1-CD1 3.98Å; I534-I683 HydrophobicContact CG1-CG1 4.15Å; I534-I683 HydrophobicContact CG1-CG2 4.28Å; V537-I683 HydrophobicContact CG2-CD1 3.83Å; I604-I683 HydrophobicContact CD1-CD1 4.07Å; I604-I683 HydrophobicContact CG1-CD1 4.4Å; L679-I683 WeakPolarHBondContact O-CG1 3.49Å; L679-I683 PolarHBondContact O-N 2.84Å; L680-I683 PolarHBondContact O-N 3.13Å; I683-Q685 VanDerWaalsContact C-N 3.33Å; I683-Q685 PolarHBondContact O-N 2.95Å; I683-K686 CarbonylContact O-C 3.49Å; I683-K686 PolarHBondContact O-N 3.25Å; I683-T687 PolarHBondContact O-N 3.14Å; I683-T687 PolarHBondContact O-OG1 2.91Å
684	C	94.4	Very high	93.5	Very high	7 Å²	7	50.2 Å²	50.2	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-44.1	176.7	-170.3	0	0	0	0	111.3	L680 D681 K686 T687 Y694 C697	L680-C684 WeakPolarHBondContact O-CB 3.42Å; L680-C684 PolarHBondContact O-N 3.38Å; D681-C684 WeakPolarHBondContact O-CB 3.35Å; D681-C684 PolarHBondContact O-N 3Å; C684-K686 VanDerWaalsContact C-N 3.29Å; C684-K686 PolarHBondContact O-N 3.47Å; C684-T687 PolarHBondContact O-N 3.46Å; C684-Y694 WeakPolarHBondContact O-CE2 3.16Å; C684-Y694 WeakPolarHBondContact SG-CE2 3.45Å; C684-C697 HydrophobicContact CB-CB 4.44Å
685	Q	93.9	Very high	93.5	Very high	119 Å²	119	53.9 Å²	53.9	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-65.6	-22.8	174.7	-74.4	177.2	38.9	0	0	114.4	D681 T682 I683	D681-Q685 WeakPolarHBondContact O-CB 3.42Å; D681-Q685 WeakPolarHBondContact O-CG 3.04Å; D681-Q685 PolarHBondContact O-N 3.14Å; D681-Q685 PolarHBondContact OD2-NE2 2.82Å; T682-Q685 PolarHBondContact O-N 3.28Å; I683-Q685 VanDerWaalsContact C-N 3.33Å; I683-Q685 PolarHBondContact O-N 2.95Å
686	K	92	Very high	93.5	Very high	80 Å²	80	53 Å²	53	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-95.6	-4.4	174	-51.8	-40.6	174.2	-149.9	0	113.3	K529 R530 T682 I683 C684	K529-K686 HydrophobicContact CB-CD 4.4Å; K529-K686 HydrophobicContact CB-CG 4.35Å; R530-K686 HydrophobicContact CB-CB 3.84Å; R530-K686 HydrophobicContact CG-CB 4Å; T682-K686 WeakPolarHBondContact O-CG 3.42Å; T682-K686 PolarHBondContact O-N 3.5Å; I683-K686 CarbonylContact O-C 3.49Å; I683-K686 PolarHBondContact O-N 3.25Å; C684-K686 VanDerWaalsContact C-N 3.29Å; C684-K686 PolarHBondContact O-N 3.47Å
687	T	91.6	Very high	93.4	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.055	28%	0.28	C	S	.	.	S	Bend	trans	-93.6	139.4	-178.7	-57.4	0	0	0	0	110.5	R530 I683 C684 K689 R693	R530-T687 WeakPolarHBondContact CD-OG1 3.34Å; I683-T687 PolarHBondContact O-N 3.14Å; I683-T687 PolarHBondContact O-OG1 2.91Å; C684-T687 PolarHBondContact O-N 3.46Å; T687-K689 PolarHBondContact O-N 3.36Å; T687-R693 HydrophobicContact CG2-CB 3.92Å
688	S	89.8	Confident	93.4	Very high	68 Å²	68	56.2 Å²	56.2	48%	0.476	30%	0.295	S	S	.	.			trans	-64.6	124.1	179.1	-175.1	0	0	0	0	111.1	D690 S691 Y694	S688-D690 PolarHBondContact O-N 3.32Å; S688-S691 WeakPolarHBondContact O-CB 3.44Å; S688-S691 PolarHBondContact O-N 3.13Å; S688-S691 VanDerWaalsContact O-N 3.1Å; S688-S691 PolarHBondContact O-OG 3.14Å; S688-Y694 WeakPolarHBondContact O-CB 3.37Å
689	K	88.6	Confident	93.4	Very high	147 Å²	147	59.2 Å²	59.2	64%	0.639	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.6	-172.2	-64.2	-172.4	176.6	-174.6	0	114	T687 S691 Y694	T687-K689 PolarHBondContact O-N 3.36Å; K689-S691 PolarHBondContact O-N 2.95Å; K689-Y694 HydrophobicContact CB-CD1 4.37Å; K689-Y694 HydrophobicContact CB-CE1 4.4Å; K689-Y694 HydrophobicContact CG-CD2 4.24Å; K689-Y694 HydrophobicContact CG-CE1 4.33Å; K689-Y694 HydrophobicContact CG-CE2 3.96Å
690	D	87.4	Confident	93.5	Very high	164 Å²	164	59 Å²	59	88%	0.877	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	14.8	-178.8	-46.7	-63.1	0	0	0	112.3	S688	S688-D690 PolarHBondContact O-N 3.32Å
691	S	90.4	Very high	93.5	Very high	29 Å²	29	60.3 Å²	60.3	20%	0.203	31%	0.312	C	S	.	.	S	Bend	trans	-114.2	146.5	-179.2	75.2	0	0	0	0	112.7	S688 K689 R693 Y694	S688-S691 WeakPolarHBondContact O-CB 3.44Å; S688-S691 PolarHBondContact O-N 3.13Å; S688-S691 VanDerWaalsContact O-N 3.1Å; S688-S691 PolarHBondContact O-OG 3.14Å; K689-S691 PolarHBondContact O-N 2.95Å; S691-R693 PolarHBondContact O-N 3.33Å; S691-R693 VanDerWaalsContact O-N 3.16Å; S691-Y694 VanDerWaalsContact O-CB 3.3Å; S691-Y694 WeakPolarHBondContact O-CB 3.33Å; S691-Y694 PolarHBondContact O-N 2.73Å
692	A	91.3	Very high	93.6	Very high	82 Å²	82	63.9 Å²	63.9	68%	0.678	33%	0.327	S	S	*	.	H	α-helix	trans	-54.9	-36.2	179.3	0	0	0	0	0	113.2	Y694 E695 T696	A692-Y694 PolarHBondContact O-N 3.38Å; A692-E695 PolarHBondContact O-N 3.23Å; A692-E695 VanDerWaalsContact O-N 3.09Å; A692-T696 PolarHBondContact O-N 3.42Å; A692-T696 PolarHBondContact O-OG1 3.23Å
693	R	90.3	Very high	93.7	Very high	70 Å²	70	62.1 Å²	62.1	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-55.1	-33.3	174.7	-61.2	179.2	-58.2	176	7	112.8	D602 T687 S691 C697	D602-R693 WeakPolarHBondContact OD1-CD 3.45Å; D602-R693 IonicContact OD1-CZ 3.62Å; D602-R693 IonicContact OD1-NE 3.89Å; D602-R693 IonicContact OD1-NH1 3.18Å; D602-R693 PolarHBondContact OD1-NH1 2.94Å; D602-R693 WeakPolarHBondContact OD2-CD 3.41Å; T687-R693 HydrophobicContact CG2-CB 3.92Å; S691-R693 PolarHBondContact O-N 3.33Å; S691-R693 VanDerWaalsContact O-N 3.16Å; R693-C697 VanDerWaalsContact O-CB 3.24Å; R693-C697 WeakPolarHBondContact O-CB 3.17Å; R693-C697 PolarHBondContact O-N 2.79Å
694	Y	94	Very high	93.8	Very high	46 Å²	46	62.1 Å²	62.1	18%	0.18	32%	0.317	C	S	.	.	H	α-helix	trans	-67.1	-43.2	176.6	-178.2	-102.2	0	0	0	112.1	C684 S688 K689 S691 A692 C697 K698	C684-Y694 WeakPolarHBondContact O-CE2 3.16Å; C684-Y694 WeakPolarHBondContact SG-CE2 3.45Å; S688-Y694 WeakPolarHBondContact O-CB 3.37Å; K689-Y694 HydrophobicContact CB-CD1 4.37Å; K689-Y694 HydrophobicContact CB-CE1 4.4Å; K689-Y694 HydrophobicContact CG-CD2 4.24Å; K689-Y694 HydrophobicContact CG-CE1 4.33Å; K689-Y694 HydrophobicContact CG-CE2 3.96Å; S691-Y694 VanDerWaalsContact O-CB 3.3Å; S691-Y694 WeakPolarHBondContact O-CB 3.33Å; S691-Y694 PolarHBondContact O-N 2.73Å; A692-Y694 PolarHBondContact O-N 3.38Å; Y694-C697 PolarHBondContact O-N 3.17Å; Y694-K698 HydrophobicContact CE1-CD 4.16Å; Y694-K698 WeakPolarHBondContact O-CB 3.49Å; Y694-K698 PolarHBondContact O-N 2.98Å
695	E	94.4	Very high	93.9	Very high	94 Å²	94	63.1 Å²	63.1	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-71.5	-35.1	176.9	-69.6	-61.9	141	0	0	112	A692 K698 K699	A692-E695 PolarHBondContact O-N 3.23Å; A692-E695 VanDerWaalsContact O-N 3.09Å; E695-K698 PolarHBondContact O-N 3.07Å; E695-K698 IonicContact OE1-NZ 3.26Å; E695-K698 PolarHBondContact OE1-NZ 3.23Å; E695-K698 IonicContact OE2-NZ 2.65Å; E695-K698 PolarHBondContact OE2-NZ 3.46Å; E695-K699 PolarHBondContact O-N 3.42Å
696	T	94.9	Very high	94.1	Very high	55 Å²	55	63.6 Å²	63.6	34%	0.337	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-47.5	169.5	-49.7	0	0	0	0	111.4	A692 K698 K699 A700	A692-T696 PolarHBondContact O-N 3.42Å; A692-T696 PolarHBondContact O-OG1 3.23Å; T696-K698 VanDerWaalsContact C-N 3.35Å; T696-K698 PolarHBondContact O-N 2.93Å; T696-K699 PolarHBondContact O-N 3.16Å; T696-A700 PolarHBondContact O-N 3.26Å
697	C	96	Very high	94.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-40.7	177.8	-161.7	0	0	0	0	112.4	S605 C684 R693 Y694 A700 L701	S605-C697 VanDerWaalsContact OG-CA 3.28Å; S605-C697 WeakPolarHBondContact OG-CA 3.46Å; S605-C697 WeakPolarHBondContact OG-CB 3.45Å; S605-C697 PolarHBondContact OG-SG 3.31Å; S605-C697 VanDerWaalsContact OG-SG 3.42Å; C684-C697 HydrophobicContact CB-CB 4.44Å; R693-C697 VanDerWaalsContact O-CB 3.24Å; R693-C697 WeakPolarHBondContact O-CB 3.17Å; R693-C697 PolarHBondContact O-N 2.79Å; Y694-C697 PolarHBondContact O-N 3.17Å; C697-A700 PolarHBondContact O-N 3.27Å; C697-L701 WeakPolarHBondContact O-CB 3.48Å; C697-L701 PolarHBondContact O-N 2.88Å
698	K	96.3	Very high	94.6	Very high	71 Å²	71	59.9 Å²	59.9	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-37.8	174.4	178.8	174.6	156.7	-135.3	0	112.5	Y694 E695 T696 Q702	Y694-K698 HydrophobicContact CE1-CD 4.16Å; Y694-K698 WeakPolarHBondContact O-CB 3.49Å; Y694-K698 PolarHBondContact O-N 2.98Å; E695-K698 PolarHBondContact O-N 3.07Å; E695-K698 IonicContact OE1-NZ 3.26Å; E695-K698 PolarHBondContact OE1-NZ 3.23Å; E695-K698 IonicContact OE2-NZ 2.65Å; E695-K698 PolarHBondContact OE2-NZ 3.46Å; T696-K698 VanDerWaalsContact C-N 3.35Å; T696-K698 PolarHBondContact O-N 2.93Å; K698-Q702 WeakPolarHBondContact O-CG 3.44Å; K698-Q702 PolarHBondContact O-N 3.01Å
699	K	96.9	Very high	94.8	Very high	98 Å²	98	62.7 Å²	62.7	43%	0.426	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-48	170.4	-168.3	-161	172.6	-137.7	0	110.8	C609 E613 E695 T696 L701 Q702 A703	C609-K699 PolarHBondContact SG-NZ 2.84Å; E613-K699 VanDerWaalsContact CD-NZ 3.3Å; E613-K699 VanDerWaalsContact OE1-CE 3.24Å; E613-K699 WeakPolarHBondContact OE1-CE 3.2Å; E613-K699 IonicContact OE1-NZ 2.73Å; E613-K699 PolarHBondContact OE1-NZ 2.94Å; E613-K699 IonicContact OE2-NZ 3.47Å; E613-K699 PolarHBondContact OE2-NZ 2.83Å; E695-K699 PolarHBondContact O-N 3.42Å; T696-K699 PolarHBondContact O-N 3.16Å; K699-L701 VanDerWaalsContact C-N 3.29Å; K699-L701 PolarHBondContact O-N 2.99Å; K699-Q702 PolarHBondContact O-N 3.33Å; K699-Q702 VanDerWaalsContact O-N 3.17Å; K699-A703 PolarHBondContact O-N 3.05Å
700	A	97.6	Very high	95.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-41.7	177.8	0	0	0	0	0	112	S605 V608 C609 L680 T696 C697 A703 M704	S605-A700 WeakPolarHBondContact O-CB 3.46Å; V608-A700 HydrophobicContact CB-CB 4.47Å; C609-A700 HydrophobicContact CB-CB 3.9Å; L680-A700 HydrophobicContact CD1-CB 4.12Å; L680-A700 HydrophobicContact CD2-CB 4.27Å; T696-A700 PolarHBondContact O-N 3.26Å; C697-A700 PolarHBondContact O-N 3.27Å; A700-A703 PolarHBondContact O-N 2.64Å; A700-M704 PolarHBondContact O-N 3.5Å
701	L	97.3	Very high	95.4	Very high	30 Å²	30	52 Å²	52	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-45.4	175.6	178.2	58.1	0	0	0	111.7	P677 L680 D681 C697 K699 A703 M704 S705	P677-L701 HydrophobicContact CB-CD1 3.87Å; P677-L701 WeakPolarHBondContact O-CD1 3.49Å; L680-L701 HydrophobicContact CB-CB 4.32Å; L680-L701 HydrophobicContact CB-CD1 4.09Å; L680-L701 HydrophobicContact CD1-CB 4.43Å; D681-L701 HydrophobicContact CB-CD2 4.21Å; C697-L701 WeakPolarHBondContact O-CB 3.48Å; C697-L701 PolarHBondContact O-N 2.88Å; K699-L701 VanDerWaalsContact C-N 3.29Å; K699-L701 PolarHBondContact O-N 2.99Å; L701-A703 VanDerWaalsContact C-N 3.35Å; L701-A703 PolarHBondContact O-N 2.66Å; L701-M704 PolarHBondContact O-N 3.32Å; L701-S705 WeakPolarHBondContact O-CB 3.47Å; L701-S705 PolarHBondContact O-N 3.31Å; L701-S705 PolarHBondContact O-OG 2.89Å
702	Q	97.4	Very high	95.4	Very high	125 Å²	125	53.4 Å²	53.4	58%	0.584	26%	0.26	S	S	*	.	H	α-helix	trans	-63.2	-39.3	175.4	-73.2	176.8	-1.3	0	0	112.5	K698 K699 K706	K698-Q702 WeakPolarHBondContact O-CG 3.44Å; K698-Q702 PolarHBondContact O-N 3.01Å; K699-Q702 PolarHBondContact O-N 3.33Å; K699-Q702 VanDerWaalsContact O-N 3.17Å; Q702-K706 WeakPolarHBondContact O-CB 3.35Å; Q702-K706 PolarHBondContact O-N 3.28Å
703	A	98	Very high	95.4	Very high	10 Å²	10	53 Å²	53	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-46.8	174.8	0	0	0	0	0	111.2	A612 E613 K699 A700 L701 S705 K706 V707	A612-A703 HydrophobicContact CB-CB 3.83Å; E613-A703 HydrophobicContact CG-CB 4.32Å; K699-A703 PolarHBondContact O-N 3.05Å; A700-A703 PolarHBondContact O-N 2.64Å; L701-A703 VanDerWaalsContact C-N 3.35Å; L701-A703 PolarHBondContact O-N 2.66Å; A703-S705 PolarHBondContact O-N 3.42Å; A703-K706 WeakPolarHBondContact O-CA 3.5Å; A703-K706 VanDerWaalsContact O-CB 3.27Å; A703-K706 WeakPolarHBondContact O-CB 3.38Å; A703-K706 PolarHBondContact O-N 3.06Å; A703-V707 PolarHBondContact O-N 2.7Å; A703-V707 VanDerWaalsContact O-N 3.1Å
704	M	97.8	Very high	95.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-43.6	178.5	-157.6	60.1	64.1	0	0	112.3	V608 A612 F616 I673 L676 P677 L680 A700 L701 K706 V707 V708	V608-M704 HydrophobicContact CG1-CE 3.29Å; A612-M704 HydrophobicContact CB-CE 3.77Å; A612-M704 HydrophobicContact CB-SD 4.29Å; F616-M704 HydrophobicContact CD2-CE 4.01Å; F616-M704 HydrophobicContact CD2-SD 3.88Å; F616-M704 HydrophobicContact CE2-CE 3.63Å; F616-M704 HydrophobicContact CE2-SD 3.92Å; I673-M704 HydrophobicContact CD1-SD 3.75Å; L676-M704 HydrophobicContact CB-CE 4.25Å; L676-M704 HydrophobicContact CB-CG 3.81Å; L676-M704 HydrophobicContact CB-SD 4.02Å; L676-M704 HydrophobicContact CD1-CE 4.11Å; L676-M704 HydrophobicContact CD1-SD 4.03Å; P677-M704 HydrophobicContact CG-CB 4.04Å; P677-M704 HydrophobicContact CG-CG 3.62Å; L680-M704 HydrophobicContact CD1-CB 4.07Å; A700-M704 PolarHBondContact O-N 3.5Å; L701-M704 PolarHBondContact O-N 3.32Å; M704-K706 PolarHBondContact O-N 2.82Å; M704-V707 PolarHBondContact O-N 3.08Å; M704-V708 PolarHBondContact O-N 2.87Å
