A0A3Q0KNB4_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KNB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,131 aa.

						>A0A3Q0KNB4_SCHMA|A0A3Q0KNB4
MPLHVDPRKHELLEARIQGTNHIRSTNNAPPSTKSDSYASGYMFPITEEPSRTPEHSVLRGSSSPFSSVGEHDLSTSSSEIKPVSTVVPSISVEVNERIPSAADPGKKLHNPNCHNINRLEVTSPSLNVQNSQIHVQTQEDYVTSPTTPKKRRIPSSSAGESDNTSNDGLLTSLVKSDERFIEASAPGIPANPIGSPQGLQYVSRSNSIHTPTTVAGNSPVKQPYTFVEEKNVPYPTFQISVQPSAAFIETNNPTYHLSPSIGPLTPTPGGQGDSLPSRNGTKKRRKLVSSDEGHIPKPKKIVCQERGSKRIDEIFKFMPGPLYSSCGSTSPTQNPRLQSPSPTGAHSLDNQMVGVNHNYIPSLNEAVTTSCASNDQMIITSVTGVQYANNAAAFQLSPVRASSTASLSDSSGDNPVSMVGLSMVANVNANPTSCTIPCNATPLPTYSNLQLPANPNSSYPQVGQPSVGYLSSGSCPNNPMTSNVPAVSGSSTNNFRSHVGVQTDETVTPLSTAECVESSQCTNITTLHNNPTLVTTGGPASSVPLTAVESLQRRIADLEHETVVQRETITKLQDNAIRSREMIRELLIEKSLLERKTTRQKVMENRLRLGQFITQRQGAHFEEKWIEGSRFKELDQRRKNIELVREEIERKKKQWNKRKPNVGDAKKSTKSKYDEVSVDEFYEQLEIYDLRKQMLVKEDKEIQMELERLDRERNLHIREIKRISNEDASRFKDHPLLNERYLLLNLLGKGGFSEVHKGFDLVANRYVACKIHQLNPSWPKDKKDNYIKHALREIEIHKTLHHPRIVKVFDVFDIDHDAFCTVLEYSEGNDLDFFLKQNKSIPEREAKSIICQVVSALKYLNERKPPVIHYDLKPGNILLGSGQVAGEIKITDFGLSKLMTEDKYNPETGMDLTSQGAGTYWYLPPECFETGREPPKISSKVDIWSVGVIFFQCLFGKKPFGHNMSQADILHENTILHARSIVFPSTTKVSDGAKEFIRKCCTYRKDLRPDVFQLSNDDYLKPKAQLKHYLDTSTLPGPVGVPLNMATPPPSTCIDPSVPTPGSNQCIISGFLTNNPGNCASQLHPQHILQHQPQATSFSVLQNQEATPSSQPSTLQPSNQTDFITRRCIS
					

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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	37	Very low	36.8	Very low	209 Å²	209	158.3 Å²	158.3	100%	1.03	79%	0.79	S	S	*	*				0	93.2	0	-72.1	-60.1	-170.3	0	0	109.6	L3 I570	M1-L3 PolarHBondContact O-N 3.35Å; M1-I570 HydrophobicContact CE-CD1 4.28Å
2	P	34.4	Very low	36.6	Very low	128 Å²	128	160.1 Å²	160.1	83%	0.831	80%	0.803	S	S	*	*			trans	-92.1	94.2	179.7	34.1	-29.5	0	0	0	111.3	H4	P2-H4 PolarHBondContact O-N 2.81Å
3	L	41.2	Very low	36.2	Very low	165 Å²	165	157.2 Å²	157.2	86%	0.864	79%	0.791	S	S	*	*			trans	-91.2	80.2	172.2	-78.3	174.1	0	0	0	111.4	M1 V5	M1-L3 PolarHBondContact O-N 3.35Å; L3-V5 PolarHBondContact O-N 3.01Å
4	H	32.7	Very low	36	Very low	171 Å²	171	159.6 Å²	159.6	79%	0.792	80%	0.798	S	S	*	*			trans	14.5	90.3	140.8	-153.4	77.1	0	0	0	116.4	P2	P2-H4 PolarHBondContact O-N 2.81Å
5	V	40.1	Very low	35.7	Very low	136 Å²	136	155.1 Å²	155.1	82%	0.824	80%	0.796	S	S	*	*			trans	-85.1	120.5	162.7	177.9	0	0	0	0	107.9	L3 P7	L3-V5 PolarHBondContact O-N 3.01Å; V5-P7 WeakPolarHBondContact O-CD 3.19Å
6	D	38.3	Very low	35.3	Very low	87 Å²	87	160.9 Å²	160.9	47%	0.465	80%	0.804	S	S	.	*			trans	-68.7	121.8	-176.3	-177.3	4.5	0	0	0	111.8	R8	D6-R8 PolarHBondContact O-N 3.14Å; D6-R8 VanDerWaalsContact OD1-CB 3.25Å; D6-R8 WeakPolarHBondContact OD1-CB 3.33Å; D6-R8 WeakPolarHBondContact OD1-CD 3.03Å; D6-R8 WeakPolarHBondContact OD1-CG 3.35Å; D6-R8 PolarHBondContact OD1-N 3.43Å
7	P	36.4	Very low	35.3	Very low	107 Å²	107	160 Å²	160	70%	0.695	80%	0.801	S	S	*	*	S	Bend	trans	-64.5	-18.1	175.5	-22.7	34.9	0	0	0	114.7	V5 K9	V5-P7 WeakPolarHBondContact O-CD 3.19Å; P7-K9 PolarHBondContact O-N 3.42Å
8	R	35.4	Very low	35.1	Very low	203 Å²	203	161.7 Å²	161.7	77%	0.766	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	29.6	-163.5	-60.2	169.1	-177.2	178.3	3	115.7	D6	D6-R8 PolarHBondContact O-N 3.14Å; D6-R8 VanDerWaalsContact OD1-CB 3.25Å; D6-R8 WeakPolarHBondContact OD1-CB 3.33Å; D6-R8 WeakPolarHBondContact OD1-CD 3.03Å; D6-R8 WeakPolarHBondContact OD1-CG 3.35Å; D6-R8 PolarHBondContact OD1-N 3.43Å
9	K	36.9	Very low	35.2	Very low	197 Å²	197	156.8 Å²	156.8	86%	0.857	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	5.5	172.6	-80.9	-165.4	174.7	-175.6	0	115.6	P7	P7-K9 PolarHBondContact O-N 3.42Å
10	H	39.6	Very low	35.2	Very low	171 Å²	171	155.8 Å²	155.8	79%	0.792	80%	0.802	S	S	*	*	S	Bend	trans	-112.4	15.8	168.2	-142.6	-70.5	0	0	0	113.8
11	E	33.4	Very low	35.3	Very low	167 Å²	167	156.3 Å²	156.3	78%	0.78	81%	0.807	S	S	*	*			trans	-110.6	35.4	176.9	-155.6	167.6	-140.9	0	0	111.8
12	L	33.5	Very low	35.2	Very low	180 Å²	180	154.8 Å²	154.8	94%	0.942	80%	0.797	S	S	*	*			trans	-96.6	36.5	153	-90.9	170.3	0	0	0	110.4
13	L	31.9	Very low	35.1	Very low	123 Å²	123	156.4 Å²	156.4	64%	0.644	80%	0.797	S	S	*	*	S	Bend	trans	-73.2	172.4	164.1	-158.8	70.1	0	0	0	109.7	A15	L13-A15 PolarHBondContact O-N 3.39Å
14	E	33.8	Very low	34.7	Very low	191 Å²	191	159.4 Å²	159.4	89%	0.893	80%	0.797	S	S	*	*	S	Bend	trans	-47.3	83.3	178.1	-58.8	170.7	128.1	0	0	114.5
15	A	30.8	Very low	34.7	Very low	92 Å²	92	155.9 Å²	155.9	76%	0.76	79%	0.791	S	S	*	*			trans	-136.1	66.2	-178.1	0	0	0	0	0	112.9	L13	L13-A15 PolarHBondContact O-N 3.39Å
16	R	30.1	Very low	34.5	Very low	248 Å²	248	154.8 Å²	154.8	94%	0.936	79%	0.785	S	S	*	*	S	Bend	trans	-137.2	10.9	169.1	-150.2	179.3	173.7	137.7	2.9	115.1
17	I	34.4	Very low	34.3	Very low	145 Å²	145	157 Å²	157	74%	0.744	80%	0.797	S	S	*	*	S	Bend	trans	-135.9	128.6	176.1	-65.2	-178.5	0	0	0	108.4
18	Q	32.8	Very low	34.2	Very low	190 Å²	190	159.3 Å²	159.3	89%	0.888	80%	0.803	S	S	*	*			trans	73.8	136.2	175.9	-65.4	162.8	32.5	0	0	118.8
19	G	36.1	Very low	34.3	Very low	69 Å²	69	153.7 Å²	153.7	71%	0.711	80%	0.801	S	S	*	*			trans	89.7	127.3	167.5	0	0	0	0	0	116.4
20	T	35.2	Very low	34.4	Very low	136 Å²	136	150.5 Å²	150.5	83%	0.834	80%	0.8	S	S	*	*			cis	-161.6	142.4	-20.8	-2.2	0	0	0	0	107.7
21	N	37.1	Very low	34.6	Very low	168 Å²	168	148.4 Å²	148.4	90%	0.898	80%	0.802	S	S	*	*			trans	-155.9	138.3	155.8	-106.5	-46.4	0	0	0	110.6
22	H	34.4	Very low	34.6	Very low	177 Å²	177	145.3 Å²	145.3	82%	0.819	80%	0.798	S	S	*	*			trans	-77.6	156.2	-178.7	-68	-71.7	0	0	0	112.3
23	I	34	Very low	34.8	Very low	161 Å²	161	142.2 Å²	142.2	83%	0.826	79%	0.787	S	S	*	*				-171.3	126.5	111.1	-94.3	155.6	0	0	0	111.8
24	R	32.2	Very low	34.9	Very low	228 Å²	228	145 Å²	145	86%	0.86	79%	0.794	S	S	*	*			trans	32.7	123	155.2	-74.2	-176.4	169.6	-179.7	-3.6	122.7
25	S	32.3	Very low	34.8	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	78%	0.783	S	S	*	*				109.3	129.6	114.7	-80	0	0	0	0	122
26	T	35.3	Very low	35	Very low	112 Å²	112	144 Å²	144	69%	0.687	79%	0.789	S	S	*	*			trans	78.4	101.5	139.4	50.3	0	0	0	0	122.2
27	N	34.4	Very low	35	Very low	133 Å²	133	136.7 Å²	136.7	71%	0.711	78%	0.776	S	S	*	*				99.3	127.5	118.8	-63.9	-1.3	0	0	0	120.8
28	N	35.2	Very low	34.9	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	78%	0.782	S	S	*	*			trans	70.5	147.5	154.9	-51.8	-16.2	0	0	0	118.1
29	A	36.6	Very low	34.9	Very low	86 Å²	86	135.1 Å²	135.1	71%	0.711	77%	0.772	S	S	*	*			cis	-167.5	139.5	-28.2	0	0	0	0	0	108.4
30	P	38.6	Very low	34.8	Very low	129 Å²	129	137.8 Å²	137.8	84%	0.838	78%	0.779	S	S	*	*			trans	-103.1	154.2	177.2	37.6	-32.5	0	0	0	113.5
31	P	44.5	Very low	34.7	Very low	128 Å²	128	133.8 Å²	133.8	83%	0.831	77%	0.766	S	S	*	*			trans	-125.4	151	152.2	36.5	-25.6	0	0	0	113.5
32	S	32.9	Very low	34.5	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	77%	0.768	S	S	*	*			trans	-88.6	166	174.6	53.5	0	0	0	0	112.6
33	T	37.3	Very low	34.4	Very low	115 Å²	115	136.1 Å²	136.1	71%	0.706	77%	0.765	S	S	*	*				166.8	152.3	116.2	35.3	0	0	0	0	114
34	K	35.2	Very low	34.3	Very low	183 Å²	183	138.4 Å²	138.4	80%	0.796	77%	0.769	S	S	*	*			trans	59.6	124.3	151.9	-66.9	164.5	-179.2	-177.6	0	117.9
35	S	30.6	Very low	34.4	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	75%	0.754	S	S	*	*				72.1	116.7	50.5	82.1	0	0	0	0	114.8
36	D	34.8	Very low	34.3	Very low	165 Å²	165	134 Å²	134	88%	0.882	76%	0.758	S	S	*	*			trans	-170.8	179.6	130.5	-92.2	-15	0	0	0	110.6
37	S	30.2	Very low	34.2	Very low	94 Å²	94	135.6 Å²	135.6	66%	0.657	77%	0.767	S	S	*	*			trans	-137.8	-157	-163.3	63	0	0	0	0	113.1
38	Y	32.8	Very low	34	Very low	220 Å²	220	137.7 Å²	137.7	86%	0.863	77%	0.773	S	S	*	*			trans	74.7	151.6	-177	-59.1	-93.2	0	0	0	116.4
39	A	32.8	Very low	33.9	Very low	82 Å²	82	138.2 Å²	138.2	68%	0.678	77%	0.771	S	S	*	*			cis	-171.3	172.7	-25.6	0	0	0	0	0	110.9
40	S	34.9	Very low	34	Very low	125 Å²	125	139.6 Å²	139.6	87%	0.874	77%	0.772	S	S	*	*			trans	74.2	140.9	167	-153.8	0	0	0	0	117.2
41	G	32	Very low	33.8	Very low	53 Å²	53	137.7 Å²	137.7	55%	0.546	76%	0.762	S	S	.	*			cis	143	118.6	-10	0	0	0	0	0	114.2
42	Y	33.8	Very low	33.3	Very low	241 Å²	241	142.6 Å²	142.6	95%	0.945	76%	0.764	S	S	*	*			trans	-149.6	145.3	157.8	-94.5	-71.8	0	0	0	110
43	M	31.1	Very low	33.5	Very low	153 Å²	153	143.8 Å²	143.8	75%	0.754	77%	0.767	S	S	*	*			trans	-149.8	135.5	-168.2	168.9	-178	166.7	0	0	110	P45	M43-P45 HydrophobicContact CE-CB 4.5Å; M43-P45 HydrophobicContact CE-CG 3.91Å
44	F	32.1	Very low	33.5	Very low	209 Å²	209	143.3 Å²	143.3	92%	0.917	77%	0.766	S	S	*	*			trans	-147.2	122.4	165.2	-97.9	-75.3	0	0	0	109.5
45	P	34.8	Very low	33.5	Very low	82 Å²	82	142.1 Å²	142.1	53%	0.532	76%	0.763	S	S	.	*			trans	-126.2	175.5	-174.9	46.3	-36.3	0	0	0	114.2	M43	M43-P45 HydrophobicContact CE-CB 4.5Å; M43-P45 HydrophobicContact CE-CG 3.91Å
46	I	29.5	Very low	33.8	Very low	151 Å²	151	145 Å²	145	77%	0.774	77%	0.766	S	S	*	*			trans	62.8	114.8	162.7	-54.9	168.8	0	0	0	117.5
47	T	33.3	Very low	33.5	Very low	145 Å²	145	141.4 Å²	141.4	89%	0.89	75%	0.753	S	S	*	*				-153.9	138.2	124.1	11.9	0	0	0	0	110.5
48	E	30.3	Very low	33.7	Very low	178 Å²	178	142.6 Å²	142.6	83%	0.832	76%	0.756	S	S	*	*			trans	-98.9	149.3	171.3	-58.4	179.5	133.5	0	0	109.7
49	E	34.4	Very low	33.5	Very low	167 Å²	167	139.2 Å²	139.2	78%	0.78	75%	0.753	S	S	*	*			trans	-155.9	101.8	161.1	-122.1	-62.9	145.8	0	0	109.4
50	P	37.1	Very low	33.5	Very low	115 Å²	115	147.3 Å²	147.3	75%	0.747	77%	0.766	S	S	*	*			trans	-111.1	116.5	-180	35.2	-25.4	0	0	0	112.8
51	S	35	Very low	33.3	Very low	89 Å²	89	144.2 Å²	144.2	62%	0.622	75%	0.754	S	S	*	*			trans	-142.4	122.7	168.7	54.4	0	0	0	0	112.1
52	R	35.3	Very low	33.4	Very low	231 Å²	231	147.1 Å²	147.1	87%	0.872	77%	0.766	S	S	*	*				73.1	134.3	101	-65.2	-177.9	-171.6	-157.4	2.7	113.8
53	T	35.6	Very low	33.4	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	75%	0.754	S	S	*	*			cis	-155.3	167.2	2.3	5.8	0	0	0	0	109.7
54	P	37.7	Very low	33.4	Very low	106 Å²	106	138.1 Å²	138.1	69%	0.688	75%	0.753	S	S	*	*			trans	-95.7	-142.7	-172.1	39.6	-33.2	0	0	0	112.5
55	E	34.3	Very low	33.8	Very low	158 Å²	158	134 Å²	134	74%	0.738	75%	0.748	S	S	*	*			trans	81.4	148.7	175	-57.8	177.2	-154.9	0	0	116.1
56	H	36.9	Very low	33.4	Very low	156 Å²	156	139.4 Å²	139.4	72%	0.722	76%	0.763	S	S	*	*			cis	-145	153	-13.9	-125.4	-59.6	0	0	0	111.8
57	S	29.1	Very low	33.4	Very low	89 Å²	89	137.6 Å²	137.6	62%	0.622	76%	0.763	S	S	*	*			trans	-43.8	167.6	165.4	51.3	0	0	0	0	118.8
58	V	34.2	Very low	33.4	Very low	119 Å²	119	135.2 Å²	135.2	72%	0.721	75%	0.753	S	S	*	*			trans	136.5	102.8	139.5	174.3	0	0	0	0	114.4
59	L	28.8	Very low	33.5	Very low	150 Å²	150	133.2 Å²	133.2	79%	0.785	75%	0.752	S	S	*	*			trans	31.5	149.7	131	-56.6	166.1	0	0	0	123.1
60	R	32.4	Very low	33.5	Very low	251 Å²	251	128 Å²	128	95%	0.947	74%	0.744	S	S	*	*			trans	78.9	145.3	169.3	-48.2	179.2	-171.9	-140.7	-0.2	114
61	G	32.4	Very low	33.4	Very low	61 Å²	61	130.1 Å²	130.1	63%	0.629	74%	0.744	S	S	*	*			cis	167.5	-178.4	-3.8	0	0	0	0	0	110.9
62	S	33.5	Very low	33.6	Very low	113 Å²	113	133 Å²	133	79%	0.79	75%	0.747	S	S	*	*			trans	51	101.6	165.3	43.8	0	0	0	0	117.6
63	S	33.6	Very low	33.5	Very low	101 Å²	101	128 Å²	128	71%	0.706	74%	0.737	S	S	*	*				74.4	128.2	77.7	73	0	0	0	0	116
64	S	31.7	Very low	33.5	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	74%	0.736	S	S	*	*			trans	23	140.8	139.2	62.3	0	0	0	0	120
65	P	39.1	Very low	33.3	Very low	124 Å²	124	128.3 Å²	128.3	81%	0.805	74%	0.736	S	S	*	*				-154.6	-179.1	59.3	43.1	-22.4	0	0	0	120
66	F	27.4	Very low	33.3	Very low	194 Å²	194	126.4 Å²	126.4	85%	0.851	74%	0.735	S	S	*	*			trans	-39.3	165	163.5	-98.3	-110.9	0	0	0	119.1
67	S	29.3	Very low	33.2	Very low	113 Å²	113	124.1 Å²	124.1	79%	0.79	74%	0.737	S	S	*	*			trans	75.4	160.9	150.8	77.9	0	0	0	0	116.9
68	S	32.8	Very low	33.4	Very low	95 Å²	95	125.2 Å²	125.2	66%	0.664	74%	0.744	S	S	*	*			cis	-154.4	140.5	15.5	61.7	0	0	0	0	115.4
69	V	33.4	Very low	33.5	Very low	136 Å²	136	125 Å²	125	82%	0.824	75%	0.748	S	S	*	*				73.5	151.4	127.6	174.4	0	0	0	0	121.2
70	G	34.1	Very low	33.5	Very low	58 Å²	58	125 Å²	125	60%	0.598	74%	0.744	S	S	*	*			trans	117.4	81.3	-177.2	0	0	0	0	0	111.4
71	E	34.9	Very low	33.7	Very low	160 Å²	160	121 Å²	121	75%	0.748	74%	0.74	S	S	*	*				64.4	127.7	75.3	-56.7	178.8	140.6	0	0	111.7
72	H	38.7	Very low	33.7	Very low	148 Å²	148	125.2 Å²	125.2	69%	0.685	74%	0.741	S	S	*	*			cis	-148.4	154.6	29.1	-94.8	-87.7	0	0	0	113.2
73	D	34	Very low	34	Very low	126 Å²	126	126.1 Å²	126.1	67%	0.674	74%	0.744	S	S	*	*				43.2	152	129.4	-58.1	-21.5	0	0	0	123.2
74	L	35.3	Very low	34	Very low	140 Å²	140	127.3 Å²	127.3	73%	0.733	75%	0.746	S	S	*	*			cis	-163.5	144.6	-2	-119.7	165.7	0	0	0	110.4
75	S	34	Very low	33.8	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	75%	0.748	S	S	*	*			trans	65	157.7	151.3	79.6	0	0	0	0	118.5
76	T	33.9	Very low	33.5	Very low	117 Å²	117	127.1 Å²	127.1	72%	0.718	74%	0.744	S	S	*	*			cis	-162	145.6	-12.6	3.7	0	0	0	0	109.2
77	S	33.6	Very low	33.8	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	74%	0.738	S	S	*	*			trans	56.4	154	157.8	60	0	0	0	0	119.1
78	S	34.3	Very low	34	Very low	113 Å²	113	124 Å²	124	79%	0.79	74%	0.735	S	S	*	*			cis	-170.6	160.6	-12.8	-96.3	0	0	0	0	106.6
79	S	35.3	Very low	34.1	Very low	113 Å²	113	124 Å²	124	79%	0.79	73%	0.733	S	S	*	*			cis	-157.3	-173.8	-4.4	48.4	0	0	0	0	108.8
80	E	30.7	Very low	33.8	Very low	151 Å²	151	123.3 Å²	123.3	71%	0.706	73%	0.734	S	S	*	*			trans	-66.3	139.1	179.9	-65.1	177.4	86.5	0	0	114.7	K82	E80-K82 WeakPolarHBondContact OE1-CE 3.37Å; E80-K82 IonicContact OE1-NZ 3.43Å; E80-K82 PolarHBondContact OE1-NZ 3.49Å
81	I	35.4	Very low	33.7	Very low	168 Å²	168	127.2 Å²	127.2	86%	0.862	74%	0.74	S	S	*	*			trans	-132.5	120.6	144.9	-61.7	-177.3	0	0	0	108.2
82	K	32.4	Very low	33.5	Very low	149 Å²	149	124.9 Å²	124.9	65%	0.648	74%	0.741	S	S	*	*			trans	-81.9	133.2	176.9	-67.3	167.7	-176.5	161	0	110	E80 V84	E80-K82 WeakPolarHBondContact OE1-CE 3.37Å; E80-K82 IonicContact OE1-NZ 3.43Å; E80-K82 PolarHBondContact OE1-NZ 3.49Å; K82-V84 PolarHBondContact O-N 2.8Å; K82-V84 VanDerWaalsContact O-N 3.16Å
83	P	39.6	Very low	33.1	Very low	132 Å²	132	123.6 Å²	123.6	86%	0.857	74%	0.743	S	S	*	*			trans	-70	109.3	165.5	29	-31.5	0	0	0	109.1
84	V	33.4	Very low	32.9	Very low	125 Å²	125	125 Å²	125	76%	0.758	75%	0.746	S	S	*	*			trans	-67.1	143.3	176	173.8	0	0	0	0	110.2	K82 T86	K82-V84 PolarHBondContact O-N 2.8Å; K82-V84 VanDerWaalsContact O-N 3.16Å; V84-T86 PolarHBondContact O-N 3.12Å
85	S	29.3	Very low	32.9	Very low	110 Å²	110	124 Å²	124	77%	0.769	75%	0.745	S	S	*	*			trans	-71.5	94.4	175.5	-172	0	0	0	0	111	V87	S85-V87 PolarHBondContact O-N 3.24Å
86	T	32.4	Very low	32.7	Very low	115 Å²	115	124.2 Å²	124.2	71%	0.706	74%	0.739	S	S	*	*			trans	-80.1	102.9	168.7	-57.1	0	0	0	0	109.7	V84 V88	V84-T86 PolarHBondContact O-N 3.12Å; T86-V88 HydrophobicContact CG2-CG2 4.5Å; T86-V88 PolarHBondContact O-N 3.32Å
87	V	32.5	Very low	32.8	Very low	122 Å²	122	126.9 Å²	126.9	74%	0.739	74%	0.743	S	S	*	*			trans	-63.7	116.6	162.2	177.5	0	0	0	0	107.9	S85 P89	S85-V87 PolarHBondContact O-N 3.24Å; V87-P89 WeakPolarHBondContact O-CD 3.45Å
88	V	34.4	Very low	32.7	Very low	118 Å²	118	132.1 Å²	132.1	72%	0.715	75%	0.746	S	S	*	*			trans	-89	112.2	171.2	179.9	0	0	0	0	107.8	T86 S90	T86-V88 HydrophobicContact CG2-CG2 4.5Å; T86-V88 PolarHBondContact O-N 3.32Å; V88-S90 PolarHBondContact O-N 2.93Å
89	P	34.1	Very low	32.8	Very low	96 Å²	96	134.2 Å²	134.2	62%	0.623	75%	0.747	S	S	*	*			trans	-67.8	131	174.4	28.6	-33.4	0	0	0	109.7	V87 I91	V87-P89 WeakPolarHBondContact O-CD 3.45Å; P89-I91 PolarHBondContact O-N 3.42Å
90	S	28.5	Very low	33.1	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	75%	0.747	S	S	*	*			trans	-75	93.9	172.8	-57.5	0	0	0	0	109.9	V88	V88-S90 PolarHBondContact O-N 2.93Å
91	I	30.8	Very low	33.2	Very low	140 Å²	140	133.3 Å²	133.3	72%	0.718	76%	0.755	S	S	*	*			trans	-91.5	103.5	167	-60.8	-178.9	0	0	0	107.9	P89 V93	P89-I91 PolarHBondContact O-N 3.42Å; I91-V93 PolarHBondContact O-N 3.04Å
92	S	30.9	Very low	33.4	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	75%	0.751	S	S	*	*			trans	-69.1	116.1	167.6	-58.8	0	0	0	0	109	E94	S92-E94 PolarHBondContact O-N 3.36Å
93	V	30.4	Very low	33.8	Very low	121 Å²	121	127.1 Å²	127.1	73%	0.733	76%	0.756	S	S	*	*			trans	-90.3	97.7	168.6	-179.3	0	0	0	0	107.9	I91 V95	I91-V93 PolarHBondContact O-N 3.04Å; V93-V95 HydrophobicContact CG1-CG2 4.31Å; V93-V95 PolarHBondContact O-N 3.23Å
94	E	30.8	Very low	33.5	Very low	155 Å²	155	128.6 Å²	128.6	72%	0.724	76%	0.757	S	S	*	*			trans	-67.1	112.9	161.9	-69	-168.8	151.3	0	0	108.8	S92 N96	S92-E94 PolarHBondContact O-N 3.36Å; E94-N96 HydrophobicContact CB-CB 4.38Å; E94-N96 PolarHBondContact O-N 3.47Å; E94-N96 PolarHBondContact OE2-ND2 3.03Å
95	V	33.9	Very low	33.7	Very low	119 Å²	119	128 Å²	128	72%	0.721	76%	0.756	S	S	*	*			trans	-78.8	76	168.1	-178.1	0	0	0	0	108	V93 E97	V93-V95 HydrophobicContact CG1-CG2 4.31Å; V93-V95 PolarHBondContact O-N 3.23Å; V95-E97 VanDerWaalsContact C-N 3.32Å; V95-E97 HydrophobicContact CG1-CG 4.03Å; V95-E97 PolarHBondContact O-N 3.08Å; V95-E97 VanDerWaalsContact O-N 3.17Å
96	N	31	Very low	33.9	Very low	104 Å²	104	126 Å²	126	56%	0.556	75%	0.753	S	S	*	*			trans	-88.9	68	-175.8	-148.9	-35.1	0	0	0	109.4	E94 R98	E94-N96 HydrophobicContact CB-CB 4.38Å; E94-N96 PolarHBondContact O-N 3.47Å; E94-N96 PolarHBondContact OE2-ND2 3.03Å; N96-R98 VanDerWaalsContact C-N 3.27Å; N96-R98 PolarHBondContact O-N 2.92Å
97	E	34.8	Very low	34.1	Very low	174 Å²	174	131 Å²	131	81%	0.813	77%	0.765	S	S	*	*			trans	-69	78.8	-178.9	-79.9	-166.1	161.6	0	0	112.2	V95 I99	V95-E97 VanDerWaalsContact C-N 3.32Å; V95-E97 HydrophobicContact CG1-CG 4.03Å; V95-E97 PolarHBondContact O-N 3.08Å; V95-E97 VanDerWaalsContact O-N 3.17Å; E97-I99 PolarHBondContact O-N 3.46Å
98	R	31.6	Very low	34.1	Very low	217 Å²	217	134.5 Å²	134.5	82%	0.819	77%	0.77	S	S	*	*			trans	-75.4	111.6	163.3	-71	-171	177.9	-162.1	-1.4	109.8	N96	N96-R98 VanDerWaalsContact C-N 3.27Å; N96-R98 PolarHBondContact O-N 2.92Å
99	I	37.8	Very low	34.2	Very low	157 Å²	157	136.7 Å²	136.7	81%	0.805	78%	0.777	S	S	*	*			trans	-53.7	128.2	169.3	-57.4	174.2	0	0	0	109.1	E97 S101	E97-I99 PolarHBondContact O-N 3.46Å; I99-S101 PolarHBondContact O-N 2.82Å; I99-S101 VanDerWaalsContact O-N 3.07Å
100	P	40.9	Very low	34.3	Very low	121 Å²	121	141 Å²	141	79%	0.786	79%	0.788	S	S	*	*			trans	-73.4	101.6	178.5	28.8	-33.6	0	0	0	110.9
101	S	31.6	Very low	34.5	Very low	125 Å²	125	142.2 Å²	142.2	87%	0.874	79%	0.785	S	S	*	*			trans	-72.2	124	167.5	-177.5	0	0	0	0	110.2	I99	I99-S101 PolarHBondContact O-N 2.82Å; I99-S101 VanDerWaalsContact O-N 3.07Å
102	A	39.9	Very low	35	Very low	95 Å²	95	139.9 Å²	139.9	79%	0.785	78%	0.779	S	S	*	*			trans	-121.2	98.4	-178.4	0	0	0	0	0	111.7
103	A	40.6	Very low	35.2	Very low	92 Å²	92	141.6 Å²	141.6	76%	0.76	78%	0.78	S	S	*	*			trans	25	101.7	155.9	0	0	0	0	0	120.3
104	D	34.9	Very low	35.4	Very low	162 Å²	162	140.5 Å²	140.5	87%	0.866	78%	0.777	S	S	*	*				60	140.9	118.1	-140.7	46.4	0	0	0	121.7
105	P	37.7	Very low	35.7	Very low	113 Å²	113	141.7 Å²	141.7	73%	0.734	78%	0.782	S	S	*	*			trans	-109.7	154	-160.6	40.5	-33.9	0	0	0	117.5
106	G	32.2	Very low	35.6	Very low	69 Å²	69	143.7 Å²	143.7	71%	0.711	79%	0.788	S	S	*	*				105.7	127.2	128.3	0	0	0	0	0	119.8
107	K	37.8	Very low	35.8	Very low	219 Å²	219	146.9 Å²	146.9	95%	0.952	80%	0.803	S	S	*	*			trans	-163.3	155.6	140.9	-105	146.3	-170.7	169.5	0	111.2
108	K	32.8	Very low	35.7	Very low	196 Å²	196	145.3 Å²	145.3	85%	0.852	80%	0.801	S	S	*	*			trans	-100.4	150.3	-176.8	-56.1	172.2	-179.6	176.1	0	111
109	L	34.8	Very low	35.4	Very low	164 Å²	164	145.5 Å²	145.5	86%	0.859	80%	0.801	S	S	*	*			trans	174.1	105.2	148	-92.1	149.6	0	0	0	106.8
110	H	36	Very low	35.1	Very low	185 Å²	185	146.4 Å²	146.4	86%	0.856	81%	0.807	S	S	*	*				89.1	136	87.1	-99.4	65.4	0	0	0	115.8
111	N	33.2	Very low	34.4	Very low	147 Å²	147	147.2 Å²	147.2	79%	0.786	80%	0.8	S	S	*	*			trans	-88.8	-175.1	-177.5	-136.9	13.3	0	0	0	110
112	P	41.2	Very low	34.3	Very low	92 Å²	92	148.9 Å²	148.9	60%	0.597	81%	0.805	S	S	*	*			cis	-144.1	-175.7	15.3	43.8	-23.2	0	0	0	118.7
113	N	35.6	Very low	33.7	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	80%	0.8	S	S	*	*			trans	73	140.4	163.8	-56.2	-24.5	0	0	0	116.5
114	C	34.7	Very low	33.1	Very low	99 Å²	99	149.6 Å²	149.6	67%	0.669	79%	0.794	S	S	*	*			cis	-156.8	150.9	26	-138.2	0	0	0	0	115.4
115	H	37.9	Very low	33	Very low	180 Å²	180	148.4 Å²	148.4	83%	0.833	80%	0.795	S	S	*	*			trans	70.9	129.9	153.3	-72.1	9	0	0	0	122.5
116	N	29.9	Very low	32.6	Very low	161 Å²	161	147.6 Å²	147.6	86%	0.861	79%	0.792	S	S	*	*			trans	-82.1	142.9	175.1	-56.4	-64.7	0	0	0	112.8
117	I	36.1	Very low	32.6	Very low	170 Å²	170	152.2 Å²	152.2	87%	0.872	80%	0.799	S	S	*	*			trans	-134.1	146.9	140.7	-64.6	-171.9	0	0	0	108.8
118	N	33.4	Very low	32.1	Very low	141 Å²	141	148.8 Å²	148.8	75%	0.754	79%	0.792	S	S	*	*			trans	-74.8	143.7	-162.3	-62.6	-64.5	0	0	0	116.3
119	R	25.4	Very low	31.9	Very low	221 Å²	221	144.9 Å²	144.9	83%	0.834	78%	0.784	S	S	*	*				43.3	101.5	126.1	-166.9	-176.5	-171.3	164.5	2.2	117.4
120	L	30	Very low	31.7	Very low	176 Å²	176	145.4 Å²	145.4	92%	0.921	78%	0.782	S	S	*	*			trans	-119.9	136.7	159	-85.1	166.4	0	0	0	110.5
121	E	27.1	Very low	31.3	Very low	139 Å²	139	143.8 Å²	143.8	65%	0.65	78%	0.78	S	S	*	*			trans	-88.7	147	179.1	-62.4	172.9	137.5	0	0	110.4	T123	E121-T123 HydrophobicContact CB-CG2 4.08Å; E121-T123 PolarHBondContact O-N 3.16Å
122	V	28.9	Very low	31.2	Very low	160 Å²	160	142.4 Å²	142.4	97%	0.97	78%	0.782	S	S	*	*			trans	-75.8	82.6	170.4	-176.8	0	0	0	0	108.6
123	T	27.3	Very low	30.6	Very low	110 Å²	110	147.6 Å²	147.6	68%	0.675	80%	0.798	S	S	*	*			trans	-98.6	155.4	175.9	44.5	0	0	0	0	112	E121	E121-T123 HydrophobicContact CB-CG2 4.08Å; E121-T123 PolarHBondContact O-N 3.16Å
124	S	27.3	Very low	30.4	Very low	91 Å²	91	147.8 Å²	147.8	64%	0.636	80%	0.797	S	S	*	*			trans	-75.8	139.7	-167.2	53.6	0	0	0	0	114.7	S126	S124-S126 PolarHBondContact O-N 2.89Å; S124-S126 VanDerWaalsContact O-N 3.16Å
125	P	34.7	Very low	30	Very low	137 Å²	137	150.6 Å²	150.6	89%	0.89	80%	0.8	S	S	*	*			trans	-77.7	93.8	163.4	31.9	-32	0	0	0	110.9
126	S	28.6	Very low	29.6	Very low	96 Å²	96	148.2 Å²	148.2	67%	0.671	80%	0.798	S	S	*	*			trans	-106.6	101.3	176.5	-66.7	0	0	0	0	111.8	S124	S124-S126 PolarHBondContact O-N 2.89Å; S124-S126 VanDerWaalsContact O-N 3.16Å
127	L	31.4	Very low	29.6	Very low	166 Å²	166	147 Å²	147	87%	0.869	79%	0.788	S	S	*	*			trans	-150.6	100.6	169.5	-88.6	165.4	0	0	0	106.8
128	N	28	Very low	29.1	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	79%	0.788	S	S	*	*				84.1	156.6	51.1	-161.8	14.5	0	0	0	112.8
129	V	28.4	Very low	28.8	Very low	113 Å²	113	146.5 Å²	146.5	69%	0.685	79%	0.787	S	S	*	*			trans	80.1	123.7	-171.6	-174.4	0	0	0	0	112.6
130	Q	30.8	Very low	28.9	Very low	176 Å²	176	144 Å²	144	82%	0.822	79%	0.785	S	S	*	*			cis	-147.8	159.6	3.1	-134.1	159.7	17.1	0	0	113.9
131	N	27.1	Very low	28.9	Very low	150 Å²	150	142.9 Å²	142.9	80%	0.802	78%	0.78	S	S	*	*			trans	-39.1	138.2	-175	-60.6	-23.7	0	0	0	119.1
132	S	31.9	Very low	29	Very low	119 Å²	119	145.5 Å²	145.5	83%	0.832	79%	0.785	S	S	*	*			trans	-152	114.9	142.1	-78.7	0	0	0	0	109.6
133	Q	27.2	Very low	29	Very low	201 Å²	201	145.2 Å²	145.2	94%	0.939	78%	0.783	S	S	*	*			trans	-80.1	119.7	178.8	-70.1	175.3	-62.9	0	0	110.5
134	I	32.3	Very low	29.1	Very low	150 Å²	150	145 Å²	145	77%	0.769	78%	0.782	S	S	*	*			trans	-124.7	119.4	158.5	-61.8	-176.7	0	0	0	108	V136	I134-V136 HydrophobicContact CG2-CG2 4.31Å; I134-V136 PolarHBondContact O-N 3.19Å
135	H	26.6	Very low	29.1	Very low	157 Å²	157	145.8 Å²	145.8	73%	0.727	79%	0.787	S	S	*	*			trans	-82.7	107.3	-178.9	-147.8	68.3	0	0	0	108.7
136	V	30.1	Very low	29.1	Very low	131 Å²	131	145.2 Å²	145.2	79%	0.794	78%	0.784	S	S	*	*			trans	-108.7	84.2	167	-175.4	0	0	0	0	107.4	I134 T138	I134-V136 HydrophobicContact CG2-CG2 4.31Å; I134-V136 PolarHBondContact O-N 3.19Å; V136-T138 PolarHBondContact O-N 2.93Å
137	Q	28.5	Very low	29.1	Very low	136 Å²	136	146.1 Å²	146.1	64%	0.636	79%	0.785	S	S	*	*			trans	-74.6	121.9	-178.1	-164.4	167.5	8.4	0	0	109	Q139	Q137-Q139 PolarHBondContact O-N 3.4Å; Q137-Q139 VanDerWaalsContact O-N 3.15Å
138	T	27	Very low	29.2	Very low	142 Å²	142	144.4 Å²	144.4	87%	0.871	78%	0.782	S	S	*	*			trans	-65.8	112.1	171.9	47.8	0	0	0	0	108.9	V136	V136-T138 PolarHBondContact O-N 2.93Å
139	Q	27.3	Very low	29.5	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	78%	0.78	S	S	*	*			trans	-120.8	132.4	177.3	-145	167.5	7.6	0	0	110	Q137 D141	Q137-Q139 PolarHBondContact O-N 3.4Å; Q137-Q139 VanDerWaalsContact O-N 3.15Å; Q139-D141 PolarHBondContact O-N 3.22Å
140	E	26.8	Very low	29.5	Very low	170 Å²	170	147.6 Å²	147.6	79%	0.794	79%	0.791	S	S	*	*			trans	-81.6	99.2	178.9	-61.3	173.1	120.4	0	0	108.6	Y142	E140-Y142 PolarHBondContact O-N 3.47Å
141	D	30.6	Very low	29.6	Very low	152 Å²	152	148.8 Å²	148.8	81%	0.813	79%	0.794	S	S	*	*			trans	-72.6	70.9	176	-86.1	-26.4	0	0	0	111.7	Q139 V143	Q139-D141 PolarHBondContact O-N 3.22Å; D141-V143 PolarHBondContact O-N 3.15Å
142	Y	29.4	Very low	29.9	Very low	193 Å²	193	152.6 Å²	152.6	76%	0.757	80%	0.797	S	S	*	*			trans	-62.4	107.8	164.4	-115.4	-90.7	0	0	0	109	E140 T144	E140-Y142 PolarHBondContact O-N 3.47Å; Y142-T144 VanDerWaalsContact C-N 3.32Å; Y142-T144 PolarHBondContact O-N 2.98Å; Y142-T144 PolarHBondContact O-OG1 2.63Å; Y142-T144 VanDerWaalsContact O-OG1 3.05Å
143	V	27.8	Very low	29.9	Very low	154 Å²	154	157 Å²	157	93%	0.933	80%	0.795	S	S	*	*			trans	-62.9	90.4	177.7	-178.4	0	0	0	0	110.4	D141	D141-V143 PolarHBondContact O-N 3.15Å
144	T	29.5	Very low	30.3	Very low	106 Å²	106	154.2 Å²	154.2	65%	0.65	79%	0.785	S	S	*	*			trans	-135.1	120.2	-175.6	-37.8	0	0	0	0	109.3	Y142 P146	Y142-T144 VanDerWaalsContact C-N 3.32Å; Y142-T144 PolarHBondContact O-N 2.98Å; Y142-T144 PolarHBondContact O-OG1 2.63Å; Y142-T144 VanDerWaalsContact O-OG1 3.05Å; T144-P146 WeakPolarHBondContact O-CD 3.34Å
145	S	26.7	Very low	30.8	Very low	108 Å²	108	152.4 Å²	152.4	76%	0.755	78%	0.783	S	S	*	*			trans	-79.5	130.8	-172.6	54.1	0	0	0	0	113.6
146	P	34.7	Very low	31.2	Very low	125 Å²	125	150.4 Å²	150.4	81%	0.812	79%	0.787	S	S	*	*			trans	-99.7	115.9	164.1	33.7	-26.4	0	0	0	111.5	T144	T144-P146 WeakPolarHBondContact O-CD 3.34Å
147	T	28.3	Very low	31.5	Very low	114 Å²	114	148.9 Å²	148.9	70%	0.699	78%	0.782	S	S	*	*			trans	-98.5	173.8	166.7	44.1	0	0	0	0	111.3
148	T	34.8	Very low	31.9	Very low	130 Å²	130	147.7 Å²	147.7	80%	0.798	79%	0.789	S	S	*	*			trans	77.5	164	171.1	83.2	0	0	0	0	116.7
149	P	34.2	Very low	32.4	Very low	116 Å²	116	145.4 Å²	145.4	75%	0.753	79%	0.785	S	S	*	*			cis	-129.3	160.1	-27.6	21.6	-0.8	0	0	0	114
150	K	27.7	Very low	32.9	Very low	212 Å²	212	140.6 Å²	140.6	92%	0.922	78%	0.777	S	S	*	*			trans	-142.3	126.5	155.7	-78	-167.9	177.5	-178.9	0	111.3
151	K	33.1	Very low	33.3	Very low	202 Å²	202	141.2 Å²	141.2	88%	0.878	78%	0.78	S	S	*	*			trans	-163.9	146.8	166.9	-130	168.4	-172.1	168.9	0	112.4
152	R	33.9	Very low	33.7	Very low	229 Å²	229	138.1 Å²	138.1	86%	0.864	77%	0.77	S	S	*	*			trans	70.2	144.5	170.6	-67.2	-176.6	173.2	-168.3	-0.8	117.1
153	R	32.3	Very low	34.1	Very low	211 Å²	211	135.1 Å²	135.1	80%	0.796	77%	0.767	S	S	*	*			cis	-170	169.7	-27.6	-142	-175.3	175.9	-174.3	-1.2	110.1
154	I	35.5	Very low	34.4	Very low	144 Å²	144	134.1 Å²	134.1	74%	0.738	76%	0.756	S	S	*	*			trans	84.6	144.1	153.5	-77.8	161.4	0	0	0	116.8
155	P	41.3	Very low	34.8	Very low	112 Å²	112	134.7 Å²	134.7	73%	0.727	76%	0.76	S	S	*	*			trans	-140	-146.4	-136.5	46	-26.1	0	0	0	115.1
156	S	36	Very low	35.3	Very low	115 Å²	115	134 Å²	134	80%	0.804	76%	0.756	S	S	*	*			trans	101.5	139.7	176	71.3	0	0	0	0	115
157	S	36	Very low	35.4	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	75%	0.751	S	S	*	*			cis	-164.5	159.6	-9.8	45.3	0	0	0	0	113.3
158	S	37.1	Very low	35.8	Very low	110 Å²	110	135.9 Å²	135.9	77%	0.769	76%	0.755	S	S	*	*			trans	60.7	143.4	149.3	51.1	0	0	0	0	121.2
159	A	37.1	Very low	35.9	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	75%	0.749	S	S	*	*			cis	-163.3	160.4	-11.4	0	0	0	0	0	112.7
160	G	37.7	Very low	36	Very low	56 Å²	56	134.6 Å²	134.6	58%	0.577	75%	0.751	S	S	*	*			trans	88	173.4	163.5	0	0	0	0	0	119.2
161	E	35.8	Very low	36.3	Very low	183 Å²	183	131.2 Å²	131.2	86%	0.855	74%	0.743	S	S	*	*			cis	173.3	151	-28	-104.5	124.1	-136.3	0	0	107.9
162	S	38	Very low	36.3	Very low	87 Å²	87	127.3 Å²	127.3	61%	0.608	74%	0.736	S	S	*	*			cis	-158.9	167.8	-17.4	63.7	0	0	0	0	110.7
163	D	38.1	Very low	36.1	Very low	130 Å²	130	121.4 Å²	121.4	70%	0.695	73%	0.729	S	S	*	*			trans	61.8	159.2	159.6	-49.6	-53	0	0	0	120.4
164	N	35.7	Very low	35.8	Very low	132 Å²	132	119 Å²	119	71%	0.706	73%	0.732	S	S	*	*			cis	-170.4	155.5	-39.2	-85.7	-30.3	0	0	0	106.6
165	T	36.7	Very low	35.5	Very low	118 Å²	118	117.8 Å²	117.8	72%	0.724	73%	0.731	S	S	*	*			cis	-157.7	-163.4	-16	37.2	0	0	0	0	105.1
166	S	36.8	Very low	35	Very low	95 Å²	95	122.2 Å²	122.2	66%	0.664	74%	0.738	S	S	*	*			cis	-162	154.5	9.8	-19.6	0	0	0	0	111.7
167	N	36.8	Very low	34.8	Very low	132 Å²	132	120.9 Å²	120.9	71%	0.706	73%	0.729	S	S	*	*			trans	53.4	113.2	140.7	-71.1	59	0	0	0	125.6
168	D	37.6	Very low	34.5	Very low	146 Å²	146	122.9 Å²	122.9	78%	0.781	73%	0.732	S	S	*	*				100.1	131	118.4	-61.6	-17.8	0	0	0	124.2
169	G	36.7	Very low	34.2	Very low	67 Å²	67	125.5 Å²	125.5	69%	0.691	73%	0.732	S	S	*	*			trans	109.6	72	161.7	0	0	0	0	0	116.9
170	L	35.4	Very low	33.8	Very low	151 Å²	151	131.2 Å²	131.2	79%	0.791	73%	0.734	S	S	*	*				57.9	127.7	74.4	-64.7	176.4	0	0	0	114
171	L	34.2	Very low	33.3	Very low	142 Å²	142	137.6 Å²	137.6	74%	0.743	75%	0.746	S	S	*	*			cis	-151.4	-177	3	-82.4	140.7	0	0	0	107.1
172	T	33.7	Very low	33.1	Very low	119 Å²	119	135.5 Å²	135.5	73%	0.73	74%	0.739	S	S	*	*			cis	-165.7	167.2	-0.3	8.8	0	0	0	0	106.4
173	S	29.7	Very low	32.7	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	75%	0.749	S	S	*	*			cis	-164.2	153.7	-40.6	56.2	0	0	0	0	108.7
174	L	26.4	Very low	32.6	Very low	162 Å²	162	137.5 Å²	137.5	85%	0.848	75%	0.749	S	S	*	*			trans	-108.6	143.7	178.6	-124	78.1	0	0	0	111.5
175	V	28.5	Very low	32.5	Very low	118 Å²	118	137 Å²	137	72%	0.715	76%	0.756	S	S	*	*			trans	36.2	108.1	140.8	176.7	0	0	0	0	118.4
176	K	31.9	Very low	32.4	Very low	204 Å²	204	135.6 Å²	135.6	89%	0.887	76%	0.756	S	S	*	*				-176.2	176.8	129	-105.4	147.9	-168.6	170.5	0	116.3
177	S	30.6	Very low	32.7	Very low	88 Å²	88	137.1 Å²	137.1	62%	0.615	76%	0.764	S	S	*	*			trans	-104.4	174.5	-157.9	54.5	0	0	0	0	115.9
178	D	30.8	Very low	32.6	Very low	141 Å²	141	134 Å²	134	75%	0.754	76%	0.763	S	S	*	*			trans	86.9	122.7	149.8	-52	-40	0	0	0	122.6
179	E	29.8	Very low	32.5	Very low	164 Å²	164	134.5 Å²	134.5	77%	0.766	76%	0.764	S	S	*	*			trans	24.5	130.9	150.8	-43.1	-171.3	136.1	0	0	121.7
180	R	29.8	Very low	32.7	Very low	216 Å²	216	136.9 Å²	136.9	82%	0.815	77%	0.767	S	S	*	*				-171.8	161.2	74.3	-94.1	170.7	-81.4	-179.6	-4.4	114.3
181	F	26.7	Very low	32.6	Very low	190 Å²	190	134.2 Å²	134.2	83%	0.833	77%	0.767	S	S	*	*			trans	15.6	143.9	143.8	-70.7	-108.9	0	0	0	119.5
182	I	32.1	Very low	32.8	Very low	139 Å²	139	135 Å²	135	71%	0.713	77%	0.772	S	S	*	*				-159.6	150	66.7	-84.5	-179.9	0	0	0	112
183	E	28.1	Very low	33.1	Very low	173 Å²	173	134.3 Å²	134.3	81%	0.808	77%	0.769	S	S	*	*			trans	13.4	153.4	150	-52.8	173.2	129.2	0	0	121.1
184	A	36.1	Very low	33	Very low	85 Å²	85	137.5 Å²	137.5	70%	0.702	78%	0.776	S	S	*	*			cis	-165.7	152.7	40.8	0	0	0	0	0	117.1
185	S	33.2	Very low	33.3	Very low	121 Å²	121	133.2 Å²	133.2	85%	0.846	77%	0.772	S	S	*	*			trans	64.5	143.4	133.6	-67.3	0	0	0	0	123.1
186	A	35.2	Very low	33.4	Very low	89 Å²	89	133.6 Å²	133.6	74%	0.736	78%	0.779	S	S	*	*			cis	-161.1	-156.8	-13.9	0	0	0	0	0	110.6
187	P	43.3	Very low	34	Very low	128 Å²	128	129 Å²	129	83%	0.831	77%	0.77	S	S	*	*				-135.7	178.3	-122.2	39.2	-16.3	0	0	0	118.7
188	G	33.9	Very low	34	Very low	66 Å²	66	134.4 Å²	134.4	68%	0.68	79%	0.786	S	S	*	*			trans	141.8	124.6	157.9	0	0	0	0	0	114.1
189	I	35.3	Very low	33.8	Very low	156 Å²	156	130.7 Å²	130.7	80%	0.8	78%	0.781	S	S	*	*			cis	86.4	129.3	28.9	-60.4	175.3	0	0	0	113.1
190	P	41.5	Very low	33.8	Very low	118 Å²	118	130.4 Å²	130.4	77%	0.766	78%	0.783	S	S	*	*			cis	-140.5	-166.1	-23.1	40	-19.9	0	0	0	114
191	A	34.3	Very low	33.7	Very low	94 Å²	94	127.1 Å²	127.1	78%	0.777	78%	0.777	S	S	*	*				144.6	111	123.7	0	0	0	0	0	116.1
192	N	37.9	Very low	33.6	Very low	159 Å²	159	127.6 Å²	127.6	85%	0.85	78%	0.775	S	S	*	*			trans	-86.4	169.9	152.8	-112.9	-15.1	0	0	0	107.9
193	P	39.4	Very low	33.4	Very low	104 Å²	104	126.5 Å²	126.5	68%	0.675	78%	0.775	S	S	*	*				-165.8	179.4	62.7	46.1	-23.6	0	0	0	120.8
194	I	28.7	Very low	33.4	Very low	172 Å²	172	122.7 Å²	122.7	88%	0.882	77%	0.767	S	S	*	*			trans	60.5	129.7	143.2	-71.4	157.3	0	0	0	120.9
195	G	31.6	Very low	33.2	Very low	73 Å²	73	129.8 Å²	129.8	75%	0.753	78%	0.776	S	S	*	*			trans	169.6	114	160.5	0	0	0	0	0	111.6
196	S	30.1	Very low	33	Very low	125 Å²	125	128.2 Å²	128.2	87%	0.874	77%	0.765	S	S	*	*			trans	-142.1	-175.7	-171.8	80.8	0	0	0	0	112
197	P	46.1	Very low	32.8	Very low	107 Å²	107	131.4 Å²	131.4	70%	0.695	77%	0.769	S	S	*	*				-108.4	169.1	-120.2	42	-34.1	0	0	0	115.6
198	Q	29.3	Very low	32.1	Very low	203 Å²	203	129.6 Å²	129.6	95%	0.949	76%	0.76	S	S	*	*			trans	-168	149.3	154.4	-117.4	154.7	91.8	0	0	115.1
199	G	28.1	Very low	32	Very low	62 Å²	62	132.8 Å²	132.8	64%	0.639	76%	0.76	S	S	*	*				107.9	104.9	128.4	0	0	0	0	0	119.7
200	L	28.3	Very low	31.8	Very low	158 Å²	158	133.7 Å²	133.7	83%	0.827	76%	0.76	S	S	*	*			trans	62.2	134.2	141.3	-52.9	175.6	0	0	0	118.5
201	Q	27.7	Very low	31.2	Very low	147 Å²	147	134.2 Å²	134.2	69%	0.687	76%	0.761	S	S	*	*			cis	126.8	157.4	11.7	-96.6	-165.5	-14	0	0	108.8
202	Y	25.9	Very low	31.5	Very low	200 Å²	200	135.1 Å²	135.1	78%	0.784	76%	0.759	S	S	*	*			trans	73.9	135	173.6	-73	-95.4	0	0	0	118.5
203	V	28.4	Very low	31.2	Very low	116 Å²	116	133 Å²	133	70%	0.703	75%	0.753	S	S	*	*			cis	-160.7	163.1	-26.8	101.7	0	0	0	0	113.1
204	S	27.8	Very low	30.8	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	76%	0.756	S	S	*	*			trans	-50.2	149.8	175	-32.2	0	0	0	0	117.4
205	R	30.9	Very low	30.9	Very low	235 Å²	235	132 Å²	132	89%	0.887	75%	0.752	S	S	*	*				173.8	118	120.8	-90.6	157.9	-176.5	-157.6	0.8	108.4
206	S	29.6	Very low	31	Very low	88 Å²	88	133.4 Å²	133.4	62%	0.615	76%	0.757	S	S	*	*			cis	86.6	143	48.8	74.5	0	0	0	0	114.1
207	N	30.3	Very low	31.1	Very low	155 Å²	155	131 Å²	131	83%	0.829	75%	0.751	S	S	*	*			trans	80.2	147.2	171.3	-58.9	-0.1	0	0	0	115.5
208	S	29.6	Very low	30.5	Very low	90 Å²	90	134.2 Å²	134.2	63%	0.629	76%	0.763	S	S	*	*			cis	-167.4	143.5	-12	164.4	0	0	0	0	112.1
209	I	30.5	Very low	30.6	Very low	133 Å²	133	129.6 Å²	129.6	68%	0.682	75%	0.753	S	S	*	*			trans	28.5	122.2	143.5	-49.6	165.6	0	0	0	118.7
210	H	32.6	Very low	31.1	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.815	76%	0.758	S	S	*	*				-171.2	168.2	113.5	-101.7	-66.8	0	0	0	113.1
211	T	29.1	Very low	31.3	Very low	128 Å²	128	130 Å²	130	79%	0.785	75%	0.751	S	S	*	*			trans	-116.8	-156.4	-171.1	58.3	0	0	0	0	110.9
212	P	39.9	Very low	31.6	Very low	113 Å²	113	131.4 Å²	131.4	73%	0.734	76%	0.755	S	S	*	*				-117.9	-168.8	-126.6	31.6	-8.9	0	0	0	115
213	T	31.7	Very low	31.9	Very low	116 Å²	116	129.9 Å²	129.9	71%	0.712	76%	0.755	S	S	*	*			trans	131.7	129.9	135.7	-45.6	0	0	0	0	116.5
214	T	30.6	Very low	32.3	Very low	122 Å²	122	129.9 Å²	129.9	75%	0.748	76%	0.758	S	S	*	*			trans	65.8	122	154.5	47.1	0	0	0	0	125.7
215	V	31.9	Very low	32.5	Very low	131 Å²	131	136.6 Å²	136.6	79%	0.794	77%	0.77	S	S	*	*				92.7	109	122.5	172.6	0	0	0	0	123
216	A	32.6	Very low	32.7	Very low	104 Å²	104	131.3 Å²	131.3	86%	0.86	76%	0.764	S	S	*	*			trans	56.8	142.7	138.9	0	0	0	0	0	123.9
217	G	32.3	Very low	32.6	Very low	73 Å²	73	134.5 Å²	134.5	75%	0.753	77%	0.768	S	S	*	*			trans	171.7	37	170.9	0	0	0	0	0	123.6
218	N	33.1	Very low	32.8	Very low	176 Å²	176	134.2 Å²	134.2	94%	0.941	77%	0.771	S	S	*	*			trans	68.1	165.5	158.9	-67.9	-17	0	0	0	122.8
219	S	32.6	Very low	32.8	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	78%	0.775	S	S	*	*			trans	-91.2	175.3	-171.7	-143.2	0	0	0	0	113.3
220	P	38	Very low	33	Very low	115 Å²	115	138.3 Å²	138.3	75%	0.747	78%	0.777	S	S	*	*				-161.5	142.4	67.7	41.7	-18	0	0	0	122
221	V	31.9	Very low	33.2	Very low	112 Å²	112	137.7 Å²	137.7	68%	0.679	77%	0.772	S	S	*	*				66.2	139.5	123.3	179.5	0	0	0	0	124.9
222	K	34.2	Very low	33.3	Very low	178 Å²	178	139.7 Å²	139.7	77%	0.774	78%	0.778	S	S	*	*			trans	78.4	154.6	160.3	-84.3	164.6	-167.6	175.9	0	118.8
223	Q	32.6	Very low	32.9	Very low	168 Å²	168	140.8 Å²	140.8	79%	0.785	78%	0.782	S	S	*	*			cis	-153.8	162	3.9	-143.6	153.8	-10.6	0	0	112.5
224	P	36.5	Very low	33	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	79%	0.785	S	S	*	*			trans	-115.1	-176.9	-176.8	42	-32.8	0	0	0	116.3
225	Y	33	Very low	32.8	Very low	234 Å²	234	146 Å²	146	92%	0.918	79%	0.792	S	S	*	*			trans	-130.6	165.2	179.9	-99.1	-87.4	0	0	0	115.5
226	T	33.9	Very low	32.8	Very low	124 Å²	124	144 Å²	144	76%	0.761	78%	0.781	S	S	*	*			trans	-84.4	149.9	-171.9	46.2	0	0	0	0	114.5
227	F	28.4	Very low	32.5	Very low	155 Å²	155	146 Å²	146	68%	0.68	78%	0.783	S	S	*	*			cis	88.1	114.2	43.2	-164	-79.5	0	0	0	115.7	E229	F227-E229 HydrophobicContact CE1-CB 3.77Å; F227-E229 HydrophobicContact CZ-CB 3.67Å; F227-E229 HydrophobicContact CZ-CG 4.32Å
228	V	34.4	Very low	32.3	Very low	148 Å²	148	150.7 Å²	150.7	90%	0.897	78%	0.783	S	S	*	*			trans	-148.7	148.5	157.9	-177.4	0	0	0	0	107.2
229	E	29.3	Very low	31.9	Very low	152 Å²	152	149.8 Å²	149.8	71%	0.71	77%	0.773	S	S	*	*			trans	-145	137	-169.1	176.7	-177	-122.7	0	0	111.3	F227	F227-E229 HydrophobicContact CE1-CB 3.77Å; F227-E229 HydrophobicContact CZ-CB 3.67Å; F227-E229 HydrophobicContact CZ-CG 4.32Å
230	E	33.9	Very low	31.6	Very low	157 Å²	157	151.4 Å²	151.4	73%	0.734	77%	0.772	S	S	*	*			trans	-152.8	107.8	164	-148.7	162.1	-152.8	0	0	117.2
231	K	36.5	Very low	30.9	Very low	163 Å²	163	151.2 Å²	151.2	71%	0.709	77%	0.774	S	S	*	*			trans	46.8	110.8	139	-56.5	166.5	-163.9	148.4	0	122.2
232	N	31.3	Very low	30.6	Very low	170 Å²	170	147.8 Å²	147.8	91%	0.909	75%	0.753	S	S	*	*			trans	9	124.2	142.6	-63.4	-8.6	0	0	0	121.1
233	V	33.1	Very low	30.2	Very low	136 Å²	136	145.6 Å²	145.6	82%	0.824	75%	0.745	S	S	*	*			trans	-139.2	141.9	155.4	179.8	0	0	0	0	107.4
234	P	32.4	Very low	30	Very low	117 Å²	117	139 Å²	139	76%	0.76	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-74	164.5	-170.1	28.6	-36.8	0	0	0	115.6	P236	P234-P236 WeakPolarHBondContact O-CD 3.37Å
235	Y	27.4	Very low	29.5	Very low	232 Å²	232	136.1 Å²	136.1	91%	0.91	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-48.4	129.9	-179.1	-78.6	-92.6	0	0	0	115.4
236	P	30.8	Very low	29.3	Very low	87 Å²	87	126.1 Å²	126.1	57%	0.565	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-98.2	147	146.2	35.6	-29.7	0	0	0	111.2	P234 F238	P234-P236 WeakPolarHBondContact O-CD 3.37Å; P236-F238 HydrophobicContact CG-CD2 4.13Å; P236-F238 HydrophobicContact CG-CE2 3.76Å; P236-F238 PolarHBondContact O-N 3.45Å
237	T	27	Very low	28.9	Very low	147 Å²	147	123.6 Å²	123.6	90%	0.902	66%	0.658	S	S	*	*			trans	-68.2	100.3	176	-55	0	0	0	0	111.2	Q239	T237-Q239 PolarHBondContact O-N 3.42Å
238	F	27.1	Very low	28.9	Very low	171 Å²	171	122 Å²	122	75%	0.75	65%	0.651	S	S	*	*			trans	-81.1	113.1	172.1	-88.6	-81.4	0	0	0	111.5	P236 I240	P236-F238 HydrophobicContact CG-CD2 4.13Å; P236-F238 HydrophobicContact CG-CE2 3.76Å; P236-F238 PolarHBondContact O-N 3.45Å; F238-I240 PolarHBondContact O-N 3.28Å
239	Q	24.9	Very low	28.5	Very low	157 Å²	157	121 Å²	121	73%	0.734	64%	0.639	S	S	*	*			trans	-62.5	102.1	160.9	-76.7	-176.3	-28.5	0	0	109	T237 S241	T237-Q239 PolarHBondContact O-N 3.42Å; Q239-S241 PolarHBondContact O-N 3.18Å; Q239-S241 VanDerWaalsContact O-N 3.11Å
240	I	26.3	Very low	28.3	Very low	141 Å²	141	120.3 Å²	120.3	72%	0.723	64%	0.635	S	S	*	*			trans	-72.7	106.3	170.4	-56.2	-179.5	0	0	0	107.6	F238 V242	F238-I240 PolarHBondContact O-N 3.28Å; I240-V242 HydrophobicContact CB-CG2 4.28Å; I240-V242 HydrophobicContact CG2-CG2 3.65Å; I240-V242 PolarHBondContact O-N 2.8Å
241	S	23.5	Very low	27.9	Very low	111 Å²	111	118.9 Å²	118.9	78%	0.776	64%	0.638	S	S	*	*			trans	-68	83.8	167.7	-174.2	0	0	0	0	109.5	Q239 Q243	Q239-S241 PolarHBondContact O-N 3.18Å; Q239-S241 VanDerWaalsContact O-N 3.11Å; S241-Q243 PolarHBondContact O-N 3.44Å; S241-Q243 VanDerWaalsContact O-N 3.08Å
242	V	27.2	Very low	27.6	Very low	39 Å²	39	116.2 Å²	116.2	24%	0.236	63%	0.631	C	S	.	*			trans	-75.3	95.9	176.6	179.2	0	0	0	0	108.1	I240 T914	I240-V242 HydrophobicContact CB-CG2 4.28Å; I240-V242 HydrophobicContact CG2-CG2 3.65Å; I240-V242 PolarHBondContact O-N 2.8Å; V242-T914 WeakPolarHBondContact CB-O 3.49Å
243	Q	25.4	Very low	27.5	Very low	132 Å²	132	114.2 Å²	114.2	62%	0.617	62%	0.621	S	S	*	*			trans	-56	127.2	170.7	-76.3	-163.5	-16.5	0	0	109.9	S241 S245 F248	S241-Q243 PolarHBondContact O-N 3.44Å; S241-Q243 VanDerWaalsContact O-N 3.08Å; Q243-S245 PolarHBondContact O-N 2.78Å; Q243-F248 HydrophobicContact CB-CE2 4.37Å
244	P	28.1	Very low	27.4	Very low	30 Å²	30	112.8 Å²	112.8	20%	0.195	61%	0.614	C	S	.	*			trans	-68.4	104.9	179.3	26.7	-32.9	0	0	0	109.7	A246 F248 A918	P244-A246 PolarHBondContact O-N 2.61Å; P244-F248 HydrophobicContact CG-CE2 4.16Å; P244-F248 WeakPolarHBondContact O-CD2 3.47Å; P244-A918 HydrophobicContact CB-CB 3.93Å
245	S	26.5	Very low	27.4	Very low	55 Å²	55	112.3 Å²	112.3	39%	0.385	61%	0.609	S	S	.	*	S	Bend	trans	-75.3	41.1	174.5	-66	0	0	0	0	112.8	Q243	Q243-S245 PolarHBondContact O-N 2.78Å
246	A	27	Very low	27.6	Very low	25 Å²	25	111.6 Å²	111.6	21%	0.207	61%	0.606	C	S	.	*	S	Bend	trans	-155.2	132.3	171.8	0	0	0	0	0	108.7	P244 L896	P244-A246 PolarHBondContact O-N 2.61Å; A246-L896 HydrophobicContact CB-CD2 4.03Å
247	A	27.2	Very low	27.5	Very low	71 Å²	71	115.2 Å²	115.2	59%	0.587	62%	0.615	S	S	*	*			trans	59.4	54.8	179.6	0	0	0	0	0	116.2
248	F	26.8	Very low	27.7	Very low	122 Å²	122	116.6 Å²	116.6	54%	0.535	62%	0.616	S	S	.	*			trans	-77.4	128.6	162	-108.5	-89.3	0	0	0	111.5	Q243 P244	Q243-F248 HydrophobicContact CB-CE2 4.37Å; P244-F248 HydrophobicContact CG-CE2 4.16Å; P244-F248 WeakPolarHBondContact O-CD2 3.47Å
249	I	26.5	Very low	28	Very low	127 Å²	127	112.9 Å²	112.9	65%	0.651	61%	0.611	S	S	*	*			trans	-80.8	111.2	153.1	-64.9	169.3	0	0	0	105.6	T251	I249-T251 HydrophobicContact CG2-CG2 4.35Å; I249-T251 PolarHBondContact O-N 2.82Å
250	E	26.1	Very low	28.6	Very low	136 Å²	136	111.1 Å²	111.1	64%	0.636	61%	0.613	S	S	*	*			trans	-75.9	104.2	176.5	-74	-159.7	111.4	0	0	111.1	N252	E250-N252 PolarHBondContact OE1-ND2 3.48Å
251	T	24.8	Very low	28.9	Very low	128 Å²	128	109.5 Å²	109.5	79%	0.785	62%	0.615	S	S	*	*			trans	-99.1	72.7	160.7	58.1	0	0	0	0	109.7	I249	I249-T251 HydrophobicContact CG2-CG2 4.35Å; I249-T251 PolarHBondContact O-N 2.82Å
252	N	31.2	Very low	29.3	Very low	107 Å²	107	112.1 Å²	112.1	57%	0.572	62%	0.618	S	S	*	*			trans	-110.5	98.7	-178.1	-83.8	-35.5	0	0	0	110.9	E250 P254	E250-N252 PolarHBondContact OE1-ND2 3.48Å; N252-P254 WeakPolarHBondContact O-CD 3.4Å
253	N	28.2	Very low	29.5	Very low	128 Å²	128	113.4 Å²	113.4	68%	0.684	64%	0.64	S	S	*	*			trans	-107.3	104.4	178.8	172.5	11.5	0	0	0	111.7	T255	N253-T255 WeakPolarHBondContact OD1-CB 3.44Å; N253-T255 PolarHBondContact OD1-N 2.88Å; N253-T255 VanDerWaalsContact OD1-N 3.07Å; N253-T255 PolarHBondContact OD1-OG1 2.97Å
254	P	30.5	Very low	30.5	Very low	105 Å²	105	112.9 Å²	112.9	68%	0.682	65%	0.648	S	S	*	*			trans	-102.6	55.8	173.6	39.3	-33.7	0	0	0	112.3	N252 Y256	N252-P254 WeakPolarHBondContact O-CD 3.4Å; P254-Y256 PolarHBondContact O-N 3.12Å
255	T	33.2	Very low	30.9	Very low	107 Å²	107	119.5 Å²	119.5	66%	0.656	68%	0.68	S	S	*	*			trans	-73.8	106.6	174.7	-59.5	0	0	0	0	110.9	N253 H257	N253-T255 WeakPolarHBondContact OD1-CB 3.44Å; N253-T255 PolarHBondContact OD1-N 2.88Å; N253-T255 VanDerWaalsContact OD1-N 3.07Å; N253-T255 PolarHBondContact OD1-OG1 2.97Å; T255-H257 PolarHBondContact O-N 3.48Å
256	Y	31.4	Very low	31.3	Very low	217 Å²	217	122.8 Å²	122.8	85%	0.851	70%	0.698	S	S	*	*			trans	-64.8	127.3	172.6	-78.4	-99.9	0	0	0	111.4	P254	P254-Y256 PolarHBondContact O-N 3.12Å
257	H	29.4	Very low	31.9	Very low	164 Å²	164	127.2 Å²	127.2	76%	0.759	73%	0.725	S	S	*	*			trans	-80.6	129	167.2	-98.2	-98.6	0	0	0	111	T255	T255-H257 PolarHBondContact O-N 3.48Å
258	L	31.4	Very low	32.3	Very low	175 Å²	175	129.8 Å²	129.8	92%	0.916	73%	0.734	S	S	*	*			trans	-134.2	124.4	153.5	-77.6	177.3	0	0	0	109.4
259	S	31.9	Very low	32.9	Very low	93 Å²	93	130 Å²	130	65%	0.65	75%	0.747	S	S	*	*			trans	-121.6	158.2	170.8	-55	0	0	0	0	108.5
260	P	38.7	Very low	33.3	Very low	120 Å²	120	127.8 Å²	127.8	78%	0.779	76%	0.756	S	S	*	*				-119.3	157.2	108.7	-5	26.4	0	0	0	111.3
261	S	31.1	Very low	33.6	Very low	108 Å²	108	124.7 Å²	124.7	76%	0.755	76%	0.761	S	S	*	*			cis	65.8	132.6	49.8	-129.4	0	0	0	0	111.6
262	I	33.5	Very low	34	Very low	165 Å²	165	128.3 Å²	128.3	85%	0.846	77%	0.769	S	S	*	*			cis	-141.3	139.2	13.5	-65	165.3	0	0	0	107.1
263	G	31.2	Very low	34	Very low	66 Å²	66	126.4 Å²	126.4	68%	0.68	77%	0.774	S	S	*	*				135.8	159.2	101.4	0	0	0	0	0	113.4
264	P	46.1	Very low	34.1	Very low	121 Å²	121	127.7 Å²	127.7	79%	0.786	78%	0.781	S	S	*	*			trans	-117.1	175.2	-167.4	42.4	-33.3	0	0	0	115.1
265	L	35.6	Very low	34.3	Very low	169 Å²	169	128.1 Å²	128.1	89%	0.885	79%	0.787	S	S	*	*			trans	-166.3	149.4	131.6	-105.4	166	0	0	0	113.5
266	T	35.9	Very low	34.1	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	80%	0.796	S	S	*	*			trans	-98.9	178.2	177.3	32.3	0	0	0	0	110.2
267	P	39.5	Very low	34.4	Very low	118 Å²	118	125.6 Å²	125.6	77%	0.766	79%	0.789	S	S	*	*			cis	-151.3	178.9	31	44.4	-21.7	0	0	0	121.1
268	T	35.2	Very low	34.3	Very low	125 Å²	125	122.9 Å²	122.9	77%	0.767	79%	0.788	S	S	*	*			trans	-66.1	-178.9	158	33.8	0	0	0	0	112.3
269	P	39.8	Very low	34.3	Very low	127 Å²	127	124.5 Å²	124.5	83%	0.825	78%	0.782	S	S	*	*			cis	-151.7	-175.5	27.9	45.5	-23.9	0	0	0	120.2
270	G	34.3	Very low	34.2	Very low	81 Å²	81	127 Å²	127	84%	0.835	79%	0.788	S	S	*	*			trans	107.9	139.7	155.3	0	0	0	0	0	116.4
271	G	33.3	Very low	34	Very low	71 Å²	71	124.1 Å²	124.1	73%	0.732	78%	0.78	S	S	*	*			cis	167.9	151.4	-10.7	0	0	0	0	0	113.4
272	Q	32.2	Very low	34.2	Very low	204 Å²	204	124.6 Å²	124.6	95%	0.953	78%	0.778	S	S	*	*			trans	52.5	119.8	162.4	-63.2	170.2	-5.4	0	0	118.3
273	G	31.5	Very low	34.4	Very low	66 Å²	66	124.1 Å²	124.1	68%	0.68	77%	0.77	S	S	*	*				108.9	153.8	85.7	0	0	0	0	0	109
274	D	31.1	Very low	34.7	Very low	155 Å²	155	129.9 Å²	129.9	83%	0.829	78%	0.777	S	S	*	*			cis	-158	173	-6.3	-95.3	-50.7	0	0	0	110.1
275	S	33.1	Very low	34.2	Very low	115 Å²	115	133.7 Å²	133.7	80%	0.804	78%	0.776	S	S	*	*			trans	67.1	113.6	154.6	60.3	0	0	0	0	122.6
276	L	29.2	Very low	34.1	Very low	162 Å²	162	135.7 Å²	135.7	85%	0.848	77%	0.771	S	S	*	*			trans	-36.3	174.7	138.9	-69.4	157.9	0	0	0	115.8
277	P	38.8	Very low	34	Very low	109 Å²	109	137.7 Å²	137.7	71%	0.708	77%	0.769	S	S	*	*			cis	-147	-176.8	-36.5	40.5	-22.5	0	0	0	115.7
278	S	27.7	Very low	33.6	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	77%	0.768	S	S	*	*			trans	88.7	154.5	135.6	-154.8	0	0	0	0	122.8
279	R	31	Very low	33.5	Very low	209 Å²	209	138.8 Å²	138.8	79%	0.789	77%	0.768	S	S	*	*			trans	75.1	119.2	154.9	-92.1	-177.2	169	178.9	-1.7	122.4
280	N	30	Very low	33	Very low	146 Å²	146	137.3 Å²	137.3	78%	0.781	76%	0.761	S	S	*	*			trans	65.9	130.4	137.1	-58.1	-16.1	0	0	0	119.3
281	G	33.3	Very low	32.9	Very low	59 Å²	59	137.9 Å²	137.9	61%	0.608	75%	0.752	S	S	*	*			cis	141.5	-161.4	-2.8	0	0	0	0	0	112.7
282	T	36.1	Very low	33	Very low	118 Å²	118	142 Å²	142	72%	0.724	76%	0.757	S	S	*	*			trans	75.8	152	172.3	81.7	0	0	0	0	116
283	K	37.7	Very low	32.9	Very low	156 Å²	156	141.1 Å²	141.1	68%	0.678	75%	0.753	S	S	*	*			cis	-160	136.1	5.9	-124.1	145.8	-150.6	153.8	0	111.2
284	K	37.5	Very low	32.9	Very low	187 Å²	187	141.6 Å²	141.6	81%	0.813	76%	0.758	S	S	*	*			trans	67.7	162.3	152.2	-57.2	166	177.1	176.1	0	115.4
285	R	34.7	Very low	33.1	Very low	201 Å²	201	141.6 Å²	141.6	76%	0.758	75%	0.753	S	S	*	*			cis	-155.6	134.5	11	-154.4	175.5	178.3	179.7	-3.5	111.4
286	R	34.2	Very low	33.2	Very low	210 Å²	210	142.6 Å²	142.6	79%	0.792	75%	0.747	S	S	*	*			trans	40.1	144.8	143.9	-64.2	-179.4	-180	173.7	-1.9	120
287	K	33.7	Very low	33.5	Very low	166 Å²	166	140.5 Å²	140.5	72%	0.722	74%	0.743	S	S	*	*			cis	-165.3	158.7	13.1	-132.9	-166.6	173.2	-166.2	0	110.3
288	L	30.3	Very low	33.2	Very low	140 Å²	140	143.4 Å²	143.4	73%	0.733	75%	0.745	S	S	*	*			trans	23.1	135.5	138.8	-94.1	72.1	0	0	0	119.3
289	V	33	Very low	33.5	Very low	126 Å²	126	144.5 Å²	144.5	76%	0.764	75%	0.749	S	S	*	*			cis	-144.8	169.8	20	-175.2	0	0	0	0	111.1
290	S	30.1	Very low	33.6	Very low	97 Å²	97	143.6 Å²	143.6	68%	0.678	75%	0.751	S	S	*	*			trans	-66.9	177.5	171.9	64.6	0	0	0	0	114.1
291	S	33.3	Very low	33.5	Very low	93 Å²	93	146.1 Å²	146.1	65%	0.65	76%	0.755	S	S	*	*			cis	-146.9	147.2	16.9	-49.4	0	0	0	0	114.9
292	D	34.1	Very low	33.3	Very low	158 Å²	158	149.8 Å²	149.8	85%	0.845	76%	0.76	S	S	*	*			trans	47.4	101.2	146.2	-51.3	-33.4	0	0	0	122.4
293	E	29.8	Very low	32.8	Very low	184 Å²	184	149.9 Å²	149.9	86%	0.86	76%	0.76	S	S	*	*			trans	-88	113.4	153.7	-73.3	-163.7	124.6	0	0	111.6	H295	E293-H295 PolarHBondContact O-N 3.41Å
294	G	32.9	Very low	32.4	Very low	76 Å²	76	147.6 Å²	147.6	78%	0.784	76%	0.762	S	S	*	*			trans	-82	90.4	170.5	0	0	0	0	0	112.8	I296	G294-I296 PolarHBondContact O-N 3.37Å
295	H	34.6	Very low	32	Very low	156 Å²	156	146.8 Å²	146.8	72%	0.722	76%	0.761	S	S	*	*			trans	-75.5	94.5	-171.2	-152.9	96.8	0	0	0	113.6	E293	E293-H295 PolarHBondContact O-N 3.41Å
296	I	34.5	Very low	31.7	Very low	135 Å²	135	146.8 Å²	146.8	69%	0.692	77%	0.77	S	S	*	*			trans	-57	126.1	173.1	-59.9	175.4	0	0	0	110	G294 K298	G294-I296 PolarHBondContact O-N 3.37Å; I296-K298 VanDerWaalsContact C-N 3.34Å; I296-K298 PolarHBondContact O-N 2.99Å
297	P	36.2	Very low	31.3	Very low	118 Å²	118	148.2 Å²	148.2	77%	0.766	78%	0.775	S	S	*	*			trans	-71.2	89.2	175.9	29.6	-34.4	0	0	0	110.3
298	K	33.3	Very low	31	Very low	171 Å²	171	144.1 Å²	144.1	74%	0.743	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-51.7	137	167.7	-67.8	171.2	-176.4	166.1	0	108.6	I296 K300	I296-K298 VanDerWaalsContact C-N 3.34Å; I296-K298 PolarHBondContact O-N 2.99Å; K298-K300 PolarHBondContact O-N 3.03Å
299	P	34.3	Very low	30.9	Very low	128 Å²	128	143 Å²	143	83%	0.831	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-57.9	120.3	-178.5	23.7	-33.6	0	0	0	109.2	K301	P299-K301 PolarHBondContact O-N 2.8Å; P299-K301 VanDerWaalsContact O-N 3.08Å
300	K	31.9	Very low	30.8	Very low	190 Å²	190	146.9 Å²	146.9	83%	0.826	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-58.9	117.8	176.8	-73.5	-179.3	177.7	176.2	0	107.7	K298 I302	K298-K300 PolarHBondContact O-N 3.03Å; K300-I302 HydrophobicContact CB-CG1 4.33Å; K300-I302 PolarHBondContact O-N 2.86Å
301	K	28.5	Very low	30.7	Very low	200 Å²	200	152.7 Å²	152.7	87%	0.87	80%	0.798	S	S	*	*			trans	-62.7	91.3	160.5	-90.5	-169.2	171.7	-173.9	0	107.2	P299 V303	P299-K301 PolarHBondContact O-N 2.8Å; P299-K301 VanDerWaalsContact O-N 3.08Å; K301-V303 VanDerWaalsContact C-N 3.26Å; K301-V303 PolarHBondContact O-N 3.07Å
302	I	27.7	Very low	30.6	Very low	136 Å²	136	155.5 Å²	155.5	70%	0.697	80%	0.804	S	S	*	*			trans	-71.9	92	169	-56.2	-178.4	0	0	0	106.3	K300 C304	K300-I302 HydrophobicContact CB-CG1 4.33Å; K300-I302 PolarHBondContact O-N 2.86Å; I302-C304 VanDerWaalsContact C-N 3.27Å; I302-C304 VanDerWaalsContact CG2-SG 3.57Å; I302-C304 PolarHBondContact O-N 3.29Å
303	V	27.1	Very low	30.3	Very low	120 Å²	120	155.3 Å²	155.3	73%	0.727	80%	0.803	S	S	*	*			trans	-71.6	92.6	160.8	178.8	0	0	0	0	105.8	K301 Q305	K301-V303 VanDerWaalsContact C-N 3.26Å; K301-V303 PolarHBondContact O-N 3.07Å; V303-Q305 VanDerWaalsContact C-N 3.34Å; V303-Q305 PolarHBondContact O-N 3.06Å
304	C	27.9	Very low	30.3	Very low	108 Å²	108	153.9 Å²	153.9	73%	0.73	80%	0.796	S	S	*	*			trans	-65.2	96.4	171	-78	0	0	0	0	109	I302	I302-C304 VanDerWaalsContact C-N 3.27Å; I302-C304 VanDerWaalsContact CG2-SG 3.57Å; I302-C304 PolarHBondContact O-N 3.29Å
305	Q	29.3	Very low	30.2	Very low	170 Å²	170	156.2 Å²	156.2	79%	0.794	79%	0.789	S	S	*	*			trans	-62	140.3	157.6	-76.7	-174.4	-34	0	0	109	V303 R307	V303-Q305 VanDerWaalsContact C-N 3.34Å; V303-Q305 PolarHBondContact O-N 3.06Å; Q305-R307 PolarHBondContact O-N 3.19Å
306	E	28.8	Very low	29.9	Very low	200 Å²	200	157.5 Å²	157.5	94%	0.935	79%	0.793	S	S	*	*	S	Bend	trans	-68.5	85.8	-172.8	-62.4	166.6	108.4	0	0	112.3
307	R	26.9	Very low	29.6	Very low	240 Å²	240	159.7 Å²	159.7	91%	0.906	80%	0.798	S	S	*	*			trans	-140.2	96.9	170.2	-71.5	-166.2	175	-178.5	-0.4	112.8	Q305	Q305-R307 PolarHBondContact O-N 3.19Å
308	G	26.2	Very low	29.2	Very low	81 Å²	81	163.2 Å²	163.2	84%	0.835	80%	0.801	S	S	*	*			trans	105.8	100.1	150.4	0	0	0	0	0	116.9
309	S	28.9	Very low	29.1	Very low	115 Å²	115	160.5 Å²	160.5	80%	0.804	79%	0.793	S	S	*	*				-150.4	110.4	111.4	-166.3	0	0	0	0	110.1
310	K	30.7	Very low	29.1	Very low	208 Å²	208	160.4 Å²	160.4	90%	0.904	79%	0.792	S	S	*	*			trans	-103.3	80.1	170.9	-80.5	-169	173.9	-172.6	0	108.9
311	R	28.4	Very low	29	Very low	219 Å²	219	154.1 Å²	154.1	83%	0.826	78%	0.781	S	S	*	*			trans	-178.5	116.1	162.3	-108.3	164.7	179.4	-178.1	-1.1	110.9
312	I	31.1	Very low	29.4	Very low	152 Å²	152	150 Å²	150	78%	0.779	78%	0.775	S	S	*	*			trans	165	86.4	131.8	-81	153.9	0	0	0	105.6
313	D	27.6	Very low	29.4	Very low	155 Å²	155	151.9 Å²	151.9	83%	0.829	79%	0.785	S	S	*	*			trans	-120.8	38.7	-172.5	-70.2	-72.7	0	0	0	111.8
314	E	29.9	Very low	29.6	Very low	154 Å²	154	156.1 Å²	156.1	72%	0.72	79%	0.79	S	S	*	*			trans	-130.8	32	-171.7	-64.8	-157.7	117.7	0	0	115.5
315	I	30.6	Very low	29.6	Very low	124 Å²	124	156.1 Å²	156.1	64%	0.636	79%	0.791	S	S	*	*	S	Bend	trans	-129.3	36.2	170.8	-33.9	-178.6	0	0	0	113.1
316	F	27.9	Very low	29.6	Very low	183 Å²	183	153.4 Å²	153.4	80%	0.803	79%	0.791	S	S	*	*			trans	-142.9	66.2	171.6	-91.8	-76.7	0	0	0	112.8
317	K	28.1	Very low	29.8	Very low	182 Å²	182	149.9 Å²	149.9	79%	0.791	79%	0.787	S	S	*	*			trans	-145.2	72.5	169.2	-72.3	-177.8	-176.6	162.6	0	112
318	F	28.1	Very low	29.8	Very low	191 Å²	191	142.3 Å²	142.3	84%	0.838	78%	0.783	S	S	*	*			trans	-170.9	56.1	155.9	-98	-56.6	0	0	0	113.1
319	M	30.6	Very low	30.1	Very low	115 Å²	115	144.1 Å²	144.1	57%	0.567	78%	0.783	S	S	*	*			trans	-140.1	126.2	156.2	-67.8	-165.8	94.9	0	0	109.7	A729	M319-A729 HydrophobicContact CE-CB 3.64Å
320	P	34.2	Very low	30.2	Very low	126 Å²	126	145 Å²	145	82%	0.818	78%	0.784	S	S	*	*			trans	-71.2	129.8	159.7	30.6	-30.6	0	0	0	108.4
321	G	31.6	Very low	30.3	Very low	57 Å²	57	140.6 Å²	140.6	59%	0.588	78%	0.779	S	S	*	*			trans	-63.4	147.1	176.6	0	0	0	0	0	111.7	L323	G321-L323 PolarHBondContact O-N 3.23Å
322	P	35.4	Very low	30.6	Very low	115 Å²	115	136.3 Å²	136.3	75%	0.747	78%	0.78	S	S	*	*			trans	-66.9	108.3	-178.4	26.9	-34	0	0	0	111.2	Y324	P322-Y324 PolarHBondContact O-N 3.13Å
323	L	27.5	Very low	30.6	Very low	174 Å²	174	135.4 Å²	135.4	91%	0.911	78%	0.781	S	S	*	*			trans	-70.6	89.5	170	-72.8	174.1	0	0	0	109.8	G321 S325	G321-L323 PolarHBondContact O-N 3.23Å; L323-S325 PolarHBondContact O-N 3.2Å
324	Y	32.3	Very low	31	Very low	209 Å²	209	137.1 Å²	137.1	82%	0.82	78%	0.784	S	S	*	*			trans	-69	111.7	167.2	-98.7	-83.1	0	0	0	110.2	P322 S326	P322-Y324 PolarHBondContact O-N 3.13Å; Y324-S326 PolarHBondContact O-N 3.11Å; Y324-S326 VanDerWaalsContact O-N 3.12Å
325	S	26.9	Very low	31	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	79%	0.787	S	S	*	*			trans	-70.6	99.9	173.3	54.9	0	0	0	0	110.6	L323 C327	L323-S325 PolarHBondContact O-N 3.2Å; S325-C327 PolarHBondContact O-N 3.42Å
326	S	30.6	Very low	31.4	Very low	113 Å²	113	136 Å²	136	79%	0.79	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.7	117.6	167.7	56.9	0	0	0	0	110	Y324 G328	Y324-S326 PolarHBondContact O-N 3.11Å; Y324-S326 VanDerWaalsContact O-N 3.12Å; S326-G328 PolarHBondContact O-N 3.3Å
327	C	31.7	Very low	31.5	Very low	127 Å²	127	137.6 Å²	137.6	86%	0.858	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-58.7	121.2	176	-54.3	0	0	0	0	110.6	S325	S325-C327 PolarHBondContact O-N 3.42Å
328	G	27.5	Very low	31.6	Very low	80 Å²	80	134.4 Å²	134.4	83%	0.825	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.3	128.6	-179.4	0	0	0	0	0	112.7	S326	S326-G328 PolarHBondContact O-N 3.3Å
329	S	33.1	Very low	31.9	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	78%	0.782	S	S	*	*			trans	-125.1	97.8	165.5	61.2	0	0	0	0	109.8
330	T	30.4	Very low	32.1	Very low	135 Å²	135	133.5 Å²	133.5	83%	0.828	79%	0.791	S	S	*	*			trans	-84.1	131.7	-178.3	51	0	0	0	0	112.7
331	S	32.6	Very low	32.3	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	79%	0.793	S	S	*	*			trans	-165.7	135.5	142	-82.8	0	0	0	0	110.7
332	P	34.6	Very low	32.4	Very low	130 Å²	130	136.1 Å²	136.1	84%	0.844	80%	0.801	S	S	*	*			trans	-85.2	152	-177.7	34.5	-35.1	0	0	0	112.7
333	T	30.8	Very low	33	Very low	132 Å²	132	135.7 Å²	135.7	81%	0.81	80%	0.797	S	S	*	*			trans	-88.1	134.5	178.1	-28.1	0	0	0	0	111.8
334	Q	35.9	Very low	33.4	Very low	192 Å²	192	134.2 Å²	134.2	90%	0.897	80%	0.796	S	S	*	*			trans	-126.8	133	154.5	-73.4	-167.7	-1.8	0	0	110.1
335	N	31.7	Very low	33.6	Very low	145 Å²	145	127.4 Å²	127.4	78%	0.775	79%	0.789	S	S	*	*			trans	-85.5	170.2	167.7	-106.2	-47.7	0	0	0	108.9
336	P	39	Very low	34.1	Very low	108 Å²	108	126.4 Å²	126.4	70%	0.701	79%	0.788	S	S	*	*			cis	-142.2	176.6	17.5	39.4	-19.4	0	0	0	118.2
337	R	29.6	Very low	34.4	Very low	217 Å²	217	129.6 Å²	129.6	82%	0.819	79%	0.79	S	S	*	*			trans	90.9	140.7	133	-114.7	-173	179.1	-154.2	0	122.3
338	L	30.7	Very low	34.5	Very low	116 Å²	116	128 Å²	128	61%	0.607	78%	0.78	S	S	*	*			trans	93.5	103.9	148.4	-64.8	165.9	0	0	0	121.7
339	Q	32.3	Very low	34.8	Very low	178 Å²	178	130.9 Å²	130.9	83%	0.832	78%	0.776	S	S	*	*				73.5	124.8	128.8	-71.1	172.4	-19.5	0	0	122.3
340	S	34.9	Very low	34.9	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	77%	0.766	S	S	*	*			trans	-83.8	164.5	164.4	56.1	0	0	0	0	112.5
341	P	38.8	Very low	34.9	Very low	130 Å²	130	130.4 Å²	130.4	84%	0.844	76%	0.759	S	S	*	*				-144.2	-169.1	96.1	38.2	-21.8	0	0	0	115.6
342	S	33.7	Very low	34.9	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	76%	0.759	S	S	*	*			trans	-124.9	-159.3	-166.1	56.7	0	0	0	0	111.4
343	P	48.5	Very low	34.5	Very low	105 Å²	105	135.3 Å²	135.3	68%	0.682	76%	0.76	S	S	*	*				-127.6	-141.3	-62.3	36.8	-17.8	0	0	0	112
344	T	35.4	Very low	34.6	Very low	143 Å²	143	135.8 Å²	135.8	88%	0.877	76%	0.763	S	S	*	*			trans	91.8	145.3	169.8	73.4	0	0	0	0	116.9
345	G	37.5	Very low	34.2	Very low	66 Å²	66	130.1 Å²	130.1	68%	0.68	76%	0.756	S	S	*	*			cis	175.8	-172.5	-3.9	0	0	0	0	0	113.7
346	A	37	Very low	34.3	Very low	88 Å²	88	130.4 Å²	130.4	73%	0.727	76%	0.762	S	S	*	*			trans	66.1	160	170.7	0	0	0	0	0	117.6
347	H	37.1	Very low	34	Very low	180 Å²	180	131 Å²	131	83%	0.833	76%	0.759	S	S	*	*			cis	-173.5	161.6	-26.6	-95.4	-36.4	0	0	0	108.1
348	S	32.6	Very low	34.1	Very low	93 Å²	93	127.6 Å²	127.6	65%	0.65	75%	0.753	S	S	*	*			cis	-172.2	-178.1	-20.1	-162.6	0	0	0	0	110.1
349	L	35.6	Very low	34.2	Very low	141 Å²	141	129.7 Å²	129.7	74%	0.738	77%	0.765	S	S	*	*			trans	79.7	118.7	158.4	-61.2	-173	0	0	0	123
350	D	34.3	Very low	33.9	Very low	117 Å²	117	130.7 Å²	130.7	63%	0.626	76%	0.762	S	S	*	*				87.1	108	127	-71.4	-35.5	0	0	0	124.2
351	N	30.1	Very low	33.7	Very low	126 Å²	126	133.5 Å²	133.5	67%	0.674	77%	0.767	S	S	*	*				55.2	144.7	114.3	-75.3	-57.6	0	0	0	120.4
352	Q	32.4	Very low	33.2	Very low	174 Å²	174	131.2 Å²	131.2	81%	0.813	75%	0.752	S	S	*	*			cis	-151.3	-176.1	22.6	-144.1	161.9	55.7	0	0	113.6
353	M	26	Very low	33	Very low	173 Å²	173	132 Å²	132	85%	0.852	76%	0.757	S	S	*	*			trans	-74.4	153.1	-173.3	-57.4	157.4	64.9	0	0	114.3
354	V	32.5	Very low	32.1	Very low	143 Å²	143	134.5 Å²	134.5	87%	0.867	76%	0.764	S	S	*	*				-168.3	138.4	114	145.6	0	0	0	0	108.1
355	G	28.3	Very low	31.8	Very low	73 Å²	73	134.9 Å²	134.9	75%	0.753	76%	0.761	S	S	*	*			trans	-115.4	148.6	179.8	0	0	0	0	0	113
356	V	34.3	Very low	31.2	Very low	151 Å²	151	141 Å²	141	92%	0.915	77%	0.771	S	S	*	*			trans	-130.8	147.9	164.8	-176.6	0	0	0	0	107.5
357	N	31.4	Very low	30.7	Very low	120 Å²	120	141.1 Å²	141.1	64%	0.642	77%	0.773	S	S	*	*			trans	-120.1	154.2	-151.1	-164.7	17.4	0	0	0	114.5
358	H	32.2	Very low	30.2	Very low	146 Å²	146	138.9 Å²	138.9	68%	0.676	77%	0.771	S	S	*	*			trans	52.7	129.9	164.4	-65.5	-34.6	0	0	0	120.3
359	N	32.4	Very low	29.7	Very low	160 Å²	160	140.3 Å²	140.3	86%	0.856	78%	0.777	S	S	*	*				-159.1	160.5	96.4	-105.2	-41.7	0	0	0	115.8
360	Y	26.8	Very low	29.1	Very low	199 Å²	199	139.7 Å²	139.7	78%	0.78	78%	0.779	S	S	*	*			trans	-58.1	144.6	-177.9	-102.5	-121.8	0	0	0	115.2
361	I	30.8	Very low	28.6	Very low	167 Å²	167	139.2 Å²	139.2	86%	0.856	79%	0.785	S	S	*	*			trans	-136.6	119.8	135	-58.6	-176.8	0	0	0	107.9
362	P	29.1	Very low	28.2	Very low	83 Å²	83	139.3 Å²	139.3	54%	0.539	79%	0.794	S	S	.	*			trans	-86	157.6	175.2	35.2	-33.2	0	0	0	111.9
363	S	28.3	Very low	27.8	Very low	124 Å²	124	135 Å²	135	87%	0.867	79%	0.788	S	S	*	*			trans	-73.2	136.7	167.9	46.4	0	0	0	0	111.1
364	L	29.7	Very low	27.7	Very low	157 Å²	157	132.7 Å²	132.7	82%	0.822	79%	0.789	S	S	*	*			trans	-126.5	126.6	176.2	-89.7	166	0	0	0	110.6
365	N	29.4	Very low	27.5	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	78%	0.779	S	S	*	*			trans	-87.6	163.8	159.8	-73.3	-44.8	0	0	0	109.3
366	E	25.7	Very low	27.3	Very low	194 Å²	194	133.8 Å²	133.8	91%	0.907	77%	0.772	S	S	*	*			trans	63.3	99.3	168	-54.7	-169	155.2	0	0	117.7
367	A	26.3	Very low	27	Very low	92 Å²	92	129.2 Å²	129.2	76%	0.76	74%	0.741	S	S	*	*				-173.1	117	117.5	0	0	0	0	0	113.9
368	V	25.4	Very low	26.8	Very low	132 Å²	132	127.9 Å²	127.9	80%	0.8	73%	0.732	S	S	*	*			trans	44.2	136	132.5	-158.2	0	0	0	0	121.4
369	T	23.5	Very low	26.9	Very low	124 Å²	124	122 Å²	122	76%	0.761	71%	0.706	S	S	*	*			trans	83	113.3	154.4	26.5	0	0	0	0	123.2
370	T	23	Very low	26.7	Very low	128 Å²	128	114.7 Å²	114.7	79%	0.785	67%	0.666	S	S	*	*			trans	78.8	142	140.9	0.7	0	0	0	0	123.2
371	S	22.4	Very low	26.8	Very low	107 Å²	107	107.9 Å²	107.9	75%	0.748	65%	0.645	S	S	*	*			trans	82.2	147	161.8	80.4	0	0	0	0	119.5
372	C	22	Very low	26.6	Very low	128 Å²	128	100.6 Å²	100.6	87%	0.865	61%	0.609	S	S	*	*			trans	57.4	75.8	155.5	-58.7	0	0	0	0	119.5
373	A	25.2	Very low	26.9	Very low	83 Å²	83	97.1 Å²	97.1	69%	0.686	59%	0.587	S	S	*	*			trans	-150.4	84.4	157.8	0	0	0	0	0	112.9	N375	A373-N375 PolarHBondContact O-N 3.49Å; A373-N375 PolarHBondContact O-ND2 3.04Å
374	S	23.9	Very low	27	Very low	125 Å²	125	93.9 Å²	93.9	87%	0.874	56%	0.562	S	S	*	*			trans	-53.5	126.3	-179.7	-47.1	0	0	0	0	112.8
375	N	27.2	Very low	26.7	Very low	125 Å²	125	88.5 Å²	88.5	67%	0.668	54%	0.544	S	S	*	.			trans	-142.3	68.4	179.6	-85.3	-93.7	0	0	0	111.4	A373 Q377	A373-N375 PolarHBondContact O-N 3.49Å; A373-N375 PolarHBondContact O-ND2 3.04Å; N375-Q377 PolarHBondContact O-N 3.35Å
376	D	25	Very low	26.5	Very low	113 Å²	113	85.8 Å²	85.8	60%	0.604	53%	0.533	S	S	*	.			trans	-57	99.6	156.9	-84.1	9.5	0	0	0	108.3	K591	D376-K591 IonicContact OD2-NZ 3.38Å; D376-K591 PolarHBondContact OD2-NZ 2.95Å
377	Q	27.6	Very low	26.6	Very low	56 Å²	56	80.4 Å²	80.4	26%	0.262	51%	0.508	S	S	.	.			trans	155.6	101.4	157.2	-87	151.8	94.8	0	0	112	N375 E595 T599	N375-Q377 PolarHBondContact O-N 3.35Å; Q377-E595 VanDerWaalsContact CD-CB 3.45Å; Q377-E595 HydrophobicContact CG-CB 4.25Å; Q377-E595 HydrophobicContact CG-CG 4.09Å; Q377-E595 PolarHBondContact OE1-O 3.24Å; Q377-T599 PolarHBondContact OE1-OG1 2.92Å
378	M	27.1	Very low	26.5	Very low	91 Å²	91	82.6 Å²	82.6	45%	0.448	50%	0.497	S	S	.	.			trans	-175.7	112.1	144	-106.3	-180	-59.6	0	0	106.8	N830 F834	M378-N830 PolarHBondContact O-ND2 3.05Å; M378-N830 PolarHBondContact O-OD1 3.16Å; M378-F834 HydrophobicContact SD-CE2 4.47Å; M378-F834 HydrophobicContact SD-CZ 3.8Å
379	I	34.2	Very low	26.5	Very low	24 Å²	24	79.5 Å²	79.5	12%	0.123	49%	0.486	C	S	.	.			trans	-142.6	126	-157.4	-61	144.7	0	0	0	110.4	L748 K758 Y826 N830	I379-L748 HydrophobicContact CB-CD2 3.7Å; I379-L748 HydrophobicContact CD1-CD2 4.44Å; I379-L748 HydrophobicContact CG2-CD1 3.83Å; I379-L748 HydrophobicContact CG2-CD2 3.48Å; I379-L748 VanDerWaalsContact CG2-CD2 3.48Å; I379-L748 HydrophobicContact CG2-CG 4.19Å; I379-K758 HydrophobicContact CD1-CD 4.38Å; I379-Y826 WeakPolarHBondContact CD1-OH 3.45Å; I379-Y826 WeakPolarHBondContact CG1-OH 3.33Å; I379-Y826 HydrophobicContact CG2-CE2 3.7Å; I379-N830 PolarHBondContact N-OD1 2.9Å
380	I	27.9	Very low	26.5	Very low	6 Å²	6	78.7 Å²	78.7	3%	0.031	48%	0.477	C	S	.	.			trans	41.9	119.7	162.3	-54	171.7	0	0	0	118.3	L748 S827 L879	I380-L748 HydrophobicContact CB-CB 4.4Å; I380-L748 HydrophobicContact CB-CD1 4.32Å; I380-L748 HydrophobicContact CD1-CD1 4.34Å; I380-L748 CarbonylContact O-C 3.56Å; I380-L748 VanDerWaalsContact O-C 3.26Å; I380-L748 WeakPolarHBondContact O-CB 3.33Å; I380-S827 WeakPolarHBondContact CD1-O 3.34Å; I380-L879 HydrophobicContact CD1-CD1 4.31Å; I380-L879 HydrophobicContact CG1-CD2 4.48Å; I380-L879 HydrophobicContact CG2-CD2 4.47Å
381	T	28.5	Very low	26.6	Very low	55 Å²	55	80 Å²	80	34%	0.337	48%	0.479	S	S	.	.			trans	-136.5	60.6	149.7	-51.4	0	0	0	0	111.9	V383 L748	T381-V383 VanDerWaalsContact C-N 3.31Å; T381-V383 HydrophobicContact CG2-CG2 4.25Å; T381-V383 PolarHBondContact O-N 3.01Å; T381-V383 VanDerWaalsContact O-N 3.17Å; T381-L748 PolarHBondContact OG1-O 3.35Å
382	S	26.9	Very low	26.7	Very low	14 Å²	14	78 Å²	78	10%	0.098	47%	0.469	C	S	.	.			trans	-82.1	74.7	164.3	62.4	0	0	0	0	110	G876 T892	S382-G876 WeakPolarHBondContact CB-O 3.3Å; S382-T892 WeakPolarHBondContact OG-CG2 3.46Å
383	V	34.5	Very low	26.8	Very low	11 Å²	11	75.3 Å²	75.3	7%	0.067	46%	0.456	C	S	.	.	S	Bend	trans	-136.6	108.7	178.7	-157.7	0	0	0	0	110.1	T381 G385 S754 V756	T381-V383 VanDerWaalsContact C-N 3.31Å; T381-V383 HydrophobicContact CG2-CG2 4.25Å; T381-V383 PolarHBondContact O-N 3.01Å; T381-V383 VanDerWaalsContact O-N 3.17Å; V383-G385 PolarHBondContact O-N 3.09Å; V383-S754 WeakPolarHBondContact CG1-OG 3.31Å; V383-V756 HydrophobicContact CG1-CG2 4.49Å; V383-V756 HydrophobicContact CG2-CB 4.29Å; V383-V756 HydrophobicContact CG2-CG2 3.56Å
384	T	30.9	Very low	26.8	Very low	55 Å²	55	75.5 Å²	75.5	34%	0.337	46%	0.458	S	S	.	.			trans	24.5	77.5	165.5	49.2	0	0	0	0	115.6	V386	T384-V386 PolarHBondContact O-N 3.5Å
385	G	24.7	Very low	26.8	Very low	45 Å²	45	77.3 Å²	77.3	46%	0.464	45%	0.45	S	S	.	.			trans	-60.6	95.2	-166.5	0	0	0	0	0	116.1	V383 Q387	V383-G385 PolarHBondContact O-N 3.09Å; G385-Q387 PolarHBondContact O-N 2.62Å; G385-Q387 VanDerWaalsContact O-N 3.13Å
386	V	25	Very low	26.8	Very low	93 Å²	93	78 Å²	78	56%	0.564	45%	0.45	S	S	*	.			trans	-70.5	101.3	159.2	-179.8	0	0	0	0	108.1	T384 Y388	T384-V386 PolarHBondContact O-N 3.5Å; V386-Y388 HydrophobicContact CB-CE2 4.28Å; V386-Y388 HydrophobicContact CG1-CD2 4.06Å; V386-Y388 HydrophobicContact CG1-CE2 3.63Å; V386-Y388 PolarHBondContact O-N 2.91Å
387	Q	26.9	Very low	26.9	Very low	82 Å²	82	77.8 Å²	77.8	38%	0.383	45%	0.448	S	S	.	.			trans	-79.5	90.8	178.4	-71.6	169.5	-51.8	0	0	111	G385 A389 W922	G385-Q387 PolarHBondContact O-N 2.62Å; G385-Q387 VanDerWaalsContact O-N 3.13Å; Q387-A389 PolarHBondContact O-N 3.18Å; Q387-W922 VanDerWaalsContact CD-CH2 3.48Å; Q387-W922 VanDerWaalsContact CD-CZ3 3.41Å
388	Y	24.8	Very low	26.8	Very low	137 Å²	137	79.5 Å²	79.5	54%	0.537	47%	0.466	S	S	.	.			trans	-59.9	107.4	159.7	-71.7	-83	0	0	0	109.3	V386 N390	V386-Y388 HydrophobicContact CB-CE2 4.28Å; V386-Y388 HydrophobicContact CG1-CD2 4.06Å; V386-Y388 HydrophobicContact CG1-CE2 3.63Å; V386-Y388 PolarHBondContact O-N 2.91Å; Y388-N390 PolarHBondContact O-N 3.31Å
389	A	24.5	Very low	27	Very low	68 Å²	68	80.3 Å²	80.3	56%	0.562	48%	0.478	S	S	*	.			trans	-71	69.2	167.8	0	0	0	0	0	109.6	Q387 N391	Q387-A389 PolarHBondContact O-N 3.18Å; A389-N391 PolarHBondContact O-N 3.31Å
390	N	25.2	Very low	26.7	Very low	106 Å²	106	85.8 Å²	85.8	57%	0.567	51%	0.512	S	S	*	.			trans	-63.6	107.2	165.6	-92.5	36.8	0	0	0	107.4	Y388 A392	Y388-N390 PolarHBondContact O-N 3.31Å; N390-A392 PolarHBondContact O-N 2.96Å
391	N	24.8	Very low	26.7	Very low	155 Å²	155	95.5 Å²	95.5	83%	0.829	55%	0.548	S	S	*	.			trans	-66.3	74.7	168.6	-80.3	-26.7	0	0	0	110.1	A389 A393	A389-N391 PolarHBondContact O-N 3.31Å; N391-A393 PolarHBondContact O-N 3.43Å
392	A	24.8	Very low	26.7	Very low	65 Å²	65	97 Å²	97	54%	0.537	57%	0.566	S	S	.	*			trans	-66.2	84.6	158.3	0	0	0	0	0	107.1	N390 A394	N390-A392 PolarHBondContact O-N 2.96Å; A392-A394 PolarHBondContact O-N 2.91Å
393	A	24.1	Very low	26.9	Very low	73 Å²	73	101.8 Å²	101.8	60%	0.603	60%	0.6	S	S	*	*			trans	-65.2	86.1	175.8	0	0	0	0	0	109	N391 F395	N391-A393 PolarHBondContact O-N 3.43Å; A393-F395 VanDerWaalsContact C-N 3.34Å; A393-F395 HydrophobicContact CB-CD2 4.49Å; A393-F395 PolarHBondContact O-N 3.44Å
394	A	24.8	Very low	26.5	Very low	87 Å²	87	106.8 Å²	106.8	72%	0.719	64%	0.636	S	S	*	*			trans	-63.3	95.7	175.6	0	0	0	0	0	108.7	A392 Q396	A392-A394 PolarHBondContact O-N 2.91Å; A394-Q396 PolarHBondContact O-N 2.82Å
395	F	23.7	Very low	26.6	Very low	163 Å²	163	111.3 Å²	111.3	72%	0.715	66%	0.663	S	S	*	*			trans	-70.9	57.9	178.1	-101.4	-85.1	0	0	0	111.6	A393 L397	A393-F395 VanDerWaalsContact C-N 3.34Å; A393-F395 HydrophobicContact CB-CD2 4.49Å; A393-F395 PolarHBondContact O-N 3.44Å; F395-L397 HydrophobicContact CD1-CD1 4.47Å; F395-L397 HydrophobicContact CD1-CG 4.3Å; F395-L397 PolarHBondContact O-N 3.02Å
396	Q	26.3	Very low	26.9	Very low	140 Å²	140	114.1 Å²	114.1	65%	0.654	68%	0.682	S	S	*	*			trans	-68.7	86	162.6	-75.3	-160.8	-12.7	0	0	108.7	A394 S398	A394-Q396 PolarHBondContact O-N 2.82Å; Q396-S398 PolarHBondContact O-N 3.22Å
397	L	27.2	Very low	27.3	Very low	107 Å²	107	114.7 Å²	114.7	56%	0.56	69%	0.69	S	S	*	*			trans	-67.7	77.1	168.8	-78.9	157.7	0	0	0	109.3	F395 P399	F395-L397 HydrophobicContact CD1-CD1 4.47Å; F395-L397 HydrophobicContact CD1-CG 4.3Å; F395-L397 PolarHBondContact O-N 3.02Å; L397-P399 WeakPolarHBondContact O-CD 3.31Å
398	S	25.2	Very low	27.6	Very low	92 Å²	92	118.9 Å²	118.9	64%	0.643	71%	0.714	S	S	*	*			trans	-59.7	118.2	174.2	55.6	0	0	0	0	109.8	Q396 V400	Q396-S398 PolarHBondContact O-N 3.22Å; S398-V400 PolarHBondContact O-N 3.25Å
399	P	31.6	Very low	28.1	Very low	109 Å²	109	116.5 Å²	116.5	71%	0.708	72%	0.718	S	S	*	*			trans	-76.2	93.8	-174.5	29.6	-34.3	0	0	0	110.8	L397 R401	L397-P399 WeakPolarHBondContact O-CD 3.31Å; P399-R401 PolarHBondContact O-N 3Å
400	V	27.6	Very low	28.6	Very low	139 Å²	139	120.4 Å²	120.4	84%	0.842	73%	0.729	S	S	*	*			trans	-65.4	99.1	173.1	179.7	0	0	0	0	109.4	S398	S398-V400 PolarHBondContact O-N 3.25Å
401	R	29.6	Very low	29.2	Very low	209 Å²	209	120.5 Å²	120.5	79%	0.789	74%	0.738	S	S	*	*			trans	-102.3	100.4	173.1	-158.7	176	-166.9	-164.7	-1.1	109	P399	P399-R401 PolarHBondContact O-N 3Å
402	A	27.2	Very low	29.8	Very low	86 Å²	86	118.7 Å²	118.7	71%	0.711	74%	0.737	S	S	*	*			trans	-68	139.2	175.4	0	0	0	0	0	111
403	S	31.1	Very low	30.2	Very low	115 Å²	115	118.8 Å²	118.8	80%	0.804	75%	0.745	S	S	*	*			trans	-156.2	119.5	168.7	-69.8	0	0	0	0	107.5
404	S	26.2	Very low	30.8	Very low	117 Å²	117	122.6 Å²	122.6	82%	0.818	76%	0.756	S	S	*	*			trans	-117.6	124.9	-167.4	-49.1	0	0	0	0	111.6
405	T	33.3	Very low	31.2	Very low	150 Å²	150	125.2 Å²	125.2	92%	0.92	76%	0.757	S	S	*	*			trans	-144.6	159	157.3	39.9	0	0	0	0	108
406	A	31.5	Very low	31.7	Very low	104 Å²	104	123.7 Å²	123.7	86%	0.86	76%	0.764	S	S	*	*			trans	-148.6	148	-158.8	0	0	0	0	0	115.7
407	S	32.6	Very low	32	Very low	105 Å²	105	123.5 Å²	123.5	73%	0.734	77%	0.772	S	S	*	*			trans	-166.4	121.1	157	39.1	0	0	0	0	106.5
408	L	33.9	Very low	32.1	Very low	169 Å²	169	123.6 Å²	123.6	89%	0.885	78%	0.781	S	S	*	*				67.3	131.9	79.6	-66.4	170.6	0	0	0	112.9
409	S	36	Very low	32.3	Very low	87 Å²	87	127.6 Å²	127.6	61%	0.608	79%	0.792	S	S	*	*			cis	-164.5	160.8	2	50.7	0	0	0	0	113.6
410	D	34.6	Very low	32.1	Very low	150 Å²	150	128.8 Å²	128.8	80%	0.802	80%	0.797	S	S	*	*			trans	63.2	156.5	152.2	-54.7	-23.3	0	0	0	120.1
411	S	37.9	Very low	32.2	Very low	108 Å²	108	125.5 Å²	125.5	76%	0.755	79%	0.791	S	S	*	*			cis	-172.1	170.4	-12.7	47.8	0	0	0	0	108.4
412	S	36.2	Very low	32	Very low	117 Å²	117	123.6 Å²	123.6	82%	0.818	80%	0.796	S	S	*	*			cis	-167.8	172.7	-24.1	54	0	0	0	0	109.9
413	G	33.9	Very low	32.1	Very low	68 Å²	68	124.8 Å²	124.8	70%	0.701	80%	0.799	S	S	*	*			trans	86.7	146.9	170.4	0	0	0	0	0	116.8
414	D	35.8	Very low	31.9	Very low	153 Å²	153	127.5 Å²	127.5	82%	0.818	80%	0.801	S	S	*	*			cis	-157.8	160.1	-4.6	-110	-24.2	0	0	0	113.4
415	N	34.2	Very low	31.9	Very low	142 Å²	142	129 Å²	129	76%	0.759	81%	0.805	S	S	*	*			trans	53.6	116.7	159.7	-69.8	-46.2	0	0	0	122.9
416	P	34.4	Very low	31.7	Very low	130 Å²	130	125.9 Å²	125.9	84%	0.844	79%	0.794	S	S	*	*			trans	-107.8	139	153.3	36	-26.8	0	0	0	112.8
417	V	33	Very low	31.5	Very low	137 Å²	137	128.2 Å²	128.2	83%	0.83	79%	0.793	S	S	*	*			trans	-110.2	134.3	173.8	176.1	0	0	0	0	110.7
418	S	28.3	Very low	31.5	Very low	108 Å²	108	129.5 Å²	129.5	76%	0.755	80%	0.796	S	S	*	*			trans	-91.3	140.3	173.9	53.3	0	0	0	0	112
419	M	29.4	Very low	31.2	Very low	177 Å²	177	127.9 Å²	127.9	87%	0.872	79%	0.788	S	S	*	*			trans	-137.4	108.2	167.2	-98.7	-79.5	-84.2	0	0	108.6
420	V	28.4	Very low	31	Very low	134 Å²	134	127.6 Å²	127.6	81%	0.812	79%	0.791	S	S	*	*			trans	-89.1	113.3	169.4	175.7	0	0	0	0	107.4	L422	V420-L422 HydrophobicContact CG1-CD1 4.31Å
421	G	29.1	Very low	30.8	Very low	70 Å²	70	127.7 Å²	127.7	72%	0.722	79%	0.791	S	S	*	*			trans	-124	102.4	178.5	0	0	0	0	0	111.6
422	L	26.1	Very low	30.6	Very low	168 Å²	168	127.6 Å²	127.6	88%	0.88	79%	0.788	S	S	*	*			trans	-78.4	125.7	158.9	-71.7	88.7	0	0	0	108.1	V420	V420-L422 HydrophobicContact CG1-CD1 4.31Å
423	S	27.5	Very low	30.4	Very low	112 Å²	112	127.9 Å²	127.9	78%	0.783	79%	0.785	S	S	*	*			trans	-149.9	113.8	155.1	-163.5	0	0	0	0	112.7
424	M	27.4	Very low	30.2	Very low	172 Å²	172	129.8 Å²	129.8	85%	0.847	79%	0.788	S	S	*	*			trans	13.5	131.8	151.8	-60.3	-173.4	176.1	0	0	121.1	A426	M424-A426 PolarHBondContact O-N 3.16Å
425	V	26.6	Very low	29.9	Very low	147 Å²	147	128 Å²	128	89%	0.891	79%	0.786	S	S	*	*			trans	-51.3	122.1	147.4	-166.3	0	0	0	0	109.4
426	A	29.6	Very low	29.8	Very low	85 Å²	85	127.1 Å²	127.1	70%	0.702	79%	0.786	S	S	*	*			trans	-122.3	85.1	177.4	0	0	0	0	0	110.4	M424 V428	M424-A426 PolarHBondContact O-N 3.16Å; A426-V428 PolarHBondContact O-N 3.02Å
427	N	27.2	Very low	29.6	Very low	154 Å²	154	128.1 Å²	128.1	82%	0.824	78%	0.782	S	S	*	*			trans	-80	109.4	171.5	-171.8	27.4	0	0	0	108.8
428	V	31.4	Very low	29.8	Very low	132 Å²	132	126.4 Å²	126.4	80%	0.8	77%	0.774	S	S	*	*			trans	-109.5	115.1	-179.7	-179	0	0	0	0	109.7	A426	A426-V428 PolarHBondContact O-N 3.02Å
429	N	28.1	Very low	29.9	Very low	134 Å²	134	126.4 Å²	126.4	72%	0.717	77%	0.773	S	S	*	*			trans	-109.6	120.2	-171.3	-169.9	28.9	0	0	0	110.2
430	A	32.6	Very low	30	Very low	82 Å²	82	125.5 Å²	125.5	68%	0.678	77%	0.772	S	S	*	*			trans	-166.9	133.3	166.5	0	0	0	0	0	109.1
431	N	29.1	Very low	30.3	Very low	151 Å²	151	123.6 Å²	123.6	81%	0.807	77%	0.77	S	S	*	*			cis	-147.1	131	-5.7	-110.5	-7.1	0	0	0	108.9
432	P	33.2	Very low	30.6	Very low	107 Å²	107	126.8 Å²	126.8	70%	0.695	78%	0.776	S	S	*	*			trans	-100.9	131.8	169.6	34.8	-28.4	0	0	0	111.9
433	T	33.7	Very low	31	Very low	123 Å²	123	124.7 Å²	124.7	76%	0.755	77%	0.772	S	S	*	*			trans	-127.3	107.3	170.4	48.9	0	0	0	0	110.8
434	S	30	Very low	31.3	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	77%	0.772	S	S	*	*			trans	37.4	125.5	131	58.1	0	0	0	0	117.9
435	C	29.2	Very low	31.7	Very low	117 Å²	117	123.8 Å²	123.8	79%	0.791	77%	0.768	S	S	*	*			cis	-176.1	165	42.4	-124.7	0	0	0	0	109.6
436	T	30.7	Very low	31.8	Very low	122 Å²	122	121.2 Å²	121.2	75%	0.748	75%	0.752	S	S	*	*			cis	-140.4	-134.5	-0.1	-45.4	0	0	0	0	110.1
437	I	30.4	Very low	31.7	Very low	151 Å²	151	127.4 Å²	127.4	77%	0.774	76%	0.759	S	S	*	*			trans	-169.6	163.1	-165.8	-114.1	169.6	0	0	0	106.6
438	P	37.9	Very low	31.8	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	75%	0.752	S	S	*	*			cis	-150.6	-168.2	-20.5	44.4	-24.7	0	0	0	117.3
439	C	29.5	Very low	31.7	Very low	109 Å²	109	125.3 Å²	125.3	74%	0.736	75%	0.751	S	S	*	*			trans	97.9	150	132.6	-84.6	0	0	0	0	126.1
440	N	33.4	Very low	31.6	Very low	157 Å²	157	126.5 Å²	126.5	84%	0.84	76%	0.756	S	S	*	*			trans	74.3	135.5	163.7	-62.9	-6.8	0	0	0	119
441	A	33.5	Very low	31.4	Very low	95 Å²	95	131.3 Å²	131.3	79%	0.785	77%	0.765	S	S	*	*			cis	-159.4	159.7	-14.1	0	0	0	0	0	112.4
442	T	34.7	Very low	31.5	Very low	136 Å²	136	131.7 Å²	131.7	83%	0.834	77%	0.766	S	S	*	*			trans	-92.8	-175.9	176.6	10.6	0	0	0	0	112
443	P	35.7	Very low	31.6	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	77%	0.772	S	S	*	*			cis	-147.5	179.5	26	45.9	-25	0	0	0	120.3
444	L	33.6	Very low	31.5	Very low	148 Å²	148	131.4 Å²	131.4	78%	0.775	78%	0.775	S	S	*	*			trans	-81.5	163.7	159	-94.6	141.7	0	0	0	110.7
445	P	36.3	Very low	31.6	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	78%	0.775	S	S	*	*				-144.5	175.7	66.8	30.7	-6.7	0	0	0	115.6
446	T	28.1	Very low	32	Very low	92 Å²	92	132.8 Å²	132.8	56%	0.564	77%	0.772	S	S	*	*			cis	108.7	122.5	18.1	-17.3	0	0	0	0	116.2
447	Y	27.7	Very low	32	Very low	216 Å²	216	133.7 Å²	133.7	85%	0.847	77%	0.772	S	S	*	*			trans	56.6	140.6	166.8	-60.6	-62.6	0	0	0	119.4
448	S	29.7	Very low	32	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	77%	0.773	S	S	*	*				-170.3	165.4	53.2	-54.3	0	0	0	0	114.9
449	N	28.5	Very low	31.8	Very low	146 Å²	146	132.4 Å²	132.4	78%	0.781	78%	0.779	S	S	*	*			trans	68.7	112.8	149.7	-64.5	-20.3	0	0	0	123.5
450	L	26.5	Very low	31.7	Very low	158 Å²	158	137.7 Å²	137.7	83%	0.827	79%	0.785	S	S	*	*				36.1	116.5	122.7	-71	159.5	0	0	0	120.6
451	Q	28.6	Very low	32.1	Very low	183 Å²	183	136.2 Å²	136.2	86%	0.855	78%	0.784	S	S	*	*				-160.2	143.9	128	-159.6	66.6	-25.7	0	0	111.9
452	L	31.4	Very low	31.9	Very low	159 Å²	159	139.8 Å²	139.8	83%	0.832	78%	0.784	S	S	*	*			trans	-88.4	151.8	168.6	-77	162.4	0	0	0	111.3
453	P	34.2	Very low	31.8	Very low	127 Å²	127	139.8 Å²	139.8	83%	0.825	78%	0.784	S	S	*	*			trans	-119.9	156.7	151.2	35.3	-25.6	0	0	0	113.3
454	A	31.8	Very low	31.7	Very low	98 Å²	98	137.1 Å²	137.1	81%	0.81	78%	0.779	S	S	*	*			trans	-82.7	160.2	-166.4	0	0	0	0	0	115.7
455	N	31.5	Very low	31.5	Very low	142 Å²	142	139 Å²	139	76%	0.759	78%	0.784	S	S	*	*			trans	-77.5	143.8	165.9	175.7	24.1	0	0	0	111.5	N457	N455-N457 PolarHBondContact OD1-N 3.36Å
456	P	39	Very low	31.3	Very low	111 Å²	111	139.6 Å²	139.6	72%	0.721	79%	0.788	S	S	*	*			trans	-129.7	108.6	148.6	34.6	-20.6	0	0	0	114.3
457	N	30.2	Very low	31.6	Very low	140 Å²	140	140.9 Å²	140.9	75%	0.749	80%	0.8	S	S	*	*			trans	47.4	118.5	137.8	-65.8	-11.1	0	0	0	122.4	N455	N455-N457 PolarHBondContact OD1-N 3.36Å
458	S	29.4	Very low	31.8	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	80%	0.801	S	S	*	*				65.7	108.5	122.7	-178.9	0	0	0	0	120.6
459	S	34.3	Very low	32	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	81%	0.805	S	S	*	*				-166.2	142	109.3	24.7	0	0	0	0	112.4
460	Y	28.4	Very low	32	Very low	220 Å²	220	139.5 Å²	139.5	86%	0.863	81%	0.808	S	S	*	*			trans	-82.8	161.1	161.6	-85.4	-92.8	0	0	0	109.6
461	P	40.1	Very low	32.3	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	81%	0.81	S	S	*	*				-124.4	175.6	106	36.6	-33.6	0	0	0	113.9
462	Q	30.7	Very low	32.5	Very low	170 Å²	170	135.9 Å²	135.9	79%	0.794	80%	0.802	S	S	*	*			trans	-132.2	168.7	-171.5	-167	-158.8	21.7	0	0	109
463	V	31.5	Very low	32.5	Very low	136 Å²	136	133.8 Å²	133.8	82%	0.824	80%	0.801	S	S	*	*			trans	78.2	140.3	168.6	-169.8	0	0	0	0	113.3
464	G	33.3	Very low	32.6	Very low	68 Å²	68	131.1 Å²	131.1	70%	0.701	80%	0.797	S	S	*	*			cis	-156.3	-153.5	11.9	0	0	0	0	0	116.8
465	Q	31	Very low	32.8	Very low	187 Å²	187	132.3 Å²	132.3	87%	0.874	80%	0.799	S	S	*	*			trans	-82.2	158.8	-158.9	-66.1	171.6	-71.8	0	0	115.2
466	P	32.2	Very low	32.9	Very low	132 Å²	132	131.2 Å²	131.2	86%	0.857	80%	0.801	S	S	*	*			trans	-75	146.7	167.8	32.8	-35.5	0	0	0	112
467	S	34	Very low	33.1	Very low	118 Å²	118	132.1 Å²	132.1	83%	0.825	81%	0.807	S	S	*	*			trans	-145.7	159.9	169.3	61.9	0	0	0	0	111