705	S	96.9	Very high	95	Very high	29 Å²	29	49.2 Å²	49.2	20%	0.203	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-19.3	173.9	-62.8	0	0	0	0	113.4	L701 A703 R709	L701-S705 WeakPolarHBondContact O-CB 3.47Å; L701-S705 PolarHBondContact O-N 3.31Å; L701-S705 PolarHBondContact O-OG 2.89Å; A703-S705 PolarHBondContact O-N 3.42Å; S705-R709 WeakPolarHBondContact O-CG 3.4Å; S705-R709 PolarHBondContact O-N 2.84Å; S705-R709 PolarHBondContact O-NE 3.5Å; S705-R709 VanDerWaalsContact O-NE 3.09Å
706	K	97.3	Very high	94.7	Very high	128 Å²	128	49.9 Å²	49.9	56%	0.557	24%	0.237	S	C	*	.	H	α-helix	trans	-73.7	-40.6	167.7	-172.7	-177.2	178.3	-175.9	0	110.9	Q702 A703 M704 R709 K710	Q702-K706 WeakPolarHBondContact O-CB 3.35Å; Q702-K706 PolarHBondContact O-N 3.28Å; A703-K706 WeakPolarHBondContact O-CA 3.5Å; A703-K706 VanDerWaalsContact O-CB 3.27Å; A703-K706 WeakPolarHBondContact O-CB 3.38Å; A703-K706 PolarHBondContact O-N 3.06Å; M704-K706 PolarHBondContact O-N 2.82Å; K706-R709 PolarHBondContact O-N 3.28Å; K706-K710 WeakPolarHBondContact O-CG 3.37Å; K706-K710 PolarHBondContact O-N 3.41Å
707	V	97.3	Very high	94.3	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-47	174.8	-173	0	0	0	0	111.1	A612 F616 I620 I673 A703 M704 R709 K710 C711	A612-V707 HydrophobicContact CB-CG2 4.17Å; A612-V707 VanDerWaalsContact O-CG2 3.28Å; A612-V707 WeakPolarHBondContact O-CG2 3.05Å; F616-V707 HydrophobicContact CB-CG1 4.29Å; I620-V707 HydrophobicContact CG1-CG1 4.12Å; I673-V707 HydrophobicContact CD1-CB 4.31Å; I673-V707 HydrophobicContact CD1-CG1 3.79Å; I673-V707 HydrophobicContact CG1-CB 4.48Å; I673-V707 HydrophobicContact CG1-CG1 3.92Å; A703-V707 PolarHBondContact O-N 2.7Å; A703-V707 VanDerWaalsContact O-N 3.1Å; M704-V707 PolarHBondContact O-N 3.08Å; V707-R709 VanDerWaalsContact C-N 3.3Å; V707-R709 PolarHBondContact O-N 3.09Å; V707-K710 WeakPolarHBondContact O-CA 3.35Å; V707-K710 WeakPolarHBondContact O-CB 3.16Å; V707-K710 PolarHBondContact O-N 2.98Å; V707-K710 VanDerWaalsContact O-N 3.07Å; V707-C711 PolarHBondContact O-N 3.01Å; V707-C711 PolarHBondContact O-SG 3.05Å; V707-C711 VanDerWaalsContact O-SG 3.34Å
708	V	96	Very high	93.7	Very high	10 Å²	10	52.4 Å²	52.4	6%	0.061	25%	0.25	C	C	.	.	H	α-helix	trans	-56.8	-42.8	176.9	175.1	0	0	0	0	111.9	I673 T674 P677 M704 C711 N712	I673-V708 HydrophobicContact CG1-CG2 4.23Å; I673-V708 WeakPolarHBondContact O-CG2 3.5Å; T674-V708 HydrophobicContact CG2-CG1 4.17Å; P677-V708 HydrophobicContact CG-CG2 4.04Å; M704-V708 PolarHBondContact O-N 2.87Å; V708-C711 WeakPolarHBondContact O-CB 3.47Å; V708-C711 PolarHBondContact O-N 3.47Å; V708-N712 PolarHBondContact O-N 3.32Å
709	R	95.1	Very high	93.1	Very high	127 Å²	127	53.7 Å²	53.7	48%	0.479	26%	0.257	S	S	.	.	H	α-helix	trans	-66.1	-38.6	175.3	-73.8	-178.5	-62.9	162.3	-1.4	113	E466 S705 K706 V707 C711 N712 E713	E466-R709 WeakPolarHBondContact OE1-CD 3.49Å; E466-R709 VanDerWaalsContact OE1-CG 3.24Å; E466-R709 WeakPolarHBondContact OE1-CG 3.24Å; S705-R709 WeakPolarHBondContact O-CG 3.4Å; S705-R709 PolarHBondContact O-N 2.84Å; S705-R709 PolarHBondContact O-NE 3.5Å; S705-R709 VanDerWaalsContact O-NE 3.09Å; K706-R709 PolarHBondContact O-N 3.28Å; V707-R709 VanDerWaalsContact C-N 3.3Å; V707-R709 PolarHBondContact O-N 3.09Å; R709-C711 VanDerWaalsContact C-N 3.34Å; R709-C711 PolarHBondContact O-N 2.89Å; R709-N712 PolarHBondContact O-N 3.48Å; R709-E713 PolarHBondContact O-N 2.83Å
710	K	95.5	Very high	92.7	Very high	85 Å²	85	52.1 Å²	52.1	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-44.5	170.6	-69.7	-172.3	-170	-179.2	0	110.9	D617 I620 K706 V707 G714	D617-K710 IonicContact OD1-NZ 2.82Å; D617-K710 PolarHBondContact OD1-NZ 3Å; D617-K710 IonicContact OD2-NZ 3.75Å; I620-K710 HydrophobicContact CD1-CB 3.8Å; I620-K710 HydrophobicContact CD1-CD 3.28Å; I620-K710 HydrophobicContact CD1-CG 4.24Å; I620-K710 HydrophobicContact CG1-CB 3.98Å; I620-K710 HydrophobicContact CG1-CD 4.32Å; I620-K710 HydrophobicContact CG2-CB 4.07Å; K706-K710 WeakPolarHBondContact O-CG 3.37Å; K706-K710 PolarHBondContact O-N 3.41Å; V707-K710 WeakPolarHBondContact O-CA 3.35Å; V707-K710 WeakPolarHBondContact O-CB 3.16Å; V707-K710 PolarHBondContact O-N 2.98Å; V707-K710 VanDerWaalsContact O-N 3.07Å; K710-G714 PolarHBondContact O-N 2.7Å
711	C	93.6	Very high	92.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-46.7	177	-64.1	0	0	0	0	112.1	C623 V707 V708 R709 G714 A715	C623-C711 HydrophobicContact CB-CB 3.84Å; V707-C711 PolarHBondContact O-N 3.01Å; V707-C711 PolarHBondContact O-SG 3.05Å; V707-C711 VanDerWaalsContact O-SG 3.34Å; V708-C711 WeakPolarHBondContact O-CB 3.47Å; V708-C711 PolarHBondContact O-N 3.47Å; R709-C711 VanDerWaalsContact C-N 3.34Å; R709-C711 PolarHBondContact O-N 2.89Å; C711-G714 PolarHBondContact O-N 2.73Å; C711-A715 PolarHBondContact O-N 3.13Å
712	N	89.9	Confident	91.4	Very high	59 Å²	59	55.1 Å²	55.1	32%	0.316	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-46.3	-178.7	-70.7	-11.3	0	0	0	112.5	V708 R709 G714 A715 R716	V708-N712 PolarHBondContact O-N 3.32Å; R709-N712 PolarHBondContact O-N 3.48Å; N712-G714 VanDerWaalsContact C-N 3.32Å; N712-A715 PolarHBondContact O-N 3.5Å; N712-R716 WeakPolarHBondContact O-CB 3.1Å; N712-R716 PolarHBondContact O-N 2.98Å
713	E	91.3	Very high	90.8	Very high	73 Å²	73	52.4 Å²	52.4	34%	0.341	25%	0.253	S	S	.	.	H	α-helix	trans	-71.4	-29.8	178.4	-166.8	60.1	-149.5	0	0	111.9	R709 R716 T717 R720	R709-E713 PolarHBondContact O-N 2.83Å; E713-R716 WeakPolarHBondContact OE2-CD 3.35Å; E713-R716 IonicContact OE2-CZ 2.7Å; E713-R716 IonicContact OE2-NE 2.87Å; E713-R716 IonicContact OE2-NH1 3.5Å; E713-R716 PolarHBondContact OE2-NH1 2.9Å; E713-T717 VanDerWaalsContact O-CB 3.23Å; E713-T717 WeakPolarHBondContact O-CB 3.35Å; E713-T717 PolarHBondContact O-N 3.13Å; E713-T717 PolarHBondContact O-OG1 2.91Å; E713-R720 IonicContact OE1-CZ 2.56Å; E713-R720 IonicContact OE1-NH1 2.67Å; E713-R720 PolarHBondContact OE1-NH1 2.86Å; E713-R720 IonicContact OE1-NH2 2.7Å
714	G	89.5	Confident	90.3	Very high	17 Å²	17	52 Å²	52	18%	0.175	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-50	171.1	0	0	0	0	0	112.6	S624 K710 C711 N712 R716 T717 M718	S624-G714 VanDerWaalsContact OG-CA 3.31Å; S624-G714 WeakPolarHBondContact OG-CA 3.43Å; K710-G714 PolarHBondContact O-N 2.7Å; C711-G714 PolarHBondContact O-N 2.73Å; N712-G714 VanDerWaalsContact C-N 3.32Å; G714-R716 PolarHBondContact O-N 3.48Å; G714-T717 PolarHBondContact O-N 2.99Å; G714-M718 PolarHBondContact O-N 2.7Å
715	A	87.2	Confident	89.8	Confident	21 Å²	21	59.3 Å²	59.3	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-44.2	174.8	0	0	0	0	0	112.3	C711 N712 T717 M718 E719	C711-A715 PolarHBondContact O-N 3.13Å; N712-A715 PolarHBondContact O-N 3.5Å; A715-T717 VanDerWaalsContact C-N 3.33Å; A715-T717 PolarHBondContact O-N 2.69Å; A715-M718 WeakPolarHBondContact O-CB 3.36Å; A715-M718 PolarHBondContact O-N 3.18Å; A715-E719 PolarHBondContact O-N 2.73Å
716	R	86.8	Confident	89.3	Confident	107 Å²	107	60.8 Å²	60.8	40%	0.404	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-39.8	175.2	-173.7	-172.2	-76.1	165.3	-15	112.2	N712 E713 G714 R720	N712-R716 WeakPolarHBondContact O-CB 3.1Å; N712-R716 PolarHBondContact O-N 2.98Å; E713-R716 WeakPolarHBondContact OE2-CD 3.35Å; E713-R716 IonicContact OE2-CZ 2.7Å; E713-R716 IonicContact OE2-NE 2.87Å; E713-R716 IonicContact OE2-NH1 3.5Å; E713-R716 PolarHBondContact OE2-NH1 2.9Å; G714-R716 PolarHBondContact O-N 3.48Å; R716-R720 WeakPolarHBondContact O-CD 3.26Å; R716-R720 WeakPolarHBondContact O-CG 3.37Å; R716-R720 PolarHBondContact O-N 3.47Å
717	T	86.8	Confident	89	Confident	56 Å²	56	54.8 Å²	54.8	34%	0.344	26%	0.26	S	S	.	.	H	α-helix	trans	-68.8	-37	176.5	-61	0	0	0	0	111.4	E713 G714 A715 T721	E713-T717 VanDerWaalsContact O-CB 3.23Å; E713-T717 WeakPolarHBondContact O-CB 3.35Å; E713-T717 PolarHBondContact O-N 3.13Å; E713-T717 PolarHBondContact O-OG1 2.91Å; G714-T717 PolarHBondContact O-N 2.99Å; A715-T717 VanDerWaalsContact C-N 3.33Å; A715-T717 PolarHBondContact O-N 2.69Å; T717-T721 WeakPolarHBondContact O-CB 3.27Å; T717-T721 PolarHBondContact O-N 3.48Å; T717-T721 PolarHBondContact O-OG1 3.12Å
718	M	84.1	Confident	88.6	Confident	52 Å²	52	56.8 Å²	56.8	26%	0.256	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-48.3	175.2	-157.4	68.6	74.3	0	0	111.8	S624 Y628 G714 A715 R720 T721 E722	S624-M718 VanDerWaalsContact O-CB 3.32Å; S624-M718 WeakPolarHBondContact O-CB 3.21Å; S624-M718 WeakPolarHBondContact O-CG 3.39Å; Y628-M718 HydrophobicContact CD2-CG 4.11Å; Y628-M718 HydrophobicContact CE2-CG 3.4Å; Y628-M718 HydrophobicContact CE2-SD 3.67Å; G714-M718 PolarHBondContact O-N 2.7Å; A715-M718 WeakPolarHBondContact O-CB 3.36Å; A715-M718 PolarHBondContact O-N 3.18Å; M718-R720 PolarHBondContact O-N 3.45Å; M718-T721 PolarHBondContact O-N 2.98Å; M718-T721 VanDerWaalsContact O-N 3.14Å; M718-E722 PolarHBondContact O-N 2.66Å
719	E	83.9	Confident	88.2	Confident	98 Å²	98	60.9 Å²	60.9	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-59.1	-44.9	176.4	-177.8	-178.7	-150.7	0	0	111.9	A715 T721 M723	A715-E719 PolarHBondContact O-N 2.73Å; E719-T721 VanDerWaalsContact C-N 3.34Å; E719-T721 PolarHBondContact O-N 2.81Å; E719-M723 VanDerWaalsContact O-CB 3.27Å; E719-M723 WeakPolarHBondContact O-CB 3.4Å; E719-M723 PolarHBondContact O-N 2.75Å
720	R	86.6	Confident	87.9	Confident	66 Å²	66	56 Å²	56	25%	0.249	28%	0.282	C	S	.	.	H	α-helix	trans	-57.8	-45.6	173.4	-73.1	166.4	172.6	152.2	-3.7	111.8	E713 R716 M718 M723 M724 W746	E713-R720 IonicContact OE1-CZ 2.56Å; E713-R720 IonicContact OE1-NH1 2.67Å; E713-R720 PolarHBondContact OE1-NH1 2.86Å; E713-R720 IonicContact OE1-NH2 2.7Å; R716-R720 WeakPolarHBondContact O-CD 3.26Å; R716-R720 WeakPolarHBondContact O-CG 3.37Å; R716-R720 PolarHBondContact O-N 3.47Å; M718-R720 PolarHBondContact O-N 3.45Å; R720-M723 WeakPolarHBondContact O-CB 3.45Å; R720-M723 PolarHBondContact O-N 2.94Å; R720-M724 WeakPolarHBondContact O-CG 3.5Å; R720-M724 PolarHBondContact O-N 3.45Å; R720-W746 HydrophobicContact CB-CB 4.16Å; R720-W746 HydrophobicContact CG-CB 3.74Å
721	T	85.2	Confident	87.7	Confident	51 Å²	51	52.5 Å²	52.5	31%	0.313	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-44.3	-176.8	-57.4	0	0	0	0	111.5	T717 M718 E719 M723 M724 Y725	T717-T721 WeakPolarHBondContact O-CB 3.27Å; T717-T721 PolarHBondContact O-N 3.48Å; T717-T721 PolarHBondContact O-OG1 3.12Å; M718-T721 PolarHBondContact O-N 2.98Å; M718-T721 VanDerWaalsContact O-N 3.14Å; E719-T721 VanDerWaalsContact C-N 3.34Å; E719-T721 PolarHBondContact O-N 2.81Å; T721-M723 VanDerWaalsContact C-N 3.33Å; T721-M723 PolarHBondContact O-N 3.44Å; T721-M724 WeakPolarHBondContact O-CB 3.28Å; T721-M724 PolarHBondContact O-N 2.85Å; T721-Y725 PolarHBondContact O-N 3.36Å
722	E	82.4	Confident	87.4	Confident	42 Å²	42	56.8 Å²	56.8	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-41.7	172.9	-176.1	-175.6	-147.2	0	0	111.8	Y628 R631 M718 M724 Y725 T726	Y628-E722 HydrophobicContact CE1-CG 4.26Å; R631-E722 IonicContact CZ-OE1 3.79Å; R631-E722 IonicContact CZ-OE2 3.52Å; R631-E722 IonicContact NH1-OE1 2.68Å; R631-E722 PolarHBondContact NH1-OE1 2.92Å; R631-E722 IonicContact NH1-OE2 3.61Å; R631-E722 PolarHBondContact NH1-OE2 2.89Å; R631-E722 IonicContact NH2-OE1 2.7Å; R631-E722 IonicContact NH2-OE2 2.82Å; R631-E722 PolarHBondContact NH2-OE2 2.6Å; M718-E722 PolarHBondContact O-N 2.66Å; E722-M724 VanDerWaalsContact C-N 3.3Å; E722-M724 PolarHBondContact O-N 3.11Å; E722-Y725 PolarHBondContact O-N 3.12Å; E722-T726 WeakPolarHBondContact O-CB 3.32Å; E722-T726 PolarHBondContact O-N 2.95Å; E722-T726 PolarHBondContact O-OG1 3.45Å
723	M	85.3	Confident	87.2	Confident	67 Å²	67	56.3 Å²	56.3	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-36.4	176.1	-170.3	-179	-63.8	0	0	111.6	E719 R720 T721 T726 I727 M747	E719-M723 VanDerWaalsContact O-CB 3.27Å; E719-M723 WeakPolarHBondContact O-CB 3.4Å; E719-M723 PolarHBondContact O-N 2.75Å; R720-M723 WeakPolarHBondContact O-CB 3.45Å; R720-M723 PolarHBondContact O-N 2.94Å; T721-M723 VanDerWaalsContact C-N 3.33Å; T721-M723 PolarHBondContact O-N 3.44Å; M723-T726 PolarHBondContact O-N 3.42Å; M723-I727 HydrophobicContact CG-CD1 4Å; M723-I727 WeakPolarHBondContact O-CD1 3.43Å; M723-I727 VanDerWaalsContact O-CG1 3.26Å; M723-I727 WeakPolarHBondContact O-CG1 3.45Å; M723-I727 PolarHBondContact O-N 3.2Å; M723-M747 HydrophobicContact SD-CB 4Å; M723-M747 HydrophobicContact SD-CE 3.63Å