468	V	31.9	Very low	33.4	Very low	141 Å²	141	132.2 Å²	132.2	86%	0.855	81%	0.807	S	S	*	*			trans	-110.6	137.4	-165	-170.1	0	0	0	0	110.7
469	G	33.1	Very low	33.7	Very low	74 Å²	74	134 Å²	134	76%	0.763	81%	0.808	S	S	*	*			trans	-152.3	133.1	176.3	0	0	0	0	0	112.9
470	Y	28.6	Very low	34.3	Very low	215 Å²	215	133.5 Å²	133.5	84%	0.843	80%	0.802	S	S	*	*			trans	-99.9	178.3	175	-97	-103.7	0	0	0	111
471	L	33.5	Very low	34.6	Very low	166 Å²	166	130.9 Å²	130.9	87%	0.869	80%	0.8	S	S	*	*			trans	83.4	142	168.9	-53.6	173.4	0	0	0	115.9
472	S	32.1	Very low	34.5	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	80%	0.797	S	S	*	*			cis	-160.7	149.1	-18.1	-164.3	0	0	0	0	113.2
473	S	32.7	Very low	34.7	Very low	115 Å²	115	126.9 Å²	126.9	80%	0.804	79%	0.789	S	S	*	*			trans	24.2	130.2	147	63	0	0	0	0	123.8
474	G	34.5	Very low	35	Very low	72 Å²	72	127.7 Å²	127.7	74%	0.742	79%	0.789	S	S	*	*			trans	131.6	144.5	146	0	0	0	0	0	115
475	S	36.6	Very low	35	Very low	123 Å²	123	130.7 Å²	130.7	86%	0.86	79%	0.793	S	S	*	*			cis	-158.8	156.8	-9.7	-76.9	0	0	0	0	110.1
476	C	34	Very low	35.5	Very low	119 Å²	119	127.5 Å²	127.5	80%	0.804	79%	0.788	S	S	*	*			trans	-90.5	168.6	174.6	-61.9	0	0	0	0	112.6
477	P	43.3	Very low	35.5	Very low	130 Å²	130	125.8 Å²	125.8	84%	0.844	79%	0.785	S	S	*	*				-142.4	179.6	113	36.1	-20.4	0	0	0	115.6
478	N	36.4	Very low	35.8	Very low	141 Å²	141	127 Å²	127	75%	0.754	79%	0.788	S	S	*	*			trans	-110.4	-177.8	-163.1	-66.2	-32.2	0	0	0	115.7
479	N	36.5	Very low	36	Very low	149 Å²	149	126 Å²	126	80%	0.797	79%	0.787	S	S	*	*			trans	88.1	157.5	144.6	-83.8	6.9	0	0	0	120.3
480	P	45.1	Very low	36.3	Very low	103 Å²	103	126.4 Å²	126.4	67%	0.669	79%	0.791	S	S	*	*			cis	-147.4	-176.4	-46.4	41.1	-22.6	0	0	0	116.3
481	M	36.6	Very low	36.4	Very low	165 Å²	165	121.7 Å²	121.7	81%	0.813	79%	0.789	S	S	*	*			trans	87.1	137.7	141.2	-96.1	-172.4	168	0	0	124.9
482	T	36.7	Very low	36.6	Very low	123 Å²	123	119.9 Å²	119.9	76%	0.755	79%	0.79	S	S	*	*			trans	65.6	150.9	150	53.6	0	0	0	0	120.8
483	S	35.1	Very low	36.6	Very low	90 Å²	90	121.2 Å²	121.2	63%	0.629	80%	0.795	S	S	*	*			cis	-169.9	172.5	-24.4	61.9	0	0	0	0	111.5
484	N	37.2	Very low	36.7	Very low	153 Å²	153	123.3 Å²	123.3	82%	0.818	80%	0.797	S	S	*	*			trans	103.5	140.9	158.2	-55.2	-14.5	0	0	0	119.3
485	V	33.9	Very low	36.6	Very low	130 Å²	130	126.9 Å²	126.9	79%	0.788	80%	0.799	S	S	*	*			trans	-128	152.9	174.5	173.5	0	0	0	0	106.7
486	P	41.8	Very low	36.5	Very low	120 Å²	120	131.2 Å²	131.2	78%	0.779	80%	0.803	S	S	*	*			trans	-130.2	134.9	139.4	35.2	-25.7	0	0	0	112.2
487	A	32.6	Very low	36.4	Very low	96 Å²	96	135 Å²	135	79%	0.793	80%	0.8	S	S	*	*			trans	-99.3	145	163.8	0	0	0	0	0	109
488	V	40.3	Very low	36	Very low	144 Å²	144	134.1 Å²	134.1	87%	0.873	80%	0.797	S	S	*	*			trans	-128.7	129.5	170.9	179.5	0	0	0	0	108.6
489	S	35.9	Very low	35.9	Very low	121 Å²	121	134.2 Å²	134.2	85%	0.846	79%	0.793	S	S	*	*			trans	-92.7	154.7	-179.1	48.3	0	0	0	0	112
490	G	38.2	Very low	35.9	Very low	82 Å²	82	134.7 Å²	134.7	85%	0.845	80%	0.8	S	S	*	*			trans	-163.9	103.9	173.7	0	0	0	0	0	110.5
491	S	32.2	Very low	35.2	Very low	115 Å²	115	133 Å²	133	80%	0.804	80%	0.802	S	S	*	*			trans	-99.6	147.2	178.2	53.9	0	0	0	0	111.4
492	S	36.3	Very low	35	Very low	128 Å²	128	131.7 Å²	131.7	90%	0.895	80%	0.803	S	S	*	*			trans	-162.3	139.2	151.1	-85.1	0	0	0	0	110.4
493	T	32	Very low	34.9	Very low	126 Å²	126	134 Å²	134	77%	0.773	81%	0.805	S	S	*	*			trans	-92.9	151.7	-178.7	49.4	0	0	0	0	111.9
494	N	35.9	Very low	35	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	81%	0.808	S	S	*	*				-165.3	149.1	123.6	-99.4	-30	0	0	0	113
495	N	32.3	Very low	34.8	Very low	147 Å²	147	135 Å²	135	79%	0.786	81%	0.808	S	S	*	*			trans	-86.9	153.9	176.2	-61.8	-64.3	0	0	0	111.2
496	F	34.1	Very low	34.8	Very low	215 Å²	215	136.8 Å²	136.8	94%	0.943	81%	0.807	S	S	*	*			trans	-155.8	158.1	130.7	-121.3	-81.9	0	0	0	111
497	R	31.1	Very low	34.3	Very low	199 Å²	199	137 Å²	137	75%	0.751	81%	0.806	S	S	*	*			trans	-144.8	127.7	-160.8	173.2	-171.4	175.8	-158	-3.7	114	H499	R497-H499 PolarHBondContact NE-CD2 3.02Å; R497-H499 VanDerWaalsContact NE-CD2 3.3Å; R497-H499 PolarHBondContact NE-NE2 2.86Å; R497-H499 PolarHBondContact NH2-NE2 2.79Å
498	S	36.8	Very low	34.4	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	81%	0.812	S	S	*	*			trans	-175.8	113.2	155.7	47.9	0	0	0	0	108.3
499	H	34.4	Very low	34	Very low	143 Å²	143	138.5 Å²	138.5	66%	0.662	81%	0.806	S	S	*	*				57.7	101.5	62.3	-75.6	-65.4	0	0	0	116.2	R497	R497-H499 PolarHBondContact NE-CD2 3.02Å; R497-H499 VanDerWaalsContact NE-CD2 3.3Å; R497-H499 PolarHBondContact NE-NE2 2.86Å; R497-H499 PolarHBondContact NH2-NE2 2.79Å
500	V	34.6	Very low	34	Very low	158 Å²	158	138.9 Å²	138.9	96%	0.958	81%	0.806	S	S	*	*				-153.2	145.4	123.7	179	0	0	0	0	107.7
501	G	31.9	Very low	33.8	Very low	68 Å²	68	142.9 Å²	142.9	70%	0.701	81%	0.807	S	S	*	*			trans	169	123.8	167	0	0	0	0	0	114
502	V	32.3	Very low	33.7	Very low	137 Å²	137	141.8 Å²	141.8	83%	0.83	80%	0.799	S	S	*	*			trans	-154	152.3	177.2	-178.2	0	0	0	0	109.7
503	Q	34.9	Very low	33.6	Very low	172 Å²	172	142.7 Å²	142.7	80%	0.804	80%	0.8	S	S	*	*			trans	114.2	116	170.8	-65.6	-177.4	-16.1	0	0	112.9
504	T	36.2	Very low	33.6	Very low	114 Å²	114	140.7 Å²	140.7	70%	0.699	80%	0.795	S	S	*	*			cis	77.9	129.2	44.6	68.5	0	0	0	0	113.5
505	D	32.5	Very low	33.5	Very low	151 Å²	151	142 Å²	142	81%	0.807	80%	0.797	S	S	*	*			cis	-166.8	-168.6	-11.4	-145.1	-39.6	0	0	0	110.4
506	E	35.1	Very low	33.3	Very low	166 Å²	166	140.5 Å²	140.5	78%	0.776	80%	0.796	S	S	*	*			trans	77	93.4	159.6	-63	-159.2	145.7	0	0	122.1
507	T	29.8	Very low	33.3	Very low	124 Å²	124	137.8 Å²	137.8	76%	0.761	80%	0.797	S	S	*	*				42.7	120.8	125.2	59.6	0	0	0	0	123.6
508	V	34.9	Very low	33.3	Very low	150 Å²	150	136.4 Å²	136.4	91%	0.909	80%	0.799	S	S	*	*			trans	-141.6	139.9	135.6	-179.4	0	0	0	0	109.7
509	T	32	Very low	33.1	Very low	123 Å²	123	135.7 Å²	135.7	76%	0.755	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-96.3	145.9	-179.2	48	0	0	0	0	114.5
510	P	36.8	Very low	33.3	Very low	128 Å²	128	135.1 Å²	135.1	83%	0.831	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-91.8	129.5	155.3	33.6	-27.6	0	0	0	111.1
511	L	33.8	Very low	33.4	Very low	167 Å²	167	135.8 Å²	135.8	87%	0.874	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-97.5	153.5	-178.1	-171.4	63.8	0	0	0	112.5
512	S	30.6	Very low	33.3	Very low	91 Å²	91	137.9 Å²	137.9	64%	0.636	80%	0.801	S	S	*	*			trans	-40.7	137.6	175.9	-176.6	0	0	0	0	116.5
513	T	32.9	Very low	33.4	Very low	148 Å²	148	137.6 Å²	137.6	91%	0.908	80%	0.8	S	S	*	*				-134.9	116.3	129	47.4	0	0	0	0	109
514	A	32.2	Very low	33.3	Very low	83 Å²	83	136.7 Å²	136.7	69%	0.686	80%	0.801	S	S	*	*			trans	-133.3	121.5	171.1	0	0	0	0	0	109
515	E	33.7	Very low	33.1	Very low	187 Å²	187	139.2 Å²	139.2	87%	0.874	81%	0.808	S	S	*	*			trans	-169.6	111.4	160	-106.1	161.8	-160.2	0	0	105.3
516	C	29.9	Very low	33.2	Very low	115 Å²	115	137.3 Å²	137.3	78%	0.777	80%	0.802	S	S	*	*				82.8	89.1	81.2	-74.8	0	0	0	0	113.3
517	V	33.3	Very low	33.3	Very low	158 Å²	158	136 Å²	136	96%	0.958	81%	0.805	S	S	*	*			trans	-120.1	100.8	144.6	-180	0	0	0	0	106.5
518	E	31.7	Very low	33.6	Very low	171 Å²	171	136.3 Å²	136.3	80%	0.799	80%	0.802	S	S	*	*			trans	-103.5	162.1	178.9	-174.3	170.3	-148.3	0	0	110.4
519	S	32.7	Very low	33.9	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	80%	0.799	S	S	*	*			trans	72.6	104.2	170.8	75.9	0	0	0	0	117.8
520	S	37.9	Very low	34.3	Very low	130 Å²	130	138.1 Å²	138.1	91%	0.909	80%	0.796	S	S	*	*			trans	-140.4	138.3	131.6	-78	0	0	0	0	106.9
521	Q	35.9	Very low	34.1	Very low	173 Å²	173	139.5 Å²	139.5	81%	0.808	80%	0.796	S	S	*	*			trans	-97.3	149.5	-148.2	-68.8	178.2	-9.4	0	0	115.2
522	C	29.6	Very low	34.8	Very low	112 Å²	112	137.3 Å²	137.3	76%	0.757	79%	0.792	S	S	*	*			trans	43.6	120.7	143.9	-62.3	0	0	0	0	120.2
523	T	34.5	Very low	35.2	Very low	130 Å²	130	139.1 Å²	139.1	80%	0.798	80%	0.799	S	S	*	*				-158.9	151.3	109.6	8.8	0	0	0	0	112.6
524	N	33.9	Very low	35.4	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	79%	0.793	S	S	*	*			trans	62.4	67.6	159.4	-56.9	-12.6	0	0	0	118.7
525	I	32.7	Very low	35.9	Very low	167 Å²	167	142 Å²	142	86%	0.856	80%	0.801	S	S	*	*			trans	-70.5	120.6	139.4	-62.2	170.8	0	0	0	107.4
526	T	32.8	Very low	36	Very low	111 Å²	111	138.3 Å²	138.3	68%	0.681	79%	0.792	S	S	*	*			trans	-172.5	94.8	147.4	-72.3	0	0	0	0	108.7	L528	T526-L528 HydrophobicContact CG2-CD1 3.99Å; T526-L528 HydrophobicContact CG2-CG 3.75Å
527	T	38.8	Very low	36.6	Very low	138 Å²	138	139.4 Å²	139.4	85%	0.847	80%	0.795	S	S	*	*			trans	-104.4	87.4	165.9	-33.1	0	0	0	0	107.8	H529	T527-H529 PolarHBondContact O-N 3.27Å
528	L	34.7	Very low	36.7	Very low	131 Å²	131	136 Å²	136	69%	0.686	79%	0.792	S	S	*	*			trans	-64.9	114.4	176.7	-80.3	159.2	0	0	0	110	T526	T526-L528 HydrophobicContact CG2-CD1 3.99Å; T526-L528 HydrophobicContact CG2-CG 3.75Å
529	H	42.4	Very low	37.2	Very low	183 Å²	183	131 Å²	131	85%	0.847	79%	0.786	S	S	*	*			trans	-109.4	101.5	156.4	-114.7	76.1	0	0	0	108	T527 N531	T527-H529 PolarHBondContact O-N 3.27Å; H529-N531 PolarHBondContact O-N 3.26Å
530	N	39.8	Very low	37.6	Very low	128 Å²	128	133.3 Å²	133.3	68%	0.684	80%	0.799	S	S	*	*			trans	-74.9	121.2	-179.1	-69.8	-25.7	0	0	0	110	P532	N530-P532 VanDerWaalsContact O-CD 3.25Å; N530-P532 WeakPolarHBondContact O-CD 3.45Å
531	N	33.3	Very low	37.9	Very low	158 Å²	158	131.4 Å²	131.4	85%	0.845	79%	0.791	S	S	*	*			trans	-86	111.5	160.4	-85.5	-25.3	0	0	0	109	H529	H529-N531 PolarHBondContact O-N 3.26Å
532	P	47	Very low	38.2	Very low	121 Å²	121	128.2 Å²	128.2	79%	0.786	79%	0.788	S	S	*	*			trans	-79.5	124.5	166	31.5	-31.5	0	0	0	110	N530	N530-P532 VanDerWaalsContact O-CD 3.25Å; N530-P532 WeakPolarHBondContact O-CD 3.45Å
533	T	40.4	Very low	39.1	Very low	128 Å²	128	128.2 Å²	128.2	79%	0.785	79%	0.789	S	S	*	*			trans	-73.8	131.5	-174.4	-51.2	0	0	0	0	113
534	L	37.3	Very low	40.4	Very low	149 Å²	149	127 Å²	127	78%	0.78	78%	0.782	S	S	*	*			trans	7.4	113.6	152.1	-157.2	82.9	0	0	0	118.1
535	V	41.9	Very low	41.5	Very low	142 Å²	142	125 Å²	125	86%	0.861	78%	0.777	S	S	*	*			trans	-133.1	134.6	153	-178.6	0	0	0	0	108.6
536	T	36.7	Very low	42.7	Very low	110 Å²	110	121.9 Å²	121.9	68%	0.675	76%	0.761	S	S	*	*			trans	-109.3	120	-168	-56.1	0	0	0	0	112.8
537	T	41.8	Very low	44.6	Very low	138 Å²	138	120 Å²	120	85%	0.847	75%	0.749	S	S	*	*			trans	-153.5	119.1	155.1	36	0	0	0	0	113.3
538	G	35.6	Very low	46.6	Very low	87 Å²	87	117 Å²	117	90%	0.897	74%	0.739	S	S	*	*			trans	35.3	109	149.2	0	0	0	0	0	122.2
539	G	41.3	Very low	48.9	Very low	65 Å²	65	115 Å²	115	67%	0.67	73%	0.732	S	S	*	*			trans	-177.1	112.2	159.2	0	0	0	0	0	113.1	A541	G539-A541 VanDerWaalsContact C-N 3.32Å; G539-A541 PolarHBondContact O-N 2.84Å
540	P	41.8	Very low	51	Low	145 Å²	145	110 Å²	110	94%	0.942	71%	0.709	S	S	*	*			trans	-81	74.5	-178.9	33	-34.7	0	0	0	111.6
541	A	43.1	Very low	53.3	Low	90 Å²	90	107.3 Å²	107.3	74%	0.744	70%	0.701	S	S	*	*			trans	-101.7	96.3	-179.5	0	0	0	0	0	111.9	G539 S543	G539-A541 VanDerWaalsContact C-N 3.32Å; G539-A541 PolarHBondContact O-N 2.84Å; A541-S543 PolarHBondContact O-N 2.66Å
542	S	42.6	Very low	56	Low	106 Å²	106	105.1 Å²	105.1	74%	0.741	69%	0.688	S	S	*	*			trans	-8.7	80.5	165.8	179.9	0	0	0	0	117.3	V544	S542-V544 VanDerWaalsContact C-N 3.33Å; S542-V544 PolarHBondContact O-N 3.4Å
543	S	49.8	Very low	58.1	Low	113 Å²	113	104.9 Å²	104.9	79%	0.79	68%	0.677	S	S	*	*			trans	-78.5	83.7	167.9	56.9	0	0	0	0	109.7	A541	A541-S543 PolarHBondContact O-N 2.66Å
544	V	60.2	Low	60.6	Low	105 Å²	105	106.3 Å²	106.3	64%	0.636	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-57.8	126.1	167.7	-176.9	0	0	0	0	107.6	S542 L546	S542-V544 VanDerWaalsContact C-N 3.33Å; S542-V544 PolarHBondContact O-N 3.4Å; V544-L546 PolarHBondContact O-N 3.18Å
545	P	58.4	Low	63.2	Low	109 Å²	109	106.9 Å²	106.9	71%	0.708	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-65.2	119.9	175.7	26.8	-32.6	0	0	0	108.3	T547	P545-T547 PolarHBondContact O-N 2.95Å; P545-T547 VanDerWaalsContact O-N 3.09Å
546	L	56.5	Low	65.7	Low	103 Å²	103	104.6 Å²	104.6	54%	0.539	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-49.6	121.1	175.5	-76.3	167.3	0	0	0	108.7	V544 E550	V544-L546 PolarHBondContact O-N 3.18Å; L546-E550 HydrophobicContact CB-CB 4.48Å; L546-E550 HydrophobicContact CD2-CB 3.84Å; L546-E550 HydrophobicContact CD2-CG 4.45Å
547	T	72.6	Confident	68.4	Low	70 Å²	70	101.8 Å²	101.8	43%	0.429	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-60.8	155.3	177.4	61.4	0	0	0	0	109.5	P545 V549 E550 S551	P545-T547 PolarHBondContact O-N 2.95Å; P545-T547 VanDerWaalsContact O-N 3.09Å; T547-V549 PolarHBondContact O-N 3.43Å; T547-E550 VanDerWaalsContact CB-OE2 3.31Å; T547-E550 WeakPolarHBondContact CB-OE2 3.42Å; T547-E550 WeakPolarHBondContact CG2-OE2 3.4Å; T547-E550 PolarHBondContact N-OE2 2.93Å; T547-E550 PolarHBondContact O-N 3.42Å; T547-E550 WeakPolarHBondContact OG1-CG 3.42Å; T547-E550 PolarHBondContact OG1-N 3.39Å; T547-E550 PolarHBondContact OG1-OE2 3.27Å; T547-S551 PolarHBondContact O-N 3.48Å
548	A	80.7	Confident	70.9	Confident	77 Å²	77	99.3 Å²	99.3	64%	0.636	61%	0.611	S	S	*	*	H	α-helix	trans	-54.4	-29.7	174.1	0	0	0	0	0	111.8	L552	A548-L552 WeakPolarHBondContact O-CB 3.47Å; A548-L552 WeakPolarHBondContact O-CD1 3.41Å; A548-L552 WeakPolarHBondContact O-CG 3.18Å; A548-L552 PolarHBondContact O-N 3.4Å
549	V	84.8	Confident	73.7	Confident	88 Å²	88	99 Å²	99	53%	0.533	59%	0.588	S	S	.	*	H	α-helix	trans	-64.2	-51.3	173.8	-178.2	0	0	0	0	111.6	T547 S551 L552 Q553	T547-V549 PolarHBondContact O-N 3.43Å; V549-S551 VanDerWaalsContact C-N 3.33Å; V549-S551 PolarHBondContact O-N 2.68Å; V549-L552 PolarHBondContact O-N 3.45Å; V549-Q553 HydrophobicContact CG1-CG 4.41Å; V549-Q553 WeakPolarHBondContact O-CB 3.4Å; V549-Q553 VanDerWaalsContact O-CG 3.3Å; V549-Q553 WeakPolarHBondContact O-CG 3.37Å; V549-Q553 PolarHBondContact O-N 2.78Å
550	E	86	Confident	76.3	Confident	77 Å²	77	101.8 Å²	101.8	36%	0.36	58%	0.584	S	S	.	*	H	α-helix	trans	-65.9	-35.7	180	-68	158.7	108.7	0	0	112.3	L546 T547 Q553 R554	L546-E550 HydrophobicContact CB-CB 4.48Å; L546-E550 HydrophobicContact CD2-CB 3.84Å; L546-E550 HydrophobicContact CD2-CG 4.45Å; T547-E550 VanDerWaalsContact CB-OE2 3.31Å; T547-E550 WeakPolarHBondContact CB-OE2 3.42Å; T547-E550 WeakPolarHBondContact CG2-OE2 3.4Å; T547-E550 PolarHBondContact N-OE2 2.93Å; T547-E550 PolarHBondContact O-N 3.42Å; T547-E550 WeakPolarHBondContact OG1-CG 3.42Å; T547-E550 PolarHBondContact OG1-N 3.39Å; T547-E550 PolarHBondContact OG1-OE2 3.27Å; E550-Q553 PolarHBondContact O-N 3.25Å; E550-R554 PolarHBondContact O-N 2.95Å
551	S	87.1	Confident	78.8	Confident	73 Å²	73	101.2 Å²	101.2	51%	0.51	57%	0.568	S	S	.	*	H	α-helix	trans	-65.2	-40.3	173.7	-176	0	0	0	0	112.1	T547 V549 R555	T547-S551 PolarHBondContact O-N 3.48Å; V549-S551 VanDerWaalsContact C-N 3.33Å; V549-S551 PolarHBondContact O-N 2.68Å; S551-R555 WeakPolarHBondContact O-CB 3.45Å; S551-R555 PolarHBondContact O-N 3.02Å; S551-R555 VanDerWaalsContact O-N 3.09Å
552	L	90	Very high	81.3	Confident	111 Å²	111	101.5 Å²	101.5	58%	0.581	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-39.1	173.7	-73.7	168.3	0	0	0	112.1	A548 V549 R555 I556	A548-L552 WeakPolarHBondContact O-CB 3.47Å; A548-L552 WeakPolarHBondContact O-CD1 3.41Å; A548-L552 WeakPolarHBondContact O-CG 3.18Å; A548-L552 PolarHBondContact O-N 3.4Å; V549-L552 PolarHBondContact O-N 3.45Å; L552-R555 PolarHBondContact O-N 3.33Å; L552-I556 VanDerWaalsContact O-CG1 3.29Å; L552-I556 WeakPolarHBondContact O-CG1 3.18Å; L552-I556 PolarHBondContact O-N 2.58Å
553	Q	92.3	Very high	83.8	Confident	116 Å²	116	99.1 Å²	99.1	54%	0.542	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-44.9	175.8	-76.4	170.6	-19.4	0	0	111.9	V549 E550 I556 A557	V549-Q553 HydrophobicContact CG1-CG 4.41Å; V549-Q553 WeakPolarHBondContact O-CB 3.4Å; V549-Q553 VanDerWaalsContact O-CG 3.3Å; V549-Q553 WeakPolarHBondContact O-CG 3.37Å; V549-Q553 PolarHBondContact O-N 2.78Å; E550-Q553 PolarHBondContact O-N 3.25Å; Q553-I556 PolarHBondContact O-N 2.85Å; Q553-A557 PolarHBondContact O-N 3.39Å
554	R	91.8	Very high	86	Confident	159 Å²	159	97.1 Å²	97.1	60%	0.6	52%	0.518	S	S	*	.	H	α-helix	trans	-59.3	-47.1	171.8	176.8	172.1	-77.5	147	-2.9	110.9	E550 I556 A557 D558	E550-R554 PolarHBondContact O-N 2.95Å; R554-I556 VanDerWaalsContact C-N 3.28Å; R554-I556 PolarHBondContact O-N 3.48Å; R554-A557 PolarHBondContact O-N 3.06Å; R554-A557 VanDerWaalsContact O-N 3.14Å; R554-D558 PolarHBondContact O-N 3.28Å
555	R	92.3	Very high	87.7	Confident	161 Å²	161	95.4 Å²	95.4	61%	0.608	51%	0.508	S	S	*	.	H	α-helix	trans	-62	-32.9	179.5	-171.6	60.9	174.9	-150.2	2.2	113.2	S551 L552 L559	S551-R555 WeakPolarHBondContact O-CB 3.45Å; S551-R555 PolarHBondContact O-N 3.02Å; S551-R555 VanDerWaalsContact O-N 3.09Å; L552-R555 PolarHBondContact O-N 3.33Å; R555-L559 HydrophobicContact CG-CD1 4.35Å; R555-L559 WeakPolarHBondContact O-CB 3.5Å; R555-L559 WeakPolarHBondContact O-CD1 3.39Å; R555-L559 VanDerWaalsContact O-CG 3.26Å; R555-L559 WeakPolarHBondContact O-CG 3.19Å; R555-L559 PolarHBondContact O-N 3.43Å; R555-L559 VanDerWaalsContact O-N 3.17Å
556	I	93.4	Very high	89.4	Confident	93 Å²	93	95 Å²	95	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-67.1	-50.2	172.7	-71.2	162.4	0	0	0	109.9	L552 Q553 R554 D558 L559 E560	L552-I556 VanDerWaalsContact O-CG1 3.29Å; L552-I556 WeakPolarHBondContact O-CG1 3.18Å; L552-I556 PolarHBondContact O-N 2.58Å; Q553-I556 PolarHBondContact O-N 2.85Å; R554-I556 VanDerWaalsContact C-N 3.28Å; R554-I556 PolarHBondContact O-N 3.48Å; I556-D558 VanDerWaalsContact C-N 3.31Å; I556-D558 PolarHBondContact O-N 3.33Å; I556-L559 PolarHBondContact O-N 3.38Å; I556-L559 VanDerWaalsContact O-N 3.11Å; I556-E560 HydrophobicContact CG2-CG 4.26Å; I556-E560 WeakPolarHBondContact O-CG 3.49Å; I556-E560 PolarHBondContact O-N 2.95Å
557	A	94.2	Very high	91.3	Very high	51 Å²	51	98 Å²	98	42%	0.421	50%	0.501	S	S	.	.	H	α-helix	trans	-60.1	-38.8	177.9	0	0	0	0	0	112.7	Q553 R554 E560 H561	Q553-A557 PolarHBondContact O-N 3.39Å; R554-A557 PolarHBondContact O-N 3.06Å; R554-A557 VanDerWaalsContact O-N 3.14Å; A557-E560 PolarHBondContact O-N 3.33Å; A557-H561 WeakPolarHBondContact O-CB 3.26Å; A557-H561 PolarHBondContact O-N 2.97Å
558	D	94.6	Very high	92.4	Very high	86 Å²	86	99.4 Å²	99.4	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-44.8	174.1	-62.2	-30.8	0	0	0	111.3	R554 I556 E562	R554-D558 PolarHBondContact O-N 3.28Å; I556-D558 VanDerWaalsContact C-N 3.31Å; I556-D558 PolarHBondContact O-N 3.33Å; D558-E562 WeakPolarHBondContact O-CB 3.47Å; D558-E562 PolarHBondContact O-N 2.88Å
559	L	94.8	Very high	93.1	Very high	80 Å²	80	99.1 Å²	99.1	42%	0.419	49%	0.492	S	S	.	.	H	α-helix	trans	-72.7	-32.9	179	-73.6	169.3	0	0	0	113.2	R555 I556 T563	R555-L559 HydrophobicContact CG-CD1 4.35Å; R555-L559 WeakPolarHBondContact O-CB 3.5Å; R555-L559 WeakPolarHBondContact O-CD1 3.39Å; R555-L559 VanDerWaalsContact O-CG 3.26Å; R555-L559 WeakPolarHBondContact O-CG 3.19Å; R555-L559 PolarHBondContact O-N 3.43Å; R555-L559 VanDerWaalsContact O-N 3.17Å; I556-L559 PolarHBondContact O-N 3.38Å; I556-L559 VanDerWaalsContact O-N 3.11Å; L559-T563 VanDerWaalsContact O-CB 3.29Å; L559-T563 WeakPolarHBondContact O-CB 3.37Å; L559-T563 PolarHBondContact O-N 3.02Å; L559-T563 PolarHBondContact O-OG1 3.45Å
560	E	95.6	Very high	93.7	Very high	124 Å²	124	98.2 Å²	98.2	58%	0.579	48%	0.484	S	S	*	.	H	α-helix	trans	-65.4	-45.9	172.3	-74.5	177.4	156.9	0	0	110.4	I556 A557 T563 V564	I556-E560 HydrophobicContact CG2-CG 4.26Å; I556-E560 WeakPolarHBondContact O-CG 3.49Å; I556-E560 PolarHBondContact O-N 2.95Å; A557-E560 PolarHBondContact O-N 3.33Å; E560-T563 WeakPolarHBondContact O-CB 3.45Å; E560-T563 PolarHBondContact O-N 2.9Å; E560-V564 WeakPolarHBondContact O-CG2 3.36Å; E560-V564 PolarHBondContact O-N 2.63Å
561	H	94.6	Very high	94.1	Very high	133 Å²	133	97.8 Å²	97.8	62%	0.616	49%	0.487	S	S	*	.	H	α-helix	trans	-61.4	-46.1	173.3	177.6	-90.6	0	0	0	111.9	A557 T563 V564 V565	A557-H561 WeakPolarHBondContact O-CB 3.26Å; A557-H561 PolarHBondContact O-N 2.97Å; H561-T563 VanDerWaalsContact C-N 3.31Å; H561-T563 PolarHBondContact O-N 2.7Å; H561-V564 PolarHBondContact O-N 3.06Å; H561-V564 VanDerWaalsContact O-N 3.17Å; H561-V565 WeakPolarHBondContact O-CG2 3.4Å; H561-V565 PolarHBondContact O-N 2.65Å
562	E	95.1	Very high	94.5	Very high	96 Å²	96	99.5 Å²	99.5	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-58.7	-43.4	174.9	-164.7	-170.1	157.3	0	0	111.4	D558 V564 V565 Q566	D558-E562 WeakPolarHBondContact O-CB 3.47Å; D558-E562 PolarHBondContact O-N 2.88Å; E562-V564 VanDerWaalsContact C-N 3.3Å; E562-V564 PolarHBondContact O-N 3.07Å; E562-V565 PolarHBondContact O-N 2.91Å; E562-Q566 HydrophobicContact CG-CG 4.41Å; E562-Q566 WeakPolarHBondContact O-CB 3.38Å; E562-Q566 WeakPolarHBondContact O-CG 3.38Å; E562-Q566 PolarHBondContact O-N 2.68Å; E562-Q566 PolarHBondContact OE1-NE2 3.5Å
563	T	94.9	Very high	94.8	Very high	56 Å²	56	99.4 Å²	99.4	34%	0.344	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-36.7	177.2	-60.9	0	0	0	0	112.1	L559 E560 H561 R567	L559-T563 VanDerWaalsContact O-CB 3.29Å; L559-T563 WeakPolarHBondContact O-CB 3.37Å; L559-T563 PolarHBondContact O-N 3.02Å; L559-T563 PolarHBondContact O-OG1 3.45Å; E560-T563 WeakPolarHBondContact O-CB 3.45Å; E560-T563 PolarHBondContact O-N 2.9Å; H561-T563 VanDerWaalsContact C-N 3.31Å; H561-T563 PolarHBondContact O-N 2.7Å; T563-R567 WeakPolarHBondContact O-CB 3.49Å; T563-R567 WeakPolarHBondContact O-CG 3.28Å; T563-R567 PolarHBondContact O-N 2.65Å
564	V	96.3	Very high	94.9	Very high	72 Å²	72	99.2 Å²	99.2	44%	0.436	48%	0.483	S	S	.	.	H	α-helix	trans	-66.7	-47.7	173.9	171.3	0	0	0	0	111	E560 H561 E562 Q566 R567 E568	E560-V564 WeakPolarHBondContact O-CG2 3.36Å; E560-V564 PolarHBondContact O-N 2.63Å; H561-V564 PolarHBondContact O-N 3.06Å; H561-V564 VanDerWaalsContact O-N 3.17Å; E562-V564 VanDerWaalsContact C-N 3.3Å; E562-V564 PolarHBondContact O-N 3.07Å; V564-Q566 PolarHBondContact O-N 2.93Å; V564-R567 WeakPolarHBondContact O-CB 3.34Å; V564-R567 PolarHBondContact O-N 3.1Å; V564-E568 PolarHBondContact O-N 3.24Å
565	V	95.6	Very high	95	Very high	68 Å²	68	95 Å²	95	41%	0.412	47%	0.473	S	S	.	.	H	α-helix	trans	-62.9	-39.9	178.6	174.4	0	0	0	0	112	H561 E562 T569	H561-V565 WeakPolarHBondContact O-CG2 3.4Å; H561-V565 PolarHBondContact O-N 2.65Å; E562-V565 PolarHBondContact O-N 2.91Å; V565-T569 WeakPolarHBondContact O-CB 3.03Å; V565-T569 PolarHBondContact O-N 2.68Å; V565-T569 PolarHBondContact O-OG1 3.38Å
566	Q	94.8	Very high	95.1	Very high	101 Å²	101	91 Å²	91	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-43.6	173.4	-72.1	-175.4	17.7	0	0	111.7	E562 V564 T569 I570	E562-Q566 HydrophobicContact CG-CG 4.41Å; E562-Q566 WeakPolarHBondContact O-CB 3.38Å; E562-Q566 WeakPolarHBondContact O-CG 3.38Å; E562-Q566 PolarHBondContact O-N 2.68Å; E562-Q566 PolarHBondContact OE1-NE2 3.5Å; V564-Q566 PolarHBondContact O-N 2.93Å; Q566-T569 PolarHBondContact O-N 3.36Å; Q566-I570 WeakPolarHBondContact O-CG1 3.43Å; Q566-I570 PolarHBondContact O-N 2.86Å
567	R	95.8	Very high	95	Very high	167 Å²	167	88.6 Å²	88.6	63%	0.63	46%	0.458	S	S	*	.	H	α-helix	trans	-60.8	-48.2	175.4	-75.8	170.2	-173.9	177.9	5.9	112	T563 V564 T569 I570 T571	T563-R567 WeakPolarHBondContact O-CB 3.49Å; T563-R567 WeakPolarHBondContact O-CG 3.28Å; T563-R567 PolarHBondContact O-N 2.65Å; V564-R567 WeakPolarHBondContact O-CB 3.34Å; V564-R567 PolarHBondContact O-N 3.1Å; R567-T569 PolarHBondContact O-N 3.36Å; R567-I570 PolarHBondContact O-N 3.19Å; R567-T571 PolarHBondContact O-N 2.86Å; R567-T571 PolarHBondContact O-OG1 2.93Å
568	E	96.1	Very high	94.9	Very high	99 Å²	99	90.3 Å²	90.3	46%	0.463	46%	0.459	S	S	.	.	H	α-helix	trans	-56.5	-40	175.3	-80.1	-166.6	-152.8	0	0	112.5	V564 T571 K572	V564-E568 PolarHBondContact O-N 3.24Å; E568-T571 PolarHBondContact O-N 3.19Å; E568-K572 WeakPolarHBondContact O-CB 3.44Å; E568-K572 WeakPolarHBondContact O-CD 3.38Å; E568-K572 WeakPolarHBondContact O-CG 3.21Å; E568-K572 PolarHBondContact O-N 3.08Å; E568-K572 IonicContact OE2-NZ 2.67Å; E568-K572 PolarHBondContact OE2-NZ 3.08Å
569	T	95.8	Very high	94.9	Very high	70 Å²	70	93.3 Å²	93.3	43%	0.429	46%	0.464	S	S	.	.	H	α-helix	trans	-67.4	-41.4	179.6	-58.7	0	0	0	0	110.9	V565 Q566 R567 K572 L573	V565-T569 WeakPolarHBondContact O-CB 3.03Å; V565-T569 PolarHBondContact O-N 2.68Å; V565-T569 PolarHBondContact O-OG1 3.38Å; Q566-T569 PolarHBondContact O-N 3.36Å; R567-T569 PolarHBondContact O-N 3.36Å; T569-K572 PolarHBondContact O-N 3.45Å; T569-L573 HydrophobicContact CG2-CD1 4.27Å; T569-L573 VanDerWaalsContact O-CG 3.3Å; T569-L573 WeakPolarHBondContact O-CG 3.34Å; T569-L573 PolarHBondContact O-N 3.1Å
570	I	95.9	Very high	94.9	Very high	69 Å²	69	92.7 Å²	92.7	35%	0.354	47%	0.466	S	S	.	.	H	α-helix	trans	-61.7	-45.6	173.7	-69.5	165.2	0	0	0	110.8	M1 Q566 R567 L573 Q574	M1-I570 HydrophobicContact CE-CD1 4.28Å; Q566-I570 WeakPolarHBondContact O-CG1 3.43Å; Q566-I570 PolarHBondContact O-N 2.86Å; R567-I570 PolarHBondContact O-N 3.19Å; I570-L573 PolarHBondContact O-N 3.32Å; I570-Q574 HydrophobicContact CG2-CG 4.43Å; I570-Q574 WeakPolarHBondContact O-CG 3.29Å; I570-Q574 PolarHBondContact O-N 3.17Å
571	T	95.7	Very high	94.8	Very high	68 Å²	68	91.8 Å²	91.8	42%	0.417	46%	0.458	S	S	.	.	H	α-helix	trans	-59.6	-48.5	176	-52.9	0	0	0	0	111.3	R567 E568 L573 Q574 D575	R567-T571 PolarHBondContact O-N 2.86Å; R567-T571 PolarHBondContact O-OG1 2.93Å; E568-T571 PolarHBondContact O-N 3.19Å; T571-L573 VanDerWaalsContact C-N 3.27Å; T571-L573 PolarHBondContact O-N 3.32Å; T571-Q574 WeakPolarHBondContact O-CB 3.26Å; T571-Q574 PolarHBondContact O-N 3.04Å; T571-D575 PolarHBondContact O-N 3.14Å
572	K	95.6	Very high	94.8	Very high	110 Å²	110	89.4 Å²	89.4	48%	0.478	45%	0.446	S	S	.	.	H	α-helix	trans	-59	-36.9	178	-69.8	160.1	-167	166	0	112.2	E568 T569 N576	E568-K572 WeakPolarHBondContact O-CB 3.44Å; E568-K572 WeakPolarHBondContact O-CD 3.38Å; E568-K572 WeakPolarHBondContact O-CG 3.21Å; E568-K572 PolarHBondContact O-N 3.08Å; E568-K572 IonicContact OE2-NZ 2.67Å; E568-K572 PolarHBondContact OE2-NZ 3.08Å; T569-K572 PolarHBondContact O-N 3.45Å; K572-N576 WeakPolarHBondContact O-CB 3.36Å; K572-N576 PolarHBondContact O-N 3.05Å; K572-N576 VanDerWaalsContact O-N 3.08Å; K572-N576 PolarHBondContact O-ND2 2.9Å
573	L	94.8	Very high	94.8	Very high	109 Å²	109	90.3 Å²	90.3	57%	0.571	45%	0.452	S	S	*	.	H	α-helix	trans	-70.9	-38	174.2	-71.2	170.7	0	0	0	112.6	T569 I570 T571 N576 A577	T569-L573 HydrophobicContact CG2-CD1 4.27Å; T569-L573 VanDerWaalsContact O-CG 3.3Å; T569-L573 WeakPolarHBondContact O-CG 3.34Å; T569-L573 PolarHBondContact O-N 3.1Å; I570-L573 PolarHBondContact O-N 3.32Å; T571-L573 VanDerWaalsContact C-N 3.27Å; T571-L573 PolarHBondContact O-N 3.32Å; L573-N576 PolarHBondContact O-N 2.96Å; L573-A577 WeakPolarHBondContact O-CB 3.33Å; L573-A577 PolarHBondContact O-N 3.49Å
574	Q	94.4	Very high	94.8	Very high	111 Å²	111	90.3 Å²	90.3	52%	0.519	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-45.4	174	-72.7	171.1	-21.6	0	0	111.5	I570 T571 N576 A577 I578	I570-Q574 HydrophobicContact CG2-CG 4.43Å; I570-Q574 WeakPolarHBondContact O-CG 3.29Å; I570-Q574 PolarHBondContact O-N 3.17Å; T571-Q574 WeakPolarHBondContact O-CB 3.26Å; T571-Q574 PolarHBondContact O-N 3.04Å; Q574-N576 VanDerWaalsContact C-N 3.31Å; Q574-N576 PolarHBondContact O-N 2.9Å; Q574-A577 PolarHBondContact O-N 3.22Å; Q574-I578 VanDerWaalsContact O-CG1 3.29Å; Q574-I578 WeakPolarHBondContact O-CG1 3.09Å; Q574-I578 PolarHBondContact O-N 2.66Å
575	D	95.1	Very high	94.8	Very high	71 Å²	71	89.8 Å²	89.8	38%	0.38	44%	0.44	S	S	.	.	H	α-helix	trans	-62.8	-37	176.6	-66.3	-28.2	0	0	0	112.4	T571 R579	T571-D575 PolarHBondContact O-N 3.14Å; D575-R579 PolarHBondContact O-N 2.95Å; D575-R579 PolarHBondContact O-NE 2.83Å; D575-R579 PolarHBondContact O-NH2 2.96Å
576	N	94.6	Very high	94.9	Very high	76 Å²	76	92.6 Å²	92.6	41%	0.406	45%	0.448	S	S	.	.	H	α-helix	trans	-66.3	-47.5	172.8	-74.8	-14.6	0	0	0	110.4	K572 L573 Q574 I578 R579 S580	K572-N576 WeakPolarHBondContact O-CB 3.36Å; K572-N576 PolarHBondContact O-N 3.05Å; K572-N576 VanDerWaalsContact O-N 3.08Å; K572-N576 PolarHBondContact O-ND2 2.9Å; L573-N576 PolarHBondContact O-N 2.96Å; Q574-N576 VanDerWaalsContact C-N 3.31Å; Q574-N576 PolarHBondContact O-N 2.9Å; N576-I578 VanDerWaalsContact C-N 3.34Å; N576-I578 PolarHBondContact O-N 3.12Å; N576-R579 PolarHBondContact O-N 2.72Å; N576-R579 PolarHBondContact OD1-NH1 2.98Å; N576-R579 PolarHBondContact OD1-NH2 3.34Å; N576-S580 PolarHBondContact O-N 2.89Å; N576-S580 PolarHBondContact O-OG 3.5Å
577	A	91.3	Very high	95	Very high	44 Å²	44	92.1 Å²	92.1	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-37.2	179.4	0	0	0	0	0	112.9	L573 Q574 S580 R581	L573-A577 WeakPolarHBondContact O-CB 3.33Å; L573-A577 PolarHBondContact O-N 3.49Å; Q574-A577 PolarHBondContact O-N 3.22Å; A577-S580 PolarHBondContact O-N 3.14Å; A577-R581 WeakPolarHBondContact O-CG 3.35Å; A577-R581 PolarHBondContact O-N 3.35Å
578	I	92.7	Very high	95.1	Very high	87 Å²	87	84.9 Å²	84.9	45%	0.446	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-50.9	172.9	-70.2	161	0	0	0	110.2	Q574 N576 S580 R581 E582	Q574-I578 VanDerWaalsContact O-CG1 3.29Å; Q574-I578 WeakPolarHBondContact O-CG1 3.09Å; Q574-I578 PolarHBondContact O-N 2.66Å; N576-I578 VanDerWaalsContact C-N 3.34Å; N576-I578 PolarHBondContact O-N 3.12Å; I578-S580 PolarHBondContact O-N 3.35Å; I578-R581 PolarHBondContact O-N 3.16Å; I578-E582 PolarHBondContact O-N 3.48Å; I578-E582 VanDerWaalsContact O-N 3.11Å
579	R	94.4	Very high	95.2	Very high	149 Å²	149	82.2 Å²	82.2	56%	0.562	41%	0.411	S	S	*	.	H	α-helix	trans	-61.7	-40.1	178.2	-79.2	174.7	-79.6	142.3	-3.4	112.6	D575 N576 E582 M583	D575-R579 PolarHBondContact O-N 2.95Å; D575-R579 PolarHBondContact O-NE 2.83Å; D575-R579 PolarHBondContact O-NH2 2.96Å; N576-R579 PolarHBondContact O-N 2.72Å; N576-R579 PolarHBondContact OD1-NH1 2.98Å; N576-R579 PolarHBondContact OD1-NH2 3.34Å; R579-E582 PolarHBondContact O-N 3.41Å; R579-M583 WeakPolarHBondContact O-CB 3.4Å; R579-M583 PolarHBondContact O-N 2.9Å
580	S	93.6	Very high	95.3	Very high	66 Å²	66	84.3 Å²	84.3	46%	0.462	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-39.9	174.8	-63.7	0	0	0	0	112.7	N576 A577 I578 I584	N576-S580 PolarHBondContact O-N 2.89Å; N576-S580 PolarHBondContact O-OG 3.5Å; A577-S580 PolarHBondContact O-N 3.14Å; I578-S580 PolarHBondContact O-N 3.35Å; S580-I584 WeakPolarHBondContact O-CB 3.37Å; S580-I584 WeakPolarHBondContact O-CD1 3.41Å; S580-I584 WeakPolarHBondContact O-CG1 3.07Å; S580-I584 PolarHBondContact O-N 3.06Å
581	R	93.7	Very high	95.4	Very high	106 Å²	106	84.7 Å²	84.7	40%	0.4	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-41.2	176.2	-74.4	-169.4	-51	-118.8	4	112.5	A577 I578 I584 R585 L762	A577-R581 WeakPolarHBondContact O-CG 3.35Å; A577-R581 PolarHBondContact O-N 3.35Å; I578-R581 PolarHBondContact O-N 3.16Å; R581-I584 PolarHBondContact O-N 3.3Å; R581-R585 WeakPolarHBondContact O-CB 3.47Å; R581-R585 PolarHBondContact O-N 3.49Å; R581-L762 WeakPolarHBondContact CD-O 3.45Å
582	E	94.6	Very high	95.4	Very high	82 Å²	82	81.5 Å²	81.5	38%	0.383	40%	0.395	S	S	.	.	H	α-helix	trans	-70.6	-39.3	179.8	-153.9	64.1	-168.2	0	0	111.5	I578 R579 I584 R585 E586	I578-E582 PolarHBondContact O-N 3.48Å; I578-E582 VanDerWaalsContact O-N 3.11Å; R579-E582 PolarHBondContact O-N 3.41Å; E582-I584 PolarHBondContact O-N 2.71Å; E582-R585 WeakPolarHBondContact O-CB 3.44Å; E582-R585 PolarHBondContact O-N 3.13Å; E582-R585 VanDerWaalsContact O-N 3.14Å; E582-R585 WeakPolarHBondContact OE1-CD 3.48Å; E582-R585 IonicContact OE1-CZ 3.25Å; E582-R585 IonicContact OE1-NE 3Å; E582-R585 IonicContact OE1-NH1 2.67Å; E582-R585 PolarHBondContact OE1-NH1 3.37Å; E582-R585 IonicContact OE2-NH1 2.63Å; E582-E586 WeakPolarHBondContact O-CG 3.26Å; E582-E586 PolarHBondContact O-N 2.76Å
583	M	95.3	Very high	95.5	Very high	116 Å²	116	80.6 Å²	80.6	57%	0.571	40%	0.395	S	S	*	.	H	α-helix	trans	-59.5	-42.9	170.5	179.2	-175.7	171.1	0	0	112.3	R579 R585 E586 L587	R579-M583 WeakPolarHBondContact O-CB 3.4Å; R579-M583 PolarHBondContact O-N 2.9Å; M583-R585 VanDerWaalsContact C-N 3.32Å; M583-R585 PolarHBondContact O-N 2.97Å; M583-E586 PolarHBondContact O-N 3.36Å; M583-L587 HydrophobicContact CE-CD1 3.91Å; M583-L587 HydrophobicContact CG-CD1 4.04Å; M583-L587 WeakPolarHBondContact O-CB 3.44Å; M583-L587 VanDerWaalsContact O-CG 3.3Å; M583-L587 WeakPolarHBondContact O-CG 3.47Å; M583-L587 PolarHBondContact O-N 3.17Å; M583-L587 VanDerWaalsContact O-N 3.11Å
584	I	95.5	Very high	95.6	Very high	55 Å²	55	79.8 Å²	79.8	28%	0.282	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-41.8	174.7	-73.4	165.2	0	0	0	110.6	S580 R581 E582 L588 F760 L762	S580-I584 WeakPolarHBondContact O-CB 3.37Å; S580-I584 WeakPolarHBondContact O-CD1 3.41Å; S580-I584 WeakPolarHBondContact O-CG1 3.07Å; S580-I584 PolarHBondContact O-N 3.06Å; R581-I584 PolarHBondContact O-N 3.3Å; E582-I584 PolarHBondContact O-N 2.71Å; I584-L588 HydrophobicContact CG2-CD1 3.68Å; I584-L588 HydrophobicContact CG2-CG 4.32Å; I584-L588 WeakPolarHBondContact O-CB 3.38Å; I584-L588 WeakPolarHBondContact O-CG 3.48Å; I584-L588 PolarHBondContact O-N 3.39Å; I584-F760 HydrophobicContact CG2-CE1 3.97Å; I584-F760 HydrophobicContact CG2-CZ 4.45Å; I584-L762 HydrophobicContact CG2-CD2 3.9Å
585	R	96.5	Very high	95.6	Very high	62 Å²	62	75 Å²	75	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-49.7	177.5	-175.9	-162.2	-174.1	173.6	2.5	111.8	R581 E582 M583 L588 I589 L743 L762	R581-R585 WeakPolarHBondContact O-CB 3.47Å; R581-R585 PolarHBondContact O-N 3.49Å; E582-R585 WeakPolarHBondContact O-CB 3.44Å; E582-R585 PolarHBondContact O-N 3.13Å; E582-R585 VanDerWaalsContact O-N 3.14Å; E582-R585 WeakPolarHBondContact OE1-CD 3.48Å; E582-R585 IonicContact OE1-CZ 3.25Å; E582-R585 IonicContact OE1-NE 3Å; E582-R585 IonicContact OE1-NH1 2.67Å; E582-R585 PolarHBondContact OE1-NH1 3.37Å; E582-R585 IonicContact OE2-NH1 2.63Å; M583-R585 VanDerWaalsContact C-N 3.32Å; M583-R585 PolarHBondContact O-N 2.97Å; R585-L588 PolarHBondContact O-N 3.45Å; R585-I589 HydrophobicContact CG-CD1 4.08Å; R585-I589 VanDerWaalsContact O-CG1 3.31Å; R585-I589 WeakPolarHBondContact O-CG1 3.44Å; R585-I589 PolarHBondContact O-N 2.97Å; R585-L743 HydrophobicContact CB-CD2 4.31Å; R585-L743 HydrophobicContact CG-CD1 3.97Å; R585-L743 HydrophobicContact CG-CD2 3.82Å; R585-L743 HydrophobicContact CG-CG 4.47Å; R585-L762 HydrophobicContact CB-CD1 4.46Å
586	E	97	Very high	95.6	Very high	127 Å²	127	72.7 Å²	72.7	59%	0.593	36%	0.355	S	S	*	.	H	α-helix	trans	-57.8	-50.1	178.1	-72.3	177	159.8	0	0	111.4	E582 M583 L588 I589 E590	E582-E586 WeakPolarHBondContact O-CG 3.26Å; E582-E586 PolarHBondContact O-N 2.76Å; M583-E586 PolarHBondContact O-N 3.36Å; E586-L588 VanDerWaalsContact C-N 3.34Å; E586-L588 PolarHBondContact O-N 3.33Å; E586-I589 PolarHBondContact O-N 3.04Å; E586-E590 PolarHBondContact O-N 3.31Å
587	L	97.5	Very high	95.7	Very high	90 Å²	90	76.3 Å²	76.3	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-34.2	179.6	-68.4	170.6	0	0	0	113.2	M583 K591	M583-L587 HydrophobicContact CE-CD1 3.91Å; M583-L587 HydrophobicContact CG-CD1 4.04Å; M583-L587 WeakPolarHBondContact O-CB 3.44Å; M583-L587 VanDerWaalsContact O-CG 3.3Å; M583-L587 WeakPolarHBondContact O-CG 3.47Å; M583-L587 PolarHBondContact O-N 3.17Å; M583-L587 VanDerWaalsContact O-N 3.11Å; L587-K591 WeakPolarHBondContact O-CB 3.47Å; L587-K591 PolarHBondContact O-N 3.09Å
588	L	97.7	Very high	96	Very high	16 Å²	16	78.3 Å²	78.3	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-70	-36.7	174.7	-76.1	170.9	0	0	0	112.3	I584 R585 E586 S592 L743 L745 F760 Y767	I584-L588 HydrophobicContact CG2-CD1 3.68Å; I584-L588 HydrophobicContact CG2-CG 4.32Å; I584-L588 WeakPolarHBondContact O-CB 3.38Å; I584-L588 WeakPolarHBondContact O-CG 3.48Å; I584-L588 PolarHBondContact O-N 3.39Å; R585-L588 PolarHBondContact O-N 3.45Å; E586-L588 VanDerWaalsContact C-N 3.34Å; E586-L588 PolarHBondContact O-N 3.33Å; L588-S592 VanDerWaalsContact O-CB 3.27Å; L588-S592 WeakPolarHBondContact O-CB 3.33Å; L588-S592 PolarHBondContact O-N 3.08Å; L588-L743 HydrophobicContact CB-CD2 3.88Å; L588-L743 HydrophobicContact CD1-CD2 4.09Å; L588-L745 HydrophobicContact CB-CD2 4.07Å; L588-L745 HydrophobicContact CD2-CD1 4.45Å; L588-F760 HydrophobicContact CD1-CB 3.76Å; L588-F760 HydrophobicContact CD1-CD1 3.59Å; L588-F760 HydrophobicContact CD1-CD2 3.9Å; L588-F760 HydrophobicContact CD1-CE1 4.09Å; L588-F760 HydrophobicContact CD1-CE2 4.37Å; L588-F760 HydrophobicContact CD1-CG 3.47Å; L588-F760 VanDerWaalsContact CD1-CG 3.47Å; L588-F760 HydrophobicContact CD1-CZ 4.45Å; L588-F760 HydrophobicContact CD2-CD2 4.47Å; L588-Y767 HydrophobicContact CD2-CE1 4.14Å
589	I	97.9	Very high	96	Very high	43 Å²	43	75.2 Å²	75.2	22%	0.221	36%	0.36	C	S	.	.	H	α-helix	trans	-67	-46.6	173.1	-66.4	167.7	0	0	0	109.7	R585 E586 K591 S592 L593 H735 L743	R585-I589 HydrophobicContact CG-CD1 4.08Å; R585-I589 VanDerWaalsContact O-CG1 3.31Å; R585-I589 WeakPolarHBondContact O-CG1 3.44Å; R585-I589 PolarHBondContact O-N 2.97Å; E586-I589 PolarHBondContact O-N 3.04Å; I589-K591 PolarHBondContact O-N 3.47Å; I589-S592 PolarHBondContact O-N 3.31Å; I589-L593 HydrophobicContact CG2-CD1 3.93Å; I589-L593 HydrophobicContact CG2-CG 4.35Å; I589-L593 WeakPolarHBondContact O-CG 3.47Å; I589-L593 PolarHBondContact O-N 3.43Å; I589-H735 HydrophobicContact CD1-CB 4.17Å; I589-H735 HydrophobicContact CG1-CB 3.93Å; I589-L743 HydrophobicContact CD1-CD1 4.23Å; I589-L743 HydrophobicContact CG1-CD1 4.29Å; I589-L743 HydrophobicContact CG1-CD2 4.37Å
590	E	97.6	Very high	96	Very high	113 Å²	113	71.5 Å²	71.5	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-58	-49.9	176.2	-172.9	-177.3	-173.5	0	0	111.5	E586 S592 L593 L594	E586-E590 PolarHBondContact O-N 3.31Å; E590-S592 PolarHBondContact O-N 2.86Å; E590-L593 PolarHBondContact O-N 3.21Å; E590-L594 HydrophobicContact CG-CD1 4.2Å; E590-L594 WeakPolarHBondContact O-CG 3.48Å; E590-L594 PolarHBondContact O-N 3.23Å
591	K	97	Very high	96.1	Very high	77 Å²	77	72.5 Å²	72.5	34%	0.335	34%	0.343	S	S	.	.	H	α-helix	trans	-54.3	-51.7	174.1	176.7	165.8	176.6	163.9	0	110.4	D376 L587 I589 L593 L594 E595	D376-K591 IonicContact OD2-NZ 3.38Å; D376-K591 PolarHBondContact OD2-NZ 2.95Å; L587-K591 WeakPolarHBondContact O-CB 3.47Å; L587-K591 PolarHBondContact O-N 3.09Å; I589-K591 PolarHBondContact O-N 3.47Å; K591-L593 VanDerWaalsContact C-N 3.3Å; K591-L593 PolarHBondContact O-N 2.92Å; K591-L594 PolarHBondContact O-N 2.83Å; K591-L594 VanDerWaalsContact O-N 3.13Å; K591-E595 WeakPolarHBondContact CE-OE1 3.47Å; K591-E595 HydrophobicContact CG-CG 4.15Å; K591-E595 IonicContact NZ-OE1 3.77Å; K591-E595 WeakPolarHBondContact O-CB 3.27Å; K591-E595 VanDerWaalsContact O-CG 3.3Å; K591-E595 WeakPolarHBondContact O-CG 3.41Å; K591-E595 PolarHBondContact O-N 3.41Å
592	S	96.6	Very high	96.1	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.007	35%	0.345	C	S	.	.	H	α-helix	trans	-60.7	-34.6	-179.5	174.2	0	0	0	0	113.2	L588 I589 E590 R596 H735 N746	L588-S592 VanDerWaalsContact O-CB 3.27Å; L588-S592 WeakPolarHBondContact O-CB 3.33Å; L588-S592 PolarHBondContact O-N 3.08Å; I589-S592 PolarHBondContact O-N 3.31Å; E590-S592 PolarHBondContact O-N 2.86Å; S592-R596 VanDerWaalsContact O-CB 3.32Å; S592-R596 WeakPolarHBondContact O-CB 3.48Å; S592-R596 VanDerWaalsContact O-CG 3.22Å; S592-R596 WeakPolarHBondContact O-CG 3.15Å; S592-R596 PolarHBondContact O-N 2.96Å; S592-H735 WeakPolarHBondContact CB-NE2 3.47Å; S592-H735 PolarHBondContact OG-NE2 2.84Å; S592-N746 PolarHBondContact OG-OD1 2.72Å
593	L	96.9	Very high	96.1	Very high	91 Å²	91	69.6 Å²	69.6	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-70.8	-38.2	174.4	-69.6	171.8	0	0	0	112.4	I589 E590 K591 K597	I589-L593 HydrophobicContact CG2-CD1 3.93Å; I589-L593 HydrophobicContact CG2-CG 4.35Å; I589-L593 WeakPolarHBondContact O-CG 3.47Å; I589-L593 PolarHBondContact O-N 3.43Å; E590-L593 PolarHBondContact O-N 3.21Å; K591-L593 VanDerWaalsContact C-N 3.3Å; K591-L593 PolarHBondContact O-N 2.92Å; L593-K597 VanDerWaalsContact O-CB 3.3Å; L593-K597 WeakPolarHBondContact O-CB 3.37Å; L593-K597 PolarHBondContact O-N 3.43Å
594	L	96.9	Very high	96	Very high	92 Å²	92	69.2 Å²	69.2	48%	0.482	33%	0.332	S	S	.	.	H	α-helix	trans	-66.5	-41.7	173.2	-67.8	170.2	0	0	0	111.9	E590 K591 K597 T598	E590-L594 HydrophobicContact CG-CD1 4.2Å; E590-L594 WeakPolarHBondContact O-CG 3.48Å; E590-L594 PolarHBondContact O-N 3.23Å; K591-L594 PolarHBondContact O-N 2.83Å; K591-L594 VanDerWaalsContact O-N 3.13Å; L594-K597 PolarHBondContact O-N 3.45Å; L594-T598 WeakPolarHBondContact O-CB 3.44Å; L594-T598 PolarHBondContact O-N 3.06Å; L594-T598 PolarHBondContact O-OG1 3.47Å
595	E	95.4	Very high	95.8	Very high	11 Å²	11	71.6 Å²	71.6	5%	0.051	34%	0.342	C	S	.	.	H	α-helix	trans	-55	-57.5	170.3	-73	-172.5	170.7	0	0	110.6	Q377 K591 K597 T598 T599 N746	Q377-E595 VanDerWaalsContact CD-CB 3.45Å; Q377-E595 HydrophobicContact CG-CB 4.25Å; Q377-E595 HydrophobicContact CG-CG 4.09Å; Q377-E595 PolarHBondContact OE1-O 3.24Å; K591-E595 WeakPolarHBondContact CE-OE1 3.47Å; K591-E595 HydrophobicContact CG-CG 4.15Å; K591-E595 IonicContact NZ-OE1 3.77Å; K591-E595 WeakPolarHBondContact O-CB 3.27Å; K591-E595 VanDerWaalsContact O-CG 3.3Å; K591-E595 WeakPolarHBondContact O-CG 3.41Å; K591-E595 PolarHBondContact O-N 3.41Å; E595-K597 VanDerWaalsContact C-N 3.31Å; E595-K597 PolarHBondContact O-N 3.43Å; E595-T598 PolarHBondContact O-N 3.08Å; E595-T598 VanDerWaalsContact O-N 3.16Å; E595-T599 PolarHBondContact O-N 3.4Å; E595-T599 PolarHBondContact O-OG1 2.92Å; E595-N746 PolarHBondContact OE2-ND2 3.25Å
596	R	95.6	Very high	95.7	Very high	23 Å²	23	70 Å²	70	9%	0.087	34%	0.338	C	S	.	.	H	α-helix	trans	-56.4	-38.1	178.1	-77.8	-179.2	-173.1	-171.1	5.3	113.8	S592 R600 E727 K733 H735 L745	S592-R596 VanDerWaalsContact O-CB 3.32Å; S592-R596 WeakPolarHBondContact O-CB 3.48Å; S592-R596 VanDerWaalsContact O-CG 3.22Å; S592-R596 WeakPolarHBondContact O-CG 3.15Å; S592-R596 PolarHBondContact O-N 2.96Å; R596-R600 WeakPolarHBondContact O-CB 3.46Å; R596-R600 VanDerWaalsContact O-CG 3.31Å; R596-R600 WeakPolarHBondContact O-CG 3.31Å; R596-R600 PolarHBondContact O-N 3.02Å; R596-R600 VanDerWaalsContact O-N 3.16Å; R596-R600 PolarHBondContact O-NH1 2.86Å; R596-E727 IonicContact NE-OE1 3.8Å; R596-E727 IonicContact NE-OE2 2.68Å; R596-K733 VanDerWaalsContact CZ-O 3.26Å; R596-K733 PolarHBondContact NH1-O 2.94Å; R596-K733 PolarHBondContact NH2-O 3.3Å; R596-H735 VanDerWaalsContact CZ-CE1 3.47Å; R596-L745 PolarHBondContact NH2-O 3.32Å
597	K	96.4	Very high	95.5	Very high	152 Å²	152	70.2 Å²	70.2	66%	0.661	33%	0.333	S	S	*	.	H	α-helix	trans	-67.5	-47.3	176.3	-179.3	-178	178.7	-176.7	0	111.5	L593 L594 E595 T599 R600 Q601	L593-K597 VanDerWaalsContact O-CB 3.3Å; L593-K597 WeakPolarHBondContact O-CB 3.37Å; L593-K597 PolarHBondContact O-N 3.43Å; L594-K597 PolarHBondContact O-N 3.45Å; E595-K597 VanDerWaalsContact C-N 3.31Å; E595-K597 PolarHBondContact O-N 3.43Å; K597-T599 VanDerWaalsContact C-N 3.33Å; K597-T599 PolarHBondContact O-N 2.87Å; K597-R600 PolarHBondContact O-N 2.95Å; K597-Q601 PolarHBondContact O-N 2.59Å
598	T	96.3	Very high	95.2	Very high	86 Å²	86	72.2 Å²	72.2	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-42.4	-179.7	-55.5	0	0	0	0	111	L594 E595 Q601 K602	L594-T598 WeakPolarHBondContact O-CB 3.44Å; L594-T598 PolarHBondContact O-N 3.06Å; L594-T598 PolarHBondContact O-OG1 3.47Å; E595-T598 PolarHBondContact O-N 3.08Å; E595-T598 VanDerWaalsContact O-N 3.16Å; T598-Q601 PolarHBondContact O-N 3.01Å; T598-K602 WeakPolarHBondContact O-CB 3.36Å; T598-K602 PolarHBondContact O-N 3.13Å
599	T	93.6	Very high	95.1	Very high	22 Å²	22	74.9 Å²	74.9	14%	0.135	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-43.2	177.5	-52	0	0	0	0	112.1	Q377 E595 K597 Q601 K602 V603 E720 I724	Q377-T599 PolarHBondContact OE1-OG1 2.92Å; E595-T599 PolarHBondContact O-N 3.4Å; E595-T599 PolarHBondContact O-OG1 2.92Å; K597-T599 VanDerWaalsContact C-N 3.33Å; K597-T599 PolarHBondContact O-N 2.87Å; T599-Q601 PolarHBondContact O-N 2.78Å; T599-K602 PolarHBondContact O-N 2.84Å; T599-V603 WeakPolarHBondContact O-CG2 2.98Å; T599-V603 PolarHBondContact O-N 3.31Å; T599-E720 HydrophobicContact CG2-CG 3.83Å; T599-E720 WeakPolarHBondContact CG2-OE1 3.39Å; T599-I724 HydrophobicContact CG2-CD1 4.41Å
600	R	95	Very high	95	Very high	70 Å²	70	72.9 Å²	72.9	26%	0.264	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-39	175.7	-76.4	169	177.4	73.2	-5.8	112.4	R596 K597 V603 M604 I724 E727 D728	R596-R600 WeakPolarHBondContact O-CB 3.46Å; R596-R600 VanDerWaalsContact O-CG 3.31Å; R596-R600 WeakPolarHBondContact O-CG 3.31Å; R596-R600 PolarHBondContact O-N 3.02Å; R596-R600 VanDerWaalsContact O-N 3.16Å; R596-R600 PolarHBondContact O-NH1 2.86Å; K597-R600 PolarHBondContact O-N 2.95Å; R600-V603 PolarHBondContact O-N 3.04Å; R600-M604 PolarHBondContact O-N 2.8Å; R600-I724 HydrophobicContact CG-CD1 3.97Å; R600-I724 HydrophobicContact CG-CG1 4.5Å; R600-I724 HydrophobicContact CG-CG2 4.25Å; R600-E727 IonicContact CZ-OE2 2.74Å; R600-E727 VanDerWaalsContact CZ-OE2 3.27Å; R600-E727 IonicContact NH1-OE2 2.98Å; R600-E727 PolarHBondContact NH1-OE2 2.85Å; R600-E727 IonicContact NH2-OE2 2.72Å; R600-E727 PolarHBondContact NH2-OE2 3.19Å; R600-D728 IonicContact CZ-OD1 3.49Å; R600-D728 IonicContact NE-OD1 3.21Å; R600-D728 IonicContact NH2-OD1 2.79Å; R600-D728 PolarHBondContact NH2-OD1 3.1Å; R600-D728 IonicContact NH2-OD2 3.56Å
601	Q	95.3	Very high	94.9	Very high	88 Å²	88	67.6 Å²	67.6	41%	0.411	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-48.9	173.2	177.9	62	26	0	0	111.8	K597 T598 T599 V603 M604 E605	K597-Q601 PolarHBondContact O-N 2.59Å; T598-Q601 PolarHBondContact O-N 3.01Å; T599-Q601 PolarHBondContact O-N 2.78Å; Q601-V603 VanDerWaalsContact C-N 3.27Å; Q601-V603 PolarHBondContact O-N 3.34Å; Q601-M604 WeakPolarHBondContact O-CA 3.41Å; Q601-M604 WeakPolarHBondContact O-CB 3.45Å; Q601-M604 PolarHBondContact O-N 3.01Å; Q601-E605 WeakPolarHBondContact CG-OE1 3.37Å; Q601-E605 PolarHBondContact NE2-OE1 3.45Å; Q601-E605 PolarHBondContact O-N 3.49Å
602	K	93.7	Very high	94.8	Very high	101 Å²	101	65.8 Å²	65.8	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-35.2	177.4	-172.5	174.6	-176	173.6	0	112.5	T598 T599 N606	T598-K602 WeakPolarHBondContact O-CB 3.36Å; T598-K602 PolarHBondContact O-N 3.13Å; T599-K602 PolarHBondContact O-N 2.84Å; K602-N606 WeakPolarHBondContact O-CB 3.35Å; K602-N606 PolarHBondContact O-N 3.02Å; K602-N606 PolarHBondContact O-ND2 3.34Å
603	V	94.4	Very high	94.6	Very high	25 Å²	25	68.3 Å²	68.3	15%	0.152	32%	0.322	C	S	.	.	H	α-helix	trans	-70	-41	172.1	167.4	0	0	0	0	111.5	T599 R600 Q601 E605 N606 R607 H717 E720 I721 I724	T599-V603 WeakPolarHBondContact O-CG2 2.98Å; T599-V603 PolarHBondContact O-N 3.31Å; R600-V603 PolarHBondContact O-N 3.04Å; Q601-V603 VanDerWaalsContact C-N 3.27Å; Q601-V603 PolarHBondContact O-N 3.34Å; V603-E605 VanDerWaalsContact C-N 3.34Å; V603-E605 PolarHBondContact O-N 3.48Å; V603-N606 PolarHBondContact O-N 2.87Å; V603-R607 PolarHBondContact O-N 3.36Å; V603-H717 VanDerWaalsContact CA-CE1 3.44Å; V603-H717 WeakPolarHBondContact CA-CE1 3.34Å; V603-H717 WeakPolarHBondContact CG1-CE1 3.35Å; V603-H717 PolarHBondContact O-CE1 3.22Å; V603-E720 HydrophobicContact CG2-CB 4.27Å; V603-E720 HydrophobicContact CG2-CG 3.69Å; V603-I721 HydrophobicContact CG1-CG1 3.71Å; V603-I724 HydrophobicContact CB-CD1 4.27Å; V603-I724 HydrophobicContact CG2-CD1 3.8Å
604	M	92.7	Very high	94.3	Very high	108 Å²	108	67.4 Å²	67.4	53%	0.532	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-39.8	176.5	-168	178.5	78.4	0	0	112.6	R600 Q601 R607	R600-M604 PolarHBondContact O-N 2.8Å; Q601-M604 WeakPolarHBondContact O-CA 3.41Å; Q601-M604 WeakPolarHBondContact O-CB 3.45Å; Q601-M604 PolarHBondContact O-N 3.01Å; M604-R607 WeakPolarHBondContact O-CB 3.39Å; M604-R607 PolarHBondContact O-N 2.93Å
605	E	92.1	Very high	94	Very high	106 Å²	106	67 Å²	67	50%	0.495	32%	0.319	S	S	.	.	H	α-helix	trans	-67.2	-45.9	176.1	-69.9	163.3	-172.6	0	0	111.9	Q601 V603 R607 L608	Q601-E605 WeakPolarHBondContact CG-OE1 3.37Å; Q601-E605 PolarHBondContact NE2-OE1 3.45Å; Q601-E605 PolarHBondContact O-N 3.49Å; V603-E605 VanDerWaalsContact C-N 3.34Å; V603-E605 PolarHBondContact O-N 3.48Å; E605-R607 PolarHBondContact O-N 3.15Å; E605-L608 PolarHBondContact O-N 2.88Å
606	N	94.2	Very high	93.7	Very high	27 Å²	27	71.2 Å²	71.2	14%	0.144	34%	0.338	C	S	.	.	H	α-helix	trans	-68.5	-21	178.3	-78.2	-68.6	0	0	0	113.3	K602 V603 L608 R609 L610 G611 H717	K602-N606 WeakPolarHBondContact O-CB 3.35Å; K602-N606 PolarHBondContact O-N 3.02Å; K602-N606 PolarHBondContact O-ND2 3.34Å; V603-N606 PolarHBondContact O-N 2.87Å; N606-L608 PolarHBondContact O-N 3.35Å; N606-R609 PolarHBondContact O-N 3.14Å; N606-R609 PolarHBondContact OD1-NE 2.95Å; N606-R609 PolarHBondContact OD1-NH2 3.4Å; N606-L610 HydrophobicContact CB-CD1 4Å; N606-L610 HydrophobicContact CB-CG 4.39Å; N606-L610 WeakPolarHBondContact O-CB 3.25Å; N606-L610 PolarHBondContact O-N 2.93Å; N606-L610 WeakPolarHBondContact OD1-CD1 3.43Å; N606-G611 PolarHBondContact O-N 3.48Å; N606-H717 PolarHBondContact O-NE2 3.49Å
607	R	93.4	Very high	93.4	Very high	132 Å²	132	78.6 Å²	78.6	50%	0.498	37%	0.366	S	S	.	.	H	α-helix	trans	-52.1	-40.7	172.3	-164.7	-172.8	175.9	-177.6	-0.9	113	V603 M604 E605 G611 Q612 H717	V603-R607 PolarHBondContact O-N 3.36Å; M604-R607 WeakPolarHBondContact O-CB 3.39Å; M604-R607 PolarHBondContact O-N 2.93Å; E605-R607 PolarHBondContact O-N 3.15Å; R607-G611 WeakPolarHBondContact CA-O 3.16Å; R607-G611 CarbonylContact O-C 3.55Å; R607-G611 WeakPolarHBondContact O-CA 3.44Å; R607-G611 PolarHBondContact O-N 2.67Å; R607-Q612 HydrophobicContact CG-CB 3.8Å; R607-H717 WeakPolarHBondContact CA-NE2 3.23Å; R607-H717 PolarHBondContact N-CE1 2.71Å; R607-H717 PolarHBondContact N-NE2 2.89Å
608	L	91.6	Very high	92.8	Very high	132 Å²	132	76.7 Å²	76.7	69%	0.691	36%	0.359	S	S	*	.	H	α-helix	trans	-81.2	-39.4	179.3	-64.3	176.5	0	0	0	112.1	E605 N606 G629 S630	E605-L608 PolarHBondContact O-N 2.88Å; N606-L608 PolarHBondContact O-N 3.35Å; L608-G629 CarbonylContact O-C 3.26Å; L608-G629 VanDerWaalsContact O-CA 3.31Å; L608-G629 WeakPolarHBondContact O-CA 3.33Å; L608-S630 PolarHBondContact O-N 3.39Å; L608-S630 PolarHBondContact O-OG 3.27Å
609	R	94.6	Very high	92.3	Very high	73 Å²	73	75.2 Å²	75.2	28%	0.275	36%	0.361	S	S	.	.	H	α-helix	trans	-79.3	-46.2	-171.8	-167.8	178.6	67.3	92	-0.1	113.3	N606 G629 S630 R631 E713	N606-R609 PolarHBondContact O-N 3.14Å; N606-R609 PolarHBondContact OD1-NE 2.95Å; N606-R609 PolarHBondContact OD1-NH2 3.4Å; R609-G629 CarbonylContact O-C 3.54Å; R609-S630 PolarHBondContact O-N 3.06Å; R609-R631 HydrophobicContact CG-CB 4.49Å; R609-R631 HydrophobicContact CG-CG 3.67Å; R609-R631 PolarHBondContact O-N 2.82Å; R609-E713 IonicContact CZ-OE2 2.82Å; R609-E713 IonicContact NH1-OE2 3.57Å; R609-E713 PolarHBondContact NH1-OE2 3.3Å; R609-E713 IonicContact NH2-OE2 3.09Å; R609-E713 PolarHBondContact NH2-OE2 3.41Å
610	L	95.5	Very high	92	Very high	1 Å²	1	78.1 Å²	78.1	1%	0.005	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-38.7	-175	-59.4	178	0	0	0	112	N606 G629 F632 L710 E713 H717	N606-L610 HydrophobicContact CB-CD1 4Å; N606-L610 HydrophobicContact CB-CG 4.39Å; N606-L610 WeakPolarHBondContact O-CB 3.25Å; N606-L610 PolarHBondContact O-N 2.93Å; N606-L610 WeakPolarHBondContact OD1-CD1 3.43Å; L610-G629 PolarHBondContact O-N 3.39Å; L610-F632 HydrophobicContact CD2-CE2 4.31Å; L610-F632 WeakPolarHBondContact O-CD2 3.38Å; L610-F632 WeakPolarHBondContact O-CE2 3.35Å; L610-L710 HydrophobicContact CD2-CD2 3.86Å; L610-E713 HydrophobicContact CD1-CB 3.82Å; L610-E713 HydrophobicContact CD2-CB 4.05Å; L610-H717 HydrophobicContact CD1-CB 3.87Å
611	G	94.9	Very high	91.4	Very high	1 Å²	1	81.4 Å²	81.4	1%	0.01	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.9	-173.2	176.8	0	0	0	0	0	113.9	N606 R607 W626 I627 H717	N606-G611 PolarHBondContact O-N 3.48Å; R607-G611 WeakPolarHBondContact CA-O 3.16Å; R607-G611 CarbonylContact O-C 3.55Å; R607-G611 WeakPolarHBondContact O-CA 3.44Å; R607-G611 PolarHBondContact O-N 2.67Å; G611-W626 VanDerWaalsContact CA-CZ2 3.46Å; G611-W626 VanDerWaalsContact O-CH2 3.31Å; G611-W626 WeakPolarHBondContact O-CH2 3.46Å; G611-I627 WeakPolarHBondContact CA-O 3.48Å; G611-H717 PolarHBondContact O-NE2 2.9Å
612	Q	94.8	Very high	91	Very high	40 Å²	40	84.5 Å²	84.5	19%	0.187	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	158.8	-173.4	61.1	179.9	-37.4	0	0	112.5	R607 I614 W626 I627	R607-Q612 HydrophobicContact CG-CB 3.8Å; Q612-I614 HydrophobicContact CG-CD1 4.36Å; Q612-I614 HydrophobicContact CG-CG1 3.94Å; Q612-W626 VanDerWaalsContact C-CZ3 3.49Å; Q612-W626 CarbonylContact O-C 3.57Å; Q612-W626 WeakPolarHBondContact O-CA 3.27Å; Q612-I627 PolarHBondContact N-O 3.19Å; Q612-I627 PolarHBondContact O-N 3.36Å
613	F	93.1	Very high	90.8	Very high	53 Å²	53	84 Å²	84	23%	0.232	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139.8	158.1	-64.6	-80.6	0	0	0	109.8	E624 K625 W626 I718	F613-E624 HydrophobicContact CD1-CB 4.25Å; F613-K625 CarbonylContact C-O 3.6Å; F613-K625 WeakPolarHBondContact CA-O 3.39Å; F613-W626 HydrophobicContact CD1-CB 4.4Å; F613-W626 HydrophobicContact CD1-CE3 4.01Å; F613-W626 AromaticContact CD2-CE3 3.7Å; F613-W626 HydrophobicContact CD2-CE3 3.7Å; F613-W626 AromaticContact CD2-CZ3 3.76Å; F613-W626 HydrophobicContact CD2-CZ3 3.76Å; F613-W626 HydrophobicContact CE1-CB 4.27Å; F613-W626 AromaticContact CE1-CE3 3.91Å; F613-W626 HydrophobicContact CE1-CE3 3.91Å; F613-W626 AromaticContact CE2-CE3 3.59Å; F613-W626 HydrophobicContact CE2-CE3 3.59Å; F613-W626 AromaticContact CE2-CZ3 3.66Å; F613-W626 HydrophobicContact CE2-CZ3 3.66Å; F613-W626 AromaticContact CG-CE3 3.9Å; F613-W626 HydrophobicContact CG-CE3 3.9Å; F613-W626 HydrophobicContact CG-CZ3 4.36Å; F613-W626 AromaticContact CZ-CE3 3.69Å; F613-W626 HydrophobicContact CZ-CE3 3.69Å; F613-W626 HydrophobicContact CZ-CZ3 4.19Å; F613-I718 HydrophobicContact CE2-CG1 4.15Å; F613-I718 HydrophobicContact CE2-CG2 4.12Å; F613-I718 HydrophobicContact CZ-CG1 4.36Å; F613-I718 HydrophobicContact CZ-CG2 4.15Å
614	I	91.3	Very high	90.6	Very high	72 Å²	72	88.5 Å²	88.5	37%	0.369	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128	165.2	-57.1	-161	0	0	0	108.3	Q612 Q616 K625 I627	Q612-I614 HydrophobicContact CG-CD1 4.36Å; Q612-I614 HydrophobicContact CG-CG1 3.94Å; I614-Q616 PolarHBondContact O-N 2.99Å; I614-K625 PolarHBondContact N-O 2.88Å; I614-K625 PolarHBondContact O-N 3.43Å; I614-I627 HydrophobicContact CB-CD1 4.22Å; I614-I627 HydrophobicContact CD1-CD1 3.77Å; I614-I627 HydrophobicContact CG1-CD1 3.99Å; I614-I627 HydrophobicContact CG1-CG1 4.43Å
615	T	90.8	Very high	90.5	Very high	85 Å²	85	88.4 Å²	88.4	52%	0.521	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	109.4	173.4	-40.8	0	0	0	0	109.8	F622 E623	T615-F622 HydrophobicContact CG2-CB 3.85Å; T615-F622 HydrophobicContact CG2-CD1 4.08Å; T615-F622 HydrophobicContact CG2-CG 4.35Å; T615-E623 CarbonylContact C-O 3.54Å; T615-E623 WeakPolarHBondContact CA-O 3.4Å
616	Q	87.9	Confident	90.5	Very high	99 Å²	99	85.8 Å²	85.8	46%	0.463	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.9	176.8	-172.2	168.8	10.4	0	0	110.1	I614 Q618 F622 E623	I614-Q616 PolarHBondContact O-N 2.99Å; Q616-Q618 PolarHBondContact O-N 3.06Å; Q616-F622 WeakPolarHBondContact O-CA 3.27Å; Q616-E623 PolarHBondContact N-O 3.35Å; Q616-E623 PolarHBondContact O-N 3.2Å
617	R	89.9	Confident	90.5	Very high	178 Å²	178	87.8 Å²	87.8	67%	0.672	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.2	176.1	-174.5	-179.3	168.7	-166.1	-5.3	110.8	G619 H621 F622	R617-G619 VanDerWaalsContact CZ-O 3.3Å; R617-G619 PolarHBondContact NE-O 3.09Å; R617-G619 PolarHBondContact NH2-O 3.23Å; R617-H621 CarbonylContact C-O 3.46Å; R617-F622 HydrophobicContact CB-CD1 4.06Å; R617-F622 HydrophobicContact CB-CE1 3.94Å; R617-F622 HydrophobicContact CG-CD1 4.38Å; R617-F622 HydrophobicContact CG-CE1 4.09Å; R617-F622 HydrophobicContact CG-CZ 4.49Å
618	Q	83.3	Confident	90.6	Very high	111 Å²	111	84.2 Å²	84.2	52%	0.519	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	82.7	173.4	-70.1	-99.6	26	0	0	108.9	Q616 A620 H621 E623	Q616-Q618 PolarHBondContact O-N 3.06Å; Q618-A620 PolarHBondContact O-N 3.01Å; Q618-H621 CarbonylContact C-O 3.35Å; Q618-H621 PolarHBondContact N-O 3.39Å; Q618-H621 PolarHBondContact O-N 2.96Å; Q618-E623 HydrophobicContact CG-CB 4.11Å; Q618-E623 WeakPolarHBondContact CG-OE2 3.48Å; Q618-E623 PolarHBondContact NE2-OE2 2.81Å
619	G	85.9	Confident	90.7	Very high	55 Å²	55	78.1 Å²	78.1	57%	0.567	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-102.8	178.8	0	0	0	0	0	113.7	R617	R617-G619 VanDerWaalsContact CZ-O 3.3Å; R617-G619 PolarHBondContact NE-O 3.09Å; R617-G619 PolarHBondContact NH2-O 3.23Å
620	A	86.6	Confident	90.8	Very high	84 Å²	84	77.8 Å²	77.8	69%	0.694	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-9.9	175.3	0	0	0	0	0	113.5	Q618	Q618-A620 PolarHBondContact O-N 3.01Å
621	H	84.2	Confident	90.7	Very high	139 Å²	139	83.2 Å²	83.2	64%	0.644	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	165.8	-174	-56.4	-79.3	0	0	0	111.6	R617 Q618	R617-H621 CarbonylContact C-O 3.46Å; Q618-H621 CarbonylContact C-O 3.35Å; Q618-H621 PolarHBondContact N-O 3.39Å; Q618-H621 PolarHBondContact O-N 2.96Å
622	F	86.8	Confident	90.7	Very high	152 Å²	152	84.1 Å²	84.1	67%	0.667	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	136	172.7	-67.2	-85.5	0	0	0	108.7	T615 Q616 R617	T615-F622 HydrophobicContact CG2-CB 3.85Å; T615-F622 HydrophobicContact CG2-CD1 4.08Å; T615-F622 HydrophobicContact CG2-CG 4.35Å; Q616-F622 WeakPolarHBondContact O-CA 3.27Å; R617-F622 HydrophobicContact CB-CD1 4.06Å; R617-F622 HydrophobicContact CB-CE1 3.94Å; R617-F622 HydrophobicContact CG-CD1 4.38Å; R617-F622 HydrophobicContact CG-CE1 4.09Å; R617-F622 HydrophobicContact CG-CZ 4.49Å
623	E	88.5	Confident	90.7	Very high	92 Å²	92	87.7 Å²	87.7	43%	0.43	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.2	-180	-174.6	-168.5	173.1	0	0	109.3	T615 Q616 Q618 K625	T615-E623 CarbonylContact C-O 3.54Å; T615-E623 WeakPolarHBondContact CA-O 3.4Å; Q616-E623 PolarHBondContact N-O 3.35Å; Q616-E623 PolarHBondContact O-N 3.2Å; Q618-E623 HydrophobicContact CG-CB 4.11Å; Q618-E623 WeakPolarHBondContact CG-OE2 3.48Å; Q618-E623 PolarHBondContact NE2-OE2 2.81Å; E623-K625 PolarHBondContact O-N 3.45Å
624	E	89.5	Confident	90.8	Very high	119 Å²	119	89.2 Å²	89.2	56%	0.556	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	104.5	174.1	-64.7	-163.3	139.6	0	0	111	F613	F613-E624 HydrophobicContact CD1-CB 4.25Å
625	K	91.3	Very high	91	Very high	106 Å²	106	86.2 Å²	86.2	46%	0.461	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.2	-178.9	-172.3	167.5	-176	169.7	0	111.1	F613 I614 E623	F613-K625 CarbonylContact C-O 3.6Å; F613-K625 WeakPolarHBondContact CA-O 3.39Å; I614-K625 PolarHBondContact N-O 2.88Å; I614-K625 PolarHBondContact O-N 3.43Å; E623-K625 PolarHBondContact O-N 3.45Å
626	W	93.3	Very high	91.1	Very high	51 Å²	51	85.9 Å²	85.9	19%	0.193	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.4	170.3	-173.4	-98.7	0	0	0	110.9	G611 Q612 F613 E628 R714 H717 I718 I721	G611-W626 VanDerWaalsContact CA-CZ2 3.46Å; G611-W626 VanDerWaalsContact O-CH2 3.31Å; G611-W626 WeakPolarHBondContact O-CH2 3.46Å; Q612-W626 VanDerWaalsContact C-CZ3 3.49Å; Q612-W626 CarbonylContact O-C 3.57Å; Q612-W626 WeakPolarHBondContact O-CA 3.27Å; F613-W626 HydrophobicContact CD1-CB 4.4Å; F613-W626 HydrophobicContact CD1-CE3 4.01Å; F613-W626 AromaticContact CD2-CE3 3.7Å; F613-W626 HydrophobicContact CD2-CE3 3.7Å; F613-W626 AromaticContact CD2-CZ3 3.76Å; F613-W626 HydrophobicContact CD2-CZ3 3.76Å; F613-W626 HydrophobicContact CE1-CB 4.27Å; F613-W626 AromaticContact CE1-CE3 3.91Å; F613-W626 HydrophobicContact CE1-CE3 3.91Å; F613-W626 AromaticContact CE2-CE3 3.59Å; F613-W626 HydrophobicContact CE2-CE3 3.59Å; F613-W626 AromaticContact CE2-CZ3 3.66Å; F613-W626 HydrophobicContact CE2-CZ3 3.66Å; F613-W626 AromaticContact CG-CE3 3.9Å; F613-W626 HydrophobicContact CG-CE3 3.9Å; F613-W626 HydrophobicContact CG-CZ3 4.36Å; F613-W626 AromaticContact CZ-CE3 3.69Å; F613-W626 HydrophobicContact CZ-CE3 3.69Å; F613-W626 HydrophobicContact CZ-CZ3 4.19Å; W626-E628 PolarHBondContact NE1-OE2 3.2Å; W626-R714 HydrophobicContact CH2-CG 4.24Å; W626-R714 HydrophobicContact CZ2-CG 3.49Å; W626-R714 VanDerWaalsContact CZ2-CG 3.49Å; W626-H717 AromaticContact CH2-CD2 3.86Å; W626-H717 AromaticContact CH2-NE2 3.97Å; W626-I718 HydrophobicContact CD2-CD1 4.32Å; W626-I718 HydrophobicContact CE3-CD1 4.12Å; W626-I718 HydrophobicContact CE3-CG1 4.02Å; W626-I718 HydrophobicContact CH2-CD1 4.07Å; W626-I718 HydrophobicContact CH2-CG1 3.61Å; W626-I718 HydrophobicContact CZ2-CD1 4.27Å; W626-I718 HydrophobicContact CZ2-CG1 4.3Å; W626-I718 HydrophobicContact CZ3-CD1 3.99Å; W626-I718 HydrophobicContact CZ3-CG1 3.45Å; W626-I718 VanDerWaalsContact CZ3-CG1 3.45Å; W626-I721 HydrophobicContact CZ3-CD1 4.39Å
627	I	93.8	Very high	91.5	Very high	68 Å²	68	85.8 Å²	85.8	35%	0.349	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.9	173.4	-57.8	-170	0	0	0	108.4	G611 Q612 I614	G611-I627 WeakPolarHBondContact CA-O 3.48Å; Q612-I627 PolarHBondContact N-O 3.19Å; Q612-I627 PolarHBondContact O-N 3.36Å; I614-I627 HydrophobicContact CB-CD1 4.22Å; I614-I627 HydrophobicContact CD1-CD1 3.77Å; I614-I627 HydrophobicContact CG1-CD1 3.99Å; I614-I627 HydrophobicContact CG1-CG1 4.43Å
628	E	94	Very high	91.7	Very high	57 Å²	57	81.6 Å²	81.6	27%	0.266	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	145.2	-176.5	-63.5	-68.4	-169.4	0	0	113	W626 F632 K633 R714	W626-E628 PolarHBondContact NE1-OE2 3.2Å; E628-F632 HydrophobicContact CB-CB 3.92Å; E628-F632 HydrophobicContact CB-CD2 4.4Å; E628-F632 HydrophobicContact CB-CG 4.37Å; E628-F632 HydrophobicContact CG-CB 4.45Å; E628-F632 WeakPolarHBondContact OE2-CD2 3.27Å; E628-K633 VanDerWaalsContact O-CE 3.24Å; E628-K633 WeakPolarHBondContact O-CE 3.31Å; E628-K633 PolarHBondContact O-NZ 3.24Å; E628-R714 IonicContact OE1-CZ 3.58Å; E628-R714 IonicContact OE1-NH1 2.67Å; E628-R714 PolarHBondContact OE1-NH1 2.74Å; E628-R714 VanDerWaalsContact OE2-CD 3.3Å; E628-R714 WeakPolarHBondContact OE2-CD 3.29Å
629	G	94.9	Very high	92.2	Very high	4 Å²	4	79.9 Å²	79.9	4%	0.041	40%	0.395	C	S	.	.			trans	-74.3	-178.8	-178.5	0	0	0	0	0	114.6	L608 R609 L610 R631 F632 K633	L608-G629 CarbonylContact O-C 3.26Å; L608-G629 VanDerWaalsContact O-CA 3.31Å; L608-G629 WeakPolarHBondContact O-CA 3.33Å; R609-G629 CarbonylContact O-C 3.54Å; L610-G629 PolarHBondContact O-N 3.39Å; G629-R631 PolarHBondContact O-N 2.89Å; G629-F632 PolarHBondContact O-N 3.49Å; G629-K633 PolarHBondContact O-N 3.39Å
630	S	95.4	Very high	92.6	Very high	66 Å²	66	82 Å²	82	46%	0.462	39%	0.389	S	S	.	.	H	α-helix	trans	-60.2	-41	-176.4	56.8	0	0	0	0	113.5	L608 R609 K633 E634	L608-S630 PolarHBondContact O-N 3.39Å; L608-S630 PolarHBondContact O-OG 3.27Å; R609-S630 PolarHBondContact O-N 3.06Å; S630-K633 PolarHBondContact O-N 2.79Å; S630-E634 WeakPolarHBondContact O-CB 3.31Å; S630-E634 PolarHBondContact O-N 3.35Å
631	R	94.5	Very high	93	Very high	116 Å²	116	81.7 Å²	81.7	44%	0.438	38%	0.375	S	S	.	.	H	α-helix	trans	-69	-37	-176.8	-69.6	-57.7	-159.3	171.5	5.7	113.2	R609 G629 E634 L635 L710	R609-R631 HydrophobicContact CG-CB 4.49Å; R609-R631 HydrophobicContact CG-CG 3.67Å; R609-R631 PolarHBondContact O-N 2.82Å; G629-R631 PolarHBondContact O-N 2.89Å; R631-E634 WeakPolarHBondContact CD-OE2 3.39Å; R631-E634 IonicContact CZ-OE2 3.45Å; R631-E634 IonicContact NE-OE2 3.16Å; R631-E634 IonicContact NH1-OE1 2.74Å; R631-E634 PolarHBondContact NH1-OE1 3.46Å; R631-E634 IonicContact NH1-OE2 3.59Å; R631-E634 PolarHBondContact NH1-OE2 2.96Å; R631-E634 PolarHBondContact O-N 3.17Å; R631-L635 WeakPolarHBondContact O-CG 3.32Å; R631-L635 PolarHBondContact O-N 3.43Å; R631-L635 VanDerWaalsContact O-N 3.07Å; R631-L710 HydrophobicContact CB-CD1 3.81Å; R631-L710 HydrophobicContact CB-CD2 4.46Å
632	F	95.3	Very high	93.5	Very high	19 Å²	19	75.5 Å²	75.5	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-40.8	173.5	-74.9	-75.1	0	0	0	111.8	L610 E628 G629 L635 D636 L707 L710 R714	L610-F632 HydrophobicContact CD2-CE2 4.31Å; L610-F632 WeakPolarHBondContact O-CD2 3.38Å; L610-F632 WeakPolarHBondContact O-CE2 3.35Å; E628-F632 HydrophobicContact CB-CB 3.92Å; E628-F632 HydrophobicContact CB-CD2 4.4Å; E628-F632 HydrophobicContact CB-CG 4.37Å; E628-F632 HydrophobicContact CG-CB 4.45Å; E628-F632 WeakPolarHBondContact OE2-CD2 3.27Å; G629-F632 PolarHBondContact O-N 3.49Å; F632-L635 PolarHBondContact O-N 3.47Å; F632-D636 WeakPolarHBondContact O-CB 3.28Å; F632-D636 PolarHBondContact O-N 2.93Å; F632-L707 HydrophobicContact CD1-CD2 3.93Å; F632-L707 HydrophobicContact CE1-CD2 4.37Å; F632-L710 HydrophobicContact CE1-CB 3.77Å; F632-L710 HydrophobicContact CE2-CB 4.14Å; F632-L710 HydrophobicContact CZ-CB 3.56Å; F632-R714 HydrophobicContact CE2-CB 4.06Å; F632-R714 HydrophobicContact CE2-CG 4.15Å; F632-R714 HydrophobicContact CZ-CB 3.99Å; F632-R714 HydrophobicContact CZ-CG 4.37Å
633	K	94.3	Very high	93.8	Very high	115 Å²	115	72.1 Å²	72.1	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-39.1	176.2	-71.9	163.1	173.9	151.3	0	112.6	E628 G629 S630 Q637	E628-K633 VanDerWaalsContact O-CE 3.24Å; E628-K633 WeakPolarHBondContact O-CE 3.31Å; E628-K633 PolarHBondContact O-NZ 3.24Å; G629-K633 PolarHBondContact O-N 3.39Å; S630-K633 PolarHBondContact O-N 2.79Å; K633-Q637 WeakPolarHBondContact O-CB 3.49Å; K633-Q637 PolarHBondContact O-N 3.12Å
634	E	95.1	Very high	94.1	Very high	85 Å²	85	72.8 Å²	72.8	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-45.8	174.5	-177.8	-172.4	165.9	0	0	112	S630 R631 Q637 R638	S630-E634 WeakPolarHBondContact O-CB 3.31Å; S630-E634 PolarHBondContact O-N 3.35Å; R631-E634 WeakPolarHBondContact CD-OE2 3.39Å; R631-E634 IonicContact CZ-OE2 3.45Å; R631-E634 IonicContact NE-OE2 3.16Å; R631-E634 IonicContact NH1-OE1 2.74Å; R631-E634 PolarHBondContact NH1-OE1 3.46Å; R631-E634 IonicContact NH1-OE2 3.59Å; R631-E634 PolarHBondContact NH1-OE2 2.96Å; R631-E634 PolarHBondContact O-N 3.17Å; E634-Q637 PolarHBondContact O-N 2.99Å; E634-R638 PolarHBondContact O-N 3.48Å
635	L	94.9	Very high	94.4	Very high	10 Å²	10	70.6 Å²	70.6	5%	0.052	33%	0.333	C	S	.	.	H	α-helix	trans	-70.3	-39.7	179.2	-67.9	172.2	0	0	0	112.7	R631 F632 Q637 R638 R639 I703 E706 L707 L710	R631-L635 WeakPolarHBondContact O-CG 3.32Å; R631-L635 PolarHBondContact O-N 3.43Å; R631-L635 VanDerWaalsContact O-N 3.07Å; F632-L635 PolarHBondContact O-N 3.47Å; L635-Q637 VanDerWaalsContact C-N 3.33Å; L635-Q637 PolarHBondContact O-N 3.41Å; L635-R638 PolarHBondContact O-N 3.13Å; L635-R639 VanDerWaalsContact O-CB 3.31Å; L635-R639 WeakPolarHBondContact O-CB 3.29Å; L635-R639 PolarHBondContact O-N 3.48Å; L635-I703 HydrophobicContact CB-CG2 4.22Å; L635-I703 HydrophobicContact CD2-CG1 4.12Å; L635-I703 HydrophobicContact CD2-CG2 4.26Å; L635-E706 HydrophobicContact CD1-CB 4.24Å; L635-E706 HydrophobicContact CD1-CG 3.73Å; L635-E706 HydrophobicContact CD2-CG 4.42Å; L635-L707 HydrophobicContact CB-CD2 3.99Å; L635-L707 HydrophobicContact CB-CG 4.35Å; L635-L707 HydrophobicContact CD1-CD2 3.81Å; L635-L707 HydrophobicContact CD1-CG 4.02Å; L635-L710 HydrophobicContact CD1-CD1 3.48Å; L635-L710 VanDerWaalsContact CD1-CD1 3.48Å
636	D	94.4	Very high	94.5	Very high	77 Å²	77	70 Å²	70	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-59.7	-42	170.9	171	57.6	0	0	0	111.5	F632 R639 K640	F632-D636 WeakPolarHBondContact O-CB 3.28Å; F632-D636 PolarHBondContact O-N 2.93Å; D636-R639 PolarHBondContact O-N 3.44Å; D636-K640 WeakPolarHBondContact O-CG 3.23Å; D636-K640 PolarHBondContact O-N 2.95Å; D636-K640 VanDerWaalsContact OD1-CE 3.23Å; D636-K640 WeakPolarHBondContact OD1-CE 3.31Å; D636-K640 IonicContact OD1-NZ 3.98Å; D636-K640 PolarHBondContact OD1-NZ 3.07Å; D636-K640 WeakPolarHBondContact OD2-CE 3.41Å; D636-K640 IonicContact OD2-NZ 2.68Å; D636-K640 PolarHBondContact OD2-NZ 3.35Å
637	Q	95.2	Very high	94.5	Very high	97 Å²	97	73.3 Å²	73.3	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-67.2	-42	175	-171.9	59.1	55.2	0	0	112.7	K633 E634 L635 R639 K640 N641	K633-Q637 WeakPolarHBondContact O-CB 3.49Å; K633-Q637 PolarHBondContact O-N 3.12Å; E634-Q637 PolarHBondContact O-N 2.99Å; L635-Q637 VanDerWaalsContact C-N 3.33Å; L635-Q637 PolarHBondContact O-N 3.41Å; Q637-R639 VanDerWaalsContact C-N 3.31Å; Q637-R639 PolarHBondContact O-N 2.94Å; Q637-K640 PolarHBondContact O-N 3.46Å; Q637-N641 PolarHBondContact NE2-OD1 3.46Å; Q637-N641 PolarHBondContact O-N 3.2Å; Q637-N641 PolarHBondContact O-OD1 3.47Å
638	R	94.6	Very high	94.5	Very high	91 Å²	91	73 Å²	73	34%	0.343	34%	0.343	S	S	.	.	H	α-helix	trans	-59.4	-43.1	172.4	-77.2	-177.8	65	-172.4	0.2	111.4	E634 L635 K640 N641 I642 E699 I703	E634-R638 PolarHBondContact O-N 3.48Å; L635-R638 PolarHBondContact O-N 3.13Å; R638-K640 PolarHBondContact O-N 3.46Å; R638-N641 WeakPolarHBondContact O-CB 3.41Å; R638-N641 PolarHBondContact O-N 2.86Å; R638-N641 VanDerWaalsContact O-N 3.14Å; R638-I642 WeakPolarHBondContact O-CG1 3.21Å; R638-I642 PolarHBondContact O-N 3.49Å; R638-E699 IonicContact CZ-OE1 3.8Å; R638-E699 IonicContact NE-OE1 3.25Å; R638-E699 PolarHBondContact NE-OE1 2.67Å; R638-E699 VanDerWaalsContact NE-OE1 3.13Å; R638-E699 VanDerWaalsContact NH2-CG 3.34Å; R638-E699 IonicContact NH2-OE1 3.67Å; R638-E699 PolarHBondContact NH2-OE1 3.31Å; R638-I703 HydrophobicContact CB-CD1 3.67Å
639	R	93.6	Very high	94.5	Very high	75 Å²	75	70.8 Å²	70.8	28%	0.283	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-37.4	179.3	-166.3	163.2	-175.1	-99.2	-3.3	112.9	L635 D636 Q637 I642 E643 D700	L635-R639 VanDerWaalsContact O-CB 3.31Å; L635-R639 WeakPolarHBondContact O-CB 3.29Å; L635-R639 PolarHBondContact O-N 3.48Å; D636-R639 PolarHBondContact O-N 3.44Å; Q637-R639 VanDerWaalsContact C-N 3.31Å; Q637-R639 PolarHBondContact O-N 2.94Å; R639-I642 PolarHBondContact O-N 2.86Å; R639-E643 PolarHBondContact O-N 2.88Å; R639-E643 VanDerWaalsContact O-N 3.16Å; R639-D700 IonicContact CZ-OD1 2.71Å; R639-D700 IonicContact NE-OD1 2.64Å; R639-D700 PolarHBondContact NE-OD1 2.84Å; R639-D700 IonicContact NH2-OD1 3.71Å
640	K	94.7	Very high	94.4	Very high	100 Å²	100	73.4 Å²	73.4	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-43.4	169.2	-74	162.7	177.6	167.4	0	111.8	D636 Q637 R638 I642 E643 L644	D636-K640 WeakPolarHBondContact O-CG 3.23Å; D636-K640 PolarHBondContact O-N 2.95Å; D636-K640 VanDerWaalsContact OD1-CE 3.23Å; D636-K640 WeakPolarHBondContact OD1-CE 3.31Å; D636-K640 IonicContact OD1-NZ 3.98Å; D636-K640 PolarHBondContact OD1-NZ 3.07Å; D636-K640 WeakPolarHBondContact OD2-CE 3.41Å; D636-K640 IonicContact OD2-NZ 2.68Å; D636-K640 PolarHBondContact OD2-NZ 3.35Å; Q637-K640 PolarHBondContact O-N 3.46Å; R638-K640 PolarHBondContact O-N 3.46Å; K640-I642 VanDerWaalsContact C-N 3.35Å; K640-I642 PolarHBondContact O-N 3.24Å; K640-E643 PolarHBondContact O-N 3.14Å; K640-L644 WeakPolarHBondContact O-CG 3.42Å; K640-L644 PolarHBondContact O-N 2.95Å
641	N	95.2	Very high	94.3	Very high	77 Å²	77	75.2 Å²	75.2	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-42	176.3	-63.9	-6.3	0	0	0	111.6	Q637 R638 E643 L644 V645	Q637-N641 PolarHBondContact NE2-OD1 3.46Å; Q637-N641 PolarHBondContact O-N 3.2Å; Q637-N641 PolarHBondContact O-OD1 3.47Å; R638-N641 WeakPolarHBondContact O-CB 3.41Å; R638-N641 PolarHBondContact O-N 2.86Å; R638-N641 VanDerWaalsContact O-N 3.14Å; N641-E643 PolarHBondContact O-N 2.76Å; N641-L644 PolarHBondContact O-N 3.19Å; N641-V645 WeakPolarHBondContact O-CG2 3.4Å; N641-V645 PolarHBondContact O-N 3.06Å
642	I	93.7	Very high	94.1	Very high	8 Å²	8	73.1 Å²	73.1	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-48.7	175.7	-73.6	168.9	0	0	0	111.3	R638 R639 K640 L644 V645 R646 L696 E699 D700 I703	R638-I642 WeakPolarHBondContact O-CG1 3.21Å; R638-I642 PolarHBondContact O-N 3.49Å; R639-I642 PolarHBondContact O-N 2.86Å; K640-I642 VanDerWaalsContact C-N 3.35Å; K640-I642 PolarHBondContact O-N 3.24Å; I642-L644 PolarHBondContact O-N 3.07Å; I642-V645 PolarHBondContact O-N 3.27Å; I642-R646 VanDerWaalsContact O-CB 3.29Å; I642-R646 WeakPolarHBondContact O-CB 3.29Å; I642-R646 PolarHBondContact O-N 2.85Å; I642-L696 HydrophobicContact CB-CD2 4.46Å; I642-L696 HydrophobicContact CG1-CD2 4.19Å; I642-L696 HydrophobicContact CG2-CB 4.2Å; I642-L696 HydrophobicContact CG2-CD2 4.22Å; I642-E699 HydrophobicContact CD1-CB 3.85Å; I642-E699 HydrophobicContact CD1-CG 3.76Å; I642-D700 HydrophobicContact CD1-CB 4.4Å; I642-I703 HydrophobicContact CD1-CD1 3.45Å; I642-I703 VanDerWaalsContact CD1-CD1 3.45Å
643	E	93.7	Very high	93.9	Very high	82 Å²	82	73.8 Å²	73.8	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-37.5	-178.9	-162.6	64.9	-167.7	0	0	111.7	R639 K640 N641 V645 R646 E647	R639-E643 PolarHBondContact O-N 2.88Å; R639-E643 VanDerWaalsContact O-N 3.16Å; K640-E643 PolarHBondContact O-N 3.14Å; N641-E643 PolarHBondContact O-N 2.76Å; E643-V645 PolarHBondContact O-N 3.07Å; E643-R646 VanDerWaalsContact CD-NH1 3.34Å; E643-R646 WeakPolarHBondContact O-CB 3.13Å; E643-R646 PolarHBondContact O-N 3.38Å; E643-R646 WeakPolarHBondContact OE1-CD 3.37Å; E643-R646 IonicContact OE1-CZ 3.73Å; E643-R646 IonicContact OE1-NH1 3.96Å; E643-R646 PolarHBondContact OE1-NH1 3.03Å; E643-R646 VanDerWaalsContact OE1-NH1 3.12Å; E643-R646 WeakPolarHBondContact OE2-CD 3.29Å; E643-R646 IonicContact OE2-CZ 2.68Å; E643-R646 IonicContact OE2-NE 3.96Å; E643-R646 IonicContact OE2-NH1 2.65Å; E643-R646 PolarHBondContact OE2-NH1 2.87Å; E643-E647 WeakPolarHBondContact O-CG 3.46Å; E643-E647 PolarHBondContact O-N 2.83Å
644	L	95.2	Very high	93.8	Very high	105 Å²	105	74.5 Å²	74.5	55%	0.55	34%	0.341	S	S	.	.	H	α-helix	trans	-61.3	-43.6	173	-71.1	169.7	0	0	0	112.5	K640 N641 I642 R646 E647 E648	K640-L644 WeakPolarHBondContact O-CG 3.42Å; K640-L644 PolarHBondContact O-N 2.95Å; N641-L644 PolarHBondContact O-N 3.19Å; I642-L644 PolarHBondContact O-N 3.07Å; L644-R646 VanDerWaalsContact C-N 3.31Å; L644-R646 PolarHBondContact O-N 2.97Å; L644-E647 PolarHBondContact O-N 2.77Å; L644-E648 WeakPolarHBondContact O-CB 3.48Å; L644-E648 PolarHBondContact O-N 3.38Å
645	V	94.5	Very high	93.4	Very high	74 Å²	74	75.2 Å²	75.2	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-68.6	-33.3	176.4	179.9	0	0	0	0	111	N641 I642 E643 E648 I649 L696	N641-V645 WeakPolarHBondContact O-CG2 3.4Å; N641-V645 PolarHBondContact O-N 3.06Å; I642-V645 PolarHBondContact O-N 3.27Å; E643-V645 PolarHBondContact O-N 3.07Å; V645-E648 PolarHBondContact O-N 3.4Å; V645-I649 HydrophobicContact CG1-CD1 4.08Å; V645-I649 VanDerWaalsContact O-CG1 3.28Å; V645-I649 WeakPolarHBondContact O-CG1 3.39Å; V645-I649 PolarHBondContact O-N 3.38Å; V645-L696 HydrophobicContact CB-CD1 4.25Å; V645-L696 HydrophobicContact CB-CD2 4.43Å; V645-L696 HydrophobicContact CG1-CD1 4.01Å; V645-L696 HydrophobicContact CG1-CD2 4.33Å
646	R	93.6	Very high	92.9	Very high	93 Å²	93	76.6 Å²	76.6	35%	0.351	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-45.4	175	-171.1	-165.5	-161.4	178	8.5	112.1	I642 E643 L644 E648 I649 E650 L696	I642-R646 VanDerWaalsContact O-CB 3.29Å; I642-R646 WeakPolarHBondContact O-CB 3.29Å; I642-R646 PolarHBondContact O-N 2.85Å; E643-R646 VanDerWaalsContact CD-NH1 3.34Å; E643-R646 WeakPolarHBondContact O-CB 3.13Å; E643-R646 PolarHBondContact O-N 3.38Å; E643-R646 WeakPolarHBondContact OE1-CD 3.37Å; E643-R646 IonicContact OE1-CZ 3.73Å; E643-R646 IonicContact OE1-NH1 3.96Å; E643-R646 PolarHBondContact OE1-NH1 3.03Å; E643-R646 VanDerWaalsContact OE1-NH1 3.12Å; E643-R646 WeakPolarHBondContact OE2-CD 3.29Å; E643-R646 IonicContact OE2-CZ 2.68Å; E643-R646 IonicContact OE2-NE 3.96Å; E643-R646 IonicContact OE2-NH1 2.65Å; E643-R646 PolarHBondContact OE2-NH1 2.87Å; L644-R646 VanDerWaalsContact C-N 3.31Å; L644-R646 PolarHBondContact O-N 2.97Å; R646-E648 VanDerWaalsContact C-N 3.33Å; R646-I649 PolarHBondContact O-N 3.24Å; R646-E650 PolarHBondContact O-N 2.98Å; R646-L696 HydrophobicContact CB-CD1 4.09Å
647	E	94.4	Very high	92.4	Very high	121 Å²	121	77 Å²	77	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-60.7	-42.6	173.3	-74.2	-172.7	155	0	0	111.2	E643 L644 E650 R651	E643-E647 WeakPolarHBondContact O-CG 3.46Å; E643-E647 PolarHBondContact O-N 2.83Å; L644-E647 PolarHBondContact O-N 2.77Å; E647-E650 PolarHBondContact O-N 3.4Å; E647-R651 WeakPolarHBondContact O-CB 3.4Å; E647-R651 PolarHBondContact O-N 2.82Å
648	E	94.1	Very high	91.9	Very high	61 Å²	61	81 Å²	81	29%	0.285	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-38.6	176.4	172.1	59.3	-171.9	0	0	112.7	L644 V645 R646 R651 K652	L644-E648 WeakPolarHBondContact O-CB 3.48Å; L644-E648 PolarHBondContact O-N 3.38Å; V645-E648 PolarHBondContact O-N 3.4Å; R646-E648 VanDerWaalsContact C-N 3.33Å; E648-R651 PolarHBondContact O-N 2.86Å; E648-R651 IonicContact OE1-CZ 2.62Å; E648-R651 IonicContact OE1-NH2 3.83Å; E648-R651 PolarHBondContact OE1-NH2 2.96Å; E648-R651 IonicContact OE2-CZ 2.78Å; E648-R651 IonicContact OE2-NE 3.63Å; E648-R651 PolarHBondContact OE2-NE 3.36Å; E648-R651 IonicContact OE2-NH2 3.18Å; E648-R651 PolarHBondContact OE2-NH2 2.98Å; E648-K652 HydrophobicContact CG-CD 4.41Å; E648-K652 WeakPolarHBondContact O-CB 3.36Å; E648-K652 PolarHBondContact O-N 3.45Å; E648-K652 WeakPolarHBondContact OE1-CD 3.42Å; E648-K652 WeakPolarHBondContact OE1-CE 3.48Å; E648-K652 IonicContact OE1-NZ 2.67Å; E648-K652 PolarHBondContact OE1-NZ 3.44Å
649	I	92.7	Very high	91.3	Very high	10 Å²	10	82.4 Å²	82.4	5%	0.051	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-45.7	172.6	-72.9	166.7	0	0	0	110.8	V645 R646 R651 K652 K653 Y689 R692 L696	V645-I649 HydrophobicContact CG1-CD1 4.08Å; V645-I649 VanDerWaalsContact O-CG1 3.28Å; V645-I649 WeakPolarHBondContact O-CG1 3.39Å; V645-I649 PolarHBondContact O-N 3.38Å; R646-I649 PolarHBondContact O-N 3.24Å; I649-R651 VanDerWaalsContact C-N 3.31Å; I649-R651 PolarHBondContact O-N 3.16Å; I649-K652 PolarHBondContact O-N 3.35Å; I649-K653 VanDerWaalsContact O-CB 3.31Å; I649-K653 WeakPolarHBondContact O-CB 3.34Å; I649-K653 PolarHBondContact O-N 2.63Å; I649-Y689 HydrophobicContact CG2-CD1 4.42Å; I649-Y689 HydrophobicContact CG2-CG 4.37Å; I649-R692 HydrophobicContact CD1-CB 3.79Å; I649-L696 HydrophobicContact CD1-CD1 3.79Å
650	E	92.5	Very high	90.6	Very high	60 Å²	60	84.9 Å²	84.9	28%	0.28	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-37.8	175.6	-75.1	-68.7	155.7	0	0	111.8	R646 E647 K654 K693	R646-E650 PolarHBondContact O-N 2.98Å; E647-E650 PolarHBondContact O-N 3.4Å; E650-K654 WeakPolarHBondContact O-CB 3.28Å; E650-K654 WeakPolarHBondContact O-CD 3.43Å; E650-K654 WeakPolarHBondContact O-CG 3.37Å; E650-K654 PolarHBondContact O-N 2.67Å; E650-K693 IonicContact OE1-NZ 2.61Å; E650-K693 PolarHBondContact OE1-NZ 3.1Å
651	R	93.6	Very high	89.5	Confident	103 Å²	103	81.6 Å²	81.6	39%	0.389	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-46.1	174.6	-168.2	-167.2	66.1	66.6	6.2	111.4	E647 E648 I649 K654 Q655	E647-R651 WeakPolarHBondContact O-CB 3.4Å; E647-R651 PolarHBondContact O-N 2.82Å; E648-R651 PolarHBondContact O-N 2.86Å; E648-R651 IonicContact OE1-CZ 2.62Å; E648-R651 IonicContact OE1-NH2 3.83Å; E648-R651 PolarHBondContact OE1-NH2 2.96Å; E648-R651 IonicContact OE2-CZ 2.78Å; E648-R651 IonicContact OE2-NE 3.63Å; E648-R651 PolarHBondContact OE2-NE 3.36Å; E648-R651 IonicContact OE2-NH2 3.18Å; E648-R651 PolarHBondContact OE2-NH2 2.98Å; I649-R651 VanDerWaalsContact C-N 3.31Å; I649-R651 PolarHBondContact O-N 3.16Å; R651-K654 PolarHBondContact O-N 2.72Å; R651-Q655 PolarHBondContact O-N 3.07Å; R651-Q655 VanDerWaalsContact O-N 3.12Å