724	M	88.6	Confident	86.6	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-43.4	172.3	-64.3	-51	87.8	0	0	111.3	R720 T721 E722 I727 S728 V741 R745 M747 F777	R720-M724 WeakPolarHBondContact O-CG 3.5Å; R720-M724 PolarHBondContact O-N 3.45Å; T721-M724 WeakPolarHBondContact O-CB 3.28Å; T721-M724 PolarHBondContact O-N 2.85Å; E722-M724 VanDerWaalsContact C-N 3.3Å; E722-M724 PolarHBondContact O-N 3.11Å; M724-I727 HydrophobicContact CE-CD1 4.21Å; M724-I727 PolarHBondContact O-N 3.21Å; M724-S728 VanDerWaalsContact O-CB 3.28Å; M724-S728 WeakPolarHBondContact O-CB 3.15Å; M724-S728 PolarHBondContact O-N 3.21Å; M724-V741 HydrophobicContact CB-CG2 4.43Å; M724-R745 HydrophobicContact SD-CB 4.34Å; M724-R745 HydrophobicContact SD-CG 3.95Å; M724-M747 HydrophobicContact CE-CB 3.95Å; M724-M747 VanDerWaalsContact CE-N 3.35Å; M724-F777 HydrophobicContact CE-CD1 4Å; M724-F777 HydrophobicContact CE-CE1 3.72Å; M724-F777 HydrophobicContact SD-CD1 3.66Å; M724-F777 HydrophobicContact SD-CE1 3.56Å; M724-F777 VanDerWaalsContact SD-CE1 3.56Å
725	Y	86.2	Confident	86.1	Confident	154 Å²	154	61.4 Å²	61.4	60%	0.604	30%	0.3	S	S	*	.	H	α-helix	trans	-63.5	-44.8	176.8	-174.4	-97.6	0	0	0	112	T721 E722 I727 S728 T729	T721-Y725 PolarHBondContact O-N 3.36Å; E722-Y725 PolarHBondContact O-N 3.12Å; Y725-I727 PolarHBondContact O-N 2.95Å; Y725-S728 WeakPolarHBondContact O-CA 3.34Å; Y725-S728 WeakPolarHBondContact O-CB 3.49Å; Y725-S728 PolarHBondContact O-N 3.26Å; Y725-S728 VanDerWaalsContact O-N 3.09Å; Y725-T729 HydrophobicContact CE1-CG2 4.08Å; Y725-T729 PolarHBondContact O-N 3.05Å; Y725-T729 VanDerWaalsContact O-N 3.08Å
726	T	87.6	Confident	85.8	Confident	61 Å²	61	67.7 Å²	67.7	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-44.7	178.2	-54.9	0	0	0	0	111.4	E722 M723 S728 T729 Q730	E722-T726 WeakPolarHBondContact O-CB 3.32Å; E722-T726 PolarHBondContact O-N 2.95Å; E722-T726 PolarHBondContact O-OG1 3.45Å; M723-T726 PolarHBondContact O-N 3.42Å; T726-S728 VanDerWaalsContact C-N 3.3Å; T726-S728 PolarHBondContact O-N 2.75Å; T726-T729 PolarHBondContact O-N 3.03Å; T726-T729 PolarHBondContact O-OG1 3.23Å; T726-Q730 WeakPolarHBondContact O-CG 3.49Å; T726-Q730 PolarHBondContact O-N 2.85Å
727	I	89.4	Confident	85.3	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-66.9	-36.4	175	-62	162.5	0	0	0	110.1	M723 M724 Y725 T729 Q730 L731 L740 M747 F775 F777	M723-I727 HydrophobicContact CG-CD1 4Å; M723-I727 WeakPolarHBondContact O-CD1 3.43Å; M723-I727 VanDerWaalsContact O-CG1 3.26Å; M723-I727 WeakPolarHBondContact O-CG1 3.45Å; M723-I727 PolarHBondContact O-N 3.2Å; M724-I727 HydrophobicContact CE-CD1 4.21Å; M724-I727 PolarHBondContact O-N 3.21Å; Y725-I727 PolarHBondContact O-N 2.95Å; I727-T729 VanDerWaalsContact C-N 3.27Å; I727-T729 PolarHBondContact O-N 3.1Å; I727-Q730 PolarHBondContact O-N 3.43Å; I727-L731 HydrophobicContact CG2-CD1 4.15Å; I727-L731 HydrophobicContact CG2-CD2 4.46Å; I727-L731 HydrophobicContact CG2-CG 3.98Å; I727-L731 WeakPolarHBondContact O-CG 3.45Å; I727-L731 PolarHBondContact O-N 3.41Å; I727-L740 HydrophobicContact CB-CD2 4.01Å; I727-L740 HydrophobicContact CG2-CD2 3.77Å; I727-M747 HydrophobicContact CD1-CB 4.28Å; I727-M747 HydrophobicContact CD1-CG 4.44Å; I727-M747 HydrophobicContact CD1-SD 3.61Å; I727-F775 HydrophobicContact CD1-CD1 4.15Å; I727-F775 HydrophobicContact CG1-CD1 4.25Å; I727-F775 HydrophobicContact CG1-CE1 4.16Å; I727-F775 HydrophobicContact CG2-CD1 3.68Å; I727-F775 HydrophobicContact CG2-CE1 3.75Å; I727-F775 HydrophobicContact CG2-CG 4.24Å; I727-F775 HydrophobicContact CG2-CZ 4.37Å; I727-F777 HydrophobicContact CD1-CE1 4.14Å; I727-F777 HydrophobicContact CD1-CZ 4.32Å; I727-F777 HydrophobicContact CG2-CZ 4.22Å
728	S	88.8	Confident	84.8	Confident	44 Å²	44	65.9 Å²	65.9	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-25.4	179.3	-162.6	0	0	0	0	114.1	M724 Y725 T726	M724-S728 VanDerWaalsContact O-CB 3.28Å; M724-S728 WeakPolarHBondContact O-CB 3.15Å; M724-S728 PolarHBondContact O-N 3.21Å; Y725-S728 WeakPolarHBondContact O-CA 3.34Å; Y725-S728 WeakPolarHBondContact O-CB 3.49Å; Y725-S728 PolarHBondContact O-N 3.26Å; Y725-S728 VanDerWaalsContact O-N 3.09Å; T726-S728 VanDerWaalsContact C-N 3.3Å; T726-S728 PolarHBondContact O-N 2.75Å
729	T	88.3	Confident	84.8	Confident	96 Å²	96	68.2 Å²	68.2	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-85.2	-22.9	172.2	59	0	0	0	0	112.7	Y725 T726 I727	Y725-T729 HydrophobicContact CE1-CG2 4.08Å; Y725-T729 PolarHBondContact O-N 3.05Å; Y725-T729 VanDerWaalsContact O-N 3.08Å; T726-T729 PolarHBondContact O-N 3.03Å; T726-T729 PolarHBondContact O-OG1 3.23Å; I727-T729 VanDerWaalsContact C-N 3.27Å; I727-T729 PolarHBondContact O-N 3.1Å
730	Q	89.8	Confident	84.9	Confident	24 Å²	24	63.7 Å²	63.7	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-78.6	-24.8	174.3	-66.9	-174.6	-19.8	0	0	113.4	T726 I727 D790 H792	T726-Q730 WeakPolarHBondContact O-CG 3.49Å; T726-Q730 PolarHBondContact O-N 2.85Å; I727-Q730 PolarHBondContact O-N 3.43Å; Q730-D790 WeakPolarHBondContact CA-O 3.36Å; Q730-D790 WeakPolarHBondContact CB-O 3.35Å; Q730-D790 HydrophobicContact CG-CB 4.42Å; Q730-D790 WeakPolarHBondContact CG-O 3.46Å; Q730-D790 PolarHBondContact NE2-OD1 2.84Å; Q730-H792 PolarHBondContact O-N 3.23Å
731	L	90.5	Very high	84.8	Confident	13 Å²	13	64.1 Å²	64.1	7%	0.068	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119	-178.9	-66.9	-167.7	0	0	0	113.5	I727 F733 L740 F775 I782 T784 H792 V794	I727-L731 HydrophobicContact CG2-CD1 4.15Å; I727-L731 HydrophobicContact CG2-CD2 4.46Å; I727-L731 HydrophobicContact CG2-CG 3.98Å; I727-L731 WeakPolarHBondContact O-CG 3.45Å; I727-L731 PolarHBondContact O-N 3.41Å; L731-F733 HydrophobicContact CB-CE2 3.96Å; L731-F733 HydrophobicContact CB-CZ 4.43Å; L731-F733 HydrophobicContact CD1-CE2 4.26Å; L731-F733 HydrophobicContact CD1-CZ 3.94Å; L731-L740 HydrophobicContact CD1-CD2 4.06Å; L731-F775 HydrophobicContact CD2-CD2 4.05Å; L731-F775 HydrophobicContact CD2-CE2 3.73Å; L731-F775 HydrophobicContact CD2-CZ 4.29Å; L731-I782 HydrophobicContact CD1-CD1 3.9Å; L731-I782 HydrophobicContact CD1-CG2 4.22Å; L731-T784 HydrophobicContact CD2-CG2 3.76Å; L731-H792 WeakPolarHBondContact CA-O 3.11Å; L731-H792 HydrophobicContact CD2-CB 3.91Å; L731-V794 HydrophobicContact CB-CG2 4.01Å; L731-V794 HydrophobicContact CD1-CG2 4.05Å; L731-V794 HydrophobicContact CD2-CG2 4.03Å; L731-V794 HydrophobicContact CG-CG2 4.25Å
732	Q	87.3	Confident	84.9	Confident	90 Å²	90	63.4 Å²	63.4	42%	0.421	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	107.8	167	-177.5	162.4	52.4	0	0	110.4	H792 T793 V794	Q732-H792 PolarHBondContact N-O 3.16Å; Q732-T793 WeakPolarHBondContact O-CA 3.37Å; Q732-V794 PolarHBondContact O-N 2.58Å
733	F	84.9	Confident	84.7	Confident	49 Å²	49	66.9 Å²	66.9	22%	0.215	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.9	175.5	-68	-90.5	0	0	0	111.2	L731 F738 V794	L731-F733 HydrophobicContact CB-CE2 3.96Å; L731-F733 HydrophobicContact CB-CZ 4.43Å; L731-F733 HydrophobicContact CD1-CE2 4.26Å; L731-F733 HydrophobicContact CD1-CZ 3.94Å; F733-F738 HydrophobicContact CD1-CB 4.42Å; F733-F738 HydrophobicContact CE1-CB 3.56Å; F733-F738 HydrophobicContact CZ-CB 3.87Å; F733-V794 HydrophobicContact CD1-CB 3.93Å; F733-V794 HydrophobicContact CD1-CG1 3.98Å; F733-V794 HydrophobicContact CD1-CG2 3.82Å; F733-V794 HydrophobicContact CD2-CG2 4.47Å; F733-V794 HydrophobicContact CE1-CB 4.22Å; F733-V794 HydrophobicContact CE1-CG1 4.02Å; F733-V794 HydrophobicContact CE1-CG2 3.77Å; F733-V794 HydrophobicContact CE2-CG2 4.44Å; F733-V794 HydrophobicContact CG-CB 4.45Å; F733-V794 HydrophobicContact CG-CG2 4.17Å; F733-V794 HydrophobicContact CZ-CG2 4.09Å
734	K	78.5	Confident	84.7	Confident	165 Å²	165	67 Å²	67	72%	0.717	37%	0.365	S	S	*	.	S	Bend	trans	-95.5	-26.1	166.6	-74	-172.6	177.9	-174.3	0	113.1	T793	K734-T793 HydrophobicContact CD-CG2 3.61Å; K734-T793 HydrophobicContact CG-CG2 3.87Å
735	I	80.4	Confident	84.8	Confident	31 Å²	31	68.1 Å²	68.1	16%	0.159	37%	0.369	C	S	.	.	S	Bend	trans	-89.2	-178.7	171.1	59.6	165.1	0	0	0	110.4	V794 Y797 H844	I735-V794 HydrophobicContact CD1-CG1 4.28Å; I735-V794 HydrophobicContact CG1-CG1 4.38Å; I735-Y797 HydrophobicContact CD1-CD1 3.68Å; I735-Y797 HydrophobicContact CD1-CE1 3.67Å; I735-Y797 HydrophobicContact CG1-CE1 4.4Å; I735-H844 HydrophobicContact CB-CB 4.26Å; I735-H844 HydrophobicContact CD1-CB 4.45Å; I735-H844 HydrophobicContact CG2-CB 4.35Å
736	K	79.4	Confident	84.9	Confident	154 Å²	154	65.6 Å²	65.6	67%	0.67	36%	0.359	S	S	*	.	S	Bend	trans	-47.2	122.2	176.7	-175.1	175.9	-178.4	177.5	0	111.1	F738 Y797	K736-F738 PolarHBondContact O-N 2.84Å; K736-Y797 PolarHBondContact O-OH 2.83Å
737	P	76.7	Confident	85.1	Confident	101 Å²	101	64.6 Å²	64.6	66%	0.656	35%	0.351	S	S	*	.			trans	-55.8	137.5	-178	-27.9	35.3	0	0	0	112.8
738	F	77.9	Confident	85.2	Confident	24 Å²	24	68.1 Å²	68.1	11%	0.105	37%	0.372	C	S	.	.			trans	-104.9	128.9	174.7	-179.8	-100.7	0	0	0	109.6	F733 K736 L740 V780 I782 Y797	F733-F738 HydrophobicContact CD1-CB 4.42Å; F733-F738 HydrophobicContact CE1-CB 3.56Å; F733-F738 HydrophobicContact CZ-CB 3.87Å; K736-F738 PolarHBondContact O-N 2.84Å; F738-L740 VanDerWaalsContact C-N 3.33Å; F738-L740 HydrophobicContact CD1-CB 4.39Å; F738-L740 HydrophobicContact CD1-CD1 4.15Å; F738-L740 HydrophobicContact CE1-CD1 4.11Å; F738-L740 PolarHBondContact O-N 2.86Å; F738-V780 HydrophobicContact CE1-CG1 3.84Å; F738-V780 HydrophobicContact CE1-CG2 4.37Å; F738-V780 HydrophobicContact CE2-CG2 4.18Å; F738-V780 HydrophobicContact CZ-CB 4Å; F738-V780 HydrophobicContact CZ-CG1 3.77Å; F738-V780 HydrophobicContact CZ-CG2 3.85Å; F738-I782 HydrophobicContact CD1-CD1 4.15Å; F738-I782 HydrophobicContact CE1-CD1 4.45Å; F738-Y797 HydrophobicContact CB-CD1 4.27Å; F738-Y797 HydrophobicContact CB-CE1 3.86Å; F738-Y797 HydrophobicContact CB-CE2 4.32Å; F738-Y797 AromaticContact CD2-CD2 3.84Å; F738-Y797 HydrophobicContact CD2-CD2 3.84Å; F738-Y797 AromaticContact CD2-CE2 3.45Å; F738-Y797 HydrophobicContact CD2-CE2 3.45Å; F738-Y797 VanDerWaalsContact CD2-CE2 3.45Å; F738-Y797 AromaticContact CD2-CZ 3.83Å; F738-Y797 HydrophobicContact CE2-CD2 4.26Å; F738-Y797 HydrophobicContact CE2-CE2 4.11Å; F738-Y797 HydrophobicContact CG-CD2 4.41Å; F738-Y797 HydrophobicContact CG-CE2 4.2Å
739	P	83.1	Confident	85.4	Confident	101 Å²	101	73.1 Å²	73.1	66%	0.656	39%	0.388	S	S	*	.			trans	-72.3	88.4	176.4	29.8	-33.5	0	0	0	109.7	R745	P739-R745 PolarHBondContact O-NH1 3.34Å
740	L	85.4	Confident	85.6	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.016	38%	0.382	C	S	.	.			trans	-67.9	-44.7	-174	-171.7	71.1	0	0	0	112.6	I727 L731 F738 S742 R745 F777 I782	I727-L740 HydrophobicContact CB-CD2 4.01Å; I727-L740 HydrophobicContact CG2-CD2 3.77Å; L731-L740 HydrophobicContact CD1-CD2 4.06Å; F738-L740 VanDerWaalsContact C-N 3.33Å; F738-L740 HydrophobicContact CD1-CB 4.39Å; F738-L740 HydrophobicContact CD1-CD1 4.15Å; F738-L740 HydrophobicContact CE1-CD1 4.11Å; F738-L740 PolarHBondContact O-N 2.86Å; L740-S742 PolarHBondContact O-N 3.03Å; L740-R745 PolarHBondContact O-NH1 3.33Å; L740-F777 HydrophobicContact CD1-CE1 4.06Å; L740-F777 HydrophobicContact CD1-CE2 3.95Å; L740-F777 HydrophobicContact CD1-CZ 3.65Å; L740-F777 HydrophobicContact CD2-CZ 4.43Å; L740-F777 HydrophobicContact CG-CZ 4.5Å; L740-I782 HydrophobicContact CD1-CD1 3.51Å
741	V	85.4	Confident	85.6	Confident	74 Å²	74	74.4 Å²	74.4	45%	0.448	39%	0.39	S	S	.	.			trans	-73.3	112.3	-178.2	-175.1	0	0	0	0	109.1	M724	M724-V741 HydrophobicContact CB-CG2 4.43Å
742	S	86.1	Confident	85.7	Confident	36 Å²	36	78.1 Å²	78.1	25%	0.252	41%	0.407	S	S	.	.			trans	-144.2	141.7	174.2	177.9	0	0	0	0	108.8	L740 S744 R745	L740-S742 PolarHBondContact O-N 3.03Å; S742-S744 PolarHBondContact O-N 3.37Å; S742-S744 PolarHBondContact OG-N 3.25Å; S742-S744 PolarHBondContact OG-OG 2.96Å; S742-R745 PolarHBondContact O-N 2.89Å; S742-R745 VanDerWaalsContact O-N 3.13Å
743	S	79.1	Confident	85.8	Confident	116 Å²	116	75.4 Å²	75.4	81%	0.811	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.9	174.9	52.4	0	0	0	0	113.3
744	S	85.9	Confident	86	Confident	69 Å²	69	73.3 Å²	73.3	48%	0.483	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.8	177.1	61.7	0	0	0	0	114.5	S742 N778	S742-S744 PolarHBondContact O-N 3.37Å; S742-S744 PolarHBondContact OG-N 3.25Å; S742-S744 PolarHBondContact OG-OG 2.96Å; S744-N778 PolarHBondContact O-ND2 3.47Å
745	R	89.7	Confident	86.5	Confident	24 Å²	24	65.5 Å²	65.5	9%	0.091	35%	0.353	C	S	.	.			trans	-111.1	136.3	-173.5	-169.5	170.6	-62.3	118.7	2.5	112.7	M724 P739 L740 S742 F777 N778 D779	M724-R745 HydrophobicContact SD-CB 4.34Å; M724-R745 HydrophobicContact SD-CG 3.95Å; P739-R745 PolarHBondContact O-NH1 3.34Å; L740-R745 PolarHBondContact O-NH1 3.33Å; S742-R745 PolarHBondContact O-N 2.89Å; S742-R745 VanDerWaalsContact O-N 3.13Å; R745-F777 HydrophobicContact CG-CB 3.9Å; R745-F777 HydrophobicContact CG-CD1 3.87Å; R745-F777 HydrophobicContact CG-CG 4.11Å; R745-N778 VanDerWaalsContact CA-OD1 3.31Å; R745-N778 WeakPolarHBondContact CA-OD1 3.45Å; R745-D779 WeakPolarHBondContact CD-OD1 3.35Å; R745-D779 WeakPolarHBondContact CG-OD1 3.48Å; R745-D779 IonicContact CZ-OD1 2.73Å; R745-D779 IonicContact CZ-OD2 2.73Å; R745-D779 VanDerWaalsContact CZ-OD2 3.23Å; R745-D779 VanDerWaalsContact NE-CG 3.31Å; R745-D779 IonicContact NE-OD1 3.96Å; R745-D779 PolarHBondContact NE-OD1 2.91Å; R745-D779 IonicContact NE-OD2 3.49Å; R745-D779 PolarHBondContact NE-OD2 3.39Å; R745-D779 IonicContact NH2-OD2 3.8Å; R745-D779 PolarHBondContact NH2-OD2 3.43Å
746	W	88.8	Confident	86.6	Confident	101 Å²	101	64.9 Å²	64.9	38%	0.383	35%	0.349	S	S	.	.			trans	-142.5	150.5	171.2	65.1	92.2	0	0	0	111.5	R720 V748 F777 N778	R720-W746 HydrophobicContact CB-CB 4.16Å; R720-W746 HydrophobicContact CG-CB 3.74Å; W746-V748 PolarHBondContact O-N 2.85Å; W746-F777 CarbonylContact O-C 3.59Å; W746-F777 WeakPolarHBondContact O-CA 3.15Å; W746-F777 WeakPolarHBondContact O-CB 3.47Å; W746-N778 HydrophobicContact CD2-CB 3.86Å; W746-N778 HydrophobicContact CE3-CB 4.17Å; W746-N778 HydrophobicContact CG-CB 4.49Å; W746-N778 HydrophobicContact CH2-CB 3.94Å; W746-N778 HydrophobicContact CZ2-CB 3.59Å; W746-N778 HydrophobicContact CZ3-CB 4.21Å; W746-N778 WeakPolarHBondContact CZ3-ND2 3.46Å; W746-N778 PolarHBondContact N-OD1 3.47Å; W746-N778 PolarHBondContact O-N 2.87Å; W746-N778 VanDerWaalsContact O-N 3.1Å; W746-N778 PolarHBondContact O-OD1 3.44Å
747	M	91.1	Very high	86.5	Confident	41 Å²	41	60.5 Å²	60.5	20%	0.202	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.6	174.7	-172.3	176.1	75.3	0	0	109.2	M723 M724 I727 R750 F775 F777	M723-M747 HydrophobicContact SD-CB 4Å; M723-M747 HydrophobicContact SD-CE 3.63Å; M724-M747 HydrophobicContact CE-CB 3.95Å; M724-M747 VanDerWaalsContact CE-N 3.35Å; I727-M747 HydrophobicContact CD1-CB 4.28Å; I727-M747 HydrophobicContact CD1-CG 4.44Å; I727-M747 HydrophobicContact CD1-SD 3.61Å; M747-R750 HydrophobicContact CE-CB 4.35Å; M747-R750 HydrophobicContact CE-CG 3.78Å; M747-R750 HydrophobicContact SD-CB 3.66Å; M747-R750 HydrophobicContact SD-CG 3.71Å; M747-F775 HydrophobicContact SD-CD1 4.32Å; M747-F777 HydrophobicContact CB-CD1 4.17Å; M747-F777 HydrophobicContact CB-CE1 4.17Å
748	V	92.8	Very high	86.1	Confident	75 Å²	75	59.4 Å²	59.4	46%	0.455	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-38.9	173.8	173.7	0	0	0	0	110.1	W746 L776 N778	W746-V748 PolarHBondContact O-N 2.85Å; V748-L776 HydrophobicContact CB-CD2 4.47Å; V748-L776 HydrophobicContact CB-CG 4.3Å; V748-L776 HydrophobicContact CG1-CD2 4.28Å; V748-L776 PolarHBondContact N-O 3.35Å; V748-N778 HydrophobicContact CG2-CB 4.26Å
749	K	92	Very high	85.2	Confident	149 Å²	149	62.2 Å²	62.2	65%	0.648	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.5	152.9	175.3	-163.8	167.1	-178.5	178.7	0	111.5	L776	K749-L776 HydrophobicContact CB-CB 4.47Å; K749-L776 PolarHBondContact N-O 2.93Å; K749-L776 PolarHBondContact O-N 3.4Å
750	R	92.5	Very high	83.8	Confident	119 Å²	119	63 Å²	63	45%	0.449	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	160	162.4	63.4	177.8	178.8	178.7	1	111.3	M747 Y773 F774 F775	M747-R750 HydrophobicContact CE-CB 4.35Å; M747-R750 HydrophobicContact CE-CG 3.78Å; M747-R750 HydrophobicContact SD-CB 3.66Å; M747-R750 HydrophobicContact SD-CG 3.71Å; R750-Y773 HydrophobicContact CB-CE1 3.88Å; R750-Y773 WeakPolarHBondContact CD-OH 3.33Å; R750-Y773 HydrophobicContact CG-CE1 4.36Å; R750-Y773 WeakPolarHBondContact CG-OH 3.2Å; R750-F774 WeakPolarHBondContact CA-O 3.23Å; R750-F774 WeakPolarHBondContact CB-O 3.47Å; R750-F775 HydrophobicContact CB-CD1 4.02Å; R750-F775 HydrophobicContact CB-CE1 4.43Å
751	G	91.1	Very high	82.4	Confident	27 Å²	27	64.7 Å²	64.7	28%	0.278	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	163.9	175.6	0	0	0	0	0	114.1	F774	G751-F774 PolarHBondContact N-O 3.14Å; G751-F774 VanDerWaalsContact N-O 3.15Å; G751-F774 PolarHBondContact O-N 2.7Å
752	E	91.1	Very high	81	Confident	91 Å²	91	68.7 Å²	68.7	43%	0.425	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	145.6	174.7	-157.1	170.6	130.5	0	0	111.1	H771 V772 Y773	E752-H771 IonicContact OE1-CE1 2.67Å; E752-H771 IonicContact OE1-CG 2.87Å; E752-H771 IonicContact OE1-ND1 3.89Å; E752-H771 PolarHBondContact OE1-ND1 3.36Å; E752-V772 WeakPolarHBondContact CA-O 3.29Å; E752-Y773 HydrophobicContact CB-CD2 3.8Å; E752-Y773 HydrophobicContact CB-CE2 4.31Å; E752-Y773 HydrophobicContact CG-CD2 4.28Å
753	L	90.4	Very high	79.5	Confident	33 Å²	33	76.3 Å²	76.3	17%	0.173	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155	173.2	-68.7	176.3	0	0	0	109.4	V772 F774 F836 L853 T855	L753-V772 HydrophobicContact CB-CG2 4.48Å; L753-V772 PolarHBondContact N-O 2.8Å; L753-V772 VanDerWaalsContact O-CG2 3.24Å; L753-V772 WeakPolarHBondContact O-CG2 3.41Å; L753-V772 PolarHBondContact O-N 3.48Å; L753-V772 VanDerWaalsContact O-O 3.06Å; L753-F774 HydrophobicContact CB-CD2 4.28Å; L753-F774 HydrophobicContact CB-CE2 4.09Å; L753-F774 HydrophobicContact CD1-CD2 3.85Å; L753-F774 HydrophobicContact CD1-CE2 3.84Å; L753-F774 HydrophobicContact CG-CD2 4.29Å; L753-F774 HydrophobicContact CG-CE2 4.42Å; L753-F836 HydrophobicContact CD1-CE1 3.96Å; L753-F836 HydrophobicContact CD1-CZ 3.67Å; L753-L853 HydrophobicContact CD1-CB 4.42Å; L753-L853 HydrophobicContact CD1-CD1 4.22Å; L753-T855 HydrophobicContact CD2-CG2 3.78Å
754	T	89.1	Confident	78.3	Confident	6 Å²	6	74.8 Å²	74.8	4%	0.037	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.8	174	-51	0	0	0	0	108.8	F756 R769 L853 G854 E856	T754-F756 HydrophobicContact CG2-CE1 4.38Å; T754-F756 HydrophobicContact CG2-CE2 4.05Å; T754-F756 HydrophobicContact CG2-CZ 3.78Å; T754-F756 VanDerWaalsContact O-CE2 3.3Å; T754-F756 WeakPolarHBondContact O-CE2 3.24Å; T754-R769 HydrophobicContact CG2-CB 3.87Å; T754-R769 HydrophobicContact CG2-CG 4.37Å; T754-L853 WeakPolarHBondContact O-CA 3.25Å; T754-G854 PolarHBondContact N-O 3.32Å; T754-G854 PolarHBondContact O-N 3.29Å; T754-E856 HydrophobicContact CG2-CG 4.31Å; T754-E856 WeakPolarHBondContact CG2-OE2 3.38Å; T754-E856 PolarHBondContact OG1-OE2 2.99Å
755	A	87.6	Confident	76.9	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.008	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	137.6	171.5	0	0	0	0	0	110.9	R769 Q770 V772 M851 I852 L853	A755-R769 WeakPolarHBondContact O-CA 3.29Å; A755-Q770 PolarHBondContact N-O 3.15Å; A755-Q770 PolarHBondContact O-N 2.9Å; A755-V772 HydrophobicContact CB-CG1 4.2Å; A755-V772 HydrophobicContact CB-CG2 3.77Å; A755-M851 HydrophobicContact CB-SD 4.25Å; A755-I852 WeakPolarHBondContact CA-O 3.19Å; A755-L853 HydrophobicContact CB-CD2 3.72Å
756	F	83.8	Confident	75.5	Confident	17 Å²	17	84.9 Å²	84.9	8%	0.075	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	104.7	176.3	-61.6	-90.7	0	0	0	108.2	T754 R769 V813 A832 L835 I852	T754-F756 HydrophobicContact CG2-CE1 4.38Å; T754-F756 HydrophobicContact CG2-CE2 4.05Å; T754-F756 HydrophobicContact CG2-CZ 3.78Å; T754-F756 VanDerWaalsContact O-CE2 3.3Å; T754-F756 WeakPolarHBondContact O-CE2 3.24Å; F756-R769 HydrophobicContact CD1-CG 4.09Å; F756-R769 HydrophobicContact CE1-CG 3.72Å; F756-V813 HydrophobicContact CD1-CG1 3.77Å; F756-V813 HydrophobicContact CE1-CG1 4.28Å; F756-V813 HydrophobicContact CG-CG1 4.26Å; F756-A832 HydrophobicContact CE1-CB 4.28Å; F756-A832 HydrophobicContact CE2-CB 3.81Å; F756-A832 HydrophobicContact CZ-CB 3.43Å; F756-A832 VanDerWaalsContact CZ-CB 3.43Å; F756-L835 HydrophobicContact CD2-CD2 4.17Å; F756-L835 HydrophobicContact CE2-CD2 4.02Å; F756-I852 HydrophobicContact CB-CB 4.27Å; F756-I852 HydrophobicContact CB-CG2 4.4Å; F756-I852 HydrophobicContact CD2-CG2 4.28Å; F756-I852 PolarHBondContact N-O 3.2Å
757	V	76.9	Confident	74.3	Confident	62 Å²	62	82.6 Å²	82.6	38%	0.376	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.9	-176.8	-176.4	0	0	0	0	108.7	K767 S768	V757-K767 CarbonylContact O-C 3.6Å; V757-K767 WeakPolarHBondContact O-CA 3.39Å; V757-S768 PolarHBondContact N-O 3.28Å; V757-S768 PolarHBondContact O-N 2.83Å
758	E	68.4	Low	73.6	Confident	78 Å²	78	82.4 Å²	82.4	36%	0.364	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	103.3	175.6	-169.1	172.1	161.4	0	0	110.1	S760 K765 K767	E758-S760 PolarHBondContact O-N 2.84Å; E758-S760 VanDerWaalsContact O-N 3.13Å; E758-K765 WeakPolarHBondContact OE1-CD 3.42Å; E758-K765 WeakPolarHBondContact OE1-CG 3.41Å; E758-K765 IonicContact OE1-NZ 2.96Å; E758-K765 PolarHBondContact OE1-NZ 3.48Å; E758-K767 HydrophobicContact CB-CG 4.2Å; E758-K767 HydrophobicContact CG-CG 4.21Å
759	D	58	Low	73	Confident	83 Å²	83	83 Å²	83	44%	0.444	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	113.4	174.8	-83.8	-64.1	0	0	0	109.3	G761 R766 S768	D759-G761 PolarHBondContact O-N 2.95Å; D759-R766 WeakPolarHBondContact CB-O 3.48Å; D759-R766 PolarHBondContact N-O 2.9Å; D759-S768 WeakPolarHBondContact OD2-CB 3.43Å; D759-S768 PolarHBondContact OD2-OG 2.8Å
760	S	54.2	Low	72.7	Confident	117 Å²	117	78.6 Å²	78.6	82%	0.818	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	50.6	179.8	-64.2	0	0	0	0	111.7	E758	E758-S760 PolarHBondContact O-N 2.84Å; E758-S760 VanDerWaalsContact O-N 3.13Å
761	G	55.7	Low	72.4	Confident	39 Å²	39	77.6 Å²	77.6	40%	0.402	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131	175.3	0	0	0	0	0	111.2	D759 F763 T764	D759-G761 PolarHBondContact O-N 2.95Å; G761-F763 PolarHBondContact O-N 3.39Å; G761-T764 PolarHBondContact O-N 3.12Å; G761-T764 VanDerWaalsContact O-N 3.08Å
762	I	56	Low	72.4	Confident	158 Å²	158	76.3 Å²	76.3	81%	0.81	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-29.6	-168.2	-55.3	175.8	0	0	0	113.9
763	F	54.4	Low	72.5	Confident	197 Å²	197	73.9 Å²	73.9	86%	0.864	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-3.2	-177.9	-66.3	-78	0	0	0	115.7	G761	G761-F763 PolarHBondContact O-N 3.39Å
764	T	54.8	Low	72.7	Confident	84 Å²	84	73.1 Å²	73.1	52%	0.515	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	118	175.9	58	0	0	0	0	113.2	G761 R766	G761-T764 PolarHBondContact O-N 3.12Å; G761-T764 VanDerWaalsContact O-N 3.08Å; T764-R766 VanDerWaalsContact C-N 3.31Å; T764-R766 PolarHBondContact O-N 2.88Å
765	K	56	Low	72.9	Confident	127 Å²	127	72.9 Å²	72.9	55%	0.552	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	82.1	163.7	-76.7	174.1	164.4	-86	0	110.6	E758 S816	E758-K765 WeakPolarHBondContact OE1-CD 3.42Å; E758-K765 WeakPolarHBondContact OE1-CG 3.41Å; E758-K765 IonicContact OE1-NZ 2.96Å; E758-K765 PolarHBondContact OE1-NZ 3.48Å; K765-S816 PolarHBondContact O-OG 3.28Å
766	R	59.8	Low	73.2	Confident	177 Å²	177	74.6 Å²	74.6	67%	0.668	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.3	173.2	-174.4	176.6	-68.1	179.6	0.5	108.6	D759 T764	D759-R766 WeakPolarHBondContact CB-O 3.48Å; D759-R766 PolarHBondContact N-O 2.9Å; T764-R766 VanDerWaalsContact C-N 3.31Å; T764-R766 PolarHBondContact O-N 2.88Å
767	K	65.5	Low	73.7	Confident	54 Å²	54	73.8 Å²	73.8	24%	0.235	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.1	169.3	-73.3	164.4	-177.7	165	0	108.9	V757 E758 D812 V813 L815	V757-K767 CarbonylContact O-C 3.6Å; V757-K767 WeakPolarHBondContact O-CA 3.39Å; E758-K767 HydrophobicContact CB-CG 4.2Å; E758-K767 HydrophobicContact CG-CG 4.21Å; K767-D812 PolarHBondContact NZ-O 2.93Å; K767-V813 WeakPolarHBondContact CD-O 3.42Å; K767-V813 PolarHBondContact NZ-O 3.46Å; K767-L815 PolarHBondContact NZ-O 2.81Å
768	S	74.5	Confident	74.5	Confident	37 Å²	37	72.3 Å²	72.3	26%	0.259	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143.8	175.8	47.8	0	0	0	0	110.5	V757 D759	V757-S768 PolarHBondContact N-O 3.28Å; V757-S768 PolarHBondContact O-N 2.83Å; D759-S768 WeakPolarHBondContact OD2-CB 3.43Å; D759-S768 PolarHBondContact OD2-OG 2.8Å
769	R	81.9	Confident	75.5	Confident	86 Å²	86	70.8 Å²	70.8	33%	0.325	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.2	172	-58.1	-166.9	-171.9	-160.7	-1.5	107.9	T754 A755 F756 V830 E856	T754-R769 HydrophobicContact CG2-CB 3.87Å; T754-R769 HydrophobicContact CG2-CG 4.37Å; A755-R769 WeakPolarHBondContact O-CA 3.29Å; F756-R769 HydrophobicContact CD1-CG 4.09Å; F756-R769 HydrophobicContact CE1-CG 3.72Å; R769-V830 PolarHBondContact NH1-O 2.98Å; R769-V830 VanDerWaalsContact NH1-O 3.16Å; R769-V830 PolarHBondContact NH2-O 2.87Å; R769-E856 WeakPolarHBondContact CD-OE1 3.45Å; R769-E856 IonicContact CZ-OE1 3.64Å; R769-E856 IonicContact NE-OE1 3.77Å; R769-E856 IonicContact NH1-OE1 3.71Å; R769-E856 PolarHBondContact NH1-OE1 3.17Å