652	K	91	Very high	88.1	Confident	73 Å²	73	84.2 Å²	84.2	32%	0.317	39%	0.388	S	S	.	.	H	α-helix	trans	-65.8	-43.8	176.3	-83.4	171.9	160.1	140.8	0	112.4	E648 I649 K654 Q655 W656 Y689	E648-K652 HydrophobicContact CG-CD 4.41Å; E648-K652 WeakPolarHBondContact O-CB 3.36Å; E648-K652 PolarHBondContact O-N 3.45Å; E648-K652 WeakPolarHBondContact OE1-CD 3.42Å; E648-K652 WeakPolarHBondContact OE1-CE 3.48Å; E648-K652 IonicContact OE1-NZ 2.67Å; E648-K652 PolarHBondContact OE1-NZ 3.44Å; I649-K652 PolarHBondContact O-N 3.35Å; K652-K654 VanDerWaalsContact C-N 3.3Å; K652-K654 PolarHBondContact O-N 3.4Å; K652-Q655 WeakPolarHBondContact O-CA 3.01Å; K652-Q655 WeakPolarHBondContact O-CB 3.47Å; K652-Q655 PolarHBondContact O-N 3.42Å; K652-W656 PolarHBondContact O-N 2.71Å; K652-Y689 HydrophobicContact CB-CE1 4.06Å; K652-Y689 HydrophobicContact CB-CE2 3.99Å; K652-Y689 HydrophobicContact CD-CE1 4.15Å
653	K	91.5	Very high	86.3	Confident	32 Å²	32	89.7 Å²	89.7	14%	0.139	42%	0.421	C	S	.	.	H	α-helix	trans	-60.8	-37.7	175.1	-171.7	154.9	-177.1	140.5	0	112	I649 Q655 W656 N657 L686 Y689 D690	I649-K653 VanDerWaalsContact O-CB 3.31Å; I649-K653 WeakPolarHBondContact O-CB 3.34Å; I649-K653 PolarHBondContact O-N 2.63Å; K653-Q655 VanDerWaalsContact C-N 3.33Å; K653-Q655 PolarHBondContact O-N 2.93Å; K653-W656 PolarHBondContact O-N 2.98Å; K653-N657 WeakPolarHBondContact O-CB 3.18Å; K653-N657 PolarHBondContact O-N 2.81Å; K653-N657 PolarHBondContact O-ND2 2.93Å; K653-L686 HydrophobicContact CD-CD2 4.15Å; K653-L686 HydrophobicContact CG-CD2 3.83Å; K653-Y689 HydrophobicContact CB-CD2 4.23Å; K653-D690 IonicContact NZ-OD1 3.47Å; K653-D690 PolarHBondContact NZ-OD1 3.14Å; K653-D690 IonicContact NZ-OD2 3.82Å; K653-D690 PolarHBondContact NZ-OD2 3.23Å
654	K	90.5	Very high	84.3	Confident	130 Å²	130	88.2 Å²	88.2	57%	0.565	43%	0.428	S	S	*	.	H	α-helix	trans	-67.7	-26.2	171.1	-72.5	165	-170.7	169.2	0	113.9	E650 R651 K652	E650-K654 WeakPolarHBondContact O-CB 3.28Å; E650-K654 WeakPolarHBondContact O-CD 3.43Å; E650-K654 WeakPolarHBondContact O-CG 3.37Å; E650-K654 PolarHBondContact O-N 2.67Å; R651-K654 PolarHBondContact O-N 2.72Å; K652-K654 VanDerWaalsContact C-N 3.3Å; K652-K654 PolarHBondContact O-N 3.4Å
655	Q	87.5	Confident	81.9	Confident	101 Å²	101	90 Å²	90	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-77.6	-45.9	172.2	-73.6	-178.6	-45.1	0	0	111.2	R651 K652 K653 N657 K658	R651-Q655 PolarHBondContact O-N 3.07Å; R651-Q655 VanDerWaalsContact O-N 3.12Å; K652-Q655 WeakPolarHBondContact O-CA 3.01Å; K652-Q655 WeakPolarHBondContact O-CB 3.47Å; K652-Q655 PolarHBondContact O-N 3.42Å; K653-Q655 VanDerWaalsContact C-N 3.33Å; K653-Q655 PolarHBondContact O-N 2.93Å; Q655-N657 PolarHBondContact O-N 2.72Å; Q655-K658 WeakPolarHBondContact O-CB 3.37Å; Q655-K658 PolarHBondContact O-N 3.23Å; Q655-K658 VanDerWaalsContact O-N 3.08Å
656	W	84.1	Confident	79.4	Confident	39 Å²	39	91.4 Å²	91.4	15%	0.148	46%	0.458	C	S	.	.	H	α-helix	trans	-63.1	-39.7	177.1	-84.7	78.3	0	0	0	112.5	K652 K653 K658 R659 K660 V677 E681 F682 Q685 Y689	K652-W656 PolarHBondContact O-N 2.71Å; K653-W656 PolarHBondContact O-N 2.98Å; W656-K658 PolarHBondContact O-N 3.1Å; W656-R659 CarbonylContact O-C 3.57Å; W656-R659 WeakPolarHBondContact O-CA 3.39Å; W656-R659 WeakPolarHBondContact O-CB 3.2Å; W656-R659 PolarHBondContact O-N 3.17Å; W656-K660 PolarHBondContact O-N 3.47Å; W656-V677 HydrophobicContact CE3-CG1 4.33Å; W656-V677 HydrophobicContact CH2-CG1 4.17Å; W656-V677 HydrophobicContact CH2-CG2 4.34Å; W656-V677 HydrophobicContact CZ3-CG1 3.53Å; W656-V677 HydrophobicContact CZ3-CG2 4.32Å; W656-E681 HydrophobicContact CH2-CG 4.07Å; W656-E681 HydrophobicContact CZ3-CG 4.21Å; W656-F682 HydrophobicContact CE3-CD2 4.37Å; W656-F682 WeakPolarHBondContact O-CE2 3.34Å; W656-Q685 HydrophobicContact CD2-CB 4.14Å; W656-Q685 HydrophobicContact CD2-CG 3.6Å; W656-Q685 HydrophobicContact CE3-CB 3.87Å; W656-Q685 HydrophobicContact CE3-CG 3.88Å; W656-Q685 HydrophobicContact CG-CG 4.14Å; W656-Q685 HydrophobicContact CH2-CB 4.06Å; W656-Q685 HydrophobicContact CH2-CG 4.04Å; W656-Q685 HydrophobicContact CZ2-CB 4.31Å; W656-Q685 HydrophobicContact CZ2-CG 3.77Å; W656-Q685 HydrophobicContact CZ3-CB 3.81Å; W656-Q685 HydrophobicContact CZ3-CG 4.07Å; W656-Y689 HydrophobicContact CB-CE2 4.48Å; W656-Y689 AromaticContact CD1-CE2 3.7Å; W656-Y689 HydrophobicContact CG-CE2 4.07Å; W656-Y689 PolarHBondContact NE1-OH 2.88Å
657	N	84.4	Confident	77.2	Confident	84 Å²	84	95.7 Å²	95.7	45%	0.449	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-58.4	-19.3	173.2	-76.8	-14.7	0	0	0	114.5	K653 Q655	K653-N657 WeakPolarHBondContact O-CB 3.18Å; K653-N657 PolarHBondContact O-N 2.81Å; K653-N657 PolarHBondContact O-ND2 2.93Å; Q655-N657 PolarHBondContact O-N 2.72Å
658	K	85.2	Confident	74.7	Confident	182 Å²	182	99.6 Å²	99.6	79%	0.791	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-82.6	-17.2	172	-63.5	178	-179.8	-170.4	0	113.5	Q655 W656	Q655-K658 WeakPolarHBondContact O-CB 3.37Å; Q655-K658 PolarHBondContact O-N 3.23Å; Q655-K658 VanDerWaalsContact O-N 3.08Å; W656-K658 PolarHBondContact O-N 3.1Å
659	R	81.5	Confident	72.4	Confident	120 Å²	120	102.1 Å²	102.1	45%	0.453	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-97	12.7	175.6	-67.5	-175.9	158.3	-156.1	-7.8	112.6	W656 P661 D675	W656-R659 CarbonylContact O-C 3.57Å; W656-R659 WeakPolarHBondContact O-CA 3.39Å; W656-R659 WeakPolarHBondContact O-CB 3.2Å; W656-R659 PolarHBondContact O-N 3.17Å; R659-P661 WeakPolarHBondContact O-CD 3.12Å; R659-D675 IonicContact CZ-OD1 3.38Å; R659-D675 IonicContact NH1-OD1 3.94Å; R659-D675 IonicContact NH2-OD1 2.63Å; R659-D675 PolarHBondContact NH2-OD1 3.12Å
660	K	79.3	Confident	70	Confident	127 Å²	127	108.6 Å²	108.6	55%	0.552	56%	0.558	S	S	*	*			trans	-59	119.1	-178.9	-177.6	178	179.9	-174.7	0	110.1	W656 F682	W656-K660 PolarHBondContact O-N 3.47Å; K660-F682 HydrophobicContact CB-CD2 4.41Å; K660-F682 HydrophobicContact CB-CE1 4.43Å; K660-F682 HydrophobicContact CB-CE2 3.67Å; K660-F682 HydrophobicContact CB-CZ 3.68Å; K660-F682 HydrophobicContact CD-CE1 4.4Å; K660-F682 HydrophobicContact CD-CZ 4.11Å; K660-F682 HydrophobicContact CG-CE1 3.92Å; K660-F682 HydrophobicContact CG-CE2 4.08Å; K660-F682 HydrophobicContact CG-CZ 3.62Å
661	P	71.9	Confident	67.6	Low	31 Å²	31	114.8 Å²	114.8	20%	0.201	58%	0.584	C	S	.	*			trans	-65.7	137.1	179.9	21.9	-28.7	0	0	0	111.1	R659 V663 V679 F682	R659-P661 WeakPolarHBondContact O-CD 3.12Å; P661-V663 PolarHBondContact O-N 3.29Å; P661-V663 VanDerWaalsContact O-N 3.14Å; P661-V679 HydrophobicContact CB-CG2 4.17Å; P661-V679 HydrophobicContact CG-CB 4.32Å; P661-V679 HydrophobicContact CG-CG2 3.86Å; P661-F682 HydrophobicContact CG-CB 4.32Å
662	N	65.3	Low	65.1	Low	132 Å²	132	114.9 Å²	114.9	71%	0.706	60%	0.601	S	S	*	*			trans	-84.5	89.9	-173.8	-169.4	50.2	0	0	0	111.3	G664	N662-G664 PolarHBondContact ND2-O 3.15Å; N662-G664 PolarHBondContact O-N 3.04Å
663	V	56.4	Low	62.8	Low	123 Å²	123	120.7 Å²	120.7	75%	0.745	63%	0.626	S	S	*	*	S	Bend	trans	-73.6	69.7	175.6	-171	0	0	0	0	110	P661 V679	P661-V663 PolarHBondContact O-N 3.29Å; P661-V663 VanDerWaalsContact O-N 3.14Å; V663-V679 HydrophobicContact CG2-CG2 4.49Å
664	G	50.8	Low	60.6	Low	52 Å²	52	130 Å²	130	54%	0.536	66%	0.662	S	S	.	*	S	Bend	trans	154.6	59.1	-177.6	0	0	0	0	0	115.4	N662	N662-G664 PolarHBondContact ND2-O 3.15Å; N662-G664 PolarHBondContact O-N 3.04Å
665	D	44.7	Very low	59	Low	141 Å²	141	129.2 Å²	129.2	75%	0.754	66%	0.664	S	S	*	*			trans	-171.6	102.3	137	-112.9	-32.8	0	0	0	112.5	K667	D665-K667 VanDerWaalsContact C-N 3.29Å; D665-K667 PolarHBondContact O-N 3.07Å
666	A	42.3	Very low	57.7	Low	104 Å²	104	133.3 Å²	133.3	86%	0.86	68%	0.683	S	S	*	*			trans	-83.7	61.6	-179.2	0	0	0	0	0	112.3
667	K	46.5	Very low	57	Low	183 Å²	183	132.2 Å²	132.2	80%	0.796	68%	0.681	S	S	*	*			trans	-155.4	114.9	175	-106	146.1	-171.3	170.6	0	114.7	D665	D665-K667 VanDerWaalsContact C-N 3.29Å; D665-K667 PolarHBondContact O-N 3.07Å
668	K	43.3	Very low	56.8	Low	204 Å²	204	130.9 Å²	130.9	89%	0.887	68%	0.678	S	S	*	*			trans	59.2	97.4	154.9	-58.5	179.9	176.9	-178.5	0	118.8
669	S	45.1	Very low	56.7	Low	113 Å²	113	125 Å²	125	79%	0.79	66%	0.658	S	S	*	*				-167.2	116.6	125.2	-171.2	0	0	0	0	111.7	K671	S669-K671 PolarHBondContact O-N 3.32Å
670	T	42.1	Very low	56.9	Low	146 Å²	146	125.1 Å²	125.1	90%	0.896	67%	0.667	S	S	*	*			trans	-91.5	90.3	174.8	47.8	0	0	0	0	111.3
671	K	42	Very low	57.3	Low	190 Å²	190	123.1 Å²	123.1	83%	0.826	66%	0.66	S	S	*	*			trans	-157.6	156.6	164.7	-115.6	168.7	-177.5	177.5	0	111.7	S669	S669-K671 PolarHBondContact O-N 3.32Å
672	S	41.3	Very low	58.1	Low	105 Å²	105	121.9 Å²	121.9	73%	0.734	65%	0.651	S	S	*	*			trans	52.6	81.9	-178.1	51.9	0	0	0	0	116.5	Y674	S672-Y674 VanDerWaalsContact C-N 3.34Å; S672-Y674 PolarHBondContact O-N 3.22Å
673	K	42.5	Very low	59.2	Low	195 Å²	195	121.5 Å²	121.5	85%	0.848	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	39	-176.3	-158.8	-165.6	178	-174.4	0	114.5
674	Y	45.2	Very low	60.8	Low	228 Å²	228	121.7 Å²	121.7	89%	0.894	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.1	6.5	-168.4	-83	-70.3	0	0	0	117	S672	S672-Y674 VanDerWaalsContact C-N 3.34Å; S672-Y674 PolarHBondContact O-N 3.22Å
675	D	57.3	Low	62.7	Low	113 Å²	113	121.2 Å²	121.2	60%	0.604	62%	0.617	S	S	*	*			trans	-138.4	11.4	-174.5	-121.6	-45.1	0	0	0	113.9	R659 V677	R659-D675 IonicContact CZ-OD1 3.38Å; R659-D675 IonicContact NH1-OD1 3.94Å; R659-D675 IonicContact NH2-OD1 2.63Å; R659-D675 PolarHBondContact NH2-OD1 3.12Å; D675-V677 PolarHBondContact O-N 2.8Å
676	E	61	Low	64.8	Low	187 Å²	187	115.6 Å²	115.6	87%	0.874	59%	0.587	S	S	*	*			trans	-82.3	106.2	176.8	-70	-172.2	135	0	0	110.9
677	V	68.7	Low	67.2	Low	16 Å²	16	115.3 Å²	115.3	10%	0.097	57%	0.568	C	S	.	*			trans	-73	137.8	172.2	165.2	0	0	0	0	110.1	W656 D675 E681 F682	W656-V677 HydrophobicContact CE3-CG1 4.33Å; W656-V677 HydrophobicContact CH2-CG1 4.17Å; W656-V677 HydrophobicContact CH2-CG2 4.34Å; W656-V677 HydrophobicContact CZ3-CG1 3.53Å; W656-V677 HydrophobicContact CZ3-CG2 4.32Å; D675-V677 PolarHBondContact O-N 2.8Å; V677-E681 WeakPolarHBondContact CA-OE2 3.41Å; V677-E681 HydrophobicContact CG1-CB 4.14Å; V677-E681 HydrophobicContact CG1-CG 4.1Å; V677-F682 HydrophobicContact CG1-CB 3.98Å
678	S	81.3	Confident	69.4	Low	56 Å²	56	109 Å²	109	39%	0.392	54%	0.542	S	S	.	.			trans	-66.5	154.6	177.9	-173.3	0	0	0	0	112.1	D680 E681 F682	S678-D680 PolarHBondContact O-N 2.96Å; S678-D680 PolarHBondContact OG-N 2.9Å; S678-E681 PolarHBondContact N-OE2 2.85Å; S678-E681 PolarHBondContact O-N 2.68Å; S678-F682 WeakPolarHBondContact O-CB 3.38Å; S678-F682 PolarHBondContact O-N 3.39Å
679	V	82	Confident	71.8	Confident	60 Å²	60	99.7 Å²	99.7	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-57.4	-43	171.6	-177.9	0	0	0	0	110.4	P661 V663 Y683	P661-V679 HydrophobicContact CB-CG2 4.17Å; P661-V679 HydrophobicContact CG-CB 4.32Å; P661-V679 HydrophobicContact CG-CG2 3.86Å; V663-V679 HydrophobicContact CG2-CG2 4.49Å; V679-Y683 HydrophobicContact CG1-CD2 3.99Å; V679-Y683 HydrophobicContact CG1-CE2 3.83Å; V679-Y683 WeakPolarHBondContact O-CD2 3.44Å; V679-Y683 PolarHBondContact O-N 2.96Å
680	D	86.8	Confident	74.1	Confident	121 Å²	121	96.9 Å²	96.9	65%	0.647	48%	0.478	S	S	*	.	H	α-helix	trans	-68.2	-48.1	-179.7	-49.2	-54.3	0	0	0	111.1	S678 F682 Y683 E684	S678-D680 PolarHBondContact O-N 2.96Å; S678-D680 PolarHBondContact OG-N 2.9Å; D680-F682 VanDerWaalsContact C-N 3.29Å; D680-F682 PolarHBondContact O-N 2.78Å; D680-Y683 PolarHBondContact O-N 3.15Å; D680-Y683 VanDerWaalsContact O-N 3.12Å; D680-E684 WeakPolarHBondContact O-CB 3.23Å; D680-E684 PolarHBondContact O-N 3.24Å
681	E	87.8	Confident	76.6	Confident	86 Å²	86	94 Å²	94	40%	0.402	46%	0.457	S	S	.	.	H	α-helix	trans	-57	-40.4	176.7	-175.2	-166.2	173.1	0	0	112.1	W656 V677 S678 Q685	W656-E681 HydrophobicContact CH2-CG 4.07Å; W656-E681 HydrophobicContact CZ3-CG 4.21Å; V677-E681 WeakPolarHBondContact CA-OE2 3.41Å; V677-E681 HydrophobicContact CG1-CB 4.14Å; V677-E681 HydrophobicContact CG1-CG 4.1Å; S678-E681 PolarHBondContact N-OE2 2.85Å; S678-E681 PolarHBondContact O-N 2.68Å; E681-Q685 WeakPolarHBondContact O-CB 3.39Å; E681-Q685 PolarHBondContact O-N 2.96Å
682	F	87.8	Confident	79.1	Confident	4 Å²	4	92 Å²	92	2%	0.018	44%	0.444	C	S	.	.	H	α-helix	trans	-61.9	-46.3	175.5	171.6	-94.7	0	0	0	112.1	W656 K660 P661 V677 S678 D680 L686	W656-F682 HydrophobicContact CE3-CD2 4.37Å; W656-F682 WeakPolarHBondContact O-CE2 3.34Å; K660-F682 HydrophobicContact CB-CD2 4.41Å; K660-F682 HydrophobicContact CB-CE1 4.43Å; K660-F682 HydrophobicContact CB-CE2 3.67Å; K660-F682 HydrophobicContact CB-CZ 3.68Å; K660-F682 HydrophobicContact CD-CE1 4.4Å; K660-F682 HydrophobicContact CD-CZ 4.11Å; K660-F682 HydrophobicContact CG-CE1 3.92Å; K660-F682 HydrophobicContact CG-CE2 4.08Å; K660-F682 HydrophobicContact CG-CZ 3.62Å; P661-F682 HydrophobicContact CG-CB 4.32Å; V677-F682 HydrophobicContact CG1-CB 3.98Å; S678-F682 WeakPolarHBondContact O-CB 3.38Å; S678-F682 PolarHBondContact O-N 3.39Å; D680-F682 VanDerWaalsContact C-N 3.29Å; D680-F682 PolarHBondContact O-N 2.78Å; F682-L686 HydrophobicContact CD1-CD1 4.16Å; F682-L686 HydrophobicContact CE1-CD1 3.48Å; F682-L686 VanDerWaalsContact CE1-CD1 3.48Å; F682-L686 HydrophobicContact CE1-CG 4.44Å; F682-L686 HydrophobicContact CE2-CD1 4.22Å; F682-L686 HydrophobicContact CZ-CD1 3.51Å; F682-L686 HydrophobicContact CZ-CG 4.31Å; F682-L686 WeakPolarHBondContact O-CG 3.36Å; F682-L686 PolarHBondContact O-N 2.95Å; F682-L686 VanDerWaalsContact O-N 3.15Å
683	Y	88.8	Confident	81.5	Confident	124 Å²	124	89 Å²	89	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-75.4	-38.4	179.8	-73.8	-63.5	0	0	0	112.6	V679 D680 Q685 L686 E687	V679-Y683 HydrophobicContact CG1-CD2 3.99Å; V679-Y683 HydrophobicContact CG1-CE2 3.83Å; V679-Y683 WeakPolarHBondContact O-CD2 3.44Å; V679-Y683 PolarHBondContact O-N 2.96Å; D680-Y683 PolarHBondContact O-N 3.15Å; D680-Y683 VanDerWaalsContact O-N 3.12Å; Y683-Q685 PolarHBondContact O-N 3.27Å; Y683-L686 HydrophobicContact CD1-CD1 4.33Å; Y683-L686 PolarHBondContact O-N 3.23Å; Y683-E687 PolarHBondContact O-N 3.09Å
684	E	90.7	Very high	83.9	Confident	127 Å²	127	85 Å²	85	59%	0.593	40%	0.402	S	S	*	.	H	α-helix	trans	-56.4	-49.7	172.9	-172.5	-166.2	144.9	0	0	110.7	D680 L686 E687 I688	D680-E684 WeakPolarHBondContact O-CB 3.23Å; D680-E684 PolarHBondContact O-N 3.24Å; E684-L686 VanDerWaalsContact C-N 3.32Å; E684-L686 PolarHBondContact O-N 3.28Å; E684-E687 PolarHBondContact O-N 3.37Å; E684-I688 HydrophobicContact CG-CD1 4.04Å; E684-I688 WeakPolarHBondContact O-CG1 3.42Å; E684-I688 PolarHBondContact O-N 2.7Å
685	Q	89.8	Confident	86.3	Confident	43 Å²	43	79.7 Å²	79.7	20%	0.201	39%	0.386	C	S	.	.	H	α-helix	trans	-69.6	-29.3	-179.7	-177.9	58.6	117.4	0	0	112.5	W656 E681 Y683 Y689	W656-Q685 HydrophobicContact CD2-CB 4.14Å; W656-Q685 HydrophobicContact CD2-CG 3.6Å; W656-Q685 HydrophobicContact CE3-CB 3.87Å; W656-Q685 HydrophobicContact CE3-CG 3.88Å; W656-Q685 HydrophobicContact CG-CG 4.14Å; W656-Q685 HydrophobicContact CH2-CB 4.06Å; W656-Q685 HydrophobicContact CH2-CG 4.04Å; W656-Q685 HydrophobicContact CZ2-CB 4.31Å; W656-Q685 HydrophobicContact CZ2-CG 3.77Å; W656-Q685 HydrophobicContact CZ3-CB 3.81Å; W656-Q685 HydrophobicContact CZ3-CG 4.07Å; E681-Q685 WeakPolarHBondContact O-CB 3.39Å; E681-Q685 PolarHBondContact O-N 2.96Å; Y683-Q685 PolarHBondContact O-N 3.27Å; Q685-Y689 VanDerWaalsContact CD-OH 3.26Å; Q685-Y689 HydrophobicContact CG-CD2 4.35Å; Q685-Y689 HydrophobicContact CG-CE2 3.65Å; Q685-Y689 VanDerWaalsContact NE2-CZ 3.33Å; Q685-Y689 WeakPolarHBondContact O-CD2 3.33Å; Q685-Y689 PolarHBondContact O-N 2.99Å; Q685-Y689 PolarHBondContact OE1-OH 3.47Å; Q685-Y689 VanDerWaalsContact OE1-OH 3.11Å
686	L	89.6	Confident	88.1	Confident	23 Å²	23	75.3 Å²	75.3	12%	0.12	36%	0.363	C	S	.	.	H	α-helix	trans	-65.9	-42.3	169.7	-77.8	-177.7	0	0	0	112.6	K653 F682 Y683 E684 Y689 D690	K653-L686 HydrophobicContact CD-CD2 4.15Å; K653-L686 HydrophobicContact CG-CD2 3.83Å; F682-L686 HydrophobicContact CD1-CD1 4.16Å; F682-L686 HydrophobicContact CE1-CD1 3.48Å; F682-L686 VanDerWaalsContact CE1-CD1 3.48Å; F682-L686 HydrophobicContact CE1-CG 4.44Å; F682-L686 HydrophobicContact CE2-CD1 4.22Å; F682-L686 HydrophobicContact CZ-CD1 3.51Å; F682-L686 HydrophobicContact CZ-CG 4.31Å; F682-L686 WeakPolarHBondContact O-CG 3.36Å; F682-L686 PolarHBondContact O-N 2.95Å; F682-L686 VanDerWaalsContact O-N 3.15Å; Y683-L686 HydrophobicContact CD1-CD1 4.33Å; Y683-L686 PolarHBondContact O-N 3.23Å; E684-L686 VanDerWaalsContact C-N 3.32Å; E684-L686 PolarHBondContact O-N 3.28Å; L686-Y689 PolarHBondContact O-N 3.03Å; L686-D690 PolarHBondContact O-N 3.47Å
687	E	92.1	Very high	89.7	Confident	97 Å²	97	69.4 Å²	69.4	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-66	-43.9	177.8	-174.2	56.8	-151.5	0	0	110.8	Y683 E684 Y689 D690 L691	Y683-E687 PolarHBondContact O-N 3.09Å; E684-E687 PolarHBondContact O-N 3.37Å; E687-Y689 PolarHBondContact O-N 2.92Å; E687-D690 PolarHBondContact O-N 3.39Å; E687-L691 HydrophobicContact CG-CD1 3.99Å; E687-L691 HydrophobicContact CG-CG 4.24Å; E687-L691 WeakPolarHBondContact O-CB 3.44Å; E687-L691 WeakPolarHBondContact O-CG 3.34Å; E687-L691 PolarHBondContact O-N 3.11Å; E687-L691 WeakPolarHBondContact OE1-CG 3.46Å
688	I	92.9	Very high	90.9	Very high	51 Å²	51	74 Å²	74	26%	0.262	36%	0.358	S	S	.	.	H	α-helix	trans	-54.9	-37.1	172.2	-70.6	166.8	0	0	0	111.7	E684 R692	E684-I688 HydrophobicContact CG-CD1 4.04Å; E684-I688 WeakPolarHBondContact O-CG1 3.42Å; E684-I688 PolarHBondContact O-N 2.7Å; I688-R692 WeakPolarHBondContact O-CB 3.4Å; I688-R692 WeakPolarHBondContact O-CD 2.99Å; I688-R692 WeakPolarHBondContact O-CG 3.02Å; I688-R692 PolarHBondContact O-N 3.16Å; I688-R692 VanDerWaalsContact O-N 3.13Å
689	Y	93.7	Very high	91.5	Very high	9 Å²	9	74 Å²	74	4%	0.035	35%	0.352	C	S	.	.	H	α-helix	trans	-73	-38.6	176	-69.5	-34.4	0	0	0	113.2	I649 K652 K653 W656 Q685 L686 E687 K693	I649-Y689 HydrophobicContact CG2-CD1 4.42Å; I649-Y689 HydrophobicContact CG2-CG 4.37Å; K652-Y689 HydrophobicContact CB-CE1 4.06Å; K652-Y689 HydrophobicContact CB-CE2 3.99Å; K652-Y689 HydrophobicContact CD-CE1 4.15Å; K653-Y689 HydrophobicContact CB-CD2 4.23Å; W656-Y689 HydrophobicContact CB-CE2 4.48Å; W656-Y689 AromaticContact CD1-CE2 3.7Å; W656-Y689 HydrophobicContact CG-CE2 4.07Å; W656-Y689 PolarHBondContact NE1-OH 2.88Å; Q685-Y689 VanDerWaalsContact CD-OH 3.26Å; Q685-Y689 HydrophobicContact CG-CD2 4.35Å; Q685-Y689 HydrophobicContact CG-CE2 3.65Å; Q685-Y689 VanDerWaalsContact NE2-CZ 3.33Å; Q685-Y689 WeakPolarHBondContact O-CD2 3.33Å; Q685-Y689 PolarHBondContact O-N 2.99Å; Q685-Y689 PolarHBondContact OE1-OH 3.47Å; Q685-Y689 VanDerWaalsContact OE1-OH 3.11Å; L686-Y689 PolarHBondContact O-N 3.03Å; E687-Y689 PolarHBondContact O-N 2.92Å; Y689-K693 VanDerWaalsContact O-CB 3.26Å; Y689-K693 WeakPolarHBondContact O-CB 3.3Å; Y689-K693 PolarHBondContact O-N 3.45Å
690	D	92.8	Very high	92.1	Very high	54 Å²	54	73.8 Å²	73.8	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-74.9	-34.6	177.7	-76.6	-19.2	0	0	0	112.5	K653 L686 E687 K693 Q694	K653-D690 IonicContact NZ-OD1 3.47Å; K653-D690 PolarHBondContact NZ-OD1 3.14Å; K653-D690 IonicContact NZ-OD2 3.82Å; K653-D690 PolarHBondContact NZ-OD2 3.23Å; L686-D690 PolarHBondContact O-N 3.47Å; E687-D690 PolarHBondContact O-N 3.39Å; D690-K693 WeakPolarHBondContact O-CB 3.38Å; D690-K693 PolarHBondContact O-N 2.89Å; D690-Q694 VanDerWaalsContact O-CG 3.31Å; D690-Q694 WeakPolarHBondContact O-CG 3.42Å; D690-Q694 PolarHBondContact O-N 2.79Å
691	L	94.3	Very high	92.4	Very high	86 Å²	86	74.2 Å²	74.2	45%	0.45	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-47.1	169.9	-71.2	172.7	0	0	0	111.9	E687 K693 Q694 M695	E687-L691 HydrophobicContact CG-CD1 3.99Å; E687-L691 HydrophobicContact CG-CG 4.24Å; E687-L691 WeakPolarHBondContact O-CB 3.44Å; E687-L691 WeakPolarHBondContact O-CG 3.34Å; E687-L691 PolarHBondContact O-N 3.11Å; E687-L691 WeakPolarHBondContact OE1-CG 3.46Å; L691-K693 VanDerWaalsContact C-N 3.27Å; L691-K693 PolarHBondContact O-N 3.17Å; L691-Q694 WeakPolarHBondContact O-CB 3.31Å; L691-Q694 PolarHBondContact O-N 2.79Å; L691-Q694 VanDerWaalsContact O-N 3.16Å; L691-M695 PolarHBondContact O-N 3.46Å
692	R	94.1	Very high	92.7	Very high	146 Å²	146	73.8 Å²	73.8	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-59.7	-39.7	174.2	-74.5	173.1	-172.2	-159	4.6	111.7	I649 I688 M695 L696	I649-R692 HydrophobicContact CD1-CB 3.79Å; I688-R692 WeakPolarHBondContact O-CB 3.4Å; I688-R692 WeakPolarHBondContact O-CD 2.99Å; I688-R692 WeakPolarHBondContact O-CG 3.02Å; I688-R692 PolarHBondContact O-N 3.16Å; I688-R692 VanDerWaalsContact O-N 3.13Å; R692-M695 PolarHBondContact O-N 3.02Å; R692-L696 WeakPolarHBondContact O-CG 3.37Å; R692-L696 PolarHBondContact O-N 3.39Å
693	K	92.9	Very high	93.1	Very high	42 Å²	42	73.6 Å²	73.6	18%	0.183	34%	0.342	C	S	.	.	H	α-helix	trans	-66.9	-34.7	176.4	-175.9	173.9	176.7	175.8	0	112.7	E650 Y689 D690 L691 V697	E650-K693 IonicContact OE1-NZ 2.61Å; E650-K693 PolarHBondContact OE1-NZ 3.1Å; Y689-K693 VanDerWaalsContact O-CB 3.26Å; Y689-K693 WeakPolarHBondContact O-CB 3.3Å; Y689-K693 PolarHBondContact O-N 3.45Å; D690-K693 WeakPolarHBondContact O-CB 3.38Å; D690-K693 PolarHBondContact O-N 2.89Å; L691-K693 VanDerWaalsContact C-N 3.27Å; L691-K693 PolarHBondContact O-N 3.17Å; K693-V697 WeakPolarHBondContact O-CG2 3.49Å; K693-V697 PolarHBondContact O-N 2.93Å
694	Q	93.4	Very high	93.3	Very high	111 Å²	111	70.4 Å²	70.4	52%	0.519	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-40.4	170.8	-72.2	174.9	62.2	0	0	111.7	D690 L691 V697 K698	D690-Q694 VanDerWaalsContact O-CG 3.31Å; D690-Q694 WeakPolarHBondContact O-CG 3.42Å; D690-Q694 PolarHBondContact O-N 2.79Å; L691-Q694 WeakPolarHBondContact O-CB 3.31Å; L691-Q694 PolarHBondContact O-N 2.79Å; L691-Q694 VanDerWaalsContact O-N 3.16Å; Q694-V697 PolarHBondContact O-N 2.9Å; Q694-K698 PolarHBondContact O-N 3.09Å
695	M	94.4	Very high	93.3	Very high	117 Å²	117	70.1 Å²	70.1	58%	0.576	33%	0.332	S	S	*	.	H	α-helix	trans	-63.7	-42.8	175.1	-68	-61.5	101.8	0	0	112.6	L691 R692 V697 K698 E699	L691-M695 PolarHBondContact O-N 3.46Å; R692-M695 PolarHBondContact O-N 3.02Å; M695-V697 VanDerWaalsContact C-N 3.26Å; M695-V697 PolarHBondContact O-N 3.35Å; M695-K698 WeakPolarHBondContact O-CA 3.2Å; M695-K698 WeakPolarHBondContact O-CB 3.47Å; M695-K698 PolarHBondContact O-N 3.44Å; M695-E699 PolarHBondContact O-N 3.3Å
696	L	94.5	Very high	93.5	Very high	21 Å²	21	70.9 Å²	70.9	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-35.4	173.2	-67.9	177.9	0	0	0	112.7	I642 V645 R646 I649 R692 K698 E699 D700	I642-L696 HydrophobicContact CB-CD2 4.46Å; I642-L696 HydrophobicContact CG1-CD2 4.19Å; I642-L696 HydrophobicContact CG2-CB 4.2Å; I642-L696 HydrophobicContact CG2-CD2 4.22Å; V645-L696 HydrophobicContact CB-CD1 4.25Å; V645-L696 HydrophobicContact CB-CD2 4.43Å; V645-L696 HydrophobicContact CG1-CD1 4.01Å; V645-L696 HydrophobicContact CG1-CD2 4.33Å; R646-L696 HydrophobicContact CB-CD1 4.09Å; I649-L696 HydrophobicContact CD1-CD1 3.79Å; R692-L696 WeakPolarHBondContact O-CG 3.37Å; R692-L696 PolarHBondContact O-N 3.39Å; L696-K698 VanDerWaalsContact C-N 3.31Å; L696-E699 PolarHBondContact O-N 2.78Å; L696-D700 PolarHBondContact O-N 3.18Å
697	V	94.5	Very high	93.7	Very high	64 Å²	64	71.8 Å²	71.8	39%	0.388	34%	0.34	S	S	.	.	H	α-helix	trans	-73.2	-21.9	175.1	169.7	0	0	0	0	112.5	K693 Q694 M695 K701	K693-V697 WeakPolarHBondContact O-CG2 3.49Å; K693-V697 PolarHBondContact O-N 2.93Å; Q694-V697 PolarHBondContact O-N 2.9Å; M695-V697 VanDerWaalsContact C-N 3.26Å; M695-V697 PolarHBondContact O-N 3.35Å; V697-K701 WeakPolarHBondContact O-CD 3.42Å; V697-K701 VanDerWaalsContact O-CG 3.26Å; V697-K701 WeakPolarHBondContact O-CG 3.33Å
698	K	94.8	Very high	93.6	Very high	112 Å²	112	69.6 Å²	69.6	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-74.5	-45.6	168	-177.1	177.2	178.3	-71.7	0	110.5	Q694 M695 L696 K701 E702	Q694-K698 PolarHBondContact O-N 3.09Å; M695-K698 WeakPolarHBondContact O-CA 3.2Å; M695-K698 WeakPolarHBondContact O-CB 3.47Å; M695-K698 PolarHBondContact O-N 3.44Å; L696-K698 VanDerWaalsContact C-N 3.31Å; K698-K701 WeakPolarHBondContact O-CB 2.79Å; K698-K701 PolarHBondContact O-N 2.97Å; K698-E702 WeakPolarHBondContact CE-OE1 3.37Å; K698-E702 WeakPolarHBondContact CG-OE1 3.43Å; K698-E702 IonicContact NZ-OE1 3.42Å; K698-E702 PolarHBondContact NZ-OE1 3.35Å; K698-E702 IonicContact NZ-OE2 3.81Å; K698-E702 WeakPolarHBondContact O-CG 3.42Å; K698-E702 PolarHBondContact O-N 3.31Å
699	E	94	Very high	93.5	Very high	56 Å²	56	71.7 Å²	71.7	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-42.8	-179.3	-160.7	-171.7	168.2	0	0	113	R638 I642 M695 L696 K701 E702 I703	R638-E699 IonicContact CZ-OE1 3.8Å; R638-E699 IonicContact NE-OE1 3.25Å; R638-E699 PolarHBondContact NE-OE1 2.67Å; R638-E699 VanDerWaalsContact NE-OE1 3.13Å; R638-E699 VanDerWaalsContact NH2-CG 3.34Å; R638-E699 IonicContact NH2-OE1 3.67Å; R638-E699 PolarHBondContact NH2-OE1 3.31Å; I642-E699 HydrophobicContact CD1-CB 3.85Å; I642-E699 HydrophobicContact CD1-CG 3.76Å; M695-E699 PolarHBondContact O-N 3.3Å; L696-E699 PolarHBondContact O-N 2.78Å; E699-K701 VanDerWaalsContact C-N 3.27Å; E699-K701 PolarHBondContact O-N 3.14Å; E699-E702 PolarHBondContact O-N 2.75Å; E699-E702 VanDerWaalsContact O-N 3.14Å; E699-I703 HydrophobicContact CG-CD1 4.27Å; E699-I703 WeakPolarHBondContact O-CG1 3.45Å; E699-I703 PolarHBondContact O-N 3.44Å
700	D	93.9	Very high	93.5	Very high	55 Å²	55	71.3 Å²	71.3	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-32.5	176.2	-178	65.3	0	0	0	111.8	R639 I642 L696 Q704	R639-D700 IonicContact CZ-OD1 2.71Å; R639-D700 IonicContact NE-OD1 2.64Å; R639-D700 PolarHBondContact NE-OD1 2.84Å; R639-D700 IonicContact NH2-OD1 3.71Å; I642-D700 HydrophobicContact CD1-CB 4.4Å; L696-D700 PolarHBondContact O-N 3.18Å; D700-Q704 VanDerWaalsContact O-CB 3.31Å; D700-Q704 WeakPolarHBondContact O-CB 3.49Å; D700-Q704 PolarHBondContact O-N 3Å
701	K	93.9	Very high	93.4	Very high	130 Å²	130	71.2 Å²	71.2	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-68.6	-40.8	171.8	-72.7	171.9	-176.2	177.6	0	112.5	V697 K698 E699 Q704 M705	V697-K701 WeakPolarHBondContact O-CD 3.42Å; V697-K701 VanDerWaalsContact O-CG 3.26Å; V697-K701 WeakPolarHBondContact O-CG 3.33Å; K698-K701 WeakPolarHBondContact O-CB 2.79Å; K698-K701 PolarHBondContact O-N 2.97Å; E699-K701 VanDerWaalsContact C-N 3.27Å; E699-K701 PolarHBondContact O-N 3.14Å; K701-Q704 PolarHBondContact O-N 3.22Å; K701-M705 WeakPolarHBondContact O-CG 3.14Å; K701-M705 PolarHBondContact O-N 3.09Å
702	E	94.8	Very high	93.1	Very high	77 Å²	77	70.9 Å²	70.9	36%	0.36	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-43.3	176.7	-73.2	163.7	-176.5	0	0	111.1	K698 E699 M705 E706	K698-E702 WeakPolarHBondContact CE-OE1 3.37Å; K698-E702 WeakPolarHBondContact CG-OE1 3.43Å; K698-E702 IonicContact NZ-OE1 3.42Å; K698-E702 PolarHBondContact NZ-OE1 3.35Å; K698-E702 IonicContact NZ-OE2 3.81Å; K698-E702 WeakPolarHBondContact O-CG 3.42Å; K698-E702 PolarHBondContact O-N 3.31Å; E699-E702 PolarHBondContact O-N 2.75Å; E699-E702 VanDerWaalsContact O-N 3.14Å; E702-M705 HydrophobicContact CG-CE 4.18Å; E702-M705 PolarHBondContact O-N 3.3Å; E702-E706 PolarHBondContact O-N 3.42Å
703	I	94.8	Very high	93	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-43.7	172.4	-70.2	168.6	0	0	0	111.3	L635 R638 I642 E699 M705 E706 L707	L635-I703 HydrophobicContact CB-CG2 4.22Å; L635-I703 HydrophobicContact CD2-CG1 4.12Å; L635-I703 HydrophobicContact CD2-CG2 4.26Å; R638-I703 HydrophobicContact CB-CD1 3.67Å; I642-I703 HydrophobicContact CD1-CD1 3.45Å; I642-I703 VanDerWaalsContact CD1-CD1 3.45Å; E699-I703 HydrophobicContact CG-CD1 4.27Å; E699-I703 WeakPolarHBondContact O-CG1 3.45Å; E699-I703 PolarHBondContact O-N 3.44Å; I703-M705 PolarHBondContact O-N 3.47Å; I703-E706 PolarHBondContact O-N 2.82Å; I703-L707 HydrophobicContact CG2-CD1 3.86Å; I703-L707 HydrophobicContact CG2-CG 4.27Å; I703-L707 WeakPolarHBondContact O-CB 3.38Å; I703-L707 VanDerWaalsContact O-CG 3.31Å; I703-L707 WeakPolarHBondContact O-CG 3.35Å; I703-L707 PolarHBondContact O-N 3.12Å
704	Q	93	Very high	93.1	Very high	56 Å²	56	65.6 Å²	65.6	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-41.7	177.1	-179.2	61.5	31.3	0	0	112.1	D700 K701 L707 E708	D700-Q704 VanDerWaalsContact O-CB 3.31Å; D700-Q704 WeakPolarHBondContact O-CB 3.49Å; D700-Q704 PolarHBondContact O-N 3Å; K701-Q704 PolarHBondContact O-N 3.22Å; Q704-L707 PolarHBondContact O-N 2.89Å; Q704-E708 PolarHBondContact NE2-OE1 3.12Å; Q704-E708 WeakPolarHBondContact O-CB 3.47Å; Q704-E708 WeakPolarHBondContact O-CG 3.46Å; Q704-E708 PolarHBondContact O-N 3.28Å
705	M	91.7	Very high	92.9	Very high	121 Å²	121	63.6 Å²	63.6	60%	0.596	30%	0.299	S	S	*	.	H	α-helix	trans	-65.2	-39.6	176.4	-71.7	-174.4	-62.3	0	0	112.3	K701 E702 I703 E708 R709	K701-M705 WeakPolarHBondContact O-CG 3.14Å; K701-M705 PolarHBondContact O-N 3.09Å; E702-M705 HydrophobicContact CG-CE 4.18Å; E702-M705 PolarHBondContact O-N 3.3Å; I703-M705 PolarHBondContact O-N 3.47Å; M705-E708 PolarHBondContact O-N 3.48Å; M705-R709 PolarHBondContact O-N 2.67Å
706	E	93.3	Very high	92.7	Very high	59 Å²	59	60.1 Å²	60.1	28%	0.276	28%	0.283	S	S	.	.	H	α-helix	trans	-71.4	-39.3	176.6	-178.6	60.5	-169.2	0	0	112.1	L635 E702 I703 E708 R709 L710	L635-E706 HydrophobicContact CD1-CB 4.24Å; L635-E706 HydrophobicContact CD1-CG 3.73Å; L635-E706 HydrophobicContact CD2-CG 4.42Å; E702-E706 PolarHBondContact O-N 3.42Å; I703-E706 PolarHBondContact O-N 2.82Å; E706-E708 VanDerWaalsContact C-N 3.3Å; E706-E708 PolarHBondContact O-N 2.77Å; E706-R709 CarbonylContact O-C 3.27Å; E706-R709 WeakPolarHBondContact O-CA 3.46Å; E706-R709 WeakPolarHBondContact O-CB 3.38Å; E706-R709 PolarHBondContact O-N 3.29Å; E706-R709 IonicContact OE1-CZ 3.12Å; E706-R709 IonicContact OE1-NE 3.89Å; E706-R709 PolarHBondContact OE1-NE 2.71Å; E706-R709 IonicContact OE1-NH2 2.72Å; E706-R709 PolarHBondContact OE1-NH2 2.79Å; E706-R709 IonicContact OE2-CZ 2.72Å; E706-R709 IonicContact OE2-NE 3.71Å; E706-R709 PolarHBondContact OE2-NE 3.08Å; E706-R709 IonicContact OE2-NH2 2.99Å; E706-L710 HydrophobicContact CG-CD1 4.16Å; E706-L710 HydrophobicContact CG-CG 4.32Å; E706-L710 WeakPolarHBondContact O-CG 3.41Å; E706-L710 PolarHBondContact O-N 3.5Å
707	L	93.2	Very high	92.7	Very high	42 Å²	42	59.6 Å²	59.6	22%	0.22	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-43.5	171.4	-76	170.8	0	0	0	111.1	F632 L635 I703 Q704 R709 L710 D711	F632-L707 HydrophobicContact CD1-CD2 3.93Å; F632-L707 HydrophobicContact CE1-CD2 4.37Å; L635-L707 HydrophobicContact CB-CD2 3.99Å; L635-L707 HydrophobicContact CB-CG 4.35Å; L635-L707 HydrophobicContact CD1-CD2 3.81Å; L635-L707 HydrophobicContact CD1-CG 4.02Å; I703-L707 HydrophobicContact CG2-CD1 3.86Å; I703-L707 HydrophobicContact CG2-CG 4.27Å; I703-L707 WeakPolarHBondContact O-CB 3.38Å; I703-L707 VanDerWaalsContact O-CG 3.31Å; I703-L707 WeakPolarHBondContact O-CG 3.35Å; I703-L707 PolarHBondContact O-N 3.12Å; Q704-L707 PolarHBondContact O-N 2.89Å; L707-R709 PolarHBondContact O-N 3.36Å; L707-L710 PolarHBondContact O-N 3.33Å; L707-D711 WeakPolarHBondContact O-CB 3.05Å; L707-D711 PolarHBondContact O-N 3.44Å
708	E	90.6	Very high	92.6	Very high	52 Å²	52	57.6 Å²	57.6	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-70	-16.9	174.6	-71.3	179.5	-165.5	0	0	113.7	Q704 M705 E706 R712 K840	Q704-E708 PolarHBondContact NE2-OE1 3.12Å; Q704-E708 WeakPolarHBondContact O-CB 3.47Å; Q704-E708 WeakPolarHBondContact O-CG 3.46Å; Q704-E708 PolarHBondContact O-N 3.28Å; M705-E708 PolarHBondContact O-N 3.48Å; E706-E708 VanDerWaalsContact C-N 3.3Å; E706-E708 PolarHBondContact O-N 2.77Å; E708-R712 PolarHBondContact O-NE 3.07Å; E708-R712 PolarHBondContact O-NH2 3.24Å; E708-K840 IonicContact OE2-NZ 2.68Å; E708-K840 PolarHBondContact OE2-NZ 3.43Å
709	R	91.3	Very high	92.4	Very high	94 Å²	94	55.8 Å²	55.8	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-81.6	-48.6	170.6	-158.4	-176.7	71.3	71.6	16.9	110.6	M705 E706 L707 R712 E713	M705-R709 PolarHBondContact O-N 2.67Å; E706-R709 CarbonylContact O-C 3.27Å; E706-R709 WeakPolarHBondContact O-CA 3.46Å; E706-R709 WeakPolarHBondContact O-CB 3.38Å; E706-R709 PolarHBondContact O-N 3.29Å; E706-R709 IonicContact OE1-CZ 3.12Å; E706-R709 IonicContact OE1-NE 3.89Å; E706-R709 PolarHBondContact OE1-NE 2.71Å; E706-R709 IonicContact OE1-NH2 2.72Å; E706-R709 PolarHBondContact OE1-NH2 2.79Å; E706-R709 IonicContact OE2-CZ 2.72Å; E706-R709 IonicContact OE2-NE 3.71Å; E706-R709 PolarHBondContact OE2-NE 3.08Å; E706-R709 IonicContact OE2-NH2 2.99Å; L707-R709 PolarHBondContact O-N 3.36Å; R709-R712 PolarHBondContact O-N 2.99Å; R709-E713 IonicContact CZ-OE1 2.98Å; R709-E713 IonicContact NH1-OE1 3Å; R709-E713 PolarHBondContact NH1-OE1 3.16Å; R709-E713 IonicContact NH2-OE1 2.63Å; R709-E713 PolarHBondContact O-N 2.72Å; R709-E713 VanDerWaalsContact O-N 3.16Å
710	L	92.7	Very high	92.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-36.1	178.6	-66.2	174.5	0	0	0	112.8	L610 R631 F632 L635 E706 L707 R712 E713 R714	L610-L710 HydrophobicContact CD2-CD2 3.86Å; R631-L710 HydrophobicContact CB-CD1 3.81Å; R631-L710 HydrophobicContact CB-CD2 4.46Å; F632-L710 HydrophobicContact CE1-CB 3.77Å; F632-L710 HydrophobicContact CE2-CB 4.14Å; F632-L710 HydrophobicContact CZ-CB 3.56Å; L635-L710 HydrophobicContact CD1-CD1 3.48Å; L635-L710 VanDerWaalsContact CD1-CD1 3.48Å; E706-L710 HydrophobicContact CG-CD1 4.16Å; E706-L710 HydrophobicContact CG-CG 4.32Å; E706-L710 WeakPolarHBondContact O-CG 3.41Å; E706-L710 PolarHBondContact O-N 3.5Å; L707-L710 PolarHBondContact O-N 3.33Å; L710-R712 VanDerWaalsContact C-N 3.32Å; L710-R712 PolarHBondContact O-N 3.37Å; L710-E713 PolarHBondContact O-N 2.84Å; L710-R714 VanDerWaalsContact O-CB 3.27Å; L710-R714 WeakPolarHBondContact O-CB 3.44Å; L710-R714 PolarHBondContact O-N 2.85Å
711	D	91.1	Very high	92.4	Very high	52 Å²	52	54.2 Å²	54.2	28%	0.278	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-43.9	176.1	-168.5	99	0	0	0	110.9	L707 R714 N715	L707-D711 WeakPolarHBondContact O-CB 3.05Å; L707-D711 PolarHBondContact O-N 3.44Å; D711-R714 WeakPolarHBondContact O-CB 3.34Å; D711-R714 PolarHBondContact O-N 3.42Å; D711-R714 IonicContact OD1-CZ 2.59Å; D711-R714 IonicContact OD1-NH1 3.21Å; D711-R714 PolarHBondContact OD1-NH1 3.31Å; D711-R714 IonicContact OD1-NH2 2.71Å; D711-R714 PolarHBondContact OD1-NH2 3.25Å; D711-R714 IonicContact OD2-NH2 3.6Å; D711-R714 PolarHBondContact OD2-NH2 3.5Å; D711-N715 WeakPolarHBondContact O-CB 3.47Å; D711-N715 PolarHBondContact O-N 3.47Å; D711-N715 PolarHBondContact O-ND2 3.4Å; D711-N715 VanDerWaalsContact O-ND2 3.09Å; D711-N715 PolarHBondContact O-OD1 2.89Å; D711-N715 PolarHBondContact OD2-ND2 3.05Å
712	R	88.8	Confident	92.4	Very high	79 Å²	79	52.1 Å²	52.1	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-46.3	174	-71.4	179.3	-79.6	161.9	-0.7	112.1	E708 R709 L710 R714 N715 L716 Q838	E708-R712 PolarHBondContact O-NE 3.07Å; E708-R712 PolarHBondContact O-NH2 3.24Å; R709-R712 PolarHBondContact O-N 2.99Å; L710-R712 VanDerWaalsContact C-N 3.32Å; L710-R712 PolarHBondContact O-N 3.37Å; R712-R714 VanDerWaalsContact C-N 3.34Å; R712-R714 PolarHBondContact O-N 2.81Å; R712-N715 PolarHBondContact O-N 2.97Å; R712-L716 WeakPolarHBondContact O-CG 3.4Å; R712-L716 PolarHBondContact O-N 3.36Å; R712-L716 VanDerWaalsContact O-N 3.12Å; R712-Q838 WeakPolarHBondContact CD-O 3.14Å; R712-Q838 PolarHBondContact NH1-O 2.71Å
713	E	91.9	Very high	92.4	Very high	49 Å²	49	50 Å²	50	23%	0.229	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-42.3	175	-67.7	-176.1	169.1	0	0	112.1	R609 L610 R709 L710 N715 L716 H717	R609-E713 IonicContact CZ-OE2 2.82Å; R609-E713 IonicContact NH1-OE2 3.57Å; R609-E713 PolarHBondContact NH1-OE2 3.3Å; R609-E713 IonicContact NH2-OE2 3.09Å; R609-E713 PolarHBondContact NH2-OE2 3.41Å; L610-E713 HydrophobicContact CD1-CB 3.82Å; L610-E713 HydrophobicContact CD2-CB 4.05Å; R709-E713 IonicContact CZ-OE1 2.98Å; R709-E713 IonicContact NH1-OE1 3Å; R709-E713 PolarHBondContact NH1-OE1 3.16Å; R709-E713 IonicContact NH2-OE1 2.63Å; R709-E713 PolarHBondContact O-N 2.72Å; R709-E713 VanDerWaalsContact O-N 3.16Å; L710-E713 PolarHBondContact O-N 2.84Å; E713-N715 VanDerWaalsContact C-N 3.33Å; E713-N715 PolarHBondContact O-N 3.17Å; E713-L716 PolarHBondContact O-N 3.11Å; E713-H717 WeakPolarHBondContact O-CB 3.48Å; E713-H717 PolarHBondContact O-N 3.23Å
714	R	93.6	Very high	92.5	Very high	28 Å²	28	50.8 Å²	50.8	11%	0.106	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-41.6	177.1	-168.3	-161.4	66.1	-147.8	-17.9	111.1	W626 E628 F632 L710 D711 R712 L716 H717 I718	W626-R714 HydrophobicContact CH2-CG 4.24Å; W626-R714 HydrophobicContact CZ2-CG 3.49Å; W626-R714 VanDerWaalsContact CZ2-CG 3.49Å; E628-R714 IonicContact OE1-CZ 3.58Å; E628-R714 IonicContact OE1-NH1 2.67Å; E628-R714 PolarHBondContact OE1-NH1 2.74Å; E628-R714 VanDerWaalsContact OE2-CD 3.3Å; E628-R714 WeakPolarHBondContact OE2-CD 3.29Å; F632-R714 HydrophobicContact CE2-CB 4.06Å; F632-R714 HydrophobicContact CE2-CG 4.15Å; F632-R714 HydrophobicContact CZ-CB 3.99Å; F632-R714 HydrophobicContact CZ-CG 4.37Å; L710-R714 VanDerWaalsContact O-CB 3.27Å; L710-R714 WeakPolarHBondContact O-CB 3.44Å; L710-R714 PolarHBondContact O-N 2.85Å; D711-R714 WeakPolarHBondContact O-CB 3.34Å; D711-R714 PolarHBondContact O-N 3.42Å; D711-R714 IonicContact OD1-CZ 2.59Å; D711-R714 IonicContact OD1-NH1 3.21Å; D711-R714 PolarHBondContact OD1-NH1 3.31Å; D711-R714 IonicContact OD1-NH2 2.71Å; D711-R714 PolarHBondContact OD1-NH2 3.25Å; D711-R714 IonicContact OD2-NH2 3.6Å; D711-R714 PolarHBondContact OD2-NH2 3.5Å; R712-R714 VanDerWaalsContact C-N 3.34Å; R712-R714 PolarHBondContact O-N 2.81Å; R714-L716 VanDerWaalsContact C-N 3.34Å; R714-L716 PolarHBondContact O-N 3.14Å; R714-H717 PolarHBondContact O-N 2.83Å; R714-I718 HydrophobicContact CG-CD1 4.03Å; R714-I718 WeakPolarHBondContact O-CB 3.42Å; R714-I718 VanDerWaalsContact O-CG1 3.28Å; R714-I718 WeakPolarHBondContact O-CG1 3.45Å; R714-I718 PolarHBondContact O-N 3.33Å
715	N	90.2	Very high	92.5	Very high	69 Å²	69	50.9 Å²	50.9	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-69.3	-31.6	179.5	-60.6	-22	0	0	0	112	D711 R712 E713 R719	D711-N715 WeakPolarHBondContact O-CB 3.47Å; D711-N715 PolarHBondContact O-N 3.47Å; D711-N715 PolarHBondContact O-ND2 3.4Å; D711-N715 VanDerWaalsContact O-ND2 3.09Å; D711-N715 PolarHBondContact O-OD1 2.89Å; D711-N715 PolarHBondContact OD2-ND2 3.05Å; R712-N715 PolarHBondContact O-N 2.97Å; E713-N715 VanDerWaalsContact C-N 3.33Å; E713-N715 PolarHBondContact O-N 3.17Å; N715-R719 PolarHBondContact O-N 3.17Å
716	L	90.5	Very high	92.7	Very high	44 Å²	44	47.2 Å²	47.2	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-69.3	-45.1	169.7	-64.4	168.2	0	0	0	111.7	R712 E713 R714 I718 R719 E720 F834 Q838	R712-L716 WeakPolarHBondContact O-CG 3.4Å; R712-L716 PolarHBondContact O-N 3.36Å; R712-L716 VanDerWaalsContact O-N 3.12Å; E713-L716 PolarHBondContact O-N 3.11Å; R714-L716 VanDerWaalsContact C-N 3.34Å; R714-L716 PolarHBondContact O-N 3.14Å; L716-I718 PolarHBondContact O-N 3.28Å; L716-R719 WeakPolarHBondContact O-CB 3.47Å; L716-R719 PolarHBondContact O-N 3.31Å; L716-R719 VanDerWaalsContact O-N 3.15Å; L716-E720 PolarHBondContact O-N 3.37Å; L716-F834 HydrophobicContact CD2-CE1 4.41Å; L716-F834 HydrophobicContact CD2-CE2 3.84Å; L716-F834 HydrophobicContact CD2-CZ 3.76Å; L716-Q838 HydrophobicContact CD1-CG 4.1Å; L716-Q838 VanDerWaalsContact CD1-NE2 3.25Å; L716-Q838 HydrophobicContact CD2-CG 4.02Å; L716-Q838 HydrophobicContact CG-CG 4.49Å
717	H	94	Very high	92.8	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.051	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-42.3	177	175.6	54.3	0	0	0	112	V603 N606 R607 L610 G611 W626 E713 R714 R719 E720 I721	V603-H717 VanDerWaalsContact CA-CE1 3.44Å; V603-H717 WeakPolarHBondContact CA-CE1 3.34Å; V603-H717 WeakPolarHBondContact CG1-CE1 3.35Å; V603-H717 PolarHBondContact O-CE1 3.22Å; N606-H717 PolarHBondContact O-NE2 3.49Å; R607-H717 WeakPolarHBondContact CA-NE2 3.23Å; R607-H717 PolarHBondContact N-CE1 2.71Å; R607-H717 PolarHBondContact N-NE2 2.89Å; L610-H717 HydrophobicContact CD1-CB 3.87Å; G611-H717 PolarHBondContact O-NE2 2.9Å; W626-H717 AromaticContact CH2-CD2 3.86Å; W626-H717 AromaticContact CH2-NE2 3.97Å; E713-H717 WeakPolarHBondContact O-CB 3.48Å; E713-H717 PolarHBondContact O-N 3.23Å; R714-H717 PolarHBondContact O-N 2.83Å; H717-R719 PolarHBondContact O-N 2.93Å; H717-E720 PolarHBondContact O-N 2.88Å; H717-I721 VanDerWaalsContact O-CG1 3.3Å; H717-I721 WeakPolarHBondContact O-CG1 3.35Å; H717-I721 PolarHBondContact O-N 2.79Å