770	Q	84.3	Confident	77.2	Confident	58 Å²	58	66.8 Å²	66.8	27%	0.271	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.9	174.7	-179.3	172.7	-80.6	0	0	110.8	A755 V772	A755-Q770 PolarHBondContact N-O 3.15Å; A755-Q770 PolarHBondContact O-N 2.9Å; Q770-V772 HydrophobicContact CG-CG1 4.17Å; Q770-V772 PolarHBondContact O-N 2.98Å
771	H	87.9	Confident	79	Confident	97 Å²	97	62 Å²	62	45%	0.449	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	120.9	167.5	-64.6	-97.4	0	0	0	109.9	E752 E856	E752-H771 IonicContact OE1-CE1 2.67Å; E752-H771 IonicContact OE1-CG 2.87Å; E752-H771 IonicContact OE1-ND1 3.89Å; E752-H771 PolarHBondContact OE1-ND1 3.36Å; H771-E856 IonicContact CE1-OE2 3.93Å
772	V	90.9	Very high	80.8	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.9	176.6	-71.8	0	0	0	0	109.5	E752 L753 A755 Q770 F774 T784 I795 L853	E752-V772 WeakPolarHBondContact CA-O 3.29Å; L753-V772 HydrophobicContact CB-CG2 4.48Å; L753-V772 PolarHBondContact N-O 2.8Å; L753-V772 VanDerWaalsContact O-CG2 3.24Å; L753-V772 WeakPolarHBondContact O-CG2 3.41Å; L753-V772 PolarHBondContact O-N 3.48Å; L753-V772 VanDerWaalsContact O-O 3.06Å; A755-V772 HydrophobicContact CB-CG1 4.2Å; A755-V772 HydrophobicContact CB-CG2 3.77Å; Q770-V772 HydrophobicContact CG-CG1 4.17Å; Q770-V772 PolarHBondContact O-N 2.98Å; V772-F774 HydrophobicContact CB-CE2 4.28Å; V772-F774 HydrophobicContact CG2-CD2 4.33Å; V772-F774 HydrophobicContact CG2-CE2 3.53Å; V772-F774 HydrophobicContact CG2-CZ 4.15Å; V772-T784 CarbonylContact C-O 3.54Å; V772-T784 WeakPolarHBondContact CA-O 3.35Å; V772-I795 HydrophobicContact CG1-CD1 4.1Å; V772-L853 HydrophobicContact CG2-CD2 4.14Å
773	Y	92.8	Very high	82.5	Confident	40 Å²	40	52.8 Å²	52.8	16%	0.157	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.7	-179.7	-163.5	-80.2	0	0	0	109.4	R750 E752 F775 T784 H792	R750-Y773 HydrophobicContact CB-CE1 3.88Å; R750-Y773 WeakPolarHBondContact CD-OH 3.33Å; R750-Y773 HydrophobicContact CG-CE1 4.36Å; R750-Y773 WeakPolarHBondContact CG-OH 3.2Å; E752-Y773 HydrophobicContact CB-CD2 3.8Å; E752-Y773 HydrophobicContact CB-CE2 4.31Å; E752-Y773 HydrophobicContact CG-CD2 4.28Å; Y773-F775 HydrophobicContact CD1-CD2 4.08Å; Y773-F775 HydrophobicContact CD1-CE1 4.4Å; Y773-F775 AromaticContact CD1-CE2 3.54Å; Y773-F775 HydrophobicContact CD1-CE2 3.54Å; Y773-F775 AromaticContact CD1-CZ 3.73Å; Y773-F775 HydrophobicContact CD1-CZ 3.73Å; Y773-F775 HydrophobicContact CE1-CD1 4.43Å; Y773-F775 HydrophobicContact CE1-CD2 4.43Å; Y773-F775 AromaticContact CE1-CE1 3.91Å; Y773-F775 HydrophobicContact CE1-CE1 3.91Å; Y773-F775 AromaticContact CE1-CE2 3.9Å; Y773-F775 HydrophobicContact CE1-CE2 3.9Å; Y773-F775 AromaticContact CE1-CZ 3.62Å; Y773-F775 HydrophobicContact CE1-CZ 3.62Å; Y773-T784 PolarHBondContact N-O 2.67Å; Y773-T784 WeakPolarHBondContact O-CB 3.06Å; Y773-T784 PolarHBondContact O-N 3.28Å; Y773-T784 PolarHBondContact O-OG1 3.08Å; Y773-H792 AromaticContact CD1-CD2 3.97Å; Y773-H792 AromaticContact CD1-NE2 3.86Å; Y773-H792 AromaticContact CG-CD2 3.98Å; Y773-H792 AromaticContact CG-NE2 3.8Å
774	F	93.6	Very high	84.3	Confident	17 Å²	17	43.4 Å²	43.4	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.6	-175.8	-71.9	-91.3	0	0	0	111.4	R750 G751 L753 V772 L781 I782 V783 L838 M851 L853	R750-F774 WeakPolarHBondContact CA-O 3.23Å; R750-F774 WeakPolarHBondContact CB-O 3.47Å; G751-F774 PolarHBondContact N-O 3.14Å; G751-F774 VanDerWaalsContact N-O 3.15Å; G751-F774 PolarHBondContact O-N 2.7Å; L753-F774 HydrophobicContact CB-CD2 4.28Å; L753-F774 HydrophobicContact CB-CE2 4.09Å; L753-F774 HydrophobicContact CD1-CD2 3.85Å; L753-F774 HydrophobicContact CD1-CE2 3.84Å; L753-F774 HydrophobicContact CG-CD2 4.29Å; L753-F774 HydrophobicContact CG-CE2 4.42Å; V772-F774 HydrophobicContact CB-CE2 4.28Å; V772-F774 HydrophobicContact CG2-CD2 4.33Å; V772-F774 HydrophobicContact CG2-CE2 3.53Å; V772-F774 HydrophobicContact CG2-CZ 4.15Å; F774-L781 HydrophobicContact CB-CD1 4.19Å; F774-L781 HydrophobicContact CD1-CD1 3.74Å; F774-L781 HydrophobicContact CD1-CD2 3.97Å; F774-L781 HydrophobicContact CD1-CG 3.99Å; F774-L781 HydrophobicContact CE1-CD2 4.11Å; F774-L781 HydrophobicContact CG-CD1 4.42Å; F774-I782 WeakPolarHBondContact CA-O 3.21Å; F774-V783 HydrophobicContact CD1-CB 4.49Å; F774-V783 HydrophobicContact CD1-CG1 4.4Å; F774-V783 HydrophobicContact CD1-CG2 4.09Å; F774-V783 HydrophobicContact CE1-CB 4.2Å; F774-V783 HydrophobicContact CE1-CG1 3.85Å; F774-V783 HydrophobicContact CE1-CG2 3.67Å; F774-V783 HydrophobicContact CZ-CG1 4.08Å; F774-L838 HydrophobicContact CE1-CD2 3.74Å; F774-L838 HydrophobicContact CZ-CD2 4.1Å; F774-M851 HydrophobicContact CE1-CE 4.02Å; F774-M851 HydrophobicContact CZ-CE 3.72Å; F774-L853 HydrophobicContact CE1-CD1 4.33Å; F774-L853 HydrophobicContact CE2-CD1 3.82Å; F774-L853 HydrophobicContact CE2-CD2 4Å; F774-L853 HydrophobicContact CZ-CD1 3.45Å; F774-L853 VanDerWaalsContact CZ-CD1 3.45Å; F774-L853 HydrophobicContact CZ-CD2 3.92Å; F774-L853 HydrophobicContact CZ-CG 4.36Å
775	F	93.8	Very high	86	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.4	164.6	-60.3	-97.7	0	0	0	107.9	I727 L731 M747 R750 Y773 F777 I782 T784 H792	I727-F775 HydrophobicContact CD1-CD1 4.15Å; I727-F775 HydrophobicContact CG1-CD1 4.25Å; I727-F775 HydrophobicContact CG1-CE1 4.16Å; I727-F775 HydrophobicContact CG2-CD1 3.68Å; I727-F775 HydrophobicContact CG2-CE1 3.75Å; I727-F775 HydrophobicContact CG2-CG 4.24Å; I727-F775 HydrophobicContact CG2-CZ 4.37Å; L731-F775 HydrophobicContact CD2-CD2 4.05Å; L731-F775 HydrophobicContact CD2-CE2 3.73Å; L731-F775 HydrophobicContact CD2-CZ 4.29Å; M747-F775 HydrophobicContact SD-CD1 4.32Å; R750-F775 HydrophobicContact CB-CD1 4.02Å; R750-F775 HydrophobicContact CB-CE1 4.43Å; Y773-F775 HydrophobicContact CD1-CD2 4.08Å; Y773-F775 HydrophobicContact CD1-CE1 4.4Å; Y773-F775 AromaticContact CD1-CE2 3.54Å; Y773-F775 HydrophobicContact CD1-CE2 3.54Å; Y773-F775 AromaticContact CD1-CZ 3.73Å; Y773-F775 HydrophobicContact CD1-CZ 3.73Å; Y773-F775 HydrophobicContact CE1-CD1 4.43Å; Y773-F775 HydrophobicContact CE1-CD2 4.43Å; Y773-F775 AromaticContact CE1-CE1 3.91Å; Y773-F775 HydrophobicContact CE1-CE1 3.91Å; Y773-F775 AromaticContact CE1-CE2 3.9Å; Y773-F775 HydrophobicContact CE1-CE2 3.9Å; Y773-F775 AromaticContact CE1-CZ 3.62Å; Y773-F775 HydrophobicContact CE1-CZ 3.62Å; F775-F777 HydrophobicContact CB-CD2 4.45Å; F775-F777 HydrophobicContact CB-CE2 3.47Å; F775-F777 VanDerWaalsContact CB-CE2 3.47Å; F775-F777 HydrophobicContact CB-CZ 3.73Å; F775-F777 WeakPolarHBondContact O-CD2 3.4Å; F775-F777 WeakPolarHBondContact O-CE2 3.46Å; F775-I782 HydrophobicContact CB-CB 4.47Å; F775-I782 PolarHBondContact N-O 2.88Å; F775-I782 PolarHBondContact O-N 3.05Å; F775-T784 HydrophobicContact CD2-CG2 3.89Å; F775-T784 HydrophobicContact CE2-CG2 3.92Å; F775-H792 HydrophobicContact CE2-CB 4.24Å; F775-H792 AromaticContact CE2-CG 3.99Å
776	L	93.9	Very high	87.5	Confident	38 Å²	38	42.6 Å²	42.6	20%	0.199	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.9	175.9	176.5	65.4	0	0	0	109	V748 K749 L781	V748-L776 HydrophobicContact CB-CD2 4.47Å; V748-L776 HydrophobicContact CB-CG 4.3Å; V748-L776 HydrophobicContact CG1-CD2 4.28Å; V748-L776 PolarHBondContact N-O 3.35Å; K749-L776 HydrophobicContact CB-CB 4.47Å; K749-L776 PolarHBondContact N-O 2.93Å; K749-L776 PolarHBondContact O-N 3.4Å; L776-L781 HydrophobicContact CB-CD1 3.83Å; L776-L781 HydrophobicContact CD1-CB 4.28Å; L776-L781 HydrophobicContact CD1-CD1 4.01Å
777	F	93.8	Very high	88.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	179.7	173.6	-54.2	-94.5	0	0	0	109.9	M724 I727 L740 R745 W746 M747 F775 D779 V780 I782	M724-F777 HydrophobicContact CE-CD1 4Å; M724-F777 HydrophobicContact CE-CE1 3.72Å; M724-F777 HydrophobicContact SD-CD1 3.66Å; M724-F777 HydrophobicContact SD-CE1 3.56Å; M724-F777 VanDerWaalsContact SD-CE1 3.56Å; I727-F777 HydrophobicContact CD1-CE1 4.14Å; I727-F777 HydrophobicContact CD1-CZ 4.32Å; I727-F777 HydrophobicContact CG2-CZ 4.22Å; L740-F777 HydrophobicContact CD1-CE1 4.06Å; L740-F777 HydrophobicContact CD1-CE2 3.95Å; L740-F777 HydrophobicContact CD1-CZ 3.65Å; L740-F777 HydrophobicContact CD2-CZ 4.43Å; L740-F777 HydrophobicContact CG-CZ 4.5Å; R745-F777 HydrophobicContact CG-CB 3.9Å; R745-F777 HydrophobicContact CG-CD1 3.87Å; R745-F777 HydrophobicContact CG-CG 4.11Å; W746-F777 CarbonylContact O-C 3.59Å; W746-F777 WeakPolarHBondContact O-CA 3.15Å; W746-F777 WeakPolarHBondContact O-CB 3.47Å; M747-F777 HydrophobicContact CB-CD1 4.17Å; M747-F777 HydrophobicContact CB-CE1 4.17Å; F775-F777 HydrophobicContact CB-CD2 4.45Å; F775-F777 HydrophobicContact CB-CE2 3.47Å; F775-F777 VanDerWaalsContact CB-CE2 3.47Å; F775-F777 HydrophobicContact CB-CZ 3.73Å; F775-F777 WeakPolarHBondContact O-CD2 3.4Å; F775-F777 WeakPolarHBondContact O-CE2 3.46Å; F777-D779 VanDerWaalsContact C-N 3.28Å; F777-D779 PolarHBondContact O-N 3.41Å; F777-V780 WeakPolarHBondContact CA-O 3.49Å; F777-V780 HydrophobicContact CB-CG1 3.92Å; F777-V780 WeakPolarHBondContact CB-O 3.46Å; F777-V780 HydrophobicContact CD2-CG1 3.63Å; F777-V780 WeakPolarHBondContact CD2-O 3.2Å; F777-V780 HydrophobicContact CE2-CG1 4.49Å; F777-V780 HydrophobicContact CG-CG1 4Å; F777-V780 PolarHBondContact N-O 3.28Å; F777-I782 HydrophobicContact CD2-CG1 4.42Å; F777-I782 HydrophobicContact CE2-CB 4.46Å; F777-I782 HydrophobicContact CE2-CD1 3.82Å; F777-I782 HydrophobicContact CE2-CG1 3.96Å
778	N	93.5	Very high	89.4	Confident	31 Å²	31	39.5 Å²	39.5	17%	0.166	19%	0.191	C	C	.	.	S	Bend	trans	-65.8	-29.7	177.3	57.8	-56.2	0	0	0	113.5	S744 R745 W746 V748 R800	S744-N778 PolarHBondContact O-ND2 3.47Å; R745-N778 VanDerWaalsContact CA-OD1 3.31Å; R745-N778 WeakPolarHBondContact CA-OD1 3.45Å; W746-N778 HydrophobicContact CD2-CB 3.86Å; W746-N778 HydrophobicContact CE3-CB 4.17Å; W746-N778 HydrophobicContact CG-CB 4.49Å; W746-N778 HydrophobicContact CH2-CB 3.94Å; W746-N778 HydrophobicContact CZ2-CB 3.59Å; W746-N778 HydrophobicContact CZ3-CB 4.21Å; W746-N778 WeakPolarHBondContact CZ3-ND2 3.46Å; W746-N778 PolarHBondContact N-OD1 3.47Å; W746-N778 PolarHBondContact O-N 2.87Å; W746-N778 VanDerWaalsContact O-N 3.1Å; W746-N778 PolarHBondContact O-OD1 3.44Å; V748-N778 HydrophobicContact CG2-CB 4.26Å; N778-R800 WeakPolarHBondContact O-CD 3.18Å; N778-R800 PolarHBondContact O-NH1 2.85Å
779	D	91.5	Very high	89.6	Confident	45 Å²	45	45 Å²	45	24%	0.241	21%	0.212	C	C	.	.	S	Bend	trans	-120.7	-20.1	-172.7	69.2	-32.9	0	0	0	114.8	R745 F777 L799 R800	R745-D779 WeakPolarHBondContact CD-OD1 3.35Å; R745-D779 WeakPolarHBondContact CG-OD1 3.48Å; R745-D779 IonicContact CZ-OD1 2.73Å; R745-D779 IonicContact CZ-OD2 2.73Å; R745-D779 VanDerWaalsContact CZ-OD2 3.23Å; R745-D779 VanDerWaalsContact NE-CG 3.31Å; R745-D779 IonicContact NE-OD1 3.96Å; R745-D779 PolarHBondContact NE-OD1 2.91Å; R745-D779 IonicContact NE-OD2 3.49Å; R745-D779 PolarHBondContact NE-OD2 3.39Å; R745-D779 IonicContact NH2-OD2 3.8Å; R745-D779 PolarHBondContact NH2-OD2 3.43Å; F777-D779 VanDerWaalsContact C-N 3.28Å; F777-D779 PolarHBondContact O-N 3.41Å; D779-L799 WeakPolarHBondContact O-CA 3.44Å; D779-R800 WeakPolarHBondContact O-CB 3.2Å; D779-R800 PolarHBondContact O-N 3.21Å
780	V	92.3	Very high	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.4	-175.5	70.1	0	0	0	0	112	F738 F777 I782 Y797 A798 L799	F738-V780 HydrophobicContact CE1-CG1 3.84Å; F738-V780 HydrophobicContact CE1-CG2 4.37Å; F738-V780 HydrophobicContact CE2-CG2 4.18Å; F738-V780 HydrophobicContact CZ-CB 4Å; F738-V780 HydrophobicContact CZ-CG1 3.77Å; F738-V780 HydrophobicContact CZ-CG2 3.85Å; F777-V780 WeakPolarHBondContact CA-O 3.49Å; F777-V780 HydrophobicContact CB-CG1 3.92Å; F777-V780 WeakPolarHBondContact CB-O 3.46Å; F777-V780 HydrophobicContact CD2-CG1 3.63Å; F777-V780 WeakPolarHBondContact CD2-O 3.2Å; F777-V780 HydrophobicContact CE2-CG1 4.49Å; F777-V780 HydrophobicContact CG-CG1 4Å; F777-V780 PolarHBondContact N-O 3.28Å; V780-I782 HydrophobicContact CG1-CG1 4.44Å; V780-I782 HydrophobicContact CG2-CG1 4.39Å; V780-Y797 HydrophobicContact CG2-CD2 4.32Å; V780-A798 WeakPolarHBondContact CA-O 3.3Å; V780-A798 VanDerWaalsContact CG2-O 3.29Å; V780-A798 WeakPolarHBondContact CG2-O 3.33Å; V780-L799 HydrophobicContact CB-CD2 4.39Å; V780-L799 HydrophobicContact CG2-CD2 4.34Å
781	L	92.9	Very high	89.8	Confident	15 Å²	15	45.2 Å²	45.2	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.2	165.1	-179.8	62.4	0	0	0	109.1	F774 L776 Y797 A798 I803 L838	F774-L781 HydrophobicContact CB-CD1 4.19Å; F774-L781 HydrophobicContact CD1-CD1 3.74Å; F774-L781 HydrophobicContact CD1-CD2 3.97Å; F774-L781 HydrophobicContact CD1-CG 3.99Å; F774-L781 HydrophobicContact CE1-CD2 4.11Å; F774-L781 HydrophobicContact CG-CD1 4.42Å; L776-L781 HydrophobicContact CB-CD1 3.83Å; L776-L781 HydrophobicContact CD1-CB 4.28Å; L776-L781 HydrophobicContact CD1-CD1 4.01Å; L781-Y797 CarbonylContact O-C 3.48Å; L781-Y797 WeakPolarHBondContact O-CA 3.4Å; L781-Y797 WeakPolarHBondContact O-CB 3.37Å; L781-A798 PolarHBondContact N-O 2.98Å; L781-A798 PolarHBondContact O-N 2.94Å; L781-I803 HydrophobicContact CB-CD1 3.41Å; L781-I803 VanDerWaalsContact CB-CD1 3.41Å; L781-I803 HydrophobicContact CD2-CD1 3.85Å; L781-I803 HydrophobicContact CG-CD1 4.28Å; L781-L838 HydrophobicContact CD2-CD1 4.35Å; L781-L838 HydrophobicContact CD2-CD2 3.83Å
782	I	92.4	Very high	90	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	175.1	-54.3	-175.1	0	0	0	109.2	L731 F738 L740 F774 F775 F777 V780 T784 V794	L731-I782 HydrophobicContact CD1-CD1 3.9Å; L731-I782 HydrophobicContact CD1-CG2 4.22Å; F738-I782 HydrophobicContact CD1-CD1 4.15Å; F738-I782 HydrophobicContact CE1-CD1 4.45Å; L740-I782 HydrophobicContact CD1-CD1 3.51Å; F774-I782 WeakPolarHBondContact CA-O 3.21Å; F775-I782 HydrophobicContact CB-CB 4.47Å; F775-I782 PolarHBondContact N-O 2.88Å; F775-I782 PolarHBondContact O-N 3.05Å; F777-I782 HydrophobicContact CD2-CG1 4.42Å; F777-I782 HydrophobicContact CE2-CB 4.46Å; F777-I782 HydrophobicContact CE2-CD1 3.82Å; F777-I782 HydrophobicContact CE2-CG1 3.96Å; V780-I782 HydrophobicContact CG1-CG1 4.44Å; V780-I782 HydrophobicContact CG2-CG1 4.39Å; I782-T784 HydrophobicContact CG2-CG2 3.94Å; I782-V794 HydrophobicContact CG2-CB 4.47Å; I782-V794 HydrophobicContact CG2-CG1 3.75Å; I782-V794 HydrophobicContact CG2-CG2 3.99Å
783	V	91.9	Very high	90.1	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.6	-179.9	-166.9	0	0	0	0	108.8	F774 I795 D796 F840 M851	F774-V783 HydrophobicContact CD1-CB 4.49Å; F774-V783 HydrophobicContact CD1-CG1 4.4Å; F774-V783 HydrophobicContact CD1-CG2 4.09Å; F774-V783 HydrophobicContact CE1-CB 4.2Å; F774-V783 HydrophobicContact CE1-CG1 3.85Å; F774-V783 HydrophobicContact CE1-CG2 3.67Å; F774-V783 HydrophobicContact CZ-CG1 4.08Å; V783-I795 HydrophobicContact CG1-CD1 4.36Å; V783-I795 PolarHBondContact O-N 3.08Å; V783-D796 PolarHBondContact N-O 3.33Å; V783-D796 PolarHBondContact O-N 2.88Å; V783-F840 HydrophobicContact CG2-CZ 4.16Å; V783-M851 HydrophobicContact CG1-CE 3.72Å; V783-M851 HydrophobicContact CG2-CE 4.17Å
784	T	92.6	Very high	90	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156	-175.5	77.1	0	0	0	0	112.9	L731 V772 Y773 F775 I782 H792 T793 V794	L731-T784 HydrophobicContact CD2-CG2 3.76Å; V772-T784 CarbonylContact C-O 3.54Å; V772-T784 WeakPolarHBondContact CA-O 3.35Å; Y773-T784 PolarHBondContact N-O 2.67Å; Y773-T784 WeakPolarHBondContact O-CB 3.06Å; Y773-T784 PolarHBondContact O-N 3.28Å; Y773-T784 PolarHBondContact O-OG1 3.08Å; F775-T784 HydrophobicContact CD2-CG2 3.89Å; F775-T784 HydrophobicContact CE2-CG2 3.92Å; I782-T784 HydrophobicContact CG2-CG2 3.94Å; T784-H792 HydrophobicContact CG2-CB 4.28Å; T784-T793 CarbonylContact C-O 3.43Å; T784-T793 WeakPolarHBondContact CA-O 3.28Å; T784-T793 WeakPolarHBondContact CB-O 3.39Å; T784-V794 HydrophobicContact CG2-CG2 4.22Å
785	K	90.3	Very high	89.8	Confident	97 Å²	97	42.2 Å²	42.2	42%	0.422	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.7	164	-163.6	164.5	-173.6	163.3	0	108.5	K787 T793 I795	K785-K787 PolarHBondContact O-N 2.67Å; K785-T793 PolarHBondContact N-O 3.01Å; K785-T793 PolarHBondContact O-N 2.92Å; K785-I795 HydrophobicContact CB-CD1 4.03Å; K785-I795 HydrophobicContact CB-CG1 4.21Å
786	K	87.2	Confident	89.6	Confident	98 Å²	98	42.6 Å²	42.6	43%	0.426	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.1	173.7	-165.4	171.7	-174.9	-179.3	0	109.5	G788 E789	K786-G788 WeakPolarHBondContact CE-O 3.42Å; K786-G788 WeakPolarHBondContact CG-O 3.31Å; K786-E789 WeakPolarHBondContact CE-O 3.4Å
787	K	84.3	Confident	89.4	Confident	133 Å²	133	41.3 Å²	41.3	58%	0.578	21%	0.21	S	C	*	.			trans	-118.6	-31.7	-177	-177.2	-169.1	175.8	-165.9	0	111.8	K785 S791	K785-K787 PolarHBondContact O-N 2.67Å; K787-S791 WeakPolarHBondContact CA-O 3.38Å; K787-S791 WeakPolarHBondContact CB-O 3.38Å; K787-S791 PolarHBondContact N-O 3.41Å
788	G	82.6	Confident	89.3	Confident	32 Å²	32	41.5 Å²	41.5	33%	0.33	21%	0.212	S	C	.	.	S	Bend	trans	-149.7	-168.1	169.1	0	0	0	0	0	108.8	K786 S791	K786-G788 WeakPolarHBondContact CE-O 3.42Å; K786-G788 WeakPolarHBondContact CG-O 3.31Å; G788-S791 PolarHBondContact N-O 3.35Å; G788-S791 VanDerWaalsContact N-O 3.16Å
789	E	77.1	Confident	89.1	Confident	152 Å²	152	43.2 Å²	43.2	71%	0.71	22%	0.221	S	C	*	.	S	Bend	trans	-62.2	-52.6	-179.4	-167.6	162.2	-174.3	0	0	112.1	K786	K786-E789 WeakPolarHBondContact CE-O 3.4Å
790	D	81.9	Confident	89	Confident	109 Å²	109	46.6 Å²	46.6	58%	0.583	23%	0.23	S	C	*	.	S	Bend	trans	-100.9	6.2	176.7	-76.4	-55.9	0	0	0	114.4	Q730	Q730-D790 WeakPolarHBondContact CA-O 3.36Å; Q730-D790 WeakPolarHBondContact CB-O 3.35Å; Q730-D790 HydrophobicContact CG-CB 4.42Å; Q730-D790 WeakPolarHBondContact CG-O 3.46Å; Q730-D790 PolarHBondContact NE2-OD1 2.84Å
791	S	89.4	Confident	88.8	Confident	41 Å²	41	52.8 Å²	52.8	29%	0.287	26%	0.263	S	S	.	.			trans	-112.5	122.8	-176.1	-168.5	0	0	0	0	112.5	K787 G788	K787-S791 WeakPolarHBondContact CA-O 3.38Å; K787-S791 WeakPolarHBondContact CB-O 3.38Å; K787-S791 PolarHBondContact N-O 3.41Å; G788-S791 PolarHBondContact N-O 3.35Å; G788-S791 VanDerWaalsContact N-O 3.16Å
792	H	91.8	Very high	88.6	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.5	-173.1	-66.5	84.1	0	0	0	110.4	Q730 L731 Q732 Y773 F775 T784	Q730-H792 PolarHBondContact O-N 3.23Å; L731-H792 WeakPolarHBondContact CA-O 3.11Å; L731-H792 HydrophobicContact CD2-CB 3.91Å; Q732-H792 PolarHBondContact N-O 3.16Å; Y773-H792 AromaticContact CD1-CD2 3.97Å; Y773-H792 AromaticContact CD1-NE2 3.86Å; Y773-H792 AromaticContact CG-CD2 3.98Å; Y773-H792 AromaticContact CG-NE2 3.8Å; F775-H792 HydrophobicContact CE2-CB 4.24Å; F775-H792 AromaticContact CE2-CG 3.99Å; T784-H792 HydrophobicContact CG2-CB 4.28Å
793	T	92.6	Very high	88.5	Confident	18 Å²	18	57.3 Å²	57.3	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119	174.4	-60.6	0	0	0	0	109.3	Q732 K734 T784 K785 I795	Q732-T793 WeakPolarHBondContact O-CA 3.37Å; K734-T793 HydrophobicContact CD-CG2 3.61Å; K734-T793 HydrophobicContact CG-CG2 3.87Å; T784-T793 CarbonylContact C-O 3.43Å; T784-T793 WeakPolarHBondContact CA-O 3.28Å; T784-T793 WeakPolarHBondContact CB-O 3.39Å; K785-T793 PolarHBondContact N-O 3.01Å; K785-T793 PolarHBondContact O-N 2.92Å; T793-I795 PolarHBondContact O-N 3.15Å
794	V	91.6	Very high	88.4	Confident	2 Å²	2	64 Å²	64	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.2	175.6	-178.3	0	0	0	0	109.4	L731 Q732 F733 I735 I782 T784	L731-V794 HydrophobicContact CB-CG2 4.01Å; L731-V794 HydrophobicContact CD1-CG2 4.05Å; L731-V794 HydrophobicContact CD2-CG2 4.03Å; L731-V794 HydrophobicContact CG-CG2 4.25Å; Q732-V794 PolarHBondContact O-N 2.58Å; F733-V794 HydrophobicContact CD1-CB 3.93Å; F733-V794 HydrophobicContact CD1-CG1 3.98Å; F733-V794 HydrophobicContact CD1-CG2 3.82Å; F733-V794 HydrophobicContact CD2-CG2 4.47Å; F733-V794 HydrophobicContact CE1-CB 4.22Å; F733-V794 HydrophobicContact CE1-CG1 4.02Å; F733-V794 HydrophobicContact CE1-CG2 3.77Å; F733-V794 HydrophobicContact CE2-CG2 4.44Å; F733-V794 HydrophobicContact CG-CB 4.45Å; F733-V794 HydrophobicContact CG-CG2 4.17Å; F733-V794 HydrophobicContact CZ-CG2 4.09Å; I735-V794 HydrophobicContact CD1-CG1 4.28Å; I735-V794 HydrophobicContact CG1-CG1 4.38Å; I782-V794 HydrophobicContact CG2-CB 4.47Å; I782-V794 HydrophobicContact CG2-CG1 3.75Å; I782-V794 HydrophobicContact CG2-CG2 3.99Å; T784-V794 HydrophobicContact CG2-CG2 4.22Å
795	I	89.4	Confident	88.3	Confident	64 Å²	64	65.2 Å²	65.2	33%	0.328	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-52.5	174.4	-51	172.2	0	0	0	108.7	V772 V783 K785 T793	V772-I795 HydrophobicContact CG1-CD1 4.1Å; V783-I795 HydrophobicContact CG1-CD1 4.36Å; V783-I795 PolarHBondContact O-N 3.08Å; K785-I795 HydrophobicContact CB-CD1 4.03Å; K785-I795 HydrophobicContact CB-CG1 4.21Å; T793-I795 PolarHBondContact O-N 3.15Å
796	D	89.1	Confident	88.1	Confident	7 Å²	7	62 Å²	62	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	169.7	-179.2	-148	-7.9	0	0	0	111.9	V783 F840 S842 H844	V783-D796 PolarHBondContact N-O 3.33Å; V783-D796 PolarHBondContact O-N 2.88Å; D796-F840 HydrophobicContact CB-CE2 4.19Å; D796-S842 PolarHBondContact OD1-OG 2.78Å; D796-S842 WeakPolarHBondContact OD2-CA 3.1Å; D796-S842 WeakPolarHBondContact OD2-CB 3.48Å; D796-S842 PolarHBondContact OD2-OG 2.95Å; D796-H844 VanDerWaalsContact CG-CE1 3.43Å; D796-H844 VanDerWaalsContact CG-ND1 3.28Å; D796-H844 IonicContact OD1-CE1 2.71Å; D796-H844 PolarHBondContact OD1-CE1 2.68Å; D796-H844 IonicContact OD1-ND1 3.08Å; D796-H844 PolarHBondContact OD1-ND1 3.08Å; D796-H844 IonicContact OD2-CE1 3.35Å; D796-H844 PolarHBondContact OD2-CE1 2.89Å; D796-H844 IonicContact OD2-ND1 2.61Å
797	Y	90.6	Very high	88	Confident	12 Å²	12	61.9 Å²	61.9	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.8	169	61.5	-92.5	0	0	0	111.9	I735 K736 F738 V780 L781 N843	I735-Y797 HydrophobicContact CD1-CD1 3.68Å; I735-Y797 HydrophobicContact CD1-CE1 3.67Å; I735-Y797 HydrophobicContact CG1-CE1 4.4Å; K736-Y797 PolarHBondContact O-OH 2.83Å; F738-Y797 HydrophobicContact CB-CD1 4.27Å; F738-Y797 HydrophobicContact CB-CE1 3.86Å; F738-Y797 HydrophobicContact CB-CE2 4.32Å; F738-Y797 AromaticContact CD2-CD2 3.84Å; F738-Y797 HydrophobicContact CD2-CD2 3.84Å; F738-Y797 AromaticContact CD2-CE2 3.45Å; F738-Y797 HydrophobicContact CD2-CE2 3.45Å; F738-Y797 VanDerWaalsContact CD2-CE2 3.45Å; F738-Y797 AromaticContact CD2-CZ 3.83Å; F738-Y797 HydrophobicContact CE2-CD2 4.26Å; F738-Y797 HydrophobicContact CE2-CE2 4.11Å; F738-Y797 HydrophobicContact CG-CD2 4.41Å; F738-Y797 HydrophobicContact CG-CE2 4.2Å; V780-Y797 HydrophobicContact CG2-CD2 4.32Å; L781-Y797 CarbonylContact O-C 3.48Å; L781-Y797 WeakPolarHBondContact O-CA 3.4Å; L781-Y797 WeakPolarHBondContact O-CB 3.37Å; Y797-N843 HydrophobicContact CD2-CB 4.06Å; Y797-N843 HydrophobicContact CE2-CB 3.68Å; Y797-N843 WeakPolarHBondContact CE2-ND2 3.47Å; Y797-N843 PolarHBondContact OH-ND2 2.89Å
798	A	90.3	Very high	87.6	Confident	3 Å²	3	56 Å²	56	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.2	177	0	0	0	0	0	111.2	V780 L781 I803 F840	V780-A798 WeakPolarHBondContact CA-O 3.3Å; V780-A798 VanDerWaalsContact CG2-O 3.29Å; V780-A798 WeakPolarHBondContact CG2-O 3.33Å; L781-A798 PolarHBondContact N-O 2.98Å; L781-A798 PolarHBondContact O-N 2.94Å; A798-I803 HydrophobicContact CB-CG1 4.15Å; A798-F840 HydrophobicContact CB-CB 3.79Å; A798-F840 HydrophobicContact CB-CD2 3.73Å; A798-F840 HydrophobicContact CB-CG 4.06Å
799	L	89.6	Confident	87.2	Confident	68 Å²	68	59.9 Å²	59.9	36%	0.356	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	145.2	170	-60	-179.1	0	0	0	109.8	D779 V780 D801 Q802	D779-L799 WeakPolarHBondContact O-CA 3.44Å; V780-L799 HydrophobicContact CB-CD2 4.39Å; V780-L799 HydrophobicContact CG2-CD2 4.34Å; L799-D801 VanDerWaalsContact C-N 3.27Å; L799-D801 WeakPolarHBondContact CB-OD1 3.34Å; L799-D801 PolarHBondContact O-N 2.93Å; L799-Q802 WeakPolarHBondContact O-CA 3.45Å; L799-Q802 WeakPolarHBondContact O-CB 3.46Å; L799-Q802 PolarHBondContact O-N 3.31Å
800	R	89.2	Confident	86.5	Confident	116 Å²	116	55.6 Å²	55.6	44%	0.438	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-69.2	-23.4	-165.1	-172.2	-179.8	170	-142.5	-5.4	114.1	N778 D779 Q802	N778-R800 WeakPolarHBondContact O-CD 3.18Å; N778-R800 PolarHBondContact O-NH1 2.85Å; D779-R800 WeakPolarHBondContact O-CB 3.2Å; D779-R800 PolarHBondContact O-N 3.21Å; R800-Q802 VanDerWaalsContact C-N 3.29Å
801	D	88.1	Confident	85.5	Confident	130 Å²	130	56.2 Å²	56.2	70%	0.695	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-68.7	-24.6	169.3	62.5	-42.3	0	0	0	113	L799 I803	L799-D801 VanDerWaalsContact C-N 3.27Å; L799-D801 WeakPolarHBondContact CB-OD1 3.34Å; L799-D801 PolarHBondContact O-N 2.93Å; D801-I803 VanDerWaalsContact C-N 3.34Å
802	Q	88.1	Confident	84.1	Confident	75 Å²	75	56.8 Å²	56.8	35%	0.35	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-95	14.5	-178.8	-58.4	176.4	32.7	0	0	113	L799 R800 F840	L799-Q802 WeakPolarHBondContact O-CA 3.45Å; L799-Q802 WeakPolarHBondContact O-CB 3.46Å; L799-Q802 PolarHBondContact O-N 3.31Å; R800-Q802 VanDerWaalsContact C-N 3.29Å; Q802-F840 WeakPolarHBondContact O-CA 3.3Å