718	I	93	Very high	92.9	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.108	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-42.4	172	-72.3	164.4	0	0	0	111.8	F613 W626 R714 L716 K722	F613-I718 HydrophobicContact CE2-CG1 4.15Å; F613-I718 HydrophobicContact CE2-CG2 4.12Å; F613-I718 HydrophobicContact CZ-CG1 4.36Å; F613-I718 HydrophobicContact CZ-CG2 4.15Å; W626-I718 HydrophobicContact CD2-CD1 4.32Å; W626-I718 HydrophobicContact CE3-CD1 4.12Å; W626-I718 HydrophobicContact CE3-CG1 4.02Å; W626-I718 HydrophobicContact CH2-CD1 4.07Å; W626-I718 HydrophobicContact CH2-CG1 3.61Å; W626-I718 HydrophobicContact CZ2-CD1 4.27Å; W626-I718 HydrophobicContact CZ2-CG1 4.3Å; W626-I718 HydrophobicContact CZ3-CD1 3.99Å; W626-I718 HydrophobicContact CZ3-CG1 3.45Å; W626-I718 VanDerWaalsContact CZ3-CG1 3.45Å; R714-I718 HydrophobicContact CG-CD1 4.03Å; R714-I718 WeakPolarHBondContact O-CB 3.42Å; R714-I718 VanDerWaalsContact O-CG1 3.28Å; R714-I718 WeakPolarHBondContact O-CG1 3.45Å; R714-I718 PolarHBondContact O-N 3.33Å; L716-I718 PolarHBondContact O-N 3.28Å; I718-K722 WeakPolarHBondContact O-CG 3.38Å; I718-K722 PolarHBondContact O-N 3.23Å
719	R	91	Very high	93.1	Very high	74 Å²	74	45.8 Å²	45.8	28%	0.279	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-43.2	175.8	177.1	-175.1	-97.4	151.3	-17.9	110.8	N715 L716 H717 K722 R723 D833	N715-R719 PolarHBondContact O-N 3.17Å; L716-R719 WeakPolarHBondContact O-CB 3.47Å; L716-R719 PolarHBondContact O-N 3.31Å; L716-R719 VanDerWaalsContact O-N 3.15Å; H717-R719 PolarHBondContact O-N 2.93Å; R719-K722 PolarHBondContact O-N 3.48Å; R719-R723 PolarHBondContact O-N 2.7Å; R719-D833 IonicContact NH2-OD2 3.56Å
720	E	93.5	Very high	93.2	Very high	34 Å²	34	41.5 Å²	41.5	16%	0.159	21%	0.21	C	C	.	.	H	α-helix	trans	-72.3	-38.7	-178.4	-173.3	51.5	-144.2	0	0	113.1	T599 V603 L716 H717 K722 R723 I724	T599-E720 HydrophobicContact CG2-CG 3.83Å; T599-E720 WeakPolarHBondContact CG2-OE1 3.39Å; V603-E720 HydrophobicContact CG2-CB 4.27Å; V603-E720 HydrophobicContact CG2-CG 3.69Å; L716-E720 PolarHBondContact O-N 3.37Å; H717-E720 PolarHBondContact O-N 2.88Å; E720-K722 VanDerWaalsContact C-N 3.26Å; E720-K722 PolarHBondContact O-N 3.1Å; E720-R723 VanDerWaalsContact CD-NE 3.3Å; E720-R723 PolarHBondContact O-N 3.03Å; E720-R723 VanDerWaalsContact O-N 3.09Å; E720-R723 IonicContact OE1-CZ 2.72Å; E720-R723 IonicContact OE1-NE 3.58Å; E720-R723 PolarHBondContact OE1-NE 3.3Å; E720-R723 IonicContact OE1-NH2 3.27Å; E720-R723 PolarHBondContact OE1-NH2 2.83Å; E720-R723 WeakPolarHBondContact OE2-CD 3.41Å; E720-R723 IonicContact OE2-NE 3.89Å; E720-R723 PolarHBondContact OE2-NE 3.12Å; E720-I724 HydrophobicContact CG-CD1 4.16Å; E720-I724 WeakPolarHBondContact O-CG1 3.33Å; E720-I724 PolarHBondContact O-N 3.39Å; E720-I724 WeakPolarHBondContact OE1-CG1 3.27Å
721	I	94.2	Very high	93.3	Very high	44 Å²	44	47.8 Å²	47.8	23%	0.226	23%	0.234	C	C	.	.	H	α-helix	trans	-54.2	-45.7	169.1	-71	163.4	0	0	0	110.2	V603 W626 H717 I724 S725	V603-I721 HydrophobicContact CG1-CG1 3.71Å; W626-I721 HydrophobicContact CZ3-CD1 4.39Å; H717-I721 VanDerWaalsContact O-CG1 3.3Å; H717-I721 WeakPolarHBondContact O-CG1 3.35Å; H717-I721 PolarHBondContact O-N 2.79Å; I721-I724 PolarHBondContact O-N 2.8Å; I721-S725 WeakPolarHBondContact O-CB 3.41Å; I721-S725 PolarHBondContact O-N 3.45Å
722	K	93.6	Very high	93.5	Very high	86 Å²	86	45.8 Å²	45.8	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-67.7	-34.7	177.1	-71.7	-173.9	176	-166.4	0	112.5	I718 R719 E720 N726	I718-K722 WeakPolarHBondContact O-CG 3.38Å; I718-K722 PolarHBondContact O-N 3.23Å; R719-K722 PolarHBondContact O-N 3.48Å; E720-K722 VanDerWaalsContact C-N 3.26Å; E720-K722 PolarHBondContact O-N 3.1Å; K722-N726 WeakPolarHBondContact O-CB 3.41Å; K722-N726 PolarHBondContact O-N 3.12Å; K722-N726 VanDerWaalsContact O-N 3.08Å; K722-N726 PolarHBondContact O-ND2 3.04Å
723	R	94.7	Very high	93.7	Very high	34 Å²	34	45.2 Å²	45.2	13%	0.128	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-48.1	174.7	-164.2	-159	65.8	70.6	12.9	111	R719 E720 N726 E727 L747	R719-R723 PolarHBondContact O-N 2.7Å; E720-R723 VanDerWaalsContact CD-NE 3.3Å; E720-R723 PolarHBondContact O-N 3.03Å; E720-R723 VanDerWaalsContact O-N 3.09Å; E720-R723 IonicContact OE1-CZ 2.72Å; E720-R723 IonicContact OE1-NE 3.58Å; E720-R723 PolarHBondContact OE1-NE 3.3Å; E720-R723 IonicContact OE1-NH2 3.27Å; E720-R723 PolarHBondContact OE1-NH2 2.83Å; E720-R723 WeakPolarHBondContact OE2-CD 3.41Å; E720-R723 IonicContact OE2-NE 3.89Å; E720-R723 PolarHBondContact OE2-NE 3.12Å; R723-N726 PolarHBondContact O-N 3.27Å; R723-E727 IonicContact CZ-OE1 3.4Å; R723-E727 IonicContact NH1-OE1 2.67Å; R723-E727 PolarHBondContact NH1-OE1 2.59Å; R723-E727 IonicContact NH1-OE2 3.47Å; R723-E727 IonicContact NH2-OE1 3.69Å; R723-E727 IonicContact NH2-OE2 2.71Å; R723-E727 WeakPolarHBondContact O-CB 3.11Å; R723-E727 PolarHBondContact O-N 3.37Å; R723-L747 WeakPolarHBondContact CD-O 3.44Å; R723-L747 PolarHBondContact NH1-O 2.94Å
724	I	95.8	Very high	93.9	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.082	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-47	176.7	-68.1	166.3	0	0	0	111.1	T599 R600 V603 E720 I721 N726 E727 D728	T599-I724 HydrophobicContact CG2-CD1 4.41Å; R600-I724 HydrophobicContact CG-CD1 3.97Å; R600-I724 HydrophobicContact CG-CG1 4.5Å; R600-I724 HydrophobicContact CG-CG2 4.25Å; V603-I724 HydrophobicContact CB-CD1 4.27Å; V603-I724 HydrophobicContact CG2-CD1 3.8Å; E720-I724 HydrophobicContact CG-CD1 4.16Å; E720-I724 WeakPolarHBondContact O-CG1 3.33Å; E720-I724 PolarHBondContact O-N 3.39Å; E720-I724 WeakPolarHBondContact OE1-CG1 3.27Å; I721-I724 PolarHBondContact O-N 2.8Å; I724-N726 VanDerWaalsContact C-N 3.29Å; I724-N726 PolarHBondContact O-N 3.27Å; I724-E727 WeakPolarHBondContact O-CA 3.26Å; I724-E727 WeakPolarHBondContact O-CB 3.44Å; I724-E727 PolarHBondContact O-N 3.3Å; I724-D728 WeakPolarHBondContact CG2-OD2 3.25Å; I724-D728 PolarHBondContact O-N 3.01Å
725	S	94.5	Very high	94.1	Very high	59 Å²	59	48.2 Å²	48.2	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-38.5	177.6	177.9	0	0	0	0	112.6	I721 A729	I721-S725 WeakPolarHBondContact O-CB 3.41Å; I721-S725 PolarHBondContact O-N 3.45Å; S725-A729 VanDerWaalsContact O-CB 3.23Å; S725-A729 WeakPolarHBondContact O-CB 3.4Å; S725-A729 PolarHBondContact O-N 2.85Å; S725-A729 VanDerWaalsContact O-N 3.16Å
726	N	95.1	Very high	94.4	Very high	44 Å²	44	46.9 Å²	46.9	24%	0.235	24%	0.237	C	C	.	.	H	α-helix	trans	-72.2	-30	174.1	-77.3	-56.8	0	0	0	113.4	K722 R723 I724 S730 L747 K750	K722-N726 WeakPolarHBondContact O-CB 3.41Å; K722-N726 PolarHBondContact O-N 3.12Å; K722-N726 VanDerWaalsContact O-N 3.08Å; K722-N726 PolarHBondContact O-ND2 3.04Å; R723-N726 PolarHBondContact O-N 3.27Å; I724-N726 VanDerWaalsContact C-N 3.29Å; I724-N726 PolarHBondContact O-N 3.27Å; N726-S730 WeakPolarHBondContact O-CB 3.48Å; N726-S730 PolarHBondContact O-N 2.97Å; N726-S730 VanDerWaalsContact O-N 3.14Å; N726-L747 VanDerWaalsContact C-CD2 3.47Å; N726-L747 HydrophobicContact CB-CD2 3.58Å; N726-K750 HydrophobicContact CB-CB 4.22Å; N726-K750 HydrophobicContact CB-CD 4.01Å
727	E	96	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-50.7	174.1	-173.9	175.2	-95.4	0	0	110.2	R596 R600 R723 I724 A729 S730 K733 L747	R596-E727 IonicContact NE-OE1 3.8Å; R596-E727 IonicContact NE-OE2 2.68Å; R600-E727 IonicContact CZ-OE2 2.74Å; R600-E727 VanDerWaalsContact CZ-OE2 3.27Å; R600-E727 IonicContact NH1-OE2 2.98Å; R600-E727 PolarHBondContact NH1-OE2 2.85Å; R600-E727 IonicContact NH2-OE2 2.72Å; R600-E727 PolarHBondContact NH2-OE2 3.19Å; R723-E727 IonicContact CZ-OE1 3.4Å; R723-E727 IonicContact NH1-OE1 2.67Å; R723-E727 PolarHBondContact NH1-OE1 2.59Å; R723-E727 IonicContact NH1-OE2 3.47Å; R723-E727 IonicContact NH2-OE1 3.69Å; R723-E727 IonicContact NH2-OE2 2.71Å; R723-E727 WeakPolarHBondContact O-CB 3.11Å; R723-E727 PolarHBondContact O-N 3.37Å; I724-E727 WeakPolarHBondContact O-CA 3.26Å; I724-E727 WeakPolarHBondContact O-CB 3.44Å; I724-E727 PolarHBondContact O-N 3.3Å; E727-A729 PolarHBondContact O-N 2.95Å; E727-S730 WeakPolarHBondContact O-CB 3.38Å; E727-S730 PolarHBondContact O-N 3.47Å; E727-S730 VanDerWaalsContact O-N 3.09Å; E727-K733 WeakPolarHBondContact O-CB 3.46Å; E727-L747 HydrophobicContact CB-CB 3.93Å; E727-L747 HydrophobicContact CB-CD2 4.09Å; E727-L747 HydrophobicContact CG-CB 4.03Å; E727-L747 PolarHBondContact OE1-N 2.99Å
728	D	95.2	Very high	94.8	Very high	67 Å²	67	47.6 Å²	47.6	36%	0.358	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-27.9	179.6	-66	-32.4	0	0	0	112.8	R600 I724 K733	R600-D728 IonicContact CZ-OD1 3.49Å; R600-D728 IonicContact NE-OD1 3.21Å; R600-D728 IonicContact NH2-OD1 2.79Å; R600-D728 PolarHBondContact NH2-OD1 3.1Å; R600-D728 IonicContact NH2-OD2 3.56Å; I724-D728 WeakPolarHBondContact CG2-OD2 3.25Å; I724-D728 PolarHBondContact O-N 3.01Å; D728-K733 WeakPolarHBondContact O-CD 3.29Å; D728-K733 PolarHBondContact O-NZ 3.33Å
729	A	94.3	Very high	95	Very high	56 Å²	56	50.9 Å²	50.9	46%	0.463	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	1.5	176.1	0	0	0	0	0	114.7	M319 S725 E727	M319-A729 HydrophobicContact CE-CB 3.64Å; S725-A729 VanDerWaalsContact O-CB 3.23Å; S725-A729 WeakPolarHBondContact O-CB 3.4Å; S725-A729 PolarHBondContact O-N 2.85Å; S725-A729 VanDerWaalsContact O-N 3.16Å; E727-A729 PolarHBondContact O-N 2.95Å
730	S	94.1	Very high	95.1	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.028	29%	0.287	C	S	.	.			trans	-79.7	142.8	174.8	172.5	0	0	0	0	111.6	N726 E727 F732 K733 E755	N726-S730 WeakPolarHBondContact O-CB 3.48Å; N726-S730 PolarHBondContact O-N 2.97Å; N726-S730 VanDerWaalsContact O-N 3.14Å; E727-S730 WeakPolarHBondContact O-CB 3.38Å; E727-S730 PolarHBondContact O-N 3.47Å; E727-S730 VanDerWaalsContact O-N 3.09Å; S730-F732 PolarHBondContact O-N 3.22Å; S730-F732 PolarHBondContact OG-N 3.21Å; S730-K733 WeakPolarHBondContact O-CD 3.49Å; S730-K733 WeakPolarHBondContact O-CG 2.99Å; S730-E755 WeakPolarHBondContact CB-OE1 3.46Å; S730-E755 PolarHBondContact OG-OE1 3.41Å
731	R	94.2	Very high	95.3	Very high	132 Å²	132	57.8 Å²	57.8	50%	0.498	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.7	168.7	72.9	177.1	-178.9	132.4	-4.6	113.8	D816	R731-D816 IonicContact CZ-OD2 3.72Å; R731-D816 IonicContact NH1-OD2 2.78Å; R731-D816 PolarHBondContact NH1-OD2 3.36Å; R731-D816 IonicContact NH2-OD1 3.6Å; R731-D816 IonicContact NH2-OD2 3.9Å; R731-D816 PolarHBondContact NH2-OD2 2.91Å
732	F	94.7	Very high	95.5	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.048	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	9.5	-178.2	-63.5	-74.2	0	0	0	113	S730 D734 P736 L738 L744 I772 Q774 I815	S730-F732 PolarHBondContact O-N 3.22Å; S730-F732 PolarHBondContact OG-N 3.21Å; F732-D734 VanDerWaalsContact C-N 3.33Å; F732-D734 PolarHBondContact O-N 3.02Å; F732-P736 HydrophobicContact CB-CG 4.32Å; F732-P736 HydrophobicContact CD1-CG 4.08Å; F732-P736 WeakPolarHBondContact O-CD 3.3Å; F732-L738 HydrophobicContact CE1-CD2 4.37Å; F732-L744 HydrophobicContact CB-CD1 3.87Å; F732-L744 HydrophobicContact CD1-CD1 4.17Å; F732-L744 HydrophobicContact CG-CD1 4.27Å; F732-I772 HydrophobicContact CB-CD1 4.42Å; F732-I772 HydrophobicContact CD1-CD1 4.08Å; F732-I772 HydrophobicContact CD2-CD1 3.88Å; F732-I772 HydrophobicContact CD2-CG2 4.43Å; F732-I772 HydrophobicContact CE1-CD1 4.29Å; F732-I772 HydrophobicContact CE2-CD1 4.1Å; F732-I772 HydrophobicContact CE2-CG2 3.7Å; F732-I772 HydrophobicContact CG-CD1 3.87Å; F732-I772 HydrophobicContact CZ-CD1 4.3Å; F732-I772 HydrophobicContact CZ-CG2 3.88Å; F732-Q774 HydrophobicContact CE2-CG 4.23Å; F732-I815 HydrophobicContact CE1-CD1 3.92Å; F732-I815 HydrophobicContact CE1-CG2 4.15Å; F732-I815 HydrophobicContact CZ-CD1 3.83Å; F732-I815 HydrophobicContact CZ-CG2 4.35Å
733	K	94.2	Very high	95.7	Very high	67 Å²	67	51.6 Å²	51.6	29%	0.291	26%	0.263	S	S	.	.			trans	-69.8	-25.1	-172.8	71.6	-173.6	172.6	177.8	0	114.5	R596 E727 D728 S730 H735	R596-K733 VanDerWaalsContact CZ-O 3.26Å; R596-K733 PolarHBondContact NH1-O 2.94Å; R596-K733 PolarHBondContact NH2-O 3.3Å; E727-K733 WeakPolarHBondContact O-CB 3.46Å; D728-K733 WeakPolarHBondContact O-CD 3.29Å; D728-K733 PolarHBondContact O-NZ 3.33Å; S730-K733 WeakPolarHBondContact O-CD 3.49Å; S730-K733 WeakPolarHBondContact O-CG 2.99Å; K733-H735 VanDerWaalsContact C-N 3.25Å; K733-H735 PolarHBondContact O-N 2.75Å
734	D	95.8	Very high	95.8	Very high	124 Å²	124	50 Å²	50	66%	0.663	26%	0.257	S	S	*	.	S	Bend	trans	-93.3	46.5	-172.8	-55.5	-62.2	0	0	0	111.7	F732 P736	F732-D734 VanDerWaalsContact C-N 3.33Å; F732-D734 PolarHBondContact O-N 3.02Å; D734-P736 VanDerWaalsContact C-CD 3.47Å
735	H	96.9	Very high	95.9	Very high	16 Å²	16	49.5 Å²	49.5	7%	0.074	25%	0.254	C	S	.	.			trans	47.7	47.2	172.4	-57.2	82.8	0	0	0	116.8	I589 S592 R596 K733 L743 L744	I589-H735 HydrophobicContact CD1-CB 4.17Å; I589-H735 HydrophobicContact CG1-CB 3.93Å; S592-H735 WeakPolarHBondContact CB-NE2 3.47Å; S592-H735 PolarHBondContact OG-NE2 2.84Å; R596-H735 VanDerWaalsContact CZ-CE1 3.47Å; K733-H735 VanDerWaalsContact C-N 3.25Å; K733-H735 PolarHBondContact O-N 2.75Å; H735-L743 WeakPolarHBondContact O-CD1 3.27Å; H735-L744 WeakPolarHBondContact CA-O 3.41Å; H735-L744 PolarHBondContact CD2-O 2.79Å; H735-L744 VanDerWaalsContact CD2-O 3.3Å
736	P	97.1	Very high	96	Very high	41 Å²	41	47.2 Å²	47.2	27%	0.266	24%	0.237	S	C	.	.			trans	-66.3	146.2	-179.5	29.7	-35.4	0	0	0	111.9	F732 D734 L744	F732-P736 HydrophobicContact CB-CG 4.32Å; F732-P736 HydrophobicContact CD1-CG 4.08Å; F732-P736 WeakPolarHBondContact O-CD 3.3Å; D734-P736 VanDerWaalsContact C-CD 3.47Å; P736-L744 HydrophobicContact CG-CB 4.46Å; P736-L744 HydrophobicContact CG-CD1 3.91Å; P736-L744 HydrophobicContact CG-CG 4.34Å; P736-L744 PolarHBondContact O-N 3.22Å
737	L	97.1	Very high	96	Very high	54 Å²	54	45.1 Å²	45.1	28%	0.283	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	106.8	171.9	177.7	60.1	0	0	0	108.9	L743 L762	L737-L743 HydrophobicContact CD1-CB 4.32Å; L737-L762 HydrophobicContact CD1-CD1 3.77Å
738	L	96.8	Very high	95.9	Very high	16 Å²	16	45.4 Å²	45.4	8%	0.084	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	144.2	179.2	-60.3	-173.6	0	0	0	111.8	F732 E740 R741 Y742 L744 I772 F813 I815	F732-L738 HydrophobicContact CE1-CD2 4.37Å; L738-E740 PolarHBondContact O-N 3.01Å; L738-E740 VanDerWaalsContact O-N 3.1Å; L738-R741 PolarHBondContact O-N 2.87Å; L738-Y742 PolarHBondContact N-O 2.84Å; L738-Y742 PolarHBondContact O-N 2.95Å; L738-L744 HydrophobicContact CD1-CD1 3.94Å; L738-L744 HydrophobicContact CD1-CD2 4.16Å; L738-L744 HydrophobicContact CD1-CG 4.2Å; L738-L744 HydrophobicContact CG-CD1 4.28Å; L738-L744 HydrophobicContact CG-CG 4.26Å; L738-I772 HydrophobicContact CD1-CD1 4.1Å; L738-F813 HydrophobicContact CB-CE2 3.85Å; L738-F813 HydrophobicContact CB-CZ 3.78Å; L738-F813 HydrophobicContact CD1-CE2 4.32Å; L738-F813 HydrophobicContact CD1-CZ 4.35Å; L738-I815 HydrophobicContact CD1-CD1 3.71Å; L738-I815 HydrophobicContact CD1-CG1 4.33Å; L738-I815 HydrophobicContact CD2-CD1 4.37Å; L738-I815 HydrophobicContact CD2-CG2 4.34Å
739	N	96.1	Very high	95.7	Very high	90 Å²	90	42.4 Å²	42.4	48%	0.481	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	36.2	179.4	-159.3	20.4	0	0	0	113.5	R741 Y742 D811 F813	N739-R741 VanDerWaalsContact O-CB 3.24Å; N739-R741 WeakPolarHBondContact O-CB 3.49Å; N739-R741 PolarHBondContact O-N 3.15Å; N739-Y742 HydrophobicContact CB-CD2 4.16Å; N739-Y742 HydrophobicContact CB-CE2 4.48Å; N739-D811 PolarHBondContact ND2-OD2 3.01Å; N739-F813 HydrophobicContact CB-CD1 3.91Å; N739-F813 HydrophobicContact CB-CD2 3.88Å; N739-F813 HydrophobicContact CB-CE1 3.85Å; N739-F813 HydrophobicContact CB-CE2 3.83Å; N739-F813 HydrophobicContact CB-CG 3.93Å; N739-F813 HydrophobicContact CB-CZ 3.81Å; N739-F813 WeakPolarHBondContact ND2-CD1 3.45Å
740	E	93.9	Very high	95.5	Very high	185 Å²	185	43.3 Å²	43.3	86%	0.864	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	13.5	-175.1	-57.3	-173.2	167.3	0	0	115.6	L738	L738-E740 PolarHBondContact O-N 3.01Å; L738-E740 VanDerWaalsContact O-N 3.1Å
741	R	96.5	Very high	95	Very high	68 Å²	68	44 Å²	44	26%	0.257	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-37	-163.7	176.6	173	177.3	-169.2	-2.5	115	L738 N739 D761 L762 V763	L738-R741 PolarHBondContact O-N 2.87Å; N739-R741 VanDerWaalsContact O-CB 3.24Å; N739-R741 WeakPolarHBondContact O-CB 3.49Å; N739-R741 PolarHBondContact O-N 3.15Å; R741-D761 IonicContact CZ-OD1 3.39Å; R741-D761 IonicContact CZ-OD2 2.79Å; R741-D761 IonicContact NE-OD1 2.78Å; R741-D761 PolarHBondContact NE-OD1 3.03Å; R741-D761 IonicContact NE-OD2 3.7Å; R741-D761 IonicContact NH2-OD1 3.62Å; R741-D761 PolarHBondContact NH2-OD1 2.88Å; R741-D761 IonicContact NH2-OD2 2.81Å; R741-D761 PolarHBondContact NH2-OD2 2.94Å; R741-L762 PolarHBondContact O-N 2.76Å; R741-V763 HydrophobicContact CB-CG2 4.48Å; R741-V763 HydrophobicContact CG-CB 4.2Å; R741-V763 HydrophobicContact CG-CG2 3.87Å
742	Y	98.2	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	95.7	-170.8	-58.5	-71.3	0	0	0	110.9	L738 N739 L744 F760 D761 V768 D811 F813 V823	L738-Y742 PolarHBondContact N-O 2.84Å; L738-Y742 PolarHBondContact O-N 2.95Å; N739-Y742 HydrophobicContact CB-CD2 4.16Å; N739-Y742 HydrophobicContact CB-CE2 4.48Å; Y742-L744 PolarHBondContact O-N 3.08Å; Y742-F760 WeakPolarHBondContact CA-O 3.37Å; Y742-D761 HydrophobicContact CD1-CB 4.03Å; Y742-D761 HydrophobicContact CE1-CB 3.85Å; Y742-V768 HydrophobicContact CD1-CG2 4.08Å; Y742-D811 HydrophobicContact CE2-CB 4.32Å; Y742-D811 WeakPolarHBondContact CE2-OD2 3.47Å; Y742-D811 WeakPolarHBondContact OH-CB 3.36Å; Y742-D811 PolarHBondContact OH-OD2 3.49Å; Y742-F813 HydrophobicContact CD2-CD1 4.45Å; Y742-F813 AromaticContact CD2-CE1 3.46Å; Y742-F813 HydrophobicContact CD2-CE1 3.46Å; Y742-F813 VanDerWaalsContact CD2-CE1 3.46Å; Y742-F813 AromaticContact CD2-CZ 3.87Å; Y742-F813 HydrophobicContact CD2-CZ 3.87Å; Y742-F813 HydrophobicContact CE2-CD1 4.28Å; Y742-F813 AromaticContact CE2-CE1 3.64Å; Y742-F813 HydrophobicContact CE2-CE1 3.64Å; Y742-F813 HydrophobicContact CE2-CZ 4.48Å; Y742-F813 HydrophobicContact CG-CE1 4.46Å; Y742-V823 HydrophobicContact CD1-CG1 4.13Å; Y742-V823 HydrophobicContact CD1-CG2 4.34Å; Y742-V823 HydrophobicContact CD2-CG2 4.18Å; Y742-V823 HydrophobicContact CE1-CG1 3.79Å; Y742-V823 HydrophobicContact CE1-CG2 4.23Å; Y742-V823 HydrophobicContact CE2-CG2 4.07Å; Y742-V823 HydrophobicContact CG-CG2 4.31Å
743	L	98.3	Very high	93.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.7	175.1	177	66.3	0	0	0	109.5	R585 L588 I589 H735 L737 L745 G759 F760 L762	R585-L743 HydrophobicContact CB-CD2 4.31Å; R585-L743 HydrophobicContact CG-CD1 3.97Å; R585-L743 HydrophobicContact CG-CD2 3.82Å; R585-L743 HydrophobicContact CG-CG 4.47Å; L588-L743 HydrophobicContact CB-CD2 3.88Å; L588-L743 HydrophobicContact CD1-CD2 4.09Å; I589-L743 HydrophobicContact CD1-CD1 4.23Å; I589-L743 HydrophobicContact CG1-CD1 4.29Å; I589-L743 HydrophobicContact CG1-CD2 4.37Å; H735-L743 WeakPolarHBondContact O-CD1 3.27Å; L737-L743 HydrophobicContact CD1-CB 4.32Å; L743-L745 HydrophobicContact CD2-CD2 3.93Å; L743-L745 HydrophobicContact CG-CD2 4.01Å; L743-G759 CarbonylContact O-C 3.43Å; L743-G759 WeakPolarHBondContact O-CA 3.46Å; L743-F760 PolarHBondContact N-O 2.91Å; L743-F760 PolarHBondContact O-N 2.92Å; L743-L762 HydrophobicContact CB-CD1 4.24Å; L743-L762 HydrophobicContact CB-CG 4.45Å
744	L	98.2	Very high	93.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	143.7	173.1	-57	-171	0	0	0	111.8	F732 H735 P736 L738 Y742 H757 C770 I772	F732-L744 HydrophobicContact CB-CD1 3.87Å; F732-L744 HydrophobicContact CD1-CD1 4.17Å; F732-L744 HydrophobicContact CG-CD1 4.27Å; H735-L744 WeakPolarHBondContact CA-O 3.41Å; H735-L744 PolarHBondContact CD2-O 2.79Å; H735-L744 VanDerWaalsContact CD2-O 3.3Å; P736-L744 HydrophobicContact CG-CB 4.46Å; P736-L744 HydrophobicContact CG-CD1 3.91Å; P736-L744 HydrophobicContact CG-CG 4.34Å; P736-L744 PolarHBondContact O-N 3.22Å; L738-L744 HydrophobicContact CD1-CD1 3.94Å; L738-L744 HydrophobicContact CD1-CD2 4.16Å; L738-L744 HydrophobicContact CD1-CG 4.2Å; L738-L744 HydrophobicContact CG-CD1 4.28Å; L738-L744 HydrophobicContact CG-CG 4.26Å; Y742-L744 PolarHBondContact O-N 3.08Å; L744-H757 HydrophobicContact CD2-CB 4.12Å; L744-C770 HydrophobicContact CD2-CB 3.73Å; L744-I772 HydrophobicContact CD1-CD1 3.66Å
745	L	97.5	Very high	93.7	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	-111.5	-177.1	-54.3	177	0	0	0	110.4	L588 R596 L743 K758 F760 Y767	L588-L745 HydrophobicContact CB-CD2 4.07Å; L588-L745 HydrophobicContact CD2-CD1 4.45Å; R596-L745 PolarHBondContact NH2-O 3.32Å; L743-L745 HydrophobicContact CD2-CD2 3.93Å; L743-L745 HydrophobicContact CG-CD2 4.01Å; L745-K758 WeakPolarHBondContact CA-O 3.49Å; L745-K758 HydrophobicContact CB-CB 4.38Å; L745-K758 WeakPolarHBondContact CB-O 3.26Å; L745-K758 HydrophobicContact CD1-CG 4.38Å; L745-K758 PolarHBondContact N-O 2.85Å; L745-F760 HydrophobicContact CD1-CB 4.5Å; L745-Y767 HydrophobicContact CD1-CD1 4.3Å; L745-Y767 HydrophobicContact CD1-CE1 3.86Å
746	N	95.5	Very high	93.7	Very high	11 Å²	11	34 Å²	34	6%	0.059	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	147.8	-180	-56.7	-15.5	0	0	0	111.7	S592 E595 L748 H757 K758	S592-N746 PolarHBondContact OG-OD1 2.72Å; E595-N746 PolarHBondContact OE2-ND2 3.25Å; N746-L748 PolarHBondContact O-N 2.64Å; N746-H757 WeakPolarHBondContact O-CA 3.16Å; N746-K758 PolarHBondContact O-N 3.48Å
747	L	96.4	Very high	93.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.2	166.3	178.4	68.8	0	0	0	109.2	R723 N726 E727 E755	R723-L747 WeakPolarHBondContact CD-O 3.44Å; R723-L747 PolarHBondContact NH1-O 2.94Å; N726-L747 VanDerWaalsContact C-CD2 3.47Å; N726-L747 HydrophobicContact CB-CD2 3.58Å; E727-L747 HydrophobicContact CB-CB 3.93Å; E727-L747 HydrophobicContact CB-CD2 4.09Å; E727-L747 HydrophobicContact CG-CB 4.03Å; E727-L747 PolarHBondContact OE1-N 2.99Å; L747-E755 HydrophobicContact CD1-CB 3.86Å; L747-E755 HydrophobicContact CD1-CG 4.46Å
748	L	93.2	Very high	93.7	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-48.3	176	-56.3	-179.4	0	0	0	110.2	I379 I380 T381 N746 V756 K758 Y826	I379-L748 HydrophobicContact CB-CD2 3.7Å; I379-L748 HydrophobicContact CD1-CD2 4.44Å; I379-L748 HydrophobicContact CG2-CD1 3.83Å; I379-L748 HydrophobicContact CG2-CD2 3.48Å; I379-L748 VanDerWaalsContact CG2-CD2 3.48Å; I379-L748 HydrophobicContact CG2-CG 4.19Å; I380-L748 HydrophobicContact CB-CB 4.4Å; I380-L748 HydrophobicContact CB-CD1 4.32Å; I380-L748 HydrophobicContact CD1-CD1 4.34Å; I380-L748 CarbonylContact O-C 3.56Å; I380-L748 VanDerWaalsContact O-C 3.26Å; I380-L748 WeakPolarHBondContact O-CB 3.33Å; T381-L748 PolarHBondContact OG1-O 3.35Å; N746-L748 PolarHBondContact O-N 2.64Å; L748-V756 WeakPolarHBondContact CA-O 3.35Å; L748-V756 VanDerWaalsContact CB-O 3.3Å; L748-V756 WeakPolarHBondContact CB-O 3.34Å; L748-V756 HydrophobicContact CD1-CG1 4.27Å; L748-V756 PolarHBondContact N-O 2.81Å; L748-K758 HydrophobicContact CD1-CB 4.14Å; L748-K758 HydrophobicContact CD2-CB 3.91Å; L748-K758 HydrophobicContact CG-CB 4.15Å; L748-Y826 HydrophobicContact CD1-CE2 4.26Å
749	G	90.5	Very high	93.8	Very high	4 Å²	4	29.4 Å²	29.4	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	167.5	174.4	0	0	0	0	0	113.8	E755 V756	G749-E755 WeakPolarHBondContact O-CA 3.41Å; G749-V756 PolarHBondContact N-O 3.39Å; G749-V756 PolarHBondContact O-N 3.17Å
750	K	90.7	Very high	93.9	Very high	75 Å²	75	26.1 Å²	26.1	33%	0.326	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128	-176.2	-175.3	156.8	-179.5	158.3	0	110.7	N726 E755	N726-K750 HydrophobicContact CB-CB 4.22Å; N726-K750 HydrophobicContact CB-CD 4.01Å; K750-E755 HydrophobicContact CB-CB 4.17Å; K750-E755 HydrophobicContact CD-CB 4.13Å; K750-E755 WeakPolarHBondContact CE-OE2 3.46Å; K750-E755 HydrophobicContact CG-CB 4.02Å; K750-E755 IonicContact NZ-OE2 3.52Å; K750-E755 PolarHBondContact NZ-OE2 3.24Å
751	G	83.8	Confident	94.1	Very high	18 Å²	18	17.3 Å²	17.3	19%	0.186	10%	0.096	C	C	.	.			trans	-104.5	-165	171.5	0	0	0	0	0	111.2	F753 S754	G751-F753 PolarHBondContact O-N 3.31Å; G751-S754 PolarHBondContact N-O 3.46Å
752	G	80.6	Confident	94.1	Very high	49 Å²	49	14.5 Å²	14.5	51%	0.505	9%	0.086	S	C	.	.	S	Bend	trans	-67.3	-36.4	-174.5	0	0	0	0	0	115
753	F	85	Confident	93.9	Very high	79 Å²	79	19 Å²	19	35%	0.346	11%	0.113	S	C	.	.	S	Bend	trans	-131.9	10.3	-174	-51	-58.3	0	0	0	113.4	G751 H773 Q774 W779 Y787	G751-F753 PolarHBondContact O-N 3.31Å; F753-H773 WeakPolarHBondContact O-CA 3.21Å; F753-Q774 PolarHBondContact O-N 2.76Å; F753-W779 AromaticContact CD1-CH2 3.78Å; F753-W779 HydrophobicContact CD1-CH2 3.78Å; F753-W779 HydrophobicContact CD1-CZ2 4.24Å; F753-W779 AromaticContact CE1-CH2 3.53Å; F753-W779 HydrophobicContact CE1-CH2 3.53Å; F753-W779 AromaticContact CE1-CZ2 3.68Å; F753-W779 HydrophobicContact CE1-CZ2 3.68Å; F753-W779 HydrophobicContact CZ-CH2 4.07Å; F753-W779 HydrophobicContact CZ-CZ2 4.32Å; F753-Y787 HydrophobicContact CB-CE2 3.84Å; F753-Y787 WeakPolarHBondContact CB-OH 3.31Å; F753-Y787 AromaticContact CD2-CE2 3.81Å; F753-Y787 HydrophobicContact CD2-CE2 3.81Å; F753-Y787 AromaticContact CG-CE2 3.98Å; F753-Y787 HydrophobicContact CG-CE2 3.98Å
754	S	91.6	Very high	93.8	Very high	6 Å²	6	21.3 Å²	21.3	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	154.9	178.3	52.4	0	0	0	0	112	V383 G751 I772	V383-S754 WeakPolarHBondContact CG1-OG 3.31Å; G751-S754 PolarHBondContact N-O 3.46Å; S754-I772 CarbonylContact C-O 3.54Å; S754-I772 WeakPolarHBondContact CA-O 3.43Å; S754-I772 VanDerWaalsContact CB-O 3.26Å; S754-I772 WeakPolarHBondContact CB-O 3.4Å
755	E	94.8	Very high	93.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.5	170.1	61	-174.5	-119.8	0	0	110.1	S730 L747 G749 K750 H757 I772 Q774	S730-E755 WeakPolarHBondContact CB-OE1 3.46Å; S730-E755 PolarHBondContact OG-OE1 3.41Å; L747-E755 HydrophobicContact CD1-CB 3.86Å; L747-E755 HydrophobicContact CD1-CG 4.46Å; G749-E755 WeakPolarHBondContact O-CA 3.41Å; K750-E755 HydrophobicContact CB-CB 4.17Å; K750-E755 HydrophobicContact CD-CB 4.13Å; K750-E755 WeakPolarHBondContact CE-OE2 3.46Å; K750-E755 HydrophobicContact CG-CB 4.02Å; K750-E755 IonicContact NZ-OE2 3.52Å; K750-E755 PolarHBondContact NZ-OE2 3.24Å; E755-H757 IonicContact OE1-CD2 3.76Å; E755-H757 IonicContact OE1-CE1 2.71Å; E755-H757 IonicContact OE1-NE2 3.57Å; E755-H757 PolarHBondContact OE1-NE2 3.46Å; E755-I772 HydrophobicContact CG-CB 4.49Å; E755-I772 PolarHBondContact N-O 3.04Å; E755-I772 PolarHBondContact O-N 3.43Å; E755-Q774 PolarHBondContact OE2-NE2 2.64Å
756	V	95.7	Very high	93.6	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.9	-176	-176.3	0	0	0	0	108.6	V383 L748 G749 A769 C770 K771	V383-V756 HydrophobicContact CG1-CG2 4.49Å; V383-V756 HydrophobicContact CG2-CB 4.29Å; V383-V756 HydrophobicContact CG2-CG2 3.56Å; L748-V756 WeakPolarHBondContact CA-O 3.35Å; L748-V756 VanDerWaalsContact CB-O 3.3Å; L748-V756 WeakPolarHBondContact CB-O 3.34Å; L748-V756 HydrophobicContact CD1-CG1 4.27Å; L748-V756 PolarHBondContact N-O 2.81Å; G749-V756 PolarHBondContact N-O 3.39Å; G749-V756 PolarHBondContact O-N 3.17Å; V756-A769 HydrophobicContact CG1-CB 4.15Å; V756-C770 WeakPolarHBondContact CA-O 3.16Å; V756-K771 HydrophobicContact CG2-CB 4.07Å; V756-K771 HydrophobicContact CG2-CG 4.11Å
757	H	97.7	Very high	93.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	150.1	176.3	-72.6	-96.7	0	0	0	111.3	L744 N746 E755 G759 A769 C770	L744-H757 HydrophobicContact CD2-CB 4.12Å; N746-H757 WeakPolarHBondContact O-CA 3.16Å; E755-H757 IonicContact OE1-CD2 3.76Å; E755-H757 IonicContact OE1-CE1 2.71Å; E755-H757 IonicContact OE1-NE2 3.57Å; E755-H757 PolarHBondContact OE1-NE2 3.46Å; H757-G759 PolarHBondContact O-N 3.3Å; H757-A769 WeakPolarHBondContact O-CA 3.32Å; H757-C770 PolarHBondContact N-O 3.31Å; H757-C770 PolarHBondContact O-N 3.3Å
758	K	97.6	Very high	93.8	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.065	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.7	160.1	-173.2	174.7	-177.6	179.4	0	106.5	I379 L745 N746 L748 Y767 Y826	I379-K758 HydrophobicContact CD1-CD 4.38Å; L745-K758 WeakPolarHBondContact CA-O 3.49Å; L745-K758 HydrophobicContact CB-CB 4.38Å; L745-K758 WeakPolarHBondContact CB-O 3.26Å; L745-K758 HydrophobicContact CD1-CG 4.38Å; L745-K758 PolarHBondContact N-O 2.85Å; N746-K758 PolarHBondContact O-N 3.48Å; L748-K758 HydrophobicContact CD1-CB 4.14Å; L748-K758 HydrophobicContact CD2-CB 3.91Å; L748-K758 HydrophobicContact CG-CB 4.15Å; K758-Y767 HydrophobicContact CD-CD1 4.41Å; K758-Y767 VanDerWaalsContact CE-CD1 3.43Å; K758-Y767 HydrophobicContact CG-CD1 4.24Å; K758-Y826 HydrophobicContact CB-CE2 4.41Å; K758-Y826 HydrophobicContact CD-CE2 4.05Å; K758-Y826 WeakPolarHBondContact CE-OH 3.46Å; K758-Y826 HydrophobicContact CG-CD2 4.38Å; K758-Y826 HydrophobicContact CG-CE2 3.77Å
759	G	97.9	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	167.4	174	0	0	0	0	0	111.7	L743 H757 Y767 V768	L743-G759 CarbonylContact O-C 3.43Å; L743-G759 WeakPolarHBondContact O-CA 3.46Å; H757-G759 PolarHBondContact O-N 3.3Å; G759-Y767 WeakPolarHBondContact O-CA 3.44Å; G759-V768 PolarHBondContact N-O 3.44Å; G759-V768 PolarHBondContact O-N 2.93Å
760	F	98.4	Very high	94.4	Very high	20 Å²	20	32 Å²	32	9%	0.088	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.7	166.8	-167.8	-90.2	0	0	0	110.1	I584 L588 Y742 L743 L745 L762 N765 Y767	I584-F760 HydrophobicContact CG2-CE1 3.97Å; I584-F760 HydrophobicContact CG2-CZ 4.45Å; L588-F760 HydrophobicContact CD1-CB 3.76Å; L588-F760 HydrophobicContact CD1-CD1 3.59Å; L588-F760 HydrophobicContact CD1-CD2 3.9Å; L588-F760 HydrophobicContact CD1-CE1 4.09Å; L588-F760 HydrophobicContact CD1-CE2 4.37Å; L588-F760 HydrophobicContact CD1-CG 3.47Å; L588-F760 VanDerWaalsContact CD1-CG 3.47Å; L588-F760 HydrophobicContact CD1-CZ 4.45Å; L588-F760 HydrophobicContact CD2-CD2 4.47Å; Y742-F760 WeakPolarHBondContact CA-O 3.37Å; L743-F760 PolarHBondContact N-O 2.91Å; L743-F760 PolarHBondContact O-N 2.92Å; L745-F760 HydrophobicContact CD1-CB 4.5Å; F760-L762 HydrophobicContact CD1-CD2 3.79Å; F760-L762 HydrophobicContact CD1-CG 4.24Å; F760-L762 HydrophobicContact CE1-CD2 4.13Å; F760-L762 PolarHBondContact O-N 3.05Å; F760-N765 VanDerWaalsContact CZ-C 3.42Å; F760-N765 HydrophobicContact CZ-CB 4.24Å; F760-Y767 AromaticContact CD2-CD1 3.79Å; F760-Y767 HydrophobicContact CD2-CD1 3.79Å; F760-Y767 AromaticContact CD2-CE1 3.82Å; F760-Y767 HydrophobicContact CD2-CE1 3.82Å; F760-Y767 HydrophobicContact CD2-CG 4.17Å
761	D	98.1	Very high	94.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	96.5	176	-178.9	-17.2	0	0	0	108.3	R741 Y742 V763 A764 N765 R766 V768	R741-D761 IonicContact CZ-OD1 3.39Å; R741-D761 IonicContact CZ-OD2 2.79Å; R741-D761 IonicContact NE-OD1 2.78Å; R741-D761 PolarHBondContact NE-OD1 3.03Å; R741-D761 IonicContact NE-OD2 3.7Å; R741-D761 IonicContact NH2-OD1 3.62Å; R741-D761 PolarHBondContact NH2-OD1 2.88Å; R741-D761 IonicContact NH2-OD2 2.81Å; R741-D761 PolarHBondContact NH2-OD2 2.94Å; Y742-D761 HydrophobicContact CD1-CB 4.03Å; Y742-D761 HydrophobicContact CE1-CB 3.85Å; D761-V763 PolarHBondContact O-N 3.48Å; D761-V763 VanDerWaalsContact O-N 3.07Å; D761-V763 PolarHBondContact OD1-N 3.27Å; D761-A764 HydrophobicContact CB-CB 4.42Å; D761-A764 PolarHBondContact O-N 2.74Å; D761-A764 PolarHBondContact OD1-N 2.99Å; D761-A764 WeakPolarHBondContact OD2-CB 3.5Å; D761-N765 WeakPolarHBondContact O-CA 3.49Å; D761-N765 PolarHBondContact O-N 2.79Å; D761-R766 HydrophobicContact CB-CG 3.9Å; D761-R766 PolarHBondContact N-O 2.84Å; D761-R766 IonicContact OD2-CZ 3.54Å; D761-R766 IonicContact OD2-NE 3.75Å; D761-R766 PolarHBondContact OD2-NE 3.28Å; D761-R766 VanDerWaalsContact OD2-NE 3.16Å; D761-R766 IonicContact OD2-NH2 3.46Å; D761-R766 PolarHBondContact OD2-NH2 3.24Å; D761-R766 VanDerWaalsContact OD2-NH2 3.09Å; D761-V768 HydrophobicContact CB-CG1 4.04Å
762	L	96.3	Very high	95.2	Very high	9 Å²	9	28.2 Å²	28.2	5%	0.047	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.1	-177	-69.5	170.8	0	0	0	114	R581 I584 R585 L737 R741 L743 F760	R581-L762 WeakPolarHBondContact CD-O 3.45Å; I584-L762 HydrophobicContact CG2-CD2 3.9Å; R585-L762 HydrophobicContact CB-CD1 4.46Å; L737-L762 HydrophobicContact CD1-CD1 3.77Å; R741-L762 PolarHBondContact O-N 2.76Å; L743-L762 HydrophobicContact CB-CD1 4.24Å; L743-L762 HydrophobicContact CB-CG 4.45Å; F760-L762 HydrophobicContact CD1-CD2 3.79Å; F760-L762 HydrophobicContact CD1-CG 4.24Å; F760-L762 HydrophobicContact CE1-CD2 4.13Å; F760-L762 PolarHBondContact O-N 3.05Å
763	V	94.3	Very high	95.8	Very high	95 Å²	95	25.9 Å²	25.9	58%	0.576	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-41	175.7	175.1	0	0	0	0	111	R741 D761	R741-V763 HydrophobicContact CB-CG2 4.48Å; R741-V763 HydrophobicContact CG-CB 4.2Å; R741-V763 HydrophobicContact CG-CG2 3.87Å; D761-V763 PolarHBondContact O-N 3.48Å; D761-V763 VanDerWaalsContact O-N 3.07Å; D761-V763 PolarHBondContact OD1-N 3.27Å
764	A	95.9	Very high	96	Very high	48 Å²	48	24.2 Å²	24.2	40%	0.397	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	3.6	177.5	0	0	0	0	0	114.4	D761 R766	D761-A764 HydrophobicContact CB-CB 4.42Å; D761-A764 PolarHBondContact O-N 2.74Å; D761-A764 PolarHBondContact OD1-N 2.99Å; D761-A764 WeakPolarHBondContact OD2-CB 3.5Å; A764-R766 HydrophobicContact CB-CG 4.1Å; A764-R766 PolarHBondContact O-N 3.27Å
765	N	95.6	Very high	95.9	Very high	97 Å²	97	24.3 Å²	24.3	52%	0.519	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	51.1	177.9	-67.5	-37.8	0	0	0	114.6	F760 D761	F760-N765 VanDerWaalsContact CZ-C 3.42Å; F760-N765 HydrophobicContact CZ-CB 4.24Å; D761-N765 WeakPolarHBondContact O-CA 3.49Å; D761-N765 PolarHBondContact O-N 2.79Å
766	R	96.8	Very high	95.6	Very high	79 Å²	79	27 Å²	27	30%	0.298	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.2	-176.3	62	-175.8	176.3	165.8	3.4	112.3	D761 A764 V768 F810	D761-R766 HydrophobicContact CB-CG 3.9Å; D761-R766 PolarHBondContact N-O 2.84Å; D761-R766 IonicContact OD2-CZ 3.54Å; D761-R766 IonicContact OD2-NE 3.75Å; D761-R766 PolarHBondContact OD2-NE 3.28Å; D761-R766 VanDerWaalsContact OD2-NE 3.16Å; D761-R766 IonicContact OD2-NH2 3.46Å; D761-R766 PolarHBondContact OD2-NH2 3.24Å; D761-R766 VanDerWaalsContact OD2-NH2 3.09Å; A764-R766 HydrophobicContact CB-CG 4.1Å; A764-R766 PolarHBondContact O-N 3.27Å; R766-V768 HydrophobicContact CG-CG1 4.34Å; R766-F810 VanDerWaalsContact NH1-CE1 3.31Å
767	Y	97.5	Very high	95.2	Very high	72 Å²	72	31.1 Å²	31.1	28%	0.282	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	145.4	166.7	-66.8	-72.1	0	0	0	111.2	L588 L745 K758 G759 F760	L588-Y767 HydrophobicContact CD2-CE1 4.14Å; L745-Y767 HydrophobicContact CD1-CD1 4.3Å; L745-Y767 HydrophobicContact CD1-CE1 3.86Å; K758-Y767 HydrophobicContact CD-CD1 4.41Å; K758-Y767 VanDerWaalsContact CE-CD1 3.43Å; K758-Y767 HydrophobicContact CG-CD1 4.24Å; G759-Y767 WeakPolarHBondContact O-CA 3.44Å; F760-Y767 AromaticContact CD2-CD1 3.79Å; F760-Y767 HydrophobicContact CD2-CD1 3.79Å; F760-Y767 AromaticContact CD2-CE1 3.82Å; F760-Y767 HydrophobicContact CD2-CE1 3.82Å; F760-Y767 HydrophobicContact CD2-CG 4.17Å
768	V	98.1	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	162.7	177.8	-64.4	0	0	0	0	109.8	Y742 G759 D761 R766 F810 V823	Y742-V768 HydrophobicContact CD1-CG2 4.08Å; G759-V768 PolarHBondContact N-O 3.44Å; G759-V768 PolarHBondContact O-N 2.93Å; D761-V768 HydrophobicContact CB-CG1 4.04Å; R766-V768 HydrophobicContact CG-CG1 4.34Å; V768-F810 HydrophobicContact CG1-CD2 3.88Å; V768-F810 HydrophobicContact CG1-CE2 4.15Å; V768-V823 HydrophobicContact CB-CG1 3.67Å; V768-V823 HydrophobicContact CG1-CG1 3.87Å; V768-V823 HydrophobicContact CG2-CG1 3.87Å
769	A	97.6	Very high	94.3	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.5	168.8	0	0	0	0	0	109.5	V756 H757 L824	V756-A769 HydrophobicContact CG1-CB 4.15Å; H757-A769 WeakPolarHBondContact O-CA 3.32Å; A769-L824 HydrophobicContact CB-CB 4.24Å; A769-L824 PolarHBondContact N-O 3.16Å; A769-L824 WeakPolarHBondContact O-CB 3.45Å; A769-L824 PolarHBondContact O-N 3.13Å
770	C	97.7	Very high	94	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	99.2	-178.1	-64.6	0	0	0	0	109.6	L744 V756 H757 I772	L744-C770 HydrophobicContact CD2-CB 3.73Å; V756-C770 WeakPolarHBondContact CA-O 3.16Å; H757-C770 PolarHBondContact N-O 3.31Å; H757-C770 PolarHBondContact O-N 3.3Å; C770-I772 PolarHBondContact O-N 3.38Å
771	K	95.6	Very high	93.5	Very high	12 Å²	12	46.1 Å²	46.1	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	95.6	173	-178.9	178.3	176	178.2	0	108.1	V756 H773 E794 T822 L824 D893	V756-K771 HydrophobicContact CG2-CB 4.07Å; V756-K771 HydrophobicContact CG2-CG 4.11Å; K771-H773 PolarHBondContact O-CD2 3.39Å; K771-E794 IonicContact NZ-OE1 2.75Å; K771-E794 PolarHBondContact NZ-OE1 3.02Å; K771-E794 IonicContact NZ-OE2 2.63Å; K771-E794 PolarHBondContact NZ-OE2 3.27Å; K771-T822 PolarHBondContact N-O 2.84Å; K771-T822 PolarHBondContact O-N 3.23Å; K771-L824 HydrophobicContact CB-CD1 4.24Å; K771-D893 IonicContact NZ-OD1 3.7Å; K771-D893 PolarHBondContact NZ-OD1 3.18Å
772	I	95.6	Very high	93.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.3	179	-53.4	174.4	0	0	0	108.5	F732 L738 L744 S754 E755 C770 Q774 I815	F732-I772 HydrophobicContact CB-CD1 4.42Å; F732-I772 HydrophobicContact CD1-CD1 4.08Å; F732-I772 HydrophobicContact CD2-CD1 3.88Å; F732-I772 HydrophobicContact CD2-CG2 4.43Å; F732-I772 HydrophobicContact CE1-CD1 4.29Å; F732-I772 HydrophobicContact CE2-CD1 4.1Å; F732-I772 HydrophobicContact CE2-CG2 3.7Å; F732-I772 HydrophobicContact CG-CD1 3.87Å; F732-I772 HydrophobicContact CZ-CD1 4.3Å; F732-I772 HydrophobicContact CZ-CG2 3.88Å; L738-I772 HydrophobicContact CD1-CD1 4.1Å; L744-I772 HydrophobicContact CD1-CD1 3.66Å; S754-I772 CarbonylContact C-O 3.54Å; S754-I772 WeakPolarHBondContact CA-O 3.43Å; S754-I772 VanDerWaalsContact CB-O 3.26Å; S754-I772 WeakPolarHBondContact CB-O 3.4Å; E755-I772 HydrophobicContact CG-CB 4.49Å; E755-I772 PolarHBondContact N-O 3.04Å; E755-I772 PolarHBondContact O-N 3.43Å; C770-I772 PolarHBondContact O-N 3.38Å; I772-Q774 HydrophobicContact CG2-CG 4.19Å; I772-I815 HydrophobicContact CD1-CD1 4.39Å; I772-I815 HydrophobicContact CG1-CD1 4.33Å; I772-I815 HydrophobicContact CG2-CD1 3.59Å
773	H	93.2	Very high	92.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.5	172.5	-62	-115.5	0	0	0	108.5	F753 K771 Y787 A819 F820	F753-H773 WeakPolarHBondContact O-CA 3.21Å; K771-H773 PolarHBondContact O-CD2 3.39Å; H773-Y787 HydrophobicContact CB-CE1 4.5Å; H773-Y787 PolarHBondContact ND1-OH 3.17Å; H773-A819 WeakPolarHBondContact O-CA 3.21Å; H773-A819 WeakPolarHBondContact O-CB 3.38Å; H773-F820 HydrophobicContact CB-CD1 4.12Å; H773-F820 HydrophobicContact CB-CD2 4.13Å; H773-F820 HydrophobicContact CB-CE1 3.65Å; H773-F820 HydrophobicContact CB-CE2 3.66Å; H773-F820 HydrophobicContact CB-CG 4.33Å; H773-F820 HydrophobicContact CB-CZ 3.38Å; H773-F820 AromaticContact CD2-CD2 3.89Å; H773-F820 AromaticContact CD2-CE2 3.32Å; H773-F820 WeakPolarHBondContact CD2-CE2 3.42Å; H773-F820 AromaticContact CD2-CZ 3.88Å; H773-F820 AromaticContact CG-CE2 3.35Å; H773-F820 AromaticContact CG-CZ 3.38Å; H773-F820 PolarHBondContact N-O 3.12Å; H773-F820 AromaticContact ND1-CE2 3.81Å; H773-F820 AromaticContact ND1-CZ 3.63Å; H773-F820 AromaticContact NE2-CE2 3.8Å; H773-F820 PolarHBondContact O-N 3.35Å
774	Q	90.9	Very high	92.4	Very high	43 Å²	43	51.8 Å²	51.8	20%	0.201	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114	-179.7	-73.7	178.4	97.8	0	0	109.2	F732 F753 E755 I772 A819	F732-Q774 HydrophobicContact CE2-CG 4.23Å; F753-Q774 PolarHBondContact O-N 2.76Å; E755-Q774 PolarHBondContact OE2-NE2 2.64Å; I772-Q774 HydrophobicContact CG2-CG 4.19Å; Q774-A819 HydrophobicContact CG-CB 4.24Å
775	L	89.1	Confident	92	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.047	27%	0.271	C	S	.	.			trans	-80.6	147.9	175.3	-47.1	-175.5	0	0	0	108.7	P777 K784 Y787 I788 D818	L775-P777 VanDerWaalsContact O-CD 3.3Å; L775-P777 WeakPolarHBondContact O-CD 3.38Å; L775-K784 HydrophobicContact CB-CG 4.44Å; L775-K784 HydrophobicContact CD1-CB 3.89Å; L775-K784 HydrophobicContact CD1-CD 4.29Å; L775-K784 HydrophobicContact CD1-CG 4.04Å; L775-Y787 HydrophobicContact CD2-CD1 3.2Å; L775-Y787 HydrophobicContact CD2-CE1 3.54Å; L775-Y787 HydrophobicContact CD2-CG 3.97Å; L775-I788 HydrophobicContact CD1-CD1 3.8Å; L775-I788 HydrophobicContact CD1-CG1 3.88Å; L775-D818 HydrophobicContact CB-CB 4.36Å; L775-D818 WeakPolarHBondContact CB-O 3.5Å; L775-D818 WeakPolarHBondContact CG-O 3.28Å; L775-D818 PolarHBondContact N-O 3.4Å
776	N	88	Confident	91.6	Very high	55 Å²	55	51.9 Å²	51.9	29%	0.294	27%	0.268	S	S	.	.			trans	-71.4	122.6	171.3	-175	-24.4	0	0	0	108.8	S778 W779 K784	N776-S778 PolarHBondContact O-N 3.09Å; N776-S778 VanDerWaalsContact O-N 3.09Å; N776-S778 PolarHBondContact OD1-N 2.83Å; N776-S778 VanDerWaalsContact OD1-N 3.14Å; N776-S778 PolarHBondContact OD1-OG 2.86Å; N776-W779 HydrophobicContact CB-CD2 4.01Å; N776-W779 HydrophobicContact CB-CG 3.96Å; N776-W779 HydrophobicContact CB-CZ2 4.46Å; N776-W779 WeakPolarHBondContact O-CB 3.15Å; N776-W779 PolarHBondContact O-N 2.86Å; N776-K784 VanDerWaalsContact O-CE 3.25Å; N776-K784 WeakPolarHBondContact O-CE 3.3Å
777	P	86.4	Confident	91	Very high	94 Å²	94	49.3 Å²	49.3	61%	0.61	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.8	-176.5	-28.2	37.2	0	0	0	114.5	L775 W779 K784 D818	L775-P777 VanDerWaalsContact O-CD 3.3Å; L775-P777 WeakPolarHBondContact O-CD 3.38Å; P777-W779 VanDerWaalsContact C-N 3.32Å; P777-W779 PolarHBondContact O-N 3.01Å; P777-K784 PolarHBondContact O-NZ 2.81Å; P777-D818 VanDerWaalsContact CA-OD2 3.26Å; P777-D818 WeakPolarHBondContact CA-OD2 3.45Å; P777-D818 WeakPolarHBondContact CB-OD2 3.49Å
778	S	89.9	Confident	90.5	Very high	93 Å²	93	48.1 Å²	48.1	65%	0.65	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.7	179.2	68.7	0	0	0	0	115.1	N776	N776-S778 PolarHBondContact O-N 3.09Å; N776-S778 VanDerWaalsContact O-N 3.09Å; N776-S778 PolarHBondContact OD1-N 2.83Å; N776-S778 VanDerWaalsContact OD1-N 3.14Å; N776-S778 PolarHBondContact OD1-OG 2.86Å
779	W	87.6	Confident	89.9	Confident	41 Å²	41	54.6 Å²	54.6	16%	0.155	29%	0.285	C	S	.	.	S	Bend	trans	-69	139.1	176.2	-77	1.1	0	0	0	112	F753 N776 P777 K783 K784 Y787	F753-W779 AromaticContact CD1-CH2 3.78Å; F753-W779 HydrophobicContact CD1-CH2 3.78Å; F753-W779 HydrophobicContact CD1-CZ2 4.24Å; F753-W779 AromaticContact CE1-CH2 3.53Å; F753-W779 HydrophobicContact CE1-CH2 3.53Å; F753-W779 AromaticContact CE1-CZ2 3.68Å; F753-W779 HydrophobicContact CE1-CZ2 3.68Å; F753-W779 HydrophobicContact CZ-CH2 4.07Å; F753-W779 HydrophobicContact CZ-CZ2 4.32Å; N776-W779 HydrophobicContact CB-CD2 4.01Å; N776-W779 HydrophobicContact CB-CG 3.96Å; N776-W779 HydrophobicContact CB-CZ2 4.46Å; N776-W779 WeakPolarHBondContact O-CB 3.15Å; N776-W779 PolarHBondContact O-N 2.86Å; P777-W779 VanDerWaalsContact C-N 3.32Å; P777-W779 PolarHBondContact O-N 3.01Å; W779-K783 HydrophobicContact CB-CB 4.4Å; W779-K783 HydrophobicContact CB-CD 4.34Å; W779-K783 HydrophobicContact CD2-CD 3.73Å; W779-K783 HydrophobicContact CD2-CG 4.02Å; W779-K783 HydrophobicContact CE3-CD 4.11Å; W779-K783 HydrophobicContact CE3-CG 3.89Å; W779-K783 HydrophobicContact CG-CD 3.84Å; W779-K783 HydrophobicContact CG-CG 4.31Å; W779-K783 HydrophobicContact CZ3-CG 4.44Å; W779-K784 HydrophobicContact CB-CG 3.94Å; W779-K784 VanDerWaalsContact O-CE 3.3Å; W779-K784 WeakPolarHBondContact O-CE 3.39Å; W779-Y787 HydrophobicContact CZ3-CD2 4.45Å; W779-Y787 HydrophobicContact CZ3-CG 4.45Å
780	P	91.4	Very high	89.2	Confident	87 Å²	87	57.1 Å²	57.1	57%	0.565	30%	0.296	S	S	*	.			trans	-55.1	149.2	169.2	-24.7	34.3	0	0	0	111.7	D782 K783 K784	P780-D782 VanDerWaalsContact C-N 3.3Å; P780-D782 PolarHBondContact O-N 3.26Å; P780-K783 WeakPolarHBondContact O-CB 3.31Å; P780-K783 PolarHBondContact O-N 2.9Å; P780-K784 PolarHBondContact O-N 2.94Å; P780-K784 VanDerWaalsContact O-N 3.16Å
781	K	88.9	Confident	88.6	Confident	129 Å²	129	57.3 Å²	57.3	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-52.2	-48	-177.2	-172.4	177.6	-175.6	-76	0	111.8	K783 K784 D785	K781-K783 PolarHBondContact O-N 2.89Å; K781-K783 VanDerWaalsContact O-N 3.12Å; K781-K784 CarbonylContact O-C 3.56Å; K781-K784 WeakPolarHBondContact O-CA 3.19Å; K781-K784 WeakPolarHBondContact O-CB 3.37Å; K781-K784 PolarHBondContact O-N 3.25Å; K781-D785 WeakPolarHBondContact CG-OD1 3.46Å; K781-D785 IonicContact NZ-OD1 3.34Å; K781-D785 PolarHBondContact NZ-OD1 2.88Å; K781-D785 IonicContact NZ-OD2 3.45Å; K781-D785 PolarHBondContact NZ-OD2 2.92Å; K781-D785 WeakPolarHBondContact O-CB 3.43Å; K781-D785 PolarHBondContact O-N 2.98Å
782	D	89.7	Confident	88.1	Confident	114 Å²	114	60.8 Å²	60.8	61%	0.61	32%	0.316	S	S	*	.	H	α-helix	trans	-59.5	-29.7	-179.2	-45.4	-32.7	0	0	0	112.9	P780 N786	P780-D782 VanDerWaalsContact C-N 3.3Å; P780-D782 PolarHBondContact O-N 3.26Å; D782-N786 VanDerWaalsContact O-CB 3.27Å; D782-N786 WeakPolarHBondContact O-CB 3.47Å; D782-N786 VanDerWaalsContact O-CG 3.31Å; D782-N786 PolarHBondContact O-N 3.2Å; D782-N786 PolarHBondContact O-ND2 2.66Å
783	K	87.9	Confident	87.5	Confident	93 Å²	93	66.6 Å²	66.6	40%	0.404	34%	0.338	S	S	.	.	H	α-helix	trans	-75.8	-37.8	174.8	-172.7	174.7	179.9	178.5	0	111.6	W779 P780 K781 Y787	W779-K783 HydrophobicContact CB-CB 4.4Å; W779-K783 HydrophobicContact CB-CD 4.34Å; W779-K783 HydrophobicContact CD2-CD 3.73Å; W779-K783 HydrophobicContact CD2-CG 4.02Å; W779-K783 HydrophobicContact CE3-CD 4.11Å; W779-K783 HydrophobicContact CE3-CG 3.89Å; W779-K783 HydrophobicContact CG-CD 3.84Å; W779-K783 HydrophobicContact CG-CG 4.31Å; W779-K783 HydrophobicContact CZ3-CG 4.44Å; P780-K783 WeakPolarHBondContact O-CB 3.31Å; P780-K783 PolarHBondContact O-N 2.9Å; K781-K783 PolarHBondContact O-N 2.89Å; K781-K783 VanDerWaalsContact O-N 3.12Å; K783-Y787 PolarHBondContact O-N 3.03Å; K783-Y787 VanDerWaalsContact O-N 3.13Å
784	K	86.9	Confident	87.1	Confident	16 Å²	16	67.6 Å²	67.6	7%	0.07	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-52.9	171.8	-66	-174.3	-177.8	177.4	0	110.5	L775 N776 P777 W779 P780 K781 N786 Y787 I788 D818	L775-K784 HydrophobicContact CB-CG 4.44Å; L775-K784 HydrophobicContact CD1-CB 3.89Å; L775-K784 HydrophobicContact CD1-CD 4.29Å; L775-K784 HydrophobicContact CD1-CG 4.04Å; N776-K784 VanDerWaalsContact O-CE 3.25Å; N776-K784 WeakPolarHBondContact O-CE 3.3Å; P777-K784 PolarHBondContact O-NZ 2.81Å; W779-K784 HydrophobicContact CB-CG 3.94Å; W779-K784 VanDerWaalsContact O-CE 3.3Å; W779-K784 WeakPolarHBondContact O-CE 3.39Å; P780-K784 PolarHBondContact O-N 2.94Å; P780-K784 VanDerWaalsContact O-N 3.16Å; K781-K784 CarbonylContact O-C 3.56Å; K781-K784 WeakPolarHBondContact O-CA 3.19Å; K781-K784 WeakPolarHBondContact O-CB 3.37Å; K781-K784 PolarHBondContact O-N 3.25Å; K784-N786 VanDerWaalsContact C-N 3.34Å; K784-N786 PolarHBondContact O-N 2.93Å; K784-Y787 PolarHBondContact O-N 3.15Å; K784-Y787 VanDerWaalsContact O-N 3.11Å; K784-I788 VanDerWaalsContact O-CG1 3.27Å; K784-I788 WeakPolarHBondContact O-CG1 3.24Å; K784-I788 PolarHBondContact O-N 3.42Å; K784-D818 WeakPolarHBondContact CD-OD1 3.15Å; K784-D818 WeakPolarHBondContact CE-OD1 3.5Å; K784-D818 IonicContact NZ-OD1 2.72Å; K784-D818 PolarHBondContact NZ-OD1 3.41Å; K784-D818 IonicContact NZ-OD2 2.92Å; K784-D818 PolarHBondContact NZ-OD2 3.16Å
785	D	87.7	Confident	87	Confident	63 Å²	63	65.8 Å²	65.8	34%	0.337	33%	0.334	S	S	.	.	H	α-helix	trans	-57	-43.1	179.2	-70.3	8.9	0	0	0	112.1	K781 I788 K789	K781-D785 WeakPolarHBondContact CG-OD1 3.46Å; K781-D785 IonicContact NZ-OD1 3.34Å; K781-D785 PolarHBondContact NZ-OD1 2.88Å; K781-D785 IonicContact NZ-OD2 3.45Å; K781-D785 PolarHBondContact NZ-OD2 2.92Å; K781-D785 WeakPolarHBondContact O-CB 3.43Å; K781-D785 PolarHBondContact O-N 2.98Å; D785-I788 PolarHBondContact O-N 2.89Å; D785-K789 VanDerWaalsContact O-CB 3.26Å; D785-K789 WeakPolarHBondContact O-CB 3.44Å; D785-K789 PolarHBondContact O-N 2.95Å
786	N	86.4	Confident	87	Confident	85 Å²	85	71.9 Å²	71.9	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-44.1	174.9	-82.4	-54.7	0	0	0	112.5	D782 K784 K789 H790	D782-N786 VanDerWaalsContact O-CB 3.27Å; D782-N786 WeakPolarHBondContact O-CB 3.47Å; D782-N786 VanDerWaalsContact O-CG 3.31Å; D782-N786 PolarHBondContact O-N 3.2Å; D782-N786 PolarHBondContact O-ND2 2.66Å; K784-N786 VanDerWaalsContact C-N 3.34Å; K784-N786 PolarHBondContact O-N 2.93Å; N786-K789 PolarHBondContact O-N 2.63Å; N786-H790 PolarHBondContact O-CD2 3.03Å; N786-H790 PolarHBondContact O-N 3.38Å
787	Y	85.8	Confident	87.1	Confident	25 Å²	25	69.6 Å²	69.6	10%	0.098	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-45.5	175.6	178.7	-81.6	0	0	0	111.5	F753 H773 L775 W779 K783 K784 K789 H790 A791 F820	F753-Y787 HydrophobicContact CB-CE2 3.84Å; F753-Y787 WeakPolarHBondContact CB-OH 3.31Å; F753-Y787 AromaticContact CD2-CE2 3.81Å; F753-Y787 HydrophobicContact CD2-CE2 3.81Å; F753-Y787 AromaticContact CG-CE2 3.98Å; F753-Y787 HydrophobicContact CG-CE2 3.98Å; H773-Y787 HydrophobicContact CB-CE1 4.5Å; H773-Y787 PolarHBondContact ND1-OH 3.17Å; L775-Y787 HydrophobicContact CD2-CD1 3.2Å; L775-Y787 HydrophobicContact CD2-CE1 3.54Å; L775-Y787 HydrophobicContact CD2-CG 3.97Å; W779-Y787 HydrophobicContact CZ3-CD2 4.45Å; W779-Y787 HydrophobicContact CZ3-CG 4.45Å; K783-Y787 PolarHBondContact O-N 3.03Å; K783-Y787 VanDerWaalsContact O-N 3.13Å; K784-Y787 PolarHBondContact O-N 3.15Å; K784-Y787 VanDerWaalsContact O-N 3.11Å; Y787-K789 VanDerWaalsContact C-N 3.33Å; Y787-K789 PolarHBondContact O-N 3.37Å; Y787-H790 WeakPolarHBondContact O-CB 3.23Å; Y787-H790 PolarHBondContact O-N 3.2Å; Y787-H790 VanDerWaalsContact O-N 3.11Å; Y787-A791 HydrophobicContact CE1-CB 4.22Å; Y787-A791 PolarHBondContact O-N 2.95Å; Y787-F820 HydrophobicContact CE1-CE1 4.48Å; Y787-F820 HydrophobicContact CE1-CZ 4.35Å
788	I	85.8	Confident	87.5	Confident	47 Å²	47	65.3 Å²	65.3	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-58.1	-46.3	176.2	-67	162.9	0	0	0	109.8	L775 K784 D785 H790 A791 L792 F820	L775-I788 HydrophobicContact CD1-CD1 3.8Å; L775-I788 HydrophobicContact CD1-CG1 3.88Å; K784-I788 VanDerWaalsContact O-CG1 3.27Å; K784-I788 WeakPolarHBondContact O-CG1 3.24Å; K784-I788 PolarHBondContact O-N 3.42Å; D785-I788 PolarHBondContact O-N 2.89Å; I788-H790 VanDerWaalsContact C-N 3.27Å; I788-H790 PolarHBondContact O-N 3.13Å; I788-A791 PolarHBondContact O-N 3.46Å; I788-L792 HydrophobicContact CG2-CD1 3.65Å; I788-L792 HydrophobicContact CG2-CG 4.01Å; I788-L792 WeakPolarHBondContact O-CB 3.12Å; I788-L792 WeakPolarHBondContact O-CG 3.27Å; I788-L792 PolarHBondContact O-N 3.01Å; I788-F820 HydrophobicContact CG1-CE1 4.31Å
789	K	86.1	Confident	87.6	Confident	135 Å²	135	65.6 Å²	65.6	59%	0.587	31%	0.312	S	S	*	.	H	α-helix	trans	-60.3	-32	176.3	-174.7	173.5	-175.8	171.6	0	113.5	D785 N786 Y787	D785-K789 VanDerWaalsContact O-CB 3.26Å; D785-K789 WeakPolarHBondContact O-CB 3.44Å; D785-K789 PolarHBondContact O-N 2.95Å; N786-K789 PolarHBondContact O-N 2.63Å; Y787-K789 VanDerWaalsContact C-N 3.33Å; Y787-K789 PolarHBondContact O-N 3.37Å
790	H	82.6	Confident	87.8	Confident	57 Å²	57	66.6 Å²	66.6	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-73.3	-46.3	172.5	-83.6	-74.8	0	0	0	112.4	N786 Y787 I788 R793 E794	N786-H790 PolarHBondContact O-CD2 3.03Å; N786-H790 PolarHBondContact O-N 3.38Å; Y787-H790 WeakPolarHBondContact O-CB 3.23Å; Y787-H790 PolarHBondContact O-N 3.2Å; Y787-H790 VanDerWaalsContact O-N 3.11Å; I788-H790 VanDerWaalsContact C-N 3.27Å; I788-H790 PolarHBondContact O-N 3.13Å; H790-R793 WeakPolarHBondContact O-CB 3.36Å; H790-R793 PolarHBondContact O-N 3.05Å; H790-E794 PolarHBondContact O-N 3.17Å
791	A	84.6	Confident	88	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-69.8	-36.6	-179.5	0	0	0	0	0	113.1	Y787 I788 R793 E794 I795 F820	Y787-A791 HydrophobicContact CE1-CB 4.22Å; Y787-A791 PolarHBondContact O-N 2.95Å; I788-A791 PolarHBondContact O-N 3.46Å; A791-R793 PolarHBondContact O-N 3.18Å; A791-E794 WeakPolarHBondContact O-CB 3.42Å; A791-E794 PolarHBondContact O-N 2.86Å; A791-I795 WeakPolarHBondContact O-CB 3.41Å; A791-I795 WeakPolarHBondContact O-CD1 3.24Å; A791-I795 WeakPolarHBondContact O-CG1 3.26Å; A791-I795 PolarHBondContact O-N 2.91Å; A791-F820 HydrophobicContact CB-CE2 4.13Å; A791-F820 HydrophobicContact CB-CZ 3.56Å
792	L	85.3	Confident	88.3	Confident	86 Å²	86	63 Å²	63	45%	0.45	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-31.6	173.1	-72.1	177.8	0	0	0	112	I788 I795 E796	I788-L792 HydrophobicContact CG2-CD1 3.65Å; I788-L792 HydrophobicContact CG2-CG 4.01Å; I788-L792 WeakPolarHBondContact O-CB 3.12Å; I788-L792 WeakPolarHBondContact O-CG 3.27Å; I788-L792 PolarHBondContact O-N 3.01Å; L792-I795 HydrophobicContact CD2-CD1 4.46Å; L792-I795 PolarHBondContact O-N 2.73Å; L792-E796 VanDerWaalsContact O-CB 3.26Å; L792-E796 WeakPolarHBondContact O-CB 3.43Å; L792-E796 PolarHBondContact O-N 3.17Å
793	R	83.6	Confident	88.6	Confident	121 Å²	121	58.9 Å²	58.9	46%	0.457	28%	0.277	S	S	.	.	H	α-helix	trans	-69.9	-41.8	172.9	-173.4	-172.5	-63.7	160	0.7	112.5	H790 A791 I795 E796 I797	H790-R793 WeakPolarHBondContact O-CB 3.36Å; H790-R793 PolarHBondContact O-N 3.05Å; A791-R793 PolarHBondContact O-N 3.18Å; R793-I795 VanDerWaalsContact C-N 3.28Å; R793-I795 PolarHBondContact O-N 3.5Å; R793-E796 PolarHBondContact O-N 3.15Å; R793-I797 HydrophobicContact CG-CD1 4.2Å; R793-I797 VanDerWaalsContact O-CG1 3.29Å; R793-I797 WeakPolarHBondContact O-CG1 3.4Å; R793-I797 PolarHBondContact O-N 3.31Å; R793-I797 VanDerWaalsContact O-N 3.08Å
794	E	84.2	Confident	89	Confident	23 Å²	23	58 Å²	58	11%	0.107	28%	0.281	C	S	.	.	H	α-helix	trans	-53.1	-51.6	170.5	172.3	-170.8	156.6	0	0	109.7	K771 H790 A791 I797 H798 F894 G895	K771-E794 IonicContact NZ-OE1 2.75Å; K771-E794 PolarHBondContact NZ-OE1 3.02Å; K771-E794 IonicContact NZ-OE2 2.63Å; K771-E794 PolarHBondContact NZ-OE2 3.27Å; H790-E794 PolarHBondContact O-N 3.17Å; A791-E794 WeakPolarHBondContact O-CB 3.42Å; A791-E794 PolarHBondContact O-N 2.86Å; E794-I797 PolarHBondContact O-N 2.91Å; E794-H798 WeakPolarHBondContact O-CB 3.45Å; E794-H798 PolarHBondContact O-N 3.29Å; E794-F894 HydrophobicContact CG-CB 4.46Å; E794-G895 WeakPolarHBondContact OE2-CA 3.26Å
795	I	88.2	Confident	89.5	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-44.8	-179.2	-75.1	161.9	0	0	0	112.3	A791 L792 R793 H798 K799 V812 F820 T822	A791-I795 WeakPolarHBondContact O-CB 3.41Å; A791-I795 WeakPolarHBondContact O-CD1 3.24Å; A791-I795 WeakPolarHBondContact O-CG1 3.26Å; A791-I795 PolarHBondContact O-N 2.91Å; L792-I795 HydrophobicContact CD2-CD1 4.46Å; L792-I795 PolarHBondContact O-N 2.73Å; R793-I795 VanDerWaalsContact C-N 3.28Å; R793-I795 PolarHBondContact O-N 3.5Å; I795-H798 PolarHBondContact O-N 2.81Å; I795-K799 HydrophobicContact CG2-CD 3.82Å; I795-K799 HydrophobicContact CG2-CG 4.22Å; I795-K799 VanDerWaalsContact O-CB 3.24Å; I795-K799 WeakPolarHBondContact O-CB 3.4Å; I795-K799 VanDerWaalsContact O-CG 3.26Å; I795-K799 WeakPolarHBondContact O-CG 3.49Å; I795-K799 PolarHBondContact O-N 2.71Å; I795-V812 HydrophobicContact CD1-CG1 4.04Å; I795-V812 HydrophobicContact CD1-CG2 4.35Å; I795-V812 HydrophobicContact CG1-CG2 4.36Å; I795-V812 HydrophobicContact CG2-CB 4.43Å; I795-V812 HydrophobicContact CG2-CG1 4.37Å; I795-V812 HydrophobicContact CG2-CG2 3.72Å; I795-F820 HydrophobicContact CD1-CD2 4.4Å; I795-F820 HydrophobicContact CD1-CE2 3.92Å; I795-T822 WeakPolarHBondContact CD1-OG1 3.45Å; I795-T822 HydrophobicContact CG1-CG2 4.43Å
796	E	90.3	Very high	89.9	Confident	136 Å²	136	56.4 Å²	56.4	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-62.6	-47.1	180	-179.5	177.1	-144.7	0	0	111.3	L792 R793 T800	L792-E796 VanDerWaalsContact O-CB 3.26Å; L792-E796 WeakPolarHBondContact O-CB 3.43Å; L792-E796 PolarHBondContact O-N 3.17Å; R793-E796 PolarHBondContact O-N 3.15Å; E796-T800 WeakPolarHBondContact O-CG2 3.16Å
797	I	90.6	Very high	90.4	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-54.5	173.7	-63.3	171.6	0	0	0	109.1	R793 E794 K799 T800 L801 V868 L899	R793-I797 HydrophobicContact CG-CD1 4.2Å; R793-I797 VanDerWaalsContact O-CG1 3.29Å; R793-I797 WeakPolarHBondContact O-CG1 3.4Å; R793-I797 PolarHBondContact O-N 3.31Å; R793-I797 VanDerWaalsContact O-N 3.08Å; E794-I797 PolarHBondContact O-N 2.91Å; I797-K799 PolarHBondContact O-N 2.01Å; I797-T800 PolarHBondContact O-N 3.43Å; I797-T800 VanDerWaalsContact O-N 3.15Å; I797-T800 PolarHBondContact O-OG1 2.98Å; I797-L801 WeakPolarHBondContact O-CG 3.38Å; I797-V868 HydrophobicContact CG2-CG1 3.93Å; I797-V868 HydrophobicContact CG2-CG2 4.47Å; I797-L899 HydrophobicContact CD1-CD1 4.45Å; I797-L899 HydrophobicContact CD1-CD2 4.02Å; I797-L899 HydrophobicContact CD1-CG 3.89Å; I797-L899 HydrophobicContact CG1-CD1 4.16Å; I797-L899 HydrophobicContact CG1-CD2 3.9Å; I797-L899 HydrophobicContact CG1-CG 4Å; I797-L899 HydrophobicContact CG2-CD2 4.22Å
798	H	93.8	Very high	90.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.019	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-38.4	-170.9	-164.9	-176.3	0	0	0	113.1	E794 I795 T800 L801 V807 V809 F894	E794-H798 WeakPolarHBondContact O-CB 3.45Å; E794-H798 PolarHBondContact O-N 3.29Å; I795-H798 PolarHBondContact O-N 2.81Å; H798-T800 PolarHBondContact O-N 3.36Å; H798-T800 VanDerWaalsContact O-N 3.14Å; H798-L801 WeakPolarHBondContact O-CB 3.16Å; H798-L801 PolarHBondContact O-N 3Å; H798-V807 PolarHBondContact NE2-O 3.4Å; H798-V809 HydrophobicContact CB-CG2 3.86Å; H798-V809 VanDerWaalsContact CG-CG2 3.42Å; H798-F894 HydrophobicContact CB-CB 4.45Å; H798-F894 HydrophobicContact CB-CD2 4.28Å; H798-F894 AromaticContact CD2-CD2 3.6Å; H798-F894 AromaticContact CD2-CE2 3.7Å; H798-F894 AromaticContact CE1-CD2 3.78Å; H798-F894 AromaticContact CG-CD2 3.61Å; H798-F894 AromaticContact ND1-CD2 3.72Å; H798-F894 AromaticContact NE2-CD2 3.71Å; H798-F894 AromaticContact NE2-CE2 3.64Å
799	K	92.5	Very high	91.4	Very high	99 Å²	99	54.2 Å²	54.2	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-56.4	-28.1	174.3	-84.2	178	173.2	179.5	0	113.3	I795 I797 L801 H802 V809 V812	I795-K799 HydrophobicContact CG2-CD 3.82Å; I795-K799 HydrophobicContact CG2-CG 4.22Å; I795-K799 VanDerWaalsContact O-CB 3.24Å; I795-K799 WeakPolarHBondContact O-CB 3.4Å; I795-K799 VanDerWaalsContact O-CG 3.26Å; I795-K799 WeakPolarHBondContact O-CG 3.49Å; I795-K799 PolarHBondContact O-N 2.71Å; I797-K799 PolarHBondContact O-N 2.01Å; K799-L801 VanDerWaalsContact C-N 3.35Å; K799-H802 PolarHBondContact O-CE1 2.36Å; K799-V809 HydrophobicContact CG-CB 4.11Å; K799-V809 HydrophobicContact CG-CG1 3.87Å; K799-V809 HydrophobicContact CG-CG2 4.46Å; K799-V812 VanDerWaalsContact CE-CG2 3.46Å
800	T	91.9	Very high	91.8	Very high	62 Å²	62	50.7 Å²	50.7	38%	0.38	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.3	179.7	68.5	0	0	0	0	113.9	E796 I797 H798 H802 R864	E796-T800 WeakPolarHBondContact O-CG2 3.16Å; I797-T800 PolarHBondContact O-N 3.43Å; I797-T800 VanDerWaalsContact O-N 3.15Å; I797-T800 PolarHBondContact O-OG1 2.98Å; H798-T800 PolarHBondContact O-N 3.36Å; H798-T800 VanDerWaalsContact O-N 3.14Å; T800-H802 PolarHBondContact O-ND1 2.91Å; T800-R864 VanDerWaalsContact CB-NH2 3.3Å; T800-R864 PolarHBondContact O-NH1 3.44Å; T800-R864 PolarHBondContact OG1-NH2 2.86Å
801	L	95.1	Very high	92.4	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	24%	0.239	C	C	.	.			trans	-89.7	120.1	-173.4	-52.3	-177.2	0	0	0	112.3	I797 H798 K799 I806 Y860 L861 F894	I797-L801 WeakPolarHBondContact O-CG 3.38Å; H798-L801 WeakPolarHBondContact O-CB 3.16Å; H798-L801 PolarHBondContact O-N 3Å; K799-L801 VanDerWaalsContact C-N 3.35Å; L801-I806 HydrophobicContact CB-CG2 4.28Å; L801-I806 HydrophobicContact CD1-CG2 4.41Å; L801-Y860 HydrophobicContact CB-CE1 4.4Å; L801-Y860 HydrophobicContact CD2-CE1 4.27Å; L801-L861 HydrophobicContact CD1-CD2 3.84Å; L801-L861 HydrophobicContact CD2-CD2 3.8Å; L801-L861 HydrophobicContact CG-CD2 4.42Å; L801-F894 HydrophobicContact CD1-CD1 3.8Å; L801-F894 HydrophobicContact CD1-CD2 4.21Å; L801-F894 HydrophobicContact CD1-CE1 3.38Å; L801-F894 HydrophobicContact CD1-CE2 3.85Å; L801-F894 HydrophobicContact CD1-CG 4.21Å; L801-F894 HydrophobicContact CD1-CZ 3.42Å; L801-F894 VanDerWaalsContact CD1-CZ 3.42Å
802	H	94.5	Very high	92.9	Very high	137 Å²	137	51.1 Å²	51.1	63%	0.634	25%	0.246	S	C	*	.			trans	-132.2	86.7	-174.4	-66.7	82.5	0	0	0	109.7	K799 T800 Y860	K799-H802 PolarHBondContact O-CE1 2.36Å; T800-H802 PolarHBondContact O-ND1 2.91Å; H802-Y860 PolarHBondContact N-OH 2.92Å
803	H	96.7	Very high	93.3	Very high	28 Å²	28	48.1 Å²	48.1	13%	0.13	23%	0.229	C	C	.	.			trans	-150	138.8	-177.9	-176.6	-106.6	0	0	0	110.4	R805 I806 Y860	H803-R805 PolarHBondContact ND1-N 3.47Å; H803-R805 PolarHBondContact O-N 3.03Å; H803-R805 VanDerWaalsContact O-N 3.15Å; H803-I806 HydrophobicContact CB-CB 4.35Å; H803-I806 HydrophobicContact CB-CD1 4.02Å; H803-I806 HydrophobicContact CB-CG1 4.14Å; H803-I806 PolarHBondContact O-N 3Å; H803-Y860 HydrophobicContact CB-CD1 3.64Å; H803-Y860 HydrophobicContact CB-CD2 4.16Å; H803-Y860 HydrophobicContact CB-CE1 3.87Å; H803-Y860 HydrophobicContact CB-CE2 4.36Å; H803-Y860 HydrophobicContact CB-CG 3.8Å; H803-Y860 AromaticContact CD2-CG 3.79Å; H803-Y860 AromaticContact CG-CG 3.82Å
804	P	96	Very high	93.8	Very high	75 Å²	75	48.6 Å²	48.6	49%	0.487	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.7	-175.3	21	-34.5	0	0	0	114.4	I806 K890	P804-I806 VanDerWaalsContact C-N 3.33Å; P804-K890 PolarHBondContact O-NZ 2.95Å
805	R	97.5	Very high	94.3	Very high	43 Å²	43	49.9 Å²	49.9	16%	0.162	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	18.2	178.1	-51	-61.2	169	-120.9	6.6	114.1	H803 Q853 A857 E888 I889 K890 I891	H803-R805 PolarHBondContact ND1-N 3.47Å; H803-R805 PolarHBondContact O-N 3.03Å; H803-R805 VanDerWaalsContact O-N 3.15Å; R805-Q853 VanDerWaalsContact CD-OE1 3.31Å; R805-Q853 HydrophobicContact CG-CB 4.3Å; R805-A857 HydrophobicContact CB-CB 4.03Å; R805-E888 IonicContact CZ-OE1 3.91Å; R805-E888 VanDerWaalsContact CZ-OE1 3.25Å; R805-E888 IonicContact CZ-OE2 3.17Å; R805-E888 IonicContact NH1-OE1 2.83Å; R805-E888 PolarHBondContact NH1-OE1 2.84Å; R805-E888 IonicContact NH1-OE2 2.81Å; R805-E888 PolarHBondContact NH1-OE2 3.28Å; R805-E888 VanDerWaalsContact NH2-CD 3.35Å; R805-E888 IonicContact NH2-OE1 3.85Å; R805-E888 PolarHBondContact NH2-OE1 2.87Å; R805-E888 IonicContact NH2-OE2 3.75Å; R805-I889 WeakPolarHBondContact CA-O 3.12Å; R805-I889 HydrophobicContact CB-CD1 4.45Å; R805-I889 WeakPolarHBondContact CD-O 3.44Å; R805-K890 WeakPolarHBondContact O-CA 3.47Å; R805-I891 PolarHBondContact O-N 3.3Å
806	I	97.4	Very high	94.4	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-125.1	140.5	171.8	-62.5	179.5	0	0	0	107.7	L801 H803 P804 K808 A857 Y860 L861 F894	L801-I806 HydrophobicContact CB-CG2 4.28Å; L801-I806 HydrophobicContact CD1-CG2 4.41Å; H803-I806 HydrophobicContact CB-CB 4.35Å; H803-I806 HydrophobicContact CB-CD1 4.02Å; H803-I806 HydrophobicContact CB-CG1 4.14Å; H803-I806 PolarHBondContact O-N 3Å; P804-I806 VanDerWaalsContact C-N 3.33Å; I806-K808 PolarHBondContact O-N 3.3Å; I806-A857 HydrophobicContact CD1-CB 4.5Å; I806-A857 HydrophobicContact CG1-CB 4.1Å; I806-Y860 HydrophobicContact CD1-CD1 3.75Å; I806-Y860 HydrophobicContact CD1-CE1 4.06Å; I806-L861 HydrophobicContact CD1-CD2 3.81Å; I806-L861 HydrophobicContact CD1-CG 4.13Å; I806-F894 HydrophobicContact CD1-CZ 4.28Å; I806-F894 HydrophobicContact CG2-CE2 3.74Å; I806-F894 HydrophobicContact CG2-CZ 3.72Å
807	V	96.5	Very high	94.2	Very high	2 Å²	2	53 Å²	53	1%	0.012	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.8	125.5	171.2	170.3	0	0	0	0	108.9	H798 L824 E825 L879 K890 I891	H798-V807 PolarHBondContact NE2-O 3.4Å; V807-L824 HydrophobicContact CG1-CB 4.02Å; V807-L824 HydrophobicContact CG1-CD2 4.47Å; V807-E825 WeakPolarHBondContact CA-OE2 3.42Å; V807-E825 HydrophobicContact CG1-CB 4.06Å; V807-L879 HydrophobicContact CG2-CD1 3.82Å; V807-K890 HydrophobicContact CG2-CB 3.84Å; V807-K890 HydrophobicContact CG2-CD 4.38Å; V807-I891 PolarHBondContact N-O 3.45Å
808	K	95.8	Very high	94.2	Very high	85 Å²	85	54 Å²	54	37%	0.37	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-75.1	149	177	-57.6	165.4	-174.5	162.1	0	111.7	I806 F810 L824 E825	I806-K808 PolarHBondContact O-N 3.3Å; K808-F810 HydrophobicContact CB-CD1 4.29Å; K808-F810 HydrophobicContact CB-CE1 3.84Å; K808-F810 HydrophobicContact CD-CE1 4.06Å; K808-L824 CarbonylContact O-C 3.56Å; K808-L824 WeakPolarHBondContact O-CA 3.47Å; K808-E825 HydrophobicContact CB-CB 4.03Å; K808-E825 PolarHBondContact N-OE2 3.37Å; K808-E825 IonicContact NZ-OE1 2.71Å; K808-E825 PolarHBondContact O-N 3Å
809	V	95.6	Very high	94.1	Very high	24 Å²	24	53.9 Å²	53.9	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.2	160.5	-170.3	0	0	0	0	108.3	H798 K799 V812 T822 L824	H798-V809 HydrophobicContact CB-CG2 3.86Å; H798-V809 VanDerWaalsContact CG-CG2 3.42Å; K799-V809 HydrophobicContact CG-CB 4.11Å; K799-V809 HydrophobicContact CG-CG1 3.87Å; K799-V809 HydrophobicContact CG-CG2 4.46Å; V809-V812 HydrophobicContact CG1-CG2 4.21Å; V809-T822 HydrophobicContact CG1-CG2 4.07Å; V809-L824 HydrophobicContact CB-CD2 4.38Å; V809-L824 HydrophobicContact CG1-CD2 4.45Å; V809-L824 HydrophobicContact CG2-CD2 3.91Å
810	F	95.5	Very high	94.2	Very high	62 Å²	62	49.6 Å²	49.6	27%	0.272	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-37.7	178.8	-65.8	-32.9	0	0	0	113.9	R766 V768 K808 V823 E825	R766-F810 VanDerWaalsContact NH1-CE1 3.31Å; V768-F810 HydrophobicContact CG1-CD2 3.88Å; V768-F810 HydrophobicContact CG1-CE2 4.15Å; K808-F810 HydrophobicContact CB-CD1 4.29Å; K808-F810 HydrophobicContact CB-CE1 3.84Å; K808-F810 HydrophobicContact CD-CE1 4.06Å; F810-V823 HydrophobicContact CB-CG1 4.25Å; F810-V823 HydrophobicContact CD2-CG1 4.49Å; F810-V823 PolarHBondContact N-O 3.33Å; F810-E825 HydrophobicContact CE1-CB 4.48Å; F810-E825 HydrophobicContact CE2-CB 4.11Å; F810-E825 HydrophobicContact CZ-CB 3.82Å; F810-E825 HydrophobicContact CZ-CG 4.14Å
811	D	95.7	Very high	94.3	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.214	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	157.6	-178.5	-165.2	13	0	0	0	110.6	N739 Y742 V823	N739-D811 PolarHBondContact ND2-OD2 3.01Å; Y742-D811 HydrophobicContact CE2-CB 4.32Å; Y742-D811 WeakPolarHBondContact CE2-OD2 3.47Å; Y742-D811 WeakPolarHBondContact OH-CB 3.36Å; Y742-D811 PolarHBondContact OH-OD2 3.49Å; D811-V823 HydrophobicContact CB-CB 4.06Å; D811-V823 HydrophobicContact CB-CG2 4.1Å; D811-V823 PolarHBondContact N-O 3.17Å; D811-V823 PolarHBondContact O-N 2.99Å
812	V	94.1	Very high	94.4	Very high	29 Å²	29	46.6 Å²	46.6	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	126.7	171	175.3	0	0	0	0	109.3	I795 K799 V809 C821 T822	I795-V812 HydrophobicContact CD1-CG1 4.04Å; I795-V812 HydrophobicContact CD1-CG2 4.35Å; I795-V812 HydrophobicContact CG1-CG2 4.36Å; I795-V812 HydrophobicContact CG2-CB 4.43Å; I795-V812 HydrophobicContact CG2-CG1 4.37Å; I795-V812 HydrophobicContact CG2-CG2 3.72Å; K799-V812 VanDerWaalsContact CE-CG2 3.46Å; V809-V812 HydrophobicContact CG1-CG2 4.21Å; V812-C821 VanDerWaalsContact CA-O 3.3Å; V812-C821 WeakPolarHBondContact CA-O 3.17Å; V812-T822 HydrophobicContact CG2-CG2 3.96Å
813	F	94.8	Very high	94.5	Very high	23 Å²	23	40.1 Å²	40.1	10%	0.101	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153.2	-178.2	58.1	-95.8	0	0	0	111.7	L738 N739 Y742 I815 C821 V823	L738-F813 HydrophobicContact CB-CE2 3.85Å; L738-F813 HydrophobicContact CB-CZ 3.78Å; L738-F813 HydrophobicContact CD1-CE2 4.32Å; L738-F813 HydrophobicContact CD1-CZ 4.35Å; N739-F813 HydrophobicContact CB-CD1 3.91Å; N739-F813 HydrophobicContact CB-CD2 3.88Å; N739-F813 HydrophobicContact CB-CE1 3.85Å; N739-F813 HydrophobicContact CB-CE2 3.83Å; N739-F813 HydrophobicContact CB-CG 3.93Å; N739-F813 HydrophobicContact CB-CZ 3.81Å; N739-F813 WeakPolarHBondContact ND2-CD1 3.45Å; Y742-F813 HydrophobicContact CD2-CD1 4.45Å; Y742-F813 AromaticContact CD2-CE1 3.46Å; Y742-F813 HydrophobicContact CD2-CE1 3.46Å; Y742-F813 VanDerWaalsContact CD2-CE1 3.46Å; Y742-F813 AromaticContact CD2-CZ 3.87Å; Y742-F813 HydrophobicContact CD2-CZ 3.87Å; Y742-F813 HydrophobicContact CE2-CD1 4.28Å; Y742-F813 AromaticContact CE2-CE1 3.64Å; Y742-F813 HydrophobicContact CE2-CE1 3.64Å; Y742-F813 HydrophobicContact CE2-CZ 4.48Å; Y742-F813 HydrophobicContact CG-CE1 4.46Å; F813-I815 HydrophobicContact CD2-CG1 4.49Å; F813-I815 HydrophobicContact CE2-CG1 4.14Å; F813-C821 HydrophobicContact CD2-CB 4.06Å; F813-C821 HydrophobicContact CE1-CB 4.05Å; F813-C821 HydrophobicContact CE2-CB 3.51Å; F813-C821 HydrophobicContact CZ-CB 3.52Å; F813-C821 PolarHBondContact N-O 2.98Å; F813-C821 VanDerWaalsContact N-O 3.15Å; F813-C821 PolarHBondContact O-N 2.89Å; F813-V823 HydrophobicContact CD1-CG2 4.46Å; F813-V823 HydrophobicContact CE1-CG2 3.65Å; F813-V823 HydrophobicContact CZ-CG2 4.42Å
814	D	93.5	Very high	94.5	Very high	131 Å²	131	39.5 Å²	39.5	70%	0.701	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	144.6	172.9	-56.4	-50.7	0	0	0	111.1
815	I	94.2	Very high	94.5	Very high	51 Å²	51	37.3 Å²	37.3	26%	0.262	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-48.4	173	-57.5	177.4	0	0	0	109.4	F732 L738 I772 F813 A819 C821	F732-I815 HydrophobicContact CE1-CD1 3.92Å; F732-I815 HydrophobicContact CE1-CG2 4.15Å; F732-I815 HydrophobicContact CZ-CD1 3.83Å; F732-I815 HydrophobicContact CZ-CG2 4.35Å; L738-I815 HydrophobicContact CD1-CD1 3.71Å; L738-I815 HydrophobicContact CD1-CG1 4.33Å; L738-I815 HydrophobicContact CD2-CD1 4.37Å; L738-I815 HydrophobicContact CD2-CG2 4.34Å; I772-I815 HydrophobicContact CD1-CD1 4.39Å; I772-I815 HydrophobicContact CG1-CD1 4.33Å; I772-I815 HydrophobicContact CG2-CD1 3.59Å; F813-I815 HydrophobicContact CD2-CG1 4.49Å; F813-I815 HydrophobicContact CE2-CG1 4.14Å; I815-A819 WeakPolarHBondContact CA-O 3.46Å; I815-A819 HydrophobicContact CB-CB 4.42Å; I815-A819 WeakPolarHBondContact CB-O 3.37Å; I815-A819 PolarHBondContact N-O 2.91Å; I815-C821 HydrophobicContact CD1-CB 4.17Å; I815-C821 HydrophobicContact CG1-CB 4.28Å
816	D	91.4	Very high	94.4	Very high	63 Å²	63	36.9 Å²	36.9	34%	0.337	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-177.1	174.5	60.7	57.7	0	0	0	109.7	R731 D818 A819	R731-D816 IonicContact CZ-OD2 3.72Å; R731-D816 IonicContact NH1-OD2 2.78Å; R731-D816 PolarHBondContact NH1-OD2 3.36Å; R731-D816 IonicContact NH2-OD1 3.6Å; R731-D816 IonicContact NH2-OD2 3.9Å; R731-D816 PolarHBondContact NH2-OD2 2.91Å; D816-D818 PolarHBondContact O-N 2.95Å; D816-D818 VanDerWaalsContact O-N 3.1Å; D816-D818 WeakPolarHBondContact OD1-CA 3.43Å; D816-D818 PolarHBondContact OD1-N 2.73Å; D816-A819 PolarHBondContact N-O 2.91Å; D816-A819 VanDerWaalsContact N-O 3.08Å; D816-A819 PolarHBondContact O-N 3.35Å; D816-A819 PolarHBondContact OD1-N 3.05Å; D816-A819 VanDerWaalsContact OD1-N 3.09Å
817	H	86	Confident	94.2	Very high	144 Å²	144	37.1 Å²	37.1	67%	0.667	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29	-178.4	-177.2	-71.5	0	0	0	114
818	D	89.4	Confident	93.8	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.144	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	9.1	-174.2	-70.5	-16.4	0	0	0	112.9	L775 P777 K784 D816	L775-D818 HydrophobicContact CB-CB 4.36Å; L775-D818 WeakPolarHBondContact CB-O 3.5Å; L775-D818 WeakPolarHBondContact CG-O 3.28Å; L775-D818 PolarHBondContact N-O 3.4Å; P777-D818 VanDerWaalsContact CA-OD2 3.26Å; P777-D818 WeakPolarHBondContact CA-OD2 3.45Å; P777-D818 WeakPolarHBondContact CB-OD2 3.49Å; K784-D818 WeakPolarHBondContact CD-OD1 3.15Å; K784-D818 WeakPolarHBondContact CE-OD1 3.5Å; K784-D818 IonicContact NZ-OD1 2.72Å; K784-D818 PolarHBondContact NZ-OD1 3.41Å; K784-D818 IonicContact NZ-OD2 2.92Å; K784-D818 PolarHBondContact NZ-OD2 3.16Å; D816-D818 PolarHBondContact O-N 2.95Å; D816-D818 VanDerWaalsContact O-N 3.1Å; D816-D818 WeakPolarHBondContact OD1-CA 3.43Å; D816-D818 PolarHBondContact OD1-N 2.73Å
819	A	92.7	Very high	93.3	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	141.4	175.1	0	0	0	0	0	114.9	H773 Q774 I815 D816	H773-A819 WeakPolarHBondContact O-CA 3.21Å; H773-A819 WeakPolarHBondContact O-CB 3.38Å; Q774-A819 HydrophobicContact CG-CB 4.24Å; I815-A819 WeakPolarHBondContact CA-O 3.46Å; I815-A819 HydrophobicContact CB-CB 4.42Å; I815-A819 WeakPolarHBondContact CB-O 3.37Å; I815-A819 PolarHBondContact N-O 2.91Å; D816-A819 PolarHBondContact N-O 2.91Å; D816-A819 VanDerWaalsContact N-O 3.08Å; D816-A819 PolarHBondContact O-N 3.35Å; D816-A819 PolarHBondContact OD1-N 3.05Å; D816-A819 VanDerWaalsContact OD1-N 3.09Å
820	F	93.5	Very high	93	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.039	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.9	173.5	60.8	-88.4	0	0	0	110.6	H773 Y787 I788 A791 I795	H773-F820 HydrophobicContact CB-CD1 4.12Å; H773-F820 HydrophobicContact CB-CD2 4.13Å; H773-F820 HydrophobicContact CB-CE1 3.65Å; H773-F820 HydrophobicContact CB-CE2 3.66Å; H773-F820 HydrophobicContact CB-CG 4.33Å; H773-F820 HydrophobicContact CB-CZ 3.38Å; H773-F820 AromaticContact CD2-CD2 3.89Å; H773-F820 AromaticContact CD2-CE2 3.32Å; H773-F820 WeakPolarHBondContact CD2-CE2 3.42Å; H773-F820 AromaticContact CD2-CZ 3.88Å; H773-F820 AromaticContact CG-CE2 3.35Å; H773-F820 AromaticContact CG-CZ 3.38Å; H773-F820 PolarHBondContact N-O 3.12Å; H773-F820 AromaticContact ND1-CE2 3.81Å; H773-F820 AromaticContact ND1-CZ 3.63Å; H773-F820 AromaticContact NE2-CE2 3.8Å; H773-F820 PolarHBondContact O-N 3.35Å; Y787-F820 HydrophobicContact CE1-CE1 4.48Å; Y787-F820 HydrophobicContact CE1-CZ 4.35Å; I788-F820 HydrophobicContact CG1-CE1 4.31Å; A791-F820 HydrophobicContact CB-CE2 4.13Å; A791-F820 HydrophobicContact CB-CZ 3.56Å; I795-F820 HydrophobicContact CD1-CD2 4.4Å; I795-F820 HydrophobicContact CD1-CE2 3.92Å
821	C	95.7	Very high	92.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.9	-176.6	-168	0	0	0	0	111.3	V812 F813 I815	V812-C821 VanDerWaalsContact CA-O 3.3Å; V812-C821 WeakPolarHBondContact CA-O 3.17Å; F813-C821 HydrophobicContact CD2-CB 4.06Å; F813-C821 HydrophobicContact CE1-CB 4.05Å; F813-C821 HydrophobicContact CE2-CB 3.51Å; F813-C821 HydrophobicContact CZ-CB 3.52Å; F813-C821 PolarHBondContact N-O 2.98Å; F813-C821 VanDerWaalsContact N-O 3.15Å; F813-C821 PolarHBondContact O-N 2.89Å; I815-C821 HydrophobicContact CD1-CB 4.17Å; I815-C821 HydrophobicContact CG1-CB 4.28Å
822	T	95.3	Very high	92.9	Very high	2 Å²	2	35 Å²	35	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.3	162.8	-58.7	0	0	0	0	109.2	K771 I795 V809 V812 L824	K771-T822 PolarHBondContact N-O 2.84Å; K771-T822 PolarHBondContact O-N 3.23Å; I795-T822 WeakPolarHBondContact CD1-OG1 3.45Å; I795-T822 HydrophobicContact CG1-CG2 4.43Å; V809-T822 HydrophobicContact CG1-CG2 4.07Å; V812-T822 HydrophobicContact CG2-CG2 3.96Å; T822-L824 HydrophobicContact CG2-CD2 3.72Å; T822-L824 HydrophobicContact CG2-CG 4.1Å
823	V	97.3	Very high	92.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.9	177.9	-173.7	0	0	0	0	109.4	Y742 V768 F810 D811 F813	Y742-V823 HydrophobicContact CD1-CG1 4.13Å; Y742-V823 HydrophobicContact CD1-CG2 4.34Å; Y742-V823 HydrophobicContact CD2-CG2 4.18Å; Y742-V823 HydrophobicContact CE1-CG1 3.79Å; Y742-V823 HydrophobicContact CE1-CG2 4.23Å; Y742-V823 HydrophobicContact CE2-CG2 4.07Å; Y742-V823 HydrophobicContact CG-CG2 4.31Å; V768-V823 HydrophobicContact CB-CG1 3.67Å; V768-V823 HydrophobicContact CG1-CG1 3.87Å; V768-V823 HydrophobicContact CG2-CG1 3.87Å; F810-V823 HydrophobicContact CB-CG1 4.25Å; F810-V823 HydrophobicContact CD2-CG1 4.49Å; F810-V823 PolarHBondContact N-O 3.33Å; D811-V823 HydrophobicContact CB-CB 4.06Å; D811-V823 HydrophobicContact CB-CG2 4.1Å; D811-V823 PolarHBondContact N-O 3.17Å; D811-V823 PolarHBondContact O-N 2.99Å; F813-V823 HydrophobicContact CD1-CG2 4.46Å; F813-V823 HydrophobicContact CE1-CG2 3.65Å; F813-V823 HydrophobicContact CZ-CG2 4.42Å
824	L	97	Very high	92.6	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	159.7	-173.7	-60.6	174.2	0	0	0	112	A769 K771 V807 K808 V809 T822 Y826	A769-L824 HydrophobicContact CB-CB 4.24Å; A769-L824 PolarHBondContact N-O 3.16Å; A769-L824 WeakPolarHBondContact O-CB 3.45Å; A769-L824 PolarHBondContact O-N 3.13Å; K771-L824 HydrophobicContact CB-CD1 4.24Å; V807-L824 HydrophobicContact CG1-CB 4.02Å; V807-L824 HydrophobicContact CG1-CD2 4.47Å; K808-L824 CarbonylContact O-C 3.56Å; K808-L824 WeakPolarHBondContact O-CA 3.47Å; V809-L824 HydrophobicContact CB-CD2 4.38Å; V809-L824 HydrophobicContact CG1-CD2 4.45Å; V809-L824 HydrophobicContact CG2-CD2 3.91Å; T822-L824 HydrophobicContact CG2-CD2 3.72Å; T822-L824 HydrophobicContact CG2-CG 4.1Å; L824-Y826 PolarHBondContact O-N 3.18Å
825	E	96.2	Very high	92.5	Very high	30 Å²	30	29.6 Å²	29.6	14%	0.14	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	128.6	165.2	-175.5	178.7	-139.5	0	0	110.4	V807 K808 F810 K890	V807-E825 WeakPolarHBondContact CA-OE2 3.42Å; V807-E825 HydrophobicContact CG1-CB 4.06Å; K808-E825 HydrophobicContact CB-CB 4.03Å; K808-E825 PolarHBondContact N-OE2 3.37Å; K808-E825 IonicContact NZ-OE1 2.71Å; K808-E825 PolarHBondContact O-N 3Å; F810-E825 HydrophobicContact CE1-CB 4.48Å; F810-E825 HydrophobicContact CE2-CB 4.11Å; F810-E825 HydrophobicContact CZ-CB 3.82Å; F810-E825 HydrophobicContact CZ-CG 4.14Å; E825-K890 IonicContact OE1-NZ 3.86Å; E825-K890 PolarHBondContact OE1-NZ 3.09Å; E825-K890 WeakPolarHBondContact OE2-CE 3.36Å; E825-K890 IonicContact OE2-NZ 2.99Å; E825-K890 PolarHBondContact OE2-NZ 2.82Å
826	Y	95.5	Very high	92.4	Very high	34 Å²	34	27.7 Å²	27.7	13%	0.133	14%	0.135	C	C	.	.			trans	-83.3	139.4	-179.6	178.2	-101.9	0	0	0	111.1	I379 L748 K758 L824 E828	I379-Y826 WeakPolarHBondContact CD1-OH 3.45Å; I379-Y826 WeakPolarHBondContact CG1-OH 3.33Å; I379-Y826 HydrophobicContact CG2-CE2 3.7Å; L748-Y826 HydrophobicContact CD1-CE2 4.26Å; K758-Y826 HydrophobicContact CB-CE2 4.41Å; K758-Y826 HydrophobicContact CD-CE2 4.05Å; K758-Y826 WeakPolarHBondContact CE-OH 3.46Å; K758-Y826 HydrophobicContact CG-CD2 4.38Å; K758-Y826 HydrophobicContact CG-CE2 3.77Å; L824-Y826 PolarHBondContact O-N 3.18Å; Y826-E828 HydrophobicContact CD1-CG 4.34Å; Y826-E828 HydrophobicContact CE1-CG 3.73Å
827	S	92.7	Very high	92.2	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.042	14%	0.143	C	C	.	.			trans	-117.2	136.5	172.7	-173.5	0	0	0	0	108.6	I380	I380-S827 WeakPolarHBondContact CD1-O 3.34Å
828	E	87.6	Confident	92.2	Very high	135 Å²	135	25.9 Å²	25.9	63%	0.631	12%	0.123	S	C	*	.	S	Bend	trans	-79.7	-41.4	-176.2	-71	178.7	160.1	0	0	112	Y826 G881	Y826-E828 HydrophobicContact CD1-CG 4.34Å; Y826-E828 HydrophobicContact CE1-CG 3.73Å; E828-G881 PolarHBondContact N-O 2.9Å
829	G	85.3	Confident	92.1	Very high	5 Å²	5	28.4 Å²	28.4	5%	0.052	14%	0.137	C	C	.	.	S	Bend	trans	-81	170.3	176.6	0	0	0	0	0	115.1	L880 G881	G829-L880 CarbonylContact C-O 3.57Å; G829-L880 WeakPolarHBondContact CA-O 3.43Å; G829-L880 PolarHBondContact N-O 2.93Å; G829-G881 PolarHBondContact N-O 2.81Å
830	N	88.9	Confident	91.8	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.144	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-82.7	173.3	-179.6	-64.4	-81.1	0	0	0	112.5	M378 I379 F834 L880	M378-N830 PolarHBondContact O-ND2 3.05Å; M378-N830 PolarHBondContact O-OD1 3.16Å; I379-N830 PolarHBondContact N-OD1 2.9Å; N830-F834 HydrophobicContact CB-CB 3.9Å; N830-F834 HydrophobicContact CB-CD1 3.53Å; N830-F834 HydrophobicContact CB-CD2 4.18Å; N830-F834 HydrophobicContact CB-CE1 4.03Å; N830-F834 HydrophobicContact CB-CG 3.63Å; N830-L880 WeakPolarHBondContact O-CB 3.46Å; N830-L880 PolarHBondContact O-N 3.42Å