803	I	91	Very high	82.7	Confident	34 Å²	34	57.5 Å²	57.5	17%	0.174	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.6	-178.2	-57.9	175	0	0	0	110.2	L781 A798 D801 V805 L838 F840	L781-I803 HydrophobicContact CB-CD1 3.41Å; L781-I803 VanDerWaalsContact CB-CD1 3.41Å; L781-I803 HydrophobicContact CD2-CD1 3.85Å; L781-I803 HydrophobicContact CG-CD1 4.28Å; A798-I803 HydrophobicContact CB-CG1 4.15Å; D801-I803 VanDerWaalsContact C-N 3.34Å; I803-V805 HydrophobicContact CG2-CG2 4.43Å; I803-L838 HydrophobicContact CG2-CD1 3.45Å; I803-L838 VanDerWaalsContact CG2-CD1 3.45Å; I803-F840 HydrophobicContact CG1-CB 4.22Å
804	Q	89.6	Confident	80.9	Confident	144 Å²	144	62.6 Å²	62.6	67%	0.673	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.8	171.1	-172.4	178	19.6	0	0	109.8	C839	Q804-C839 HydrophobicContact CB-CB 4.31Å; Q804-C839 PolarHBondContact N-O 2.89Å; Q804-C839 PolarHBondContact O-N 3.02Å
805	V	90	Very high	78.8	Confident	26 Å²	26	68.7 Å²	68.7	16%	0.158	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128	173	176.3	0	0	0	0	109.8	L289 I803 F836 R837 L838	L289-V805 HydrophobicContact CD1-CG2 3.92Å; L289-V805 HydrophobicContact CD2-CG1 4.44Å; L289-V805 HydrophobicContact CD2-CG2 4.25Å; L289-V805 HydrophobicContact CG-CG2 4.11Å; I803-V805 HydrophobicContact CG2-CG2 4.43Å; V805-F836 HydrophobicContact CG1-CB 4.42Å; V805-F836 HydrophobicContact CG1-CD2 3.98Å; V805-R837 WeakPolarHBondContact CA-O 3.24Å; V805-L838 HydrophobicContact CG2-CD1 3.81Å
806	G	86.9	Confident	76.5	Confident	31 Å²	31	68 Å²	68	32%	0.32	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	161.9	168.5	0	0	0	0	0	111.3	R837	G806-R837 PolarHBondContact N-O 2.98Å; G806-R837 PolarHBondContact O-N 3.29Å
807	S	84.2	Confident	74.2	Confident	95 Å²	95	73.5 Å²	73.5	66%	0.664	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	151.8	161	43.6	0	0	0	0	110.4
808	S	77.5	Confident	71.8	Confident	8 Å²	8	78.1 Å²	78.1	6%	0.056	42%	0.424	C	S	.	.			trans	-129.7	140.7	164.7	-131.5	0	0	0	0	107.7	D812 R837	S808-D812 VanDerWaalsContact CA-OD2 3.3Å; S808-D812 WeakPolarHBondContact CA-OD2 3.41Å; S808-D812 WeakPolarHBondContact CB-OD2 3.49Å; S808-D812 PolarHBondContact OG-OD2 2.74Å; S808-R837 PolarHBondContact OG-NH2 3.22Å; S808-R837 VanDerWaalsContact OG-NH2 3.16Å
809	Q	73.8	Confident	69.7	Low	115 Å²	115	88.3 Å²	88.3	54%	0.537	47%	0.468	S	S	.	.			trans	-91.7	157.2	177.8	-61.7	-63.9	-1.7	0	0	110.5	E811 D812	Q809-E811 HydrophobicContact CB-CG 4.08Å; Q809-E811 PolarHBondContact O-N 2.82Å; Q809-E811 VanDerWaalsContact O-N 3.15Å; Q809-D812 PolarHBondContact N-OD2 3.22Å; Q809-D812 WeakPolarHBondContact O-CB 3.39Å; Q809-D812 PolarHBondContact O-N 2.86Å; Q809-D812 VanDerWaalsContact O-N 3.08Å
810	P	62.7	Low	67.3	Low	61 Å²	61	87.6 Å²	87.6	40%	0.396	47%	0.468	S	S	.	.	H	α-helix	trans	-52.4	-34.4	172.6	-25.6	35	0	0	0	112.7	D812 V813 H814 L835	P810-D812 VanDerWaalsContact C-N 3.27Å; P810-D812 PolarHBondContact O-N 3.16Å; P810-V813 WeakPolarHBondContact O-CB 3.46Å; P810-V813 PolarHBondContact O-N 2.93Å; P810-H814 PolarHBondContact O-CD2 2.84Å; P810-H814 PolarHBondContact O-N 3.19Å; P810-L835 HydrophobicContact CB-CD1 4.49Å; P810-L835 HydrophobicContact CG-CD1 4.5Å
811	E	60.9	Low	65.1	Low	122 Å²	122	88.1 Å²	88.1	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-57.2	-38.4	179.2	-22.5	-42.3	119.7	0	0	112.2	Q809 V813 H814 L815	Q809-E811 HydrophobicContact CB-CG 4.08Å; Q809-E811 PolarHBondContact O-N 2.82Å; Q809-E811 VanDerWaalsContact O-N 3.15Å; E811-V813 PolarHBondContact O-N 3.48Å; E811-H814 PolarHBondContact O-N 3.09Å; E811-H814 VanDerWaalsContact O-N 3.09Å; E811-L815 WeakPolarHBondContact O-CG 3.49Å; E811-L815 PolarHBondContact O-N 3.25Å
812	D	60.1	Low	63	Low	54 Å²	54	88 Å²	88	29%	0.289	49%	0.491	S	S	.	.	H	α-helix	trans	-57.1	-34.7	178.9	-65.6	-35.7	0	0	0	111.8	K767 S808 Q809 P810 R837 I852	K767-D812 PolarHBondContact NZ-O 2.93Å; S808-D812 VanDerWaalsContact CA-OD2 3.3Å; S808-D812 WeakPolarHBondContact CA-OD2 3.41Å; S808-D812 WeakPolarHBondContact CB-OD2 3.49Å; S808-D812 PolarHBondContact OG-OD2 2.74Å; Q809-D812 PolarHBondContact N-OD2 3.22Å; Q809-D812 WeakPolarHBondContact O-CB 3.39Å; Q809-D812 PolarHBondContact O-N 2.86Å; Q809-D812 VanDerWaalsContact O-N 3.08Å; P810-D812 VanDerWaalsContact C-N 3.27Å; P810-D812 PolarHBondContact O-N 3.16Å; D812-R837 IonicContact OD1-NH2 3.23Å; D812-R837 IonicContact OD2-NH2 2.69Å; D812-R837 PolarHBondContact OD2-NH2 3.24Å; D812-I852 HydrophobicContact CB-CD1 4.2Å
813	V	60.7	Low	60.8	Low	22 Å²	22	88.4 Å²	88.4	13%	0.133	50%	0.502	C	S	.	.	H	α-helix	trans	-78.4	-41	179.3	-173.6	0	0	0	0	110.1	F756 K767 P810 E811 L815 L835 I852	F756-V813 HydrophobicContact CD1-CG1 3.77Å; F756-V813 HydrophobicContact CE1-CG1 4.28Å; F756-V813 HydrophobicContact CG-CG1 4.26Å; K767-V813 WeakPolarHBondContact CD-O 3.42Å; K767-V813 PolarHBondContact NZ-O 3.46Å; P810-V813 WeakPolarHBondContact O-CB 3.46Å; P810-V813 PolarHBondContact O-N 2.93Å; E811-V813 PolarHBondContact O-N 3.48Å; V813-L815 PolarHBondContact O-N 2.86Å; V813-L835 HydrophobicContact CG2-CD1 3.82Å; V813-L835 HydrophobicContact CG2-CD2 4.04Å; V813-I852 HydrophobicContact CG2-CG2 4.1Å
814	H	56.5	Low	58.5	Low	126 Å²	126	95.2 Å²	95.2	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-81.2	-10.4	-172.2	-80.1	-80	0	0	0	116.5	P810 E811 S816	P810-H814 PolarHBondContact O-CD2 2.84Å; P810-H814 PolarHBondContact O-N 3.19Å; E811-H814 PolarHBondContact O-N 3.09Å; E811-H814 VanDerWaalsContact O-N 3.09Å; H814-S816 PolarHBondContact O-N 3.18Å
815	L	46.9	Very low	56.2	Low	130 Å²	130	96.7 Å²	96.7	68%	0.681	55%	0.546	S	S	*	.			trans	-66.4	93.1	173.2	-69.9	173.8	0	0	0	112.5	K767 E811 V813	K767-L815 PolarHBondContact NZ-O 2.81Å; E811-L815 WeakPolarHBondContact O-CG 3.49Å; E811-L815 PolarHBondContact O-N 3.25Å; V813-L815 PolarHBondContact O-N 2.86Å
816	S	40.7	Very low	54	Low	50 Å²	50	99.4 Å²	99.4	35%	0.35	57%	0.567	S	S	.	*			trans	-140.5	110.9	157	-171.3	0	0	0	0	109.2	K765 H814 V818	K765-S816 PolarHBondContact O-OG 3.28Å; H814-S816 PolarHBondContact O-N 3.18Å; S816-V818 PolarHBondContact O-N 3.07Å
817	P	40.8	Very low	51.8	Low	121 Å²	121	103.9 Å²	103.9	79%	0.786	59%	0.593	S	S	*	*			trans	-86.2	66.8	-164.3	34.9	-37.4	0	0	0	113.3
818	V	41.2	Very low	49.7	Very low	109 Å²	109	110.5 Å²	110.5	66%	0.661	60%	0.604	S	S	*	*			trans	-109.5	94.5	170.3	-175.9	0	0	0	0	109.8	S816 S820	S816-V818 PolarHBondContact O-N 3.07Å; V818-S820 PolarHBondContact O-N 3.47Å
819	K	44.5	Very low	48.4	Very low	218 Å²	218	116.3 Å²	116.3	95%	0.948	63%	0.63	S	S	*	*			trans	-77.6	68.4	173.3	-69.1	-176.7	178.1	179.3	0	111.1
820	S	40	Very low	47.2	Very low	52 Å²	52	114.5 Å²	114.5	36%	0.364	63%	0.626	S	S	.	*			trans	-87.2	127.8	167.1	49.4	0	0	0	0	110.3	V818 T822 S823	V818-S820 PolarHBondContact O-N 3.47Å; S820-T822 PolarHBondContact O-N 2.61Å; S820-T822 VanDerWaalsContact O-N 3.14Å; S820-S823 PolarHBondContact O-N 3.07Å
821	P	43.4	Very low	46.9	Very low	127 Å²	127	113.5 Å²	113.5	83%	0.825	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-68.6	-14.7	-171.6	26.2	-34.5	0	0	0	114	S823	P821-S823 PolarHBondContact O-N 2.98Å
822	T	44.6	Very low	46.9	Very low	128 Å²	128	108.4 Å²	108.4	79%	0.785	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-73.8	-3.6	175.8	26.5	0	0	0	0	114.8	S820 M824	S820-T822 PolarHBondContact O-N 2.61Å; S820-T822 VanDerWaalsContact O-N 3.14Å; T822-M824 PolarHBondContact O-N 3.04Å
823	S	41.5	Very low	47.3	Very low	84 Å²	84	109.3 Å²	109.3	59%	0.587	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-73.3	-2.3	-175	-164.5	0	0	0	0	115.7	S820 P821 L825	S820-S823 PolarHBondContact O-N 3.07Å; P821-S823 PolarHBondContact O-N 2.98Å; S823-L825 VanDerWaalsContact C-N 3.25Å; S823-L825 PolarHBondContact O-N 3.36Å
824	M	41.3	Very low	48.3	Very low	176 Å²	176	115.2 Å²	115.2	87%	0.867	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-74	-2.4	-173.7	-71.7	-157.6	158.4	0	0	116	T822	T822-M824 PolarHBondContact O-N 3.04Å
825	L	42.7	Very low	49.7	Very low	175 Å²	175	110.4 Å²	110.4	92%	0.916	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-114.2	17.8	179.7	-66.2	176.8	0	0	0	114.7	S823	S823-L825 VanDerWaalsContact C-N 3.25Å; S823-L825 PolarHBondContact O-N 3.36Å
826	S	42.5	Very low	51.7	Low	84 Å²	84	106.9 Å²	106.9	59%	0.587	59%	0.594	S	S	*	*			trans	-114.3	30.5	176.9	-149	0	0	0	0	114.3	R828	S826-R828 PolarHBondContact O-N 2.89Å
827	S	41	Very low	54	Low	124 Å²	124	108.2 Å²	108.2	87%	0.867	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	46.5	178.1	-172.9	0	0	0	0	113.6
828	R	41.3	Very low	56.4	Low	235 Å²	235	102.8 Å²	102.8	89%	0.887	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.7	26.7	175.4	-130.3	178.4	-161.2	-92.5	2.7	115.8	S826 V830	S826-R828 PolarHBondContact O-N 2.89Å; R828-V830 PolarHBondContact O-N 3.13Å
829	Q	48.6	Very low	58.7	Low	130 Å²	130	99.4 Å²	99.4	61%	0.607	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-63.5	127.4	157	-77.8	-153.8	5.6	0	0	108.9	G831	Q829-G831 PolarHBondContact O-N 3Å
830	V	50.4	Low	60.8	Low	77 Å²	77	89.5 Å²	89.5	47%	0.467	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-63.2	119.4	172.4	-180	0	0	0	0	108	R769 R828	R769-V830 PolarHBondContact NH1-O 2.98Å; R769-V830 VanDerWaalsContact NH1-O 3.16Å; R769-V830 PolarHBondContact NH2-O 2.87Å; R828-V830 PolarHBondContact O-N 3.13Å
831	G	56.1	Low	62.9	Low	39 Å²	39	93.2 Å²	93.2	40%	0.402	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-68	131.3	175.8	0	0	0	0	0	110.3	Q829 N833	Q829-G831 PolarHBondContact O-N 3Å; G831-N833 PolarHBondContact O-N 2.83Å; G831-N833 PolarHBondContact O-ND2 2.74Å; G831-N833 VanDerWaalsContact O-ND2 3.16Å
832	A	60.4	Low	64.4	Low	16 Å²	16	87.2 Å²	87.2	13%	0.132	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-68.2	123.3	176.1	0	0	0	0	0	109.6	F756 L835	F756-A832 HydrophobicContact CE1-CB 4.28Å; F756-A832 HydrophobicContact CE2-CB 3.81Å; F756-A832 HydrophobicContact CZ-CB 3.43Å; F756-A832 VanDerWaalsContact CZ-CB 3.43Å; A832-L835 HydrophobicContact CB-CD1 4.35Å; A832-L835 HydrophobicContact CB-CD2 3.82Å; A832-L835 HydrophobicContact CB-CG 4.08Å
833	N	68.1	Low	65.5	Low	72 Å²	72	85 Å²	85	39%	0.385	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	157.8	178.6	-77	-80.7	0	0	0	110.4	G831 L835 T855 L857	G831-N833 PolarHBondContact O-N 2.83Å; G831-N833 PolarHBondContact O-ND2 2.74Å; G831-N833 VanDerWaalsContact O-ND2 3.16Å; N833-L835 VanDerWaalsContact C-N 3.31Å; N833-L835 PolarHBondContact O-N 2.81Å; N833-T855 PolarHBondContact N-O 2.85Å; N833-T855 PolarHBondContact O-N 2.63Å; N833-T855 PolarHBondContact O-OG1 2.82Å; N833-T855 VanDerWaalsContact O-OG1 3.07Å; N833-L857 HydrophobicContact CB-CD1 4.38Å
834	H	81.8	Confident	66.8	Low	147 Å²	147	85.8 Å²	85.8	68%	0.681	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.8	43.6	179.3	-52.1	-58.9	0	0	0	113.9
835	L	86.2	Confident	68.1	Low	24 Å²	24	79.7 Å²	79.7	13%	0.126	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	133	177.3	-76.1	166.7	0	0	0	112.3	F756 P810 V813 A832 N833 I852 L853	F756-L835 HydrophobicContact CD2-CD2 4.17Å; F756-L835 HydrophobicContact CE2-CD2 4.02Å; P810-L835 HydrophobicContact CB-CD1 4.49Å; P810-L835 HydrophobicContact CG-CD1 4.5Å; V813-L835 HydrophobicContact CG2-CD1 3.82Å; V813-L835 HydrophobicContact CG2-CD2 4.04Å; A832-L835 HydrophobicContact CB-CD1 4.35Å; A832-L835 HydrophobicContact CB-CD2 3.82Å; A832-L835 HydrophobicContact CB-CG 4.08Å; N833-L835 VanDerWaalsContact C-N 3.31Å; N833-L835 PolarHBondContact O-N 2.81Å; L835-I852 HydrophobicContact CD2-CG2 3.87Å; L835-L853 CarbonylContact C-O 3.58Å; L835-L853 WeakPolarHBondContact CA-O 3.17Å
836	F	89	Confident	69.5	Low	56 Å²	56	74.7 Å²	74.7	25%	0.246	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.4	172.5	68.6	-81.9	0	0	0	111.1	L753 V805 L838 L853	L753-F836 HydrophobicContact CD1-CE1 3.96Å; L753-F836 HydrophobicContact CD1-CZ 3.67Å; V805-F836 HydrophobicContact CG1-CB 4.42Å; V805-F836 HydrophobicContact CG1-CD2 3.98Å; F836-L838 HydrophobicContact CE2-CB 4.29Å; F836-L853 HydrophobicContact CD1-CB 4.2Å; F836-L853 HydrophobicContact CD2-CB 4.49Å; F836-L853 HydrophobicContact CE1-CB 3.79Å; F836-L853 HydrophobicContact CE2-CB 4.13Å; F836-L853 HydrophobicContact CE2-CD1 3.68Å; F836-L853 HydrophobicContact CE2-CG 4.46Å; F836-L853 HydrophobicContact CZ-CB 3.76Å; F836-L853 HydrophobicContact CZ-CD1 3.67Å; F836-L853 HydrophobicContact CZ-CG 4.36Å; F836-L853 PolarHBondContact N-O 2.83Å; F836-L853 PolarHBondContact O-N 3.42Å
837	R	89.2	Confident	71.3	Confident	78 Å²	78	76.9 Å²	76.9	29%	0.294	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.4	177.2	-169.4	177.8	-60.7	-93.1	-1.3	108.9	V805 G806 S808 D812 M851	V805-R837 WeakPolarHBondContact CA-O 3.24Å; G806-R837 PolarHBondContact N-O 2.98Å; G806-R837 PolarHBondContact O-N 3.29Å; S808-R837 PolarHBondContact OG-NH2 3.22Å; S808-R837 VanDerWaalsContact OG-NH2 3.16Å; D812-R837 IonicContact OD1-NH2 3.23Å; D812-R837 IonicContact OD2-NH2 2.69Å; D812-R837 PolarHBondContact OD2-NH2 3.24Å; R837-M851 WeakPolarHBondContact CA-O 3.48Å
838	L	90.6	Very high	73.3	Confident	7 Å²	7	80.4 Å²	80.4	4%	0.037	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.2	174.8	-175.7	73.7	0	0	0	108.7	F774 L781 I803 V805 F836 F840 A850 M851 L853	F774-L838 HydrophobicContact CE1-CD2 3.74Å; F774-L838 HydrophobicContact CZ-CD2 4.1Å; L781-L838 HydrophobicContact CD2-CD1 4.35Å; L781-L838 HydrophobicContact CD2-CD2 3.83Å; I803-L838 HydrophobicContact CG2-CD1 3.45Å; I803-L838 VanDerWaalsContact CG2-CD1 3.45Å; V805-L838 HydrophobicContact CG2-CD1 3.81Å; F836-L838 HydrophobicContact CE2-CB 4.29Å; L838-F840 HydrophobicContact CD2-CD1 4.08Å; L838-F840 HydrophobicContact CD2-CE1 4.12Å; L838-F840 HydrophobicContact CG-CD1 4.04Å; L838-F840 HydrophobicContact CG-CE1 4.46Å; L838-A850 WeakPolarHBondContact O-CA 3.5Å; L838-M851 HydrophobicContact CD2-CE 4.23Å; L838-M851 PolarHBondContact N-O 3.42Å; L838-M851 PolarHBondContact O-N 3.27Å; L838-L853 HydrophobicContact CB-CD1 3.69Å; L838-L853 HydrophobicContact CB-CG 4.41Å; L838-L853 HydrophobicContact CD2-CD1 3.72Å; L838-L853 HydrophobicContact CG-CD1 4.31Å
839	C	89.8	Confident	75.3	Confident	38 Å²	38	71.2 Å²	71.2	26%	0.257	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.2	174.2	-68.4	0	0	0	0	109.4	Q804 V849	Q804-C839 HydrophobicContact CB-CB 4.31Å; Q804-C839 PolarHBondContact N-O 2.89Å; Q804-C839 PolarHBondContact O-N 3.02Å; C839-V849 WeakPolarHBondContact CA-O 3.12Å
840	F	89.2	Confident	77	Confident	11 Å²	11	68 Å²	68	5%	0.048	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163.7	177.2	60.4	-84.6	0	0	0	111	V783 D796 A798 Q802 I803 L838 K848 V849 M851	V783-F840 HydrophobicContact CG2-CZ 4.16Å; D796-F840 HydrophobicContact CB-CE2 4.19Å; A798-F840 HydrophobicContact CB-CB 3.79Å; A798-F840 HydrophobicContact CB-CD2 3.73Å; A798-F840 HydrophobicContact CB-CG 4.06Å; Q802-F840 WeakPolarHBondContact O-CA 3.3Å; I803-F840 HydrophobicContact CG1-CB 4.22Å; L838-F840 HydrophobicContact CD2-CD1 4.08Å; L838-F840 HydrophobicContact CD2-CE1 4.12Å; L838-F840 HydrophobicContact CG-CD1 4.04Å; L838-F840 HydrophobicContact CG-CE1 4.46Å; F840-K848 CarbonylContact O-C 3.6Å; F840-K848 WeakPolarHBondContact O-CA 3.5Å; F840-V849 HydrophobicContact CD1-CB 4.41Å; F840-V849 HydrophobicContact CD2-CB 4.23Å; F840-V849 HydrophobicContact CE1-CB 3.99Å; F840-V849 HydrophobicContact CE1-CG1 3.72Å; F840-V849 HydrophobicContact CE2-CB 3.8Å; F840-V849 HydrophobicContact CE2-CG1 4.11Å; F840-V849 HydrophobicContact CE2-CG2 4.14Å; F840-V849 HydrophobicContact CZ-CB 3.67Å; F840-V849 HydrophobicContact CZ-CG1 3.47Å; F840-V849 VanDerWaalsContact CZ-CG1 3.47Å; F840-V849 HydrophobicContact CZ-CG2 4.33Å; F840-V849 PolarHBondContact N-O 3.14Å; F840-V849 PolarHBondContact O-N 3.4Å; F840-M851 HydrophobicContact CE1-CE 3.7Å; F840-M851 HydrophobicContact CZ-CE 4.03Å
841	R	82.8	Confident	78.8	Confident	129 Å²	129	65.6 Å²	65.6	49%	0.487	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.6	170.5	-163.2	177	-171.2	-172.9	-2.4	109.6	N843 S846 E847	R841-N843 PolarHBondContact O-N 2.99Å; R841-S846 WeakPolarHBondContact CG-O 3.19Å; R841-S846 PolarHBondContact NE-O 3.35Å; R841-E847 CarbonylContact C-O 3.58Å; R841-E847 WeakPolarHBondContact CA-O 3.48Å
842	S	75	Confident	80.3	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.014	33%	0.329	C	S	.	.			trans	-64.6	128.7	172.2	-179.3	0	0	0	0	109.9	D796 H844 S845 S846 E847	D796-S842 PolarHBondContact OD1-OG 2.78Å; D796-S842 WeakPolarHBondContact OD2-CA 3.1Å; D796-S842 WeakPolarHBondContact OD2-CB 3.48Å; D796-S842 PolarHBondContact OD2-OG 2.95Å; S842-H844 PolarHBondContact O-N 2.89Å; S842-H844 PolarHBondContact OG-CE1 3.16Å; S842-H844 VanDerWaalsContact OG-CE1 3.31Å; S842-H844 PolarHBondContact OG-N 2.98Å; S842-H844 PolarHBondContact OG-ND1 3.18Å; S842-S845 WeakPolarHBondContact CB-OG 3.45Å; S842-S845 PolarHBondContact OG-N 3.16Å; S842-S846 WeakPolarHBondContact O-CA 3.46Å; S842-S846 PolarHBondContact O-N 2.98Å; S842-E847 PolarHBondContact N-O 3.35Å
843	N	68.9	Low	81.6	Confident	81 Å²	81	64 Å²	64	43%	0.433	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.3	176.6	-164.4	60.5	0	0	0	113.2	Y797 R841	Y797-N843 HydrophobicContact CD2-CB 4.06Å; Y797-N843 HydrophobicContact CE2-CB 3.68Å; Y797-N843 WeakPolarHBondContact CE2-ND2 3.47Å; Y797-N843 PolarHBondContact OH-ND2 2.89Å; R841-N843 PolarHBondContact O-N 2.99Å
844	H	67.7	Low	82.5	Confident	101 Å²	101	60.6 Å²	60.6	47%	0.468	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-31	-178.4	72.7	-88.7	0	0	0	114.1	I735 D796 S842	I735-H844 HydrophobicContact CB-CB 4.26Å; I735-H844 HydrophobicContact CD1-CB 4.45Å; I735-H844 HydrophobicContact CG2-CB 4.35Å; D796-H844 VanDerWaalsContact CG-CE1 3.43Å; D796-H844 VanDerWaalsContact CG-ND1 3.28Å; D796-H844 IonicContact OD1-CE1 2.71Å; D796-H844 PolarHBondContact OD1-CE1 2.68Å; D796-H844 IonicContact OD1-ND1 3.08Å; D796-H844 PolarHBondContact OD1-ND1 3.08Å; D796-H844 IonicContact OD2-CE1 3.35Å; D796-H844 PolarHBondContact OD2-CE1 2.89Å; D796-H844 IonicContact OD2-ND1 2.61Å; S842-H844 PolarHBondContact O-N 2.89Å; S842-H844 PolarHBondContact OG-CE1 3.16Å; S842-H844 VanDerWaalsContact OG-CE1 3.31Å; S842-H844 PolarHBondContact OG-N 2.98Å; S842-H844 PolarHBondContact OG-ND1 3.18Å
845	S	68.9	Low	82.5	Confident	48 Å²	48	56 Å²	56	34%	0.336	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-10.7	170.3	75.2	0	0	0	0	114.6	S842 E847	S842-S845 WeakPolarHBondContact CB-OG 3.45Å; S842-S845 PolarHBondContact OG-N 3.16Å; S845-E847 WeakPolarHBondContact CB-OE2 3.19Å; S845-E847 PolarHBondContact O-N 2.84Å; S845-E847 VanDerWaalsContact O-N 3.16Å; S845-E847 WeakPolarHBondContact OG-CB 3.48Å; S845-E847 WeakPolarHBondContact OG-CG 3.49Å; S845-E847 PolarHBondContact OG-N 3.18Å; S845-E847 PolarHBondContact OG-OE2 3.44Å
846	S	72.7	Confident	81.6	Confident	69 Å²	69	58.2 Å²	58.2	48%	0.483	30%	0.296	S	S	.	.			trans	62.5	3.5	-170.2	-80.5	0	0	0	0	115.9	R841 S842	R841-S846 WeakPolarHBondContact CG-O 3.19Å; R841-S846 PolarHBondContact NE-O 3.35Å; S842-S846 WeakPolarHBondContact O-CA 3.46Å; S842-S846 PolarHBondContact O-N 2.98Å
847	E	79.4	Confident	79.7	Confident	130 Å²	130	60.5 Å²	60.5	61%	0.607	31%	0.311	S	S	*	.	S	Bend	trans	-79.5	166.5	179.4	-60.6	166.3	131.2	0	0	112.3	R841 S842 S845	R841-E847 CarbonylContact C-O 3.58Å; R841-E847 WeakPolarHBondContact CA-O 3.48Å; S842-E847 PolarHBondContact N-O 3.35Å; S845-E847 WeakPolarHBondContact CB-OE2 3.19Å; S845-E847 PolarHBondContact O-N 2.84Å; S845-E847 VanDerWaalsContact O-N 3.16Å; S845-E847 WeakPolarHBondContact OG-CB 3.48Å; S845-E847 WeakPolarHBondContact OG-CG 3.49Å; S845-E847 PolarHBondContact OG-N 3.18Å; S845-E847 PolarHBondContact OG-OE2 3.44Å
848	K	82.3	Confident	77.3	Confident	198 Å²	198	69.4 Å²	69.4	86%	0.861	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	106.9	171.5	-69.5	-176	178.8	-178.7	0	109.9	F840	F840-K848 CarbonylContact O-C 3.6Å; F840-K848 WeakPolarHBondContact O-CA 3.5Å
849	V	83.9	Confident	76.6	Confident	43 Å²	43	72.5 Å²	72.5	26%	0.261	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.8	171.9	179.1	0	0	0	0	108.8	C839 F840 M851	C839-V849 WeakPolarHBondContact CA-O 3.12Å; F840-V849 HydrophobicContact CD1-CB 4.41Å; F840-V849 HydrophobicContact CD2-CB 4.23Å; F840-V849 HydrophobicContact CE1-CB 3.99Å; F840-V849 HydrophobicContact CE1-CG1 3.72Å; F840-V849 HydrophobicContact CE2-CB 3.8Å; F840-V849 HydrophobicContact CE2-CG1 4.11Å; F840-V849 HydrophobicContact CE2-CG2 4.14Å; F840-V849 HydrophobicContact CZ-CB 3.67Å; F840-V849 HydrophobicContact CZ-CG1 3.47Å; F840-V849 VanDerWaalsContact CZ-CG1 3.47Å; F840-V849 HydrophobicContact CZ-CG2 4.33Å; F840-V849 PolarHBondContact N-O 3.14Å; F840-V849 PolarHBondContact O-N 3.4Å; V849-M851 HydrophobicContact CG1-CG 4.29Å
850	A	85.4	Confident	75.9	Confident	62 Å²	62	74.3 Å²	74.3	51%	0.512	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.1	174	0	0	0	0	0	109.6	L838	L838-A850 WeakPolarHBondContact O-CA 3.5Å
851	M	86.6	Confident	75.2	Confident	27 Å²	27	77.8 Å²	77.8	13%	0.133	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.1	172.5	-70.9	-166.3	-75.9	0	0	110.4	A755 F774 V783 R837 L838 F840 V849 L853	A755-M851 HydrophobicContact CB-SD 4.25Å; F774-M851 HydrophobicContact CE1-CE 4.02Å; F774-M851 HydrophobicContact CZ-CE 3.72Å; V783-M851 HydrophobicContact CG1-CE 3.72Å; V783-M851 HydrophobicContact CG2-CE 4.17Å; R837-M851 WeakPolarHBondContact CA-O 3.48Å; L838-M851 HydrophobicContact CD2-CE 4.23Å; L838-M851 PolarHBondContact N-O 3.42Å; L838-M851 PolarHBondContact O-N 3.27Å; F840-M851 HydrophobicContact CE1-CE 3.7Å; F840-M851 HydrophobicContact CZ-CE 4.03Å; V849-M851 HydrophobicContact CG1-CG 4.29Å; M851-L853 HydrophobicContact CB-CD2 3.96Å; M851-L853 HydrophobicContact CB-CG 4.08Å; M851-L853 HydrophobicContact CE-CD2 4.49Å; M851-L853 HydrophobicContact SD-CD2 4.22Å
852	I	88.1	Confident	74.7	Confident	20 Å²	20	74.8 Å²	74.8	10%	0.103	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.1	159.9	-61.6	171	0	0	0	106.5	A755 F756 D812 V813 L835	A755-I852 WeakPolarHBondContact CA-O 3.19Å; F756-I852 HydrophobicContact CB-CB 4.27Å; F756-I852 HydrophobicContact CB-CG2 4.4Å; F756-I852 HydrophobicContact CD2-CG2 4.28Å; F756-I852 PolarHBondContact N-O 3.2Å; D812-I852 HydrophobicContact CB-CD1 4.2Å; V813-I852 HydrophobicContact CG2-CG2 4.1Å; L835-I852 HydrophobicContact CD2-CG2 3.87Å
853	L	89	Confident	74.7	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.005	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.6	-176	-60.5	175.7	0	0	0	109.6	L753 T754 A755 V772 F774 L835 F836 L838 M851	L753-L853 HydrophobicContact CD1-CB 4.42Å; L753-L853 HydrophobicContact CD1-CD1 4.22Å; T754-L853 WeakPolarHBondContact O-CA 3.25Å; A755-L853 HydrophobicContact CB-CD2 3.72Å; V772-L853 HydrophobicContact CG2-CD2 4.14Å; F774-L853 HydrophobicContact CE1-CD1 4.33Å; F774-L853 HydrophobicContact CE2-CD1 3.82Å; F774-L853 HydrophobicContact CE2-CD2 4Å; F774-L853 HydrophobicContact CZ-CD1 3.45Å; F774-L853 VanDerWaalsContact CZ-CD1 3.45Å; F774-L853 HydrophobicContact CZ-CD2 3.92Å; F774-L853 HydrophobicContact CZ-CG 4.36Å; L835-L853 CarbonylContact C-O 3.58Å; L835-L853 WeakPolarHBondContact CA-O 3.17Å; F836-L853 HydrophobicContact CD1-CB 4.2Å; F836-L853 HydrophobicContact CD2-CB 4.49Å; F836-L853 HydrophobicContact CE1-CB 3.79Å; F836-L853 HydrophobicContact CE2-CB 4.13Å; F836-L853 HydrophobicContact CE2-CD1 3.68Å; F836-L853 HydrophobicContact CE2-CG 4.46Å; F836-L853 HydrophobicContact CZ-CB 3.76Å; F836-L853 HydrophobicContact CZ-CD1 3.67Å; F836-L853 HydrophobicContact CZ-CG 4.36Å; F836-L853 PolarHBondContact N-O 2.83Å; F836-L853 PolarHBondContact O-N 3.42Å; L838-L853 HydrophobicContact CB-CD1 3.69Å; L838-L853 HydrophobicContact CB-CG 4.41Å; L838-L853 HydrophobicContact CD2-CD1 3.72Å; L838-L853 HydrophobicContact CG-CD1 4.31Å; M851-L853 HydrophobicContact CB-CD2 3.96Å; M851-L853 HydrophobicContact CB-CG 4.08Å; M851-L853 HydrophobicContact CE-CD2 4.49Å; M851-L853 HydrophobicContact SD-CD2 4.22Å
854	G	85.9	Confident	75.1	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	172.8	172.6	0	0	0	0	0	112.2	T754	T754-G854 PolarHBondContact N-O 3.32Å; T754-G854 PolarHBondContact O-N 3.29Å
855	T	82.2	Confident	75.6	Confident	51 Å²	51	77.7 Å²	77.7	31%	0.313	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.6	167.8	52.7	0	0	0	0	109	L753 N833	L753-T855 HydrophobicContact CD2-CG2 3.78Å; N833-T855 PolarHBondContact N-O 2.85Å; N833-T855 PolarHBondContact O-N 2.63Å; N833-T855 PolarHBondContact O-OG1 2.82Å; N833-T855 VanDerWaalsContact O-OG1 3.07Å
856	E	66.4	Low	76.1	Confident	70 Å²	70	80 Å²	80	33%	0.327	41%	0.414	S	S	.	.			trans	-71.3	156.5	162	-74.7	173.5	138.4	0	0	110.1	T754 R769 H771	T754-E856 HydrophobicContact CG2-CG 4.31Å; T754-E856 WeakPolarHBondContact CG2-OE2 3.38Å; T754-E856 PolarHBondContact OG1-OE2 2.99Å; R769-E856 WeakPolarHBondContact CD-OE1 3.45Å; R769-E856 IonicContact CZ-OE1 3.64Å; R769-E856 IonicContact NE-OE1 3.77Å; R769-E856 IonicContact NH1-OE1 3.71Å; R769-E856 PolarHBondContact NH1-OE1 3.17Å; H771-E856 IonicContact CE1-OE2 3.93Å
857	L	49.7	Very low	76.4	Confident	105 Å²	105	80.9 Å²	80.9	55%	0.55	41%	0.409	S	S	.	.			trans	-124.1	121	-175.5	-139.4	152.8	0	0	0	106.2	N833	N833-L857 HydrophobicContact CB-CD1 4.38Å
858	E	38	Very low	76.1	Confident	264 Å²	264	76.5 Å²	76.5	100%	1.234	39%	0.391	S	S	*	.			trans	-72.5	0	170.5	-64.3	-175.5	130	0	0	111

Retrieved 858 of 858 residues in 688.6 ms (Link to these results)

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