831	D	93.5	Very high	91.7	Very high	2 Å²	2	35 Å²	35	1%	0.011	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-72.4	163.5	172	60.9	88.1	0	0	0	113.6	D833 F834 F835 I878 L879	D831-D833 VanDerWaalsContact C-N 3.33Å; D831-D833 PolarHBondContact O-N 3.03Å; D831-D833 WeakPolarHBondContact OD1-CB 3.3Å; D831-D833 PolarHBondContact OD1-N 3.02Å; D831-F834 WeakPolarHBondContact O-CB 3.44Å; D831-F834 PolarHBondContact O-N 3.37Å; D831-F834 WeakPolarHBondContact OD1-CB 3.41Å; D831-F834 PolarHBondContact OD1-N 2.91Å; D831-F835 PolarHBondContact O-N 2.74Å; D831-F835 VanDerWaalsContact O-N 3.14Å; D831-I878 CarbonylContact C-O 3.58Å; D831-I878 VanDerWaalsContact CA-O 3.32Å; D831-I878 WeakPolarHBondContact CA-O 3.31Å; D831-L879 HydrophobicContact CB-CD2 4.09Å
832	L	95.4	Very high	91.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.7	-24.1	-178.6	-176.1	65.2	0	0	0	113	L836 I842 I850 P875 I878 L880 I950	L832-L836 HydrophobicContact CD1-CG 4.43Å; L832-L836 HydrophobicContact CG-CD1 4.08Å; L832-L836 HydrophobicContact CG-CG 4.44Å; L832-L836 WeakPolarHBondContact O-CB 3.17Å; L832-L836 WeakPolarHBondContact O-CD1 3.11Å; L832-L836 WeakPolarHBondContact O-CG 3.44Å; L832-L836 PolarHBondContact O-N 3.19Å; L832-I842 HydrophobicContact CD1-CD1 3.55Å; L832-I850 HydrophobicContact CD1-CD1 3.96Å; L832-I850 HydrophobicContact CD2-CG2 4.06Å; L832-P875 HydrophobicContact CB-CB 3.92Å; L832-P875 WeakPolarHBondContact CB-O 3.48Å; L832-P875 HydrophobicContact CD2-CB 4.16Å; L832-P875 HydrophobicContact CG-CB 3.98Å; L832-P875 PolarHBondContact N-O 2.98Å; L832-P875 VanDerWaalsContact N-O 3.09Å; L832-I878 HydrophobicContact CB-CB 4.17Å; L832-I878 HydrophobicContact CB-CG2 4.31Å; L832-I878 HydrophobicContact CD2-CB 4.4Å; L832-I878 HydrophobicContact CD2-CD1 4.13Å; L832-I878 HydrophobicContact CD2-CG2 4.27Å; L832-I878 PolarHBondContact N-O 3.02Å; L832-L880 HydrophobicContact CD1-CD2 4.38Å; L832-I950 HydrophobicContact CD2-CG2 4.17Å
833	D	93.2	Very high	91.6	Very high	29 Å²	29	38.6 Å²	38.6	16%	0.155	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-40.5	172	171.7	80.9	0	0	0	111.2	R719 D831 L836 K837 P875	R719-D833 IonicContact NH2-OD2 3.56Å; D831-D833 VanDerWaalsContact C-N 3.33Å; D831-D833 PolarHBondContact O-N 3.03Å; D831-D833 WeakPolarHBondContact OD1-CB 3.3Å; D831-D833 PolarHBondContact OD1-N 3.02Å; D833-L836 PolarHBondContact O-N 3.15Å; D833-K837 VanDerWaalsContact CG-NZ 3.34Å; D833-K837 WeakPolarHBondContact O-CB 3.43Å; D833-K837 VanDerWaalsContact O-CG 3.29Å; D833-K837 WeakPolarHBondContact O-CG 3.17Å; D833-K837 PolarHBondContact O-N 3.33Å; D833-K837 WeakPolarHBondContact OD1-CE 3.07Å; D833-K837 IonicContact OD1-NZ 3.72Å; D833-K837 PolarHBondContact OD1-NZ 3.45Å; D833-K837 WeakPolarHBondContact OD2-CD 3.42Å; D833-K837 WeakPolarHBondContact OD2-CE 3.37Å; D833-K837 IonicContact OD2-NZ 3.3Å; D833-K837 PolarHBondContact OD2-NZ 2.81Å; D833-P875 HydrophobicContact CB-CB 4.01Å; D833-P875 PolarHBondContact N-O 3.14Å
834	F	90.5	Very high	91.6	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.057	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-49.5	170.5	-177.4	-74.6	0	0	0	111.2	M378 L716 N830 D831 K837 Q838	M378-F834 HydrophobicContact SD-CE2 4.47Å; M378-F834 HydrophobicContact SD-CZ 3.8Å; L716-F834 HydrophobicContact CD2-CE1 4.41Å; L716-F834 HydrophobicContact CD2-CE2 3.84Å; L716-F834 HydrophobicContact CD2-CZ 3.76Å; N830-F834 HydrophobicContact CB-CB 3.9Å; N830-F834 HydrophobicContact CB-CD1 3.53Å; N830-F834 HydrophobicContact CB-CD2 4.18Å; N830-F834 HydrophobicContact CB-CE1 4.03Å; N830-F834 HydrophobicContact CB-CG 3.63Å; D831-F834 WeakPolarHBondContact O-CB 3.44Å; D831-F834 PolarHBondContact O-N 3.37Å; D831-F834 WeakPolarHBondContact OD1-CB 3.41Å; D831-F834 PolarHBondContact OD1-N 2.91Å; F834-K837 PolarHBondContact O-N 2.83Å; F834-Q838 HydrophobicContact CD1-CG 4.45Å; F834-Q838 HydrophobicContact CE1-CG 4.25Å; F834-Q838 PolarHBondContact O-N 2.63Å
835	F	91.8	Very high	91.4	Very high	28 Å²	28	50.9 Å²	50.9	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-47.8	178	-171.5	-81.1	0	0	0	112	D831 K837 Q838 N839 I842 L880 V885	D831-F835 PolarHBondContact O-N 2.74Å; D831-F835 VanDerWaalsContact O-N 3.14Å; F835-K837 VanDerWaalsContact C-N 3.26Å; F835-K837 PolarHBondContact O-N 2.86Å; F835-Q838 PolarHBondContact O-N 3Å; F835-N839 HydrophobicContact CD1-CB 3.99Å; F835-N839 HydrophobicContact CE1-CB 3.47Å; F835-N839 VanDerWaalsContact CE1-CB 3.47Å; F835-N839 HydrophobicContact CZ-CB 3.94Å; F835-N839 VanDerWaalsContact CZ-CG 3.46Å; F835-N839 WeakPolarHBondContact CZ-ND2 3.47Å; F835-N839 PolarHBondContact O-N 3.45Å; F835-I842 HydrophobicContact CD1-CD1 3.98Å; F835-I842 HydrophobicContact CD1-CG1 3.97Å; F835-I842 HydrophobicContact CE1-CD1 4.17Å; F835-I842 HydrophobicContact CE1-CG1 3.72Å; F835-L880 HydrophobicContact CB-CD1 3.94Å; F835-L880 HydrophobicContact CD2-CD1 3.95Å; F835-L880 HydrophobicContact CG-CD1 4.1Å; F835-V885 HydrophobicContact CD1-CG1 3.69Å; F835-V885 HydrophobicContact CD2-CG1 3.85Å; F835-V885 HydrophobicContact CE1-CG1 3.52Å; F835-V885 HydrophobicContact CE1-CG2 4.36Å; F835-V885 HydrophobicContact CE2-CG1 3.67Å; F835-V885 HydrophobicContact CE2-CG2 4.29Å; F835-V885 HydrophobicContact CG-CG1 3.86Å; F835-V885 HydrophobicContact CZ-CB 4.32Å; F835-V885 HydrophobicContact CZ-CG1 3.5Å; F835-V885 HydrophobicContact CZ-CG2 3.81Å
836	L	92.2	Very high	91.3	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-31.8	-179.5	-70.4	168.3	0	0	0	112.4	L832 D833 Q838 K840 I842 P875 Q953	L832-L836 HydrophobicContact CD1-CG 4.43Å; L832-L836 HydrophobicContact CG-CD1 4.08Å; L832-L836 HydrophobicContact CG-CG 4.44Å; L832-L836 WeakPolarHBondContact O-CB 3.17Å; L832-L836 WeakPolarHBondContact O-CD1 3.11Å; L832-L836 WeakPolarHBondContact O-CG 3.44Å; L832-L836 PolarHBondContact O-N 3.19Å; D833-L836 PolarHBondContact O-N 3.15Å; L836-Q838 VanDerWaalsContact C-N 3.34Å; L836-K840 WeakPolarHBondContact O-CA 2.94Å; L836-K840 PolarHBondContact O-N 2.9Å; L836-I842 HydrophobicContact CD2-CD1 3.78Å; L836-I842 HydrophobicContact CD2-CG1 3.91Å; L836-I842 HydrophobicContact CG-CD1 4.42Å; L836-P875 HydrophobicContact CD1-CB 4.22Å; L836-P875 HydrophobicContact CD1-CG 4.35Å; L836-Q953 HydrophobicContact CD1-CG 4.2Å
837	K	87.6	Confident	91.4	Very high	116 Å²	116	50.8 Å²	50.8	50%	0.504	24%	0.243	S	C	.	.	H	α-helix	trans	-69.2	-28.1	172.8	-75.4	167.7	177.7	169.9	0	113.5	D833 F834 F835	D833-K837 VanDerWaalsContact CG-NZ 3.34Å; D833-K837 WeakPolarHBondContact O-CB 3.43Å; D833-K837 VanDerWaalsContact O-CG 3.29Å; D833-K837 WeakPolarHBondContact O-CG 3.17Å; D833-K837 PolarHBondContact O-N 3.33Å; D833-K837 WeakPolarHBondContact OD1-CE 3.07Å; D833-K837 IonicContact OD1-NZ 3.72Å; D833-K837 PolarHBondContact OD1-NZ 3.45Å; D833-K837 WeakPolarHBondContact OD2-CD 3.42Å; D833-K837 WeakPolarHBondContact OD2-CE 3.37Å; D833-K837 IonicContact OD2-NZ 3.3Å; D833-K837 PolarHBondContact OD2-NZ 2.81Å; F834-K837 PolarHBondContact O-N 2.83Å; F835-K837 VanDerWaalsContact C-N 3.26Å; F835-K837 PolarHBondContact O-N 2.86Å
838	Q	85.6	Confident	91.5	Very high	52 Å²	52	52.6 Å²	52.6	24%	0.243	25%	0.25	C	S	.	.	H	α-helix	trans	-83.7	-44.7	175.2	-69.5	-173.1	-30.6	0	0	112.6	R712 L716 F834 F835 L836	R712-Q838 WeakPolarHBondContact CD-O 3.14Å; R712-Q838 PolarHBondContact NH1-O 2.71Å; L716-Q838 HydrophobicContact CD1-CG 4.1Å; L716-Q838 VanDerWaalsContact CD1-NE2 3.25Å; L716-Q838 HydrophobicContact CD2-CG 4.02Å; L716-Q838 HydrophobicContact CG-CG 4.49Å; F834-Q838 HydrophobicContact CD1-CG 4.45Å; F834-Q838 HydrophobicContact CE1-CG 4.25Å; F834-Q838 PolarHBondContact O-N 2.63Å; F835-Q838 PolarHBondContact O-N 3Å; L836-Q838 VanDerWaalsContact C-N 3.34Å
839	N	87.2	Confident	91.9	Very high	80 Å²	80	48.4 Å²	48.4	43%	0.428	24%	0.236	S	C	.	.	H	α-helix	trans	-102	-7	-167.4	-69	57.4	0	0	0	113.8	F835 S841	F835-N839 HydrophobicContact CD1-CB 3.99Å; F835-N839 HydrophobicContact CE1-CB 3.47Å; F835-N839 VanDerWaalsContact CE1-CB 3.47Å; F835-N839 HydrophobicContact CZ-CB 3.94Å; F835-N839 VanDerWaalsContact CZ-CG 3.46Å; F835-N839 WeakPolarHBondContact CZ-ND2 3.47Å; F835-N839 PolarHBondContact O-N 3.45Å; N839-S841 PolarHBondContact O-N 2.94Å
840	K	85.6	Confident	92.4	Very high	97 Å²	97	48.1 Å²	48.1	42%	0.422	23%	0.233	S	C	.	.	S	Bend	trans	63.3	-54.4	-169.7	-57.5	-175.5	-179.8	-178.7	0	114.2	E708 L836 G957	E708-K840 IonicContact OE2-NZ 2.68Å; E708-K840 PolarHBondContact OE2-NZ 3.43Å; L836-K840 WeakPolarHBondContact O-CA 2.94Å; L836-K840 PolarHBondContact O-N 2.9Å; K840-G957 WeakPolarHBondContact O-CA 3.3Å
841	S	92.1	Very high	92.9	Very high	53 Å²	53	46.9 Å²	46.9	37%	0.371	23%	0.226	S	C	.	.			trans	-142.7	164.3	-175.8	54.9	0	0	0	0	112.2	N839 C954	N839-S841 PolarHBondContact O-N 2.94Å; S841-C954 CarbonylContact C-O 3.53Å; S841-C954 WeakPolarHBondContact CA-O 3.39Å; S841-C954 WeakPolarHBondContact CB-O 3.21Å
842	I	94.7	Very high	93	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	24%	0.239	C	C	.	.			trans	-121.2	132.8	-178.4	-61.5	171.2	0	0	0	108.8	L832 F835 L836 E846 A847 I850 V885 C954	L832-I842 HydrophobicContact CD1-CD1 3.55Å; F835-I842 HydrophobicContact CD1-CD1 3.98Å; F835-I842 HydrophobicContact CD1-CG1 3.97Å; F835-I842 HydrophobicContact CE1-CD1 4.17Å; F835-I842 HydrophobicContact CE1-CG1 3.72Å; L836-I842 HydrophobicContact CD2-CD1 3.78Å; L836-I842 HydrophobicContact CD2-CG1 3.91Å; L836-I842 HydrophobicContact CG-CD1 4.42Å; I842-E846 HydrophobicContact CG2-CB 3.55Å; I842-A847 HydrophobicContact CB-CB 4.27Å; I842-A847 HydrophobicContact CG2-CB 3.98Å; I842-I850 HydrophobicContact CD1-CD1 3.97Å; I842-V885 HydrophobicContact CD1-CG1 3.82Å; I842-V885 HydrophobicContact CG1-CG1 4.26Å; I842-V885 HydrophobicContact CG2-CB 4.4Å; I842-V885 HydrophobicContact CG2-CG2 4.46Å; I842-C954 HydrophobicContact CB-CB 4.39Å; I842-C954 HydrophobicContact CD1-CB 4.3Å; I842-C954 PolarHBondContact N-O 3.19Å
843	P	94.6	Very high	93.1	Very high	73 Å²	73	50 Å²	50	47%	0.474	25%	0.245	S	C	.	.			trans	-51.1	142	172.9	-27.6	34.7	0	0	0	113.4	R845 E846 A847	P843-R845 PolarHBondContact O-N 2.79Å; P843-E846 WeakPolarHBondContact CD-OE2 3.48Å; P843-E846 PolarHBondContact O-N 3.29Å; P843-A847 PolarHBondContact O-N 2.79Å
844	E	95.6	Very high	93.3	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.248	24%	0.238	C	C	.	.	H	α-helix	trans	-53.8	-35.5	-172.6	-173	-178.4	128.3	0	0	114.2	K848 L955 V990 S991 A994	E844-K848 VanDerWaalsContact O-CB 3.27Å; E844-K848 WeakPolarHBondContact O-CB 3.49Å; E844-K848 PolarHBondContact O-N 3.08Å; E844-L955 HydrophobicContact CB-CD2 3.96Å; E844-L955 HydrophobicContact CG-CD2 4.13Å; E844-V990 WeakPolarHBondContact OE2-CA 3.48Å; E844-S991 WeakPolarHBondContact OE1-CB 3.48Å; E844-S991 PolarHBondContact OE1-OG 3.24Å; E844-S991 PolarHBondContact OE2-N 3.26Å; E844-A994 HydrophobicContact CG-CB 4.18Å
845	R	93.8	Very high	93.7	Very high	220 Å²	220	48.2 Å²	48.2	83%	0.83	24%	0.236	S	C	*	.	H	α-helix	trans	-64.2	-43.4	176.8	-178.2	-178.6	176.6	-174.9	-2.4	112.8	P843 S849	P843-R845 PolarHBondContact O-N 2.79Å; R845-S849 PolarHBondContact O-N 2.9Å; R845-S849 VanDerWaalsContact O-N 3.13Å
846	E	94.6	Very high	94	Very high	62 Å²	62	49.6 Å²	49.6	29%	0.29	25%	0.249	S	C	.	.	H	α-helix	trans	-76.2	-42.8	-179.7	-73.1	150	-136.8	0	0	110.4	I842 P843 K848 S849 I850 V885	I842-E846 HydrophobicContact CG2-CB 3.55Å; P843-E846 WeakPolarHBondContact CD-OE2 3.48Å; P843-E846 PolarHBondContact O-N 3.29Å; E846-K848 VanDerWaalsContact C-N 3.33Å; E846-K848 PolarHBondContact O-N 3.47Å; E846-S849 WeakPolarHBondContact O-CA 3.38Å; E846-S849 VanDerWaalsContact O-CB 3.27Å; E846-S849 WeakPolarHBondContact O-CB 3.45Å; E846-S849 PolarHBondContact O-N 2.82Å; E846-I850 PolarHBondContact O-N 2.83Å; E846-V885 HydrophobicContact CB-CB 4.49Å; E846-V885 HydrophobicContact CB-CG2 4.32Å; E846-V885 HydrophobicContact CG-CG2 4.38Å; E846-V885 VanDerWaalsContact OE2-CG2 3.27Å; E846-V885 WeakPolarHBondContact OE2-CG2 3.41Å
847	A	96.6	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-43.4	173.4	0	0	0	0	0	111.4	I842 P843 S849 I850 I851 F951 C954 L955	I842-A847 HydrophobicContact CB-CB 4.27Å; I842-A847 HydrophobicContact CG2-CB 3.98Å; P843-A847 PolarHBondContact O-N 2.79Å; A847-S849 PolarHBondContact O-N 2.88Å; A847-I850 PolarHBondContact O-N 3.44Å; A847-I851 WeakPolarHBondContact O-CG1 3.31Å; A847-I851 PolarHBondContact O-N 2.73Å; A847-I851 VanDerWaalsContact O-N 3.07Å; A847-F951 HydrophobicContact CB-CD2 4.02Å; A847-F951 HydrophobicContact CB-CE2 3.72Å; A847-C954 HydrophobicContact CB-CB 3.87Å; A847-L955 HydrophobicContact CB-CD2 3.77Å
848	K	96.1	Very high	94.8	Very high	44 Å²	44	43.5 Å²	43.5	19%	0.191	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-42.6	171	174.6	174.9	164.4	170.3	0	111.8	E844 E846 I850 I851 C852 Y1020 L1021 K1022	E844-K848 VanDerWaalsContact O-CB 3.27Å; E844-K848 WeakPolarHBondContact O-CB 3.49Å; E844-K848 PolarHBondContact O-N 3.08Å; E846-K848 VanDerWaalsContact C-N 3.33Å; E846-K848 PolarHBondContact O-N 3.47Å; K848-I850 VanDerWaalsContact C-N 3.34Å; K848-I850 PolarHBondContact O-N 2.92Å; K848-I851 PolarHBondContact O-N 2.8Å; K848-C852 PolarHBondContact O-N 3.26Å; K848-C852 PolarHBondContact O-SG 3.27Å; K848-Y1020 HydrophobicContact CB-CE1 4.48Å; K848-Y1020 HydrophobicContact CD-CE1 4.13Å; K848-Y1020 WeakPolarHBondContact CE-O 3.29Å; K848-Y1020 HydrophobicContact CG-CE1 4.28Å; K848-Y1020 PolarHBondContact NZ-O 3.22Å; K848-L1021 WeakPolarHBondContact CE-O 3.38Å; K848-L1021 PolarHBondContact NZ-O 3.16Å; K848-L1021 VanDerWaalsContact NZ-O 3.14Å; K848-K1022 PolarHBondContact NZ-O 3.3Å
849	S	95.1	Very high	95.3	Very high	46 Å²	46	44.3 Å²	44.3	32%	0.322	23%	0.225	S	C	.	.	H	α-helix	trans	-57.5	-46.1	178.4	-169.5	0	0	0	0	112	R845 E846 A847 C852 Q853	R845-S849 PolarHBondContact O-N 2.9Å; R845-S849 VanDerWaalsContact O-N 3.13Å; E846-S849 WeakPolarHBondContact O-CA 3.38Å; E846-S849 VanDerWaalsContact O-CB 3.27Å; E846-S849 WeakPolarHBondContact O-CB 3.45Å; E846-S849 PolarHBondContact O-N 2.82Å; A847-S849 PolarHBondContact O-N 2.88Å; S849-C852 PolarHBondContact O-N 2.89Å; S849-Q853 WeakPolarHBondContact O-CG 3.27Å; S849-Q853 PolarHBondContact O-N 3.09Å
850	I	96.8	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-48.2	175.8	-64.7	166.3	0	0	0	110.3	L832 I842 E846 A847 K848 C852 Q853 V854 I878 V885 I889	L832-I850 HydrophobicContact CD1-CD1 3.96Å; L832-I850 HydrophobicContact CD2-CG2 4.06Å; I842-I850 HydrophobicContact CD1-CD1 3.97Å; E846-I850 PolarHBondContact O-N 2.83Å; A847-I850 PolarHBondContact O-N 3.44Å; K848-I850 VanDerWaalsContact C-N 3.34Å; K848-I850 PolarHBondContact O-N 2.92Å; I850-C852 PolarHBondContact O-N 2.81Å; I850-Q853 PolarHBondContact O-N 3.34Å; I850-V854 HydrophobicContact CG2-CG2 4.38Å; I850-V854 WeakPolarHBondContact O-CG2 3.21Å; I850-V854 PolarHBondContact O-N 2.87Å; I850-I878 HydrophobicContact CG2-CG2 4.5Å; I850-V885 HydrophobicContact CD1-CB 4.14Å; I850-V885 HydrophobicContact CD1-CG1 4.08Å; I850-I889 HydrophobicContact CG1-CG2 4.22Å; I850-I889 HydrophobicContact CG2-CG2 4.39Å
851	I	97.7	Very high	96.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-40	-179.1	-63.9	-60.2	0	0	0	112.6	A847 K848 Q853 V854 V855 V947 I950 F951 F997 L1021	A847-I851 WeakPolarHBondContact O-CG1 3.31Å; A847-I851 PolarHBondContact O-N 2.73Å; A847-I851 VanDerWaalsContact O-N 3.07Å; K848-I851 PolarHBondContact O-N 2.8Å; I851-Q853 VanDerWaalsContact C-N 3.27Å; I851-Q853 PolarHBondContact O-N 2.95Å; I851-V854 PolarHBondContact O-N 2.74Å; I851-V855 HydrophobicContact CG2-CG2 4.15Å; I851-V855 WeakPolarHBondContact O-CB 3.42Å; I851-V855 WeakPolarHBondContact O-CG2 3.49Å; I851-V855 PolarHBondContact O-N 3.5Å; I851-V947 HydrophobicContact CD1-CG1 4.36Å; I851-V947 HydrophobicContact CG2-CG1 3.93Å; I851-I950 HydrophobicContact CD1-CG2 4.14Å; I851-F951 HydrophobicContact CD1-CB 3.77Å; I851-F951 HydrophobicContact CD1-CD2 4.46Å; I851-F951 HydrophobicContact CD1-CG 4.36Å; I851-F951 HydrophobicContact CG1-CB 3.78Å; I851-F951 HydrophobicContact CG1-CD2 3.62Å; I851-F951 HydrophobicContact CG1-CE2 4.43Å; I851-F951 HydrophobicContact CG1-CG 3.79Å; I851-F997 HydrophobicContact CG2-CE1 3.88Å; I851-F997 HydrophobicContact CG2-CZ 3.94Å; I851-L1021 HydrophobicContact CG2-CD2 4.09Å
852	C	96.5	Very high	96.6	Very high	42 Å²	42	35.8 Å²	35.8	28%	0.284	18%	0.177	S	C	.	.	H	α-helix	trans	-58.4	-40.4	173.8	-69.5	0	0	0	0	111.8	K848 S849 I850 S856	K848-C852 PolarHBondContact O-N 3.26Å; K848-C852 PolarHBondContact O-SG 3.27Å; S849-C852 PolarHBondContact O-N 2.89Å; I850-C852 PolarHBondContact O-N 2.81Å; C852-S856 WeakPolarHBondContact O-CB 3.29Å; C852-S856 PolarHBondContact O-N 2.9Å
853	Q	97.2	Very high	96.7	Very high	25 Å²	25	40.7 Å²	40.7	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-70.8	-37.8	177.3	-67.6	-178.8	73.9	0	0	112.7	R805 S849 I850 I851 S856 A857 G887 I889	R805-Q853 VanDerWaalsContact CD-OE1 3.31Å; R805-Q853 HydrophobicContact CG-CB 4.3Å; S849-Q853 WeakPolarHBondContact O-CG 3.27Å; S849-Q853 PolarHBondContact O-N 3.09Å; I850-Q853 PolarHBondContact O-N 3.34Å; I851-Q853 VanDerWaalsContact C-N 3.27Å; I851-Q853 PolarHBondContact O-N 2.95Å; Q853-S856 WeakPolarHBondContact O-CB 3.49Å; Q853-S856 PolarHBondContact O-N 2.71Å; Q853-A857 PolarHBondContact O-N 3.27Å; Q853-G887 PolarHBondContact NE2-O 3.37Å; Q853-G887 VanDerWaalsContact NE2-O 3.07Å; Q853-I889 HydrophobicContact CB-CD1 3.84Å; Q853-I889 HydrophobicContact CB-CG1 3.48Å; Q853-I889 VanDerWaalsContact CB-CG1 3.48Å; Q853-I889 HydrophobicContact CG-CG1 4.36Å
854	V	98.3	Very high	96.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-46.8	174.9	169.1	0	0	0	0	111.1	I850 I851 S856 A857 L858 L873 I878 I889 I891 V947	I850-V854 HydrophobicContact CG2-CG2 4.38Å; I850-V854 WeakPolarHBondContact O-CG2 3.21Å; I850-V854 PolarHBondContact O-N 2.87Å; I851-V854 PolarHBondContact O-N 2.74Å; V854-S856 VanDerWaalsContact C-N 3.28Å; V854-S856 PolarHBondContact O-N 2.83Å; V854-A857 WeakPolarHBondContact O-CB 3.36Å; V854-A857 PolarHBondContact O-N 3.3Å; V854-A857 VanDerWaalsContact O-N 3.11Å; V854-L858 HydrophobicContact CG1-CD1 4.38Å; V854-L858 PolarHBondContact O-N 3.22Å; V854-L873 HydrophobicContact CG1-CD2 3.94Å; V854-I878 HydrophobicContact CG2-CD1 3.83Å; V854-I878 HydrophobicContact CG2-CG1 4.32Å; V854-I889 HydrophobicContact CG2-CD1 3.75Å; V854-I889 HydrophobicContact CG2-CG1 4.45Å; V854-I891 HydrophobicContact CB-CD1 4.48Å; V854-I891 HydrophobicContact CG1-CD1 4.07Å; V854-I891 HydrophobicContact CG2-CD1 4.48Å; V854-V947 HydrophobicContact CG1-CG2 3.87Å
855	V	98.1	Very high	96.6	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-33.7	177.9	173.5	0	0	0	0	111.4	I851 L858 K859 V947 L1015 L1021	I851-V855 HydrophobicContact CG2-CG2 4.15Å; I851-V855 WeakPolarHBondContact O-CB 3.42Å; I851-V855 WeakPolarHBondContact O-CG2 3.49Å; I851-V855 PolarHBondContact O-N 3.5Å; V855-L858 PolarHBondContact O-N 2.64Å; V855-K859 WeakPolarHBondContact O-CB 3.47Å; V855-K859 PolarHBondContact O-N 2.97Å; V855-V947 HydrophobicContact CG2-CG1 4.16Å; V855-V947 HydrophobicContact CG2-CG2 4.5Å; V855-L1015 HydrophobicContact CG2-CD2 4.02Å; V855-L1021 HydrophobicContact CB-CD1 4.16Å; V855-L1021 HydrophobicContact CG1-CD1 3.98Å; V855-L1021 HydrophobicContact CG2-CD1 4.06Å
856	S	97.3	Very high	96.6	Very high	56 Å²	56	38.5 Å²	38.5	39%	0.392	19%	0.191	S	C	.	.	H	α-helix	trans	-60.3	-43.3	170.8	-173.9	0	0	0	0	112.4	C852 Q853 V854 K859 Y860	C852-S856 WeakPolarHBondContact O-CB 3.29Å; C852-S856 PolarHBondContact O-N 2.9Å; Q853-S856 WeakPolarHBondContact O-CB 3.49Å; Q853-S856 PolarHBondContact O-N 2.71Å; V854-S856 VanDerWaalsContact C-N 3.28Å; V854-S856 PolarHBondContact O-N 2.83Å; S856-K859 PolarHBondContact O-N 3.41Å; S856-Y860 PolarHBondContact O-N 3.13Å; S856-Y860 VanDerWaalsContact O-N 3.1Å
857	A	98.1	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-43.4	174.9	0	0	0	0	0	112.8	R805 I806 Q853 V854 K859 Y860 L861 I891	R805-A857 HydrophobicContact CB-CB 4.03Å; I806-A857 HydrophobicContact CD1-CB 4.5Å; I806-A857 HydrophobicContact CG1-CB 4.1Å; Q853-A857 PolarHBondContact O-N 3.27Å; V854-A857 WeakPolarHBondContact O-CB 3.36Å; V854-A857 PolarHBondContact O-N 3.3Å; V854-A857 VanDerWaalsContact O-N 3.11Å; A857-K859 VanDerWaalsContact C-N 3.33Å; A857-K859 PolarHBondContact O-N 3.31Å; A857-Y860 WeakPolarHBondContact O-CB 3.47Å; A857-Y860 PolarHBondContact O-N 2.84Å; A857-L861 WeakPolarHBondContact O-CG 3.48Å; A857-L861 PolarHBondContact O-N 3.16Å; A857-I891 HydrophobicContact CB-CD1 3.57Å; A857-I891 HydrophobicContact CB-CG1 4.23Å
858	L	98.3	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-40.1	176.4	-67	-179.8	0	0	0	111.8	V854 V855 L861 N862 H870 L873 D943 I944 V947 V1012	V854-L858 HydrophobicContact CG1-CD1 4.38Å; V854-L858 PolarHBondContact O-N 3.22Å; V855-L858 PolarHBondContact O-N 2.64Å; L858-L861 HydrophobicContact CD2-CD1 4.26Å; L858-L861 WeakPolarHBondContact O-CB 3.44Å; L858-L861 PolarHBondContact O-N 3.26Å; L858-N862 PolarHBondContact O-N 3.33Å; L858-N862 PolarHBondContact O-ND2 2.97Å; L858-H870 HydrophobicContact CD2-CB 4.43Å; L858-L873 HydrophobicContact CD1-CD2 4.04Å; L858-L873 HydrophobicContact CD2-CD2 4.31Å; L858-D943 HydrophobicContact CD1-CB 3.95Å; L858-D943 HydrophobicContact CD2-CB 3.92Å; L858-I944 HydrophobicContact CD1-CD1 4.39Å; L858-V947 HydrophobicContact CD1-CG2 3.58Å; L858-V1012 VanDerWaalsContact C-CG1 3.49Å; L858-V1012 HydrophobicContact CB-CG1 3.84Å
859	K	97.8	Very high	96.5	Very high	68 Å²	68	35 Å²	35	30%	0.296	18%	0.179	S	C	.	.	H	α-helix	trans	-57.7	-51.6	174.4	176	173.1	173.4	170.9	0	110.7	V855 S856 A857 L861 N862 E863 V1012	V855-K859 WeakPolarHBondContact O-CB 3.47Å; V855-K859 PolarHBondContact O-N 2.97Å; S856-K859 PolarHBondContact O-N 3.41Å; A857-K859 VanDerWaalsContact C-N 3.33Å; A857-K859 PolarHBondContact O-N 3.31Å; K859-L861 VanDerWaalsContact C-N 3.3Å; K859-L861 PolarHBondContact O-N 2.93Å; K859-N862 CarbonylContact O-C 3.59Å; K859-N862 PolarHBondContact O-N 3.16Å; K859-E863 WeakPolarHBondContact CE-OE1 3.48Å; K859-E863 HydrophobicContact CG-CG 4.3Å; K859-E863 IonicContact NZ-OE1 3.95Å; K859-E863 WeakPolarHBondContact O-CG 3.41Å; K859-E863 PolarHBondContact O-N 3.48Å; K859-V1012 HydrophobicContact CB-CG1 4.27Å
860	Y	98.2	Very high	96.6	Very high	41 Å²	41	32.8 Å²	32.8	16%	0.161	16%	0.163	C	C	.	.	H	α-helix	trans	-53.3	-45.2	173.7	167.8	-94.8	0	0	0	112.3	L801 H802 H803 I806 S856 A857 N862 E863 R864	L801-Y860 HydrophobicContact CB-CE1 4.4Å; L801-Y860 HydrophobicContact CD2-CE1 4.27Å; H802-Y860 PolarHBondContact N-OH 2.92Å; H803-Y860 HydrophobicContact CB-CD1 3.64Å; H803-Y860 HydrophobicContact CB-CD2 4.16Å; H803-Y860 HydrophobicContact CB-CE1 3.87Å; H803-Y860 HydrophobicContact CB-CE2 4.36Å; H803-Y860 HydrophobicContact CB-CG 3.8Å; H803-Y860 AromaticContact CD2-CG 3.79Å; H803-Y860 AromaticContact CG-CG 3.82Å; I806-Y860 HydrophobicContact CD1-CD1 3.75Å; I806-Y860 HydrophobicContact CD1-CE1 4.06Å; S856-Y860 PolarHBondContact O-N 3.13Å; S856-Y860 VanDerWaalsContact O-N 3.1Å; A857-Y860 WeakPolarHBondContact O-CB 3.47Å; A857-Y860 PolarHBondContact O-N 2.84Å; Y860-N862 PolarHBondContact O-N 2.97Å; Y860-E863 PolarHBondContact O-N 2.9Å; Y860-R864 WeakPolarHBondContact O-CG 3.3Å; Y860-R864 PolarHBondContact OH-NH1 2.54Å
861	L	97.7	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-29.4	177.4	-68.7	178.9	0	0	0	113.4	L801 I806 A857 L858 K859 V868 H870 F894	L801-L861 HydrophobicContact CD1-CD2 3.84Å; L801-L861 HydrophobicContact CD2-CD2 3.8Å; L801-L861 HydrophobicContact CG-CD2 4.42Å; I806-L861 HydrophobicContact CD1-CD2 3.81Å; I806-L861 HydrophobicContact CD1-CG 4.13Å; A857-L861 WeakPolarHBondContact O-CG 3.48Å; A857-L861 PolarHBondContact O-N 3.16Å; L858-L861 HydrophobicContact CD2-CD1 4.26Å; L858-L861 WeakPolarHBondContact O-CB 3.44Å; L858-L861 PolarHBondContact O-N 3.26Å; K859-L861 VanDerWaalsContact C-N 3.3Å; K859-L861 PolarHBondContact O-N 2.93Å; L861-V868 HydrophobicContact CB-CB 4.22Å; L861-V868 HydrophobicContact CD2-CB 4.18Å; L861-V868 HydrophobicContact CD2-CG1 4.49Å; L861-V868 PolarHBondContact O-N 3.08Å; L861-H870 HydrophobicContact CD1-CB 4.47Å; L861-F894 HydrophobicContact CD1-CE1 3.96Å; L861-F894 HydrophobicContact CD2-CE1 4.03Å
862	N	96.6	Very high	96.4	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.059	17%	0.167	C	C	.	.	H	α-helix	trans	-88.9	-23.2	-179.4	-80	-110.9	0	0	0	113.4	L858 K859 Y860 R864 S940 V1012 F1013	L858-N862 PolarHBondContact O-N 3.33Å; L858-N862 PolarHBondContact O-ND2 2.97Å; K859-N862 CarbonylContact O-C 3.59Å; K859-N862 PolarHBondContact O-N 3.16Å; Y860-N862 PolarHBondContact O-N 2.97Å; N862-R864 PolarHBondContact O-N 3.42Å; N862-S940 WeakPolarHBondContact OD1-CB 3.41Å; N862-S940 PolarHBondContact OD1-OG 3.15Å; N862-V1012 HydrophobicContact CB-CB 4.34Å; N862-V1012 HydrophobicContact CB-CG1 4.32Å; N862-F1013 HydrophobicContact CB-CE1 4.5Å; N862-F1013 HydrophobicContact CB-CE2 3.99Å; N862-F1013 HydrophobicContact CB-CZ 3.78Å
863	E	96.6	Very high	96.5	Very high	107 Å²	107	31.5 Å²	31.5	50%	0.5	15%	0.154	S	C	.	.	H	α-helix	trans	-74.7	-14.2	173.7	-72.1	172.5	150.5	0	0	113	K859 Y860 F1013	K859-E863 WeakPolarHBondContact CE-OE1 3.48Å; K859-E863 HydrophobicContact CG-CG 4.3Å; K859-E863 IonicContact NZ-OE1 3.95Å; K859-E863 WeakPolarHBondContact O-CG 3.41Å; K859-E863 PolarHBondContact O-N 3.48Å; Y860-E863 PolarHBondContact O-N 2.9Å; E863-F1013 HydrophobicContact CG-CE1 3.71Å; E863-F1013 HydrophobicContact CG-CZ 4.33Å
864	R	94.5	Very high	96.4	Very high	56 Å²	56	31.2 Å²	31.2	21%	0.211	15%	0.152	C	C	.	.	S	Bend	trans	-69.8	157.6	176.4	-68.3	179.9	64.7	79.1	13	112.5	T800 Y860 N862 P866 P867	T800-R864 VanDerWaalsContact CB-NH2 3.3Å; T800-R864 PolarHBondContact O-NH1 3.44Å; T800-R864 PolarHBondContact OG1-NH2 2.86Å; Y860-R864 WeakPolarHBondContact O-CG 3.3Å; Y860-R864 PolarHBondContact OH-NH1 2.54Å; N862-R864 PolarHBondContact O-N 3.42Å; R864-P866 CarbonylContact C-O 3.52Å; R864-P866 CarbonylContact O-C 3.59Å; R864-P866 VanDerWaalsContact O-C 3.27Å; R864-P867 WeakPolarHBondContact O-CA 3.38Å; R864-P867 WeakPolarHBondContact O-CD 3.38Å; R864-P867 WeakPolarHBondContact O-CG 3.47Å; R864-P867 VanDerWaalsContact O-N 3.09Å
865	K	92.6	Very high	96.4	Very high	196 Å²	196	31.1 Å²	31.1	85%	0.852	15%	0.151	S	C	*	.	S	Bend	trans	-122	116.8	169.5	-63.5	-172.2	179.4	-173.1	0	109.3
866	P	93.3	Very high	96.2	Very high	48 Å²	48	31.6 Å²	31.6	31%	0.312	16%	0.157	S	C	.	.	S	Bend	cis	-62.9	154	-13.1	30.1	-36.8	0	0	0	112.2	R864 L899 T901	R864-P866 CarbonylContact C-O 3.52Å; R864-P866 CarbonylContact O-C 3.59Å; R864-P866 VanDerWaalsContact O-C 3.27Å; P866-L899 HydrophobicContact CG-CB 4.12Å; P866-L899 HydrophobicContact CG-CD1 4.14Å; P866-L899 HydrophobicContact CG-CD2 4.22Å; P866-L899 HydrophobicContact CG-CG 4.4Å; P866-T901 HydrophobicContact CB-CG2 3.89Å; P866-T901 HydrophobicContact CG-CG2 3.87Å
867	P	95.2	Very high	96.1	Very high	33 Å²	33	29 Å²	29	21%	0.214	14%	0.139	C	C	.	.			trans	-63.2	154.5	171.3	-22	32.9	0	0	0	112.2	R864 M900	R864-P867 WeakPolarHBondContact O-CA 3.38Å; R864-P867 WeakPolarHBondContact O-CD 3.38Å; R864-P867 WeakPolarHBondContact O-CG 3.47Å; R864-P867 VanDerWaalsContact O-N 3.09Å; P867-M900 HydrophobicContact CB-CB 4.14Å; P867-M900 HydrophobicContact CB-CE 4.25Å; P867-M900 HydrophobicContact CB-SD 4.01Å; P867-M900 HydrophobicContact CG-CB 4.38Å; P867-M900 PolarHBondContact O-N 3.05Å
868	V	95.1	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.7	-178.1	-168.2	0	0	0	0	110.8	I797 L861 K898 L899	I797-V868 HydrophobicContact CG2-CG1 3.93Å; I797-V868 HydrophobicContact CG2-CG2 4.47Å; L861-V868 HydrophobicContact CB-CB 4.22Å; L861-V868 HydrophobicContact CD2-CB 4.18Å; L861-V868 HydrophobicContact CD2-CG1 4.49Å; L861-V868 PolarHBondContact O-N 3.08Å; V868-K898 WeakPolarHBondContact CA-O 3.41Å; V868-L899 HydrophobicContact CG1-CD2 4.41Å; V868-L899 HydrophobicContact CG2-CD2 3.79Å
869	I	95.6	Very high	96	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.3	167.2	-50.7	176	0	0	0	107.9	S897 K898 M900 M911 V942	I869-S897 CarbonylContact O-C 3.54Å; I869-S897 WeakPolarHBondContact O-CA 3.45Å; I869-S897 WeakPolarHBondContact O-CB 3.5Å; I869-K898 HydrophobicContact CB-CB 4.34Å; I869-K898 PolarHBondContact N-O 3.18Å; I869-K898 PolarHBondContact O-N 2.98Å; I869-M900 HydrophobicContact CD1-CG 3.84Å; I869-M900 HydrophobicContact CD1-SD 3.78Å; I869-M900 HydrophobicContact CG1-CG 3.85Å; I869-M900 HydrophobicContact CG1-SD 3.45Å; I869-M900 WeakPolarHBondContact CG1-SD 3.26Å; I869-M911 HydrophobicContact CD1-CG 4.5Å; I869-M911 HydrophobicContact CD1-SD 3.85Å; I869-V942 HydrophobicContact CG2-CG2 3.39Å
870	H	96.1	Very high	95.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.			trans	-71.9	-41	177.6	-166.2	-70.8	0	0	0	111.7	L858 L861 D872 L873 I891 T892 F894 S897 D943	L858-H870 HydrophobicContact CD2-CB 4.43Å; L861-H870 HydrophobicContact CD1-CB 4.47Å; H870-D872 PolarHBondContact O-N 2.85Å; H870-L873 PolarHBondContact ND1-N 3.28Å; H870-I891 VanDerWaalsContact NE2-CG2 3.26Å; H870-I891 WeakPolarHBondContact NE2-CG2 3.26Å; H870-T892 PolarHBondContact NE2-O 2.8Å; H870-F894 AromaticContact CD2-CD1 3.87Å; H870-F894 AromaticContact CD2-CE1 3.54Å; H870-F894 AromaticContact CD2-CZ 4Å; H870-F894 AromaticContact NE2-CE1 3.98Å; H870-S897 WeakPolarHBondContact CA-OG 3.33Å; H870-S897 WeakPolarHBondContact O-CA 3.36Å; H870-S897 PolarHBondContact O-OG 3.32Å; H870-D943 PolarHBondContact N-OD1 2.85Å; H870-D943 PolarHBondContact N-OD2 3.11Å
871	Y	95.7	Very high	95.2	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.012	13%	0.129	C	C	.	.			trans	67.9	-34.4	175.1	-171.2	-89	0	0	0	116.4	L896 K898 L913 A918 L924 I938 V942 D943	Y871-L896 HydrophobicContact CD1-CB 4Å; Y871-K898 HydrophobicContact CD2-CD 4.43Å; Y871-L913 HydrophobicContact CE2-CD1 3.71Å; Y871-L913 HydrophobicContact CE2-CD2 4.45Å; Y871-L913 WeakPolarHBondContact OH-CD1 3.37Å; Y871-A918 WeakPolarHBondContact CE1-O 3.36Å; Y871-A918 PolarHBondContact OH-O 3.18Å; Y871-L924 HydrophobicContact CE1-CD2 4.07Å; Y871-L924 HydrophobicContact CE2-CD2 4.29Å; Y871-L924 VanDerWaalsContact O-CD2 3.3Å; Y871-L924 WeakPolarHBondContact O-CD2 3.42Å; Y871-I938 HydrophobicContact CD2-CD1 4.09Å; Y871-I938 HydrophobicContact CE2-CD1 4.04Å; Y871-V942 HydrophobicContact CD2-CG2 4.21Å; Y871-D943 WeakPolarHBondContact CA-OD1 3.37Å; Y871-D943 PolarHBondContact N-OD1 3.48Å
872	D	95.6	Very high	94.4	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.07	15%	0.151	C	C	.	.			trans	-116.6	44.5	176.4	-167.1	37.6	0	0	0	112.7	H870 K874 N877 L896 T920	H870-D872 PolarHBondContact O-N 2.85Å; D872-K874 VanDerWaalsContact CG-NZ 3.34Å; D872-K874 PolarHBondContact O-N 3.08Å; D872-K874 IonicContact OD1-NZ 3.69Å; D872-K874 PolarHBondContact OD1-NZ 3.42Å; D872-K874 IonicContact OD2-NZ 3.73Å; D872-K874 PolarHBondContact OD2-NZ 3.23Å; D872-N877 PolarHBondContact O-ND2 3.47Å; D872-N877 VanDerWaalsContact O-ND2 3.15Å; D872-L896 HydrophobicContact CB-CB 4.15Å; D872-L896 HydrophobicContact CB-CD1 3.92Å; D872-T920 WeakPolarHBondContact OD1-CB 3.23Å; D872-T920 PolarHBondContact OD1-N 3.46Å; D872-T920 PolarHBondContact OD1-OG1 3.2Å
873	L	97.6	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.			trans	-72.9	121	177.7	-175.5	68.7	0	0	0	110.7	V854 L858 H870 I878 I891 S946 V947 I950	V854-L873 HydrophobicContact CG1-CD2 3.94Å; L858-L873 HydrophobicContact CD1-CD2 4.04Å; L858-L873 HydrophobicContact CD2-CD2 4.31Å; H870-L873 PolarHBondContact ND1-N 3.28Å; L873-I878 HydrophobicContact CD1-CG1 4.43Å; L873-I891 HydrophobicContact CD1-CD1 3.98Å; L873-I891 HydrophobicContact CD1-CG1 4.5Å; L873-I891 HydrophobicContact CD1-CG2 4.07Å; L873-S946 WeakPolarHBondContact O-CB 3.32Å; L873-V947 HydrophobicContact CD2-CG2 3.87Å; L873-I950 HydrophobicContact CD2-CD1 4.22Å; L873-I950 HydrophobicContact CG-CD1 3.85Å
874	K	97.1	Very high	92.6	Very high	18 Å²	18	30 Å²	30	8%	0.078	17%	0.166	C	C	.	.			trans	-155.7	164.6	-176.2	66	-156.5	179.7	-164.1	0	111.2	D872 G876 N877 T920 Y923	D872-K874 VanDerWaalsContact CG-NZ 3.34Å; D872-K874 PolarHBondContact O-N 3.08Å; D872-K874 IonicContact OD1-NZ 3.69Å; D872-K874 PolarHBondContact OD1-NZ 3.42Å; D872-K874 IonicContact OD2-NZ 3.73Å; D872-K874 PolarHBondContact OD2-NZ 3.23Å; K874-G876 VanDerWaalsContact C-N 3.26Å; K874-G876 PolarHBondContact O-N 2.99Å; K874-N877 WeakPolarHBondContact CE-ND2 3.22Å; K874-N877 WeakPolarHBondContact CE-OD1 3.32Å; K874-N877 HydrophobicContact CG-CB 4.08Å; K874-N877 WeakPolarHBondContact O-CA 3.47Å; K874-N877 PolarHBondContact O-N 3.22Å; K874-T920 HydrophobicContact CD-CG2 4.16Å; K874-T920 WeakPolarHBondContact CD-OG1 3.35Å; K874-T920 PolarHBondContact NZ-OG1 3.49Å; K874-Y923 HydrophobicContact CB-CD1 4.47Å; K874-Y923 HydrophobicContact CB-CD2 3.71Å; K874-Y923 HydrophobicContact CB-CE2 3.75Å; K874-Y923 HydrophobicContact CB-CG 4.09Å
875	P	96.8	Very high	91.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60.2	-32.1	-178	-23.7	35.3	0	0	0	113.8	L832 D833 L836 N877 I878 Y923 I950	L832-P875 HydrophobicContact CB-CB 3.92Å; L832-P875 WeakPolarHBondContact CB-O 3.48Å; L832-P875 HydrophobicContact CD2-CB 4.16Å; L832-P875 HydrophobicContact CG-CB 3.98Å; L832-P875 PolarHBondContact N-O 2.98Å; L832-P875 VanDerWaalsContact N-O 3.09Å; D833-P875 HydrophobicContact CB-CB 4.01Å; D833-P875 PolarHBondContact N-O 3.14Å; L836-P875 HydrophobicContact CD1-CB 4.22Å; L836-P875 HydrophobicContact CD1-CG 4.35Å; P875-N877 PolarHBondContact O-N 3.49Å; P875-I878 PolarHBondContact O-N 2.88Å; P875-Y923 VanDerWaalsContact CD-CE1 3.45Å; P875-Y923 VanDerWaalsContact CD-CZ 3.45Å; P875-Y923 WeakPolarHBondContact CD-OH 3.21Å; P875-Y923 HydrophobicContact CG-CE1 4.08Å; P875-I950 HydrophobicContact CG-CG1 4.14Å; P875-I950 HydrophobicContact CG-CG2 4.43Å
876	G	94.2	Very high	91.3	Very high	13 Å²	13	22 Å²	22	13%	0.134	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-66.3	-14.4	173.7	0	0	0	0	0	115	S382 K874	S382-G876 WeakPolarHBondContact CB-O 3.3Å; K874-G876 VanDerWaalsContact C-N 3.26Å; K874-G876 PolarHBondContact O-N 2.99Å
877	N	96.3	Very high	91.1	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-107.9	12.8	179.2	-68.5	16.4	0	0	0	111.8	D872 K874 P875 I891 T892	D872-N877 PolarHBondContact O-ND2 3.47Å; D872-N877 VanDerWaalsContact O-ND2 3.15Å; K874-N877 WeakPolarHBondContact CE-ND2 3.22Å; K874-N877 WeakPolarHBondContact CE-OD1 3.32Å; K874-N877 HydrophobicContact CG-CB 4.08Å; K874-N877 WeakPolarHBondContact O-CA 3.47Å; K874-N877 PolarHBondContact O-N 3.22Å; P875-N877 PolarHBondContact O-N 3.49Å; N877-I891 WeakPolarHBondContact O-CA 3.49Å; N877-T892 WeakPolarHBondContact CB-O 3.3Å; N877-T892 PolarHBondContact O-N 2.84Å; N877-T892 VanDerWaalsContact O-N 3.08Å
878	I	97.4	Very high	91	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	104.9	173.9	-63.4	166.7	0	0	0	107.3	D831 L832 I850 V854 L873 P875 I889 I950	D831-I878 CarbonylContact C-O 3.58Å; D831-I878 VanDerWaalsContact CA-O 3.32Å; D831-I878 WeakPolarHBondContact CA-O 3.31Å; L832-I878 HydrophobicContact CB-CB 4.17Å; L832-I878 HydrophobicContact CB-CG2 4.31Å; L832-I878 HydrophobicContact CD2-CB 4.4Å; L832-I878 HydrophobicContact CD2-CD1 4.13Å; L832-I878 HydrophobicContact CD2-CG2 4.27Å; L832-I878 PolarHBondContact N-O 3.02Å; I850-I878 HydrophobicContact CG2-CG2 4.5Å; V854-I878 HydrophobicContact CG2-CD1 3.83Å; V854-I878 HydrophobicContact CG2-CG1 4.32Å; L873-I878 HydrophobicContact CD1-CG1 4.43Å; P875-I878 PolarHBondContact O-N 2.88Å; I878-I889 HydrophobicContact CG2-CB 3.97Å; I878-I889 HydrophobicContact CG2-CD1 4.26Å; I878-I889 HydrophobicContact CG2-CG1 4.35Å; I878-I889 HydrophobicContact CG2-CG2 4.34Å; I878-I950 HydrophobicContact CD1-CD1 4.07Å; I878-I950 HydrophobicContact CD1-CG2 4.25Å
879	L	95.9	Very high	91.1	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	136.1	178	-53.6	-176.1	0	0	0	110.3	I380 V807 D831 I889 K890 T892	I380-L879 HydrophobicContact CD1-CD1 4.31Å; I380-L879 HydrophobicContact CG1-CD2 4.48Å; I380-L879 HydrophobicContact CG2-CD2 4.47Å; V807-L879 HydrophobicContact CG2-CD1 3.82Å; D831-L879 HydrophobicContact CB-CD2 4.09Å; L879-I889 CarbonylContact O-C 3.57Å; L879-I889 VanDerWaalsContact O-CA 3.23Å; L879-I889 WeakPolarHBondContact O-CA 3.41Å; L879-K890 PolarHBondContact N-O 2.98Å; L879-K890 PolarHBondContact O-N 2.82Å; L879-T892 HydrophobicContact CD1-CG2 4.22Å; L879-T892 HydrophobicContact CD2-CG2 4.3Å; L879-T892 HydrophobicContact CG-CG2 4.04Å
880	L	94.1	Very high	91.1	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.6	171.9	-55.4	-178.5	0	0	0	108.7	G829 N830 L832 F835 S882 G883 V885 I889	G829-L880 CarbonylContact C-O 3.57Å; G829-L880 WeakPolarHBondContact CA-O 3.43Å; G829-L880 PolarHBondContact N-O 2.93Å; N830-L880 WeakPolarHBondContact O-CB 3.46Å; N830-L880 PolarHBondContact O-N 3.42Å; L832-L880 HydrophobicContact CD1-CD2 4.38Å; F835-L880 HydrophobicContact CB-CD1 3.94Å; F835-L880 HydrophobicContact CD2-CD1 3.95Å; F835-L880 HydrophobicContact CG-CD1 4.1Å; L880-S882 PolarHBondContact O-N 2.99Å; L880-G883 PolarHBondContact O-N 3.03Å; L880-G883 VanDerWaalsContact O-N 3.12Å; L880-V885 HydrophobicContact CD1-CG1 3.98Å; L880-I889 HydrophobicContact CD2-CG2 3.68Å
881	G	85.2	Confident	91.2	Very high	21 Å²	21	25.1 Å²	25.1	22%	0.216	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-58.5	-169.4	0	0	0	0	0	113.4	E828 G829 E888	E828-G881 PolarHBondContact N-O 2.9Å; G829-G881 PolarHBondContact N-O 2.81Å; G881-E888 PolarHBondContact N-O 3.47Å
882	S	80.2	Confident	91.2	Very high	66 Å²	66	25.3 Å²	25.3	46%	0.462	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	13.9	177	58.6	0	0	0	0	113.8	L880 Q884	L880-S882 PolarHBondContact O-N 2.99Å; S882-Q884 PolarHBondContact O-N 3.45Å; S882-Q884 VanDerWaalsContact O-N 3.08Å
883	G	76.4	Confident	90.9	Very high	29 Å²	29	25.1 Å²	25.1	30%	0.299	16%	0.16	S	C	.	.	S	Bend	trans	70.2	-4.8	-175.2	0	0	0	0	0	115.8	L880	L880-G883 PolarHBondContact O-N 3.03Å; L880-G883 VanDerWaalsContact O-N 3.12Å
884	Q	79.9	Confident	90.6	Very high	126 Å²	126	25.1 Å²	25.1	59%	0.589	16%	0.16	S	C	*	.			trans	-100.9	137.5	179.9	-58.5	-177.4	23.3	0	0	111.5	S882 A886 G887	S882-Q884 PolarHBondContact O-N 3.45Å; S882-Q884 VanDerWaalsContact O-N 3.08Å; Q884-A886 PolarHBondContact O-N 2.81Å; Q884-G887 PolarHBondContact O-N 2.82Å
885	V	79.9	Confident	89.9	Confident	12 Å²	12	26 Å²	26	7%	0.073	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-15	177.2	-72.7	0	0	0	0	114.6	F835 I842 E846 I850 L880 G887	F835-V885 HydrophobicContact CD1-CG1 3.69Å; F835-V885 HydrophobicContact CD2-CG1 3.85Å; F835-V885 HydrophobicContact CE1-CG1 3.52Å; F835-V885 HydrophobicContact CE1-CG2 4.36Å; F835-V885 HydrophobicContact CE2-CG1 3.67Å; F835-V885 HydrophobicContact CE2-CG2 4.29Å; F835-V885 HydrophobicContact CG-CG1 3.86Å; F835-V885 HydrophobicContact CZ-CB 4.32Å; F835-V885 HydrophobicContact CZ-CG1 3.5Å; F835-V885 HydrophobicContact CZ-CG2 3.81Å; I842-V885 HydrophobicContact CD1-CG1 3.82Å; I842-V885 HydrophobicContact CG1-CG1 4.26Å; I842-V885 HydrophobicContact CG2-CB 4.4Å; I842-V885 HydrophobicContact CG2-CG2 4.46Å; E846-V885 HydrophobicContact CB-CB 4.49Å; E846-V885 HydrophobicContact CB-CG2 4.32Å; E846-V885 HydrophobicContact CG-CG2 4.38Å; E846-V885 VanDerWaalsContact OE2-CG2 3.27Å; E846-V885 WeakPolarHBondContact OE2-CG2 3.41Å; I850-V885 HydrophobicContact CD1-CB 4.14Å; I850-V885 HydrophobicContact CD1-CG1 4.08Å; L880-V885 HydrophobicContact CD1-CG1 3.98Å; V885-G887 VanDerWaalsContact C-N 3.32Å
886	A	80.8	Confident	89.4	Confident	71 Å²	71	27.7 Å²	27.7	59%	0.587	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7	170.1	0	0	0	0	0	113.5	Q884	Q884-A886 PolarHBondContact O-N 2.81Å
887	G	87.5	Confident	89.2	Confident	19 Å²	19	27.7 Å²	27.7	20%	0.196	18%	0.181	C	C	.	.	S	Bend	trans	-89.4	-164.1	-175.9	0	0	0	0	0	114.9	Q853 Q884 V885	Q853-G887 PolarHBondContact NE2-O 3.37Å; Q853-G887 VanDerWaalsContact NE2-O 3.07Å; Q884-G887 PolarHBondContact O-N 2.82Å; V885-G887 VanDerWaalsContact C-N 3.32Å
888	E	93.7	Very high	89	Confident	101 Å²	101	28.4 Å²	28.4	47%	0.472	18%	0.184	S	C	.	.			trans	-76.1	148.8	174.5	-52.9	-147.1	130.5	0	0	112	R805 G881	R805-E888 IonicContact CZ-OE1 3.91Å; R805-E888 VanDerWaalsContact CZ-OE1 3.25Å; R805-E888 IonicContact CZ-OE2 3.17Å; R805-E888 IonicContact NH1-OE1 2.83Å; R805-E888 PolarHBondContact NH1-OE1 2.84Å; R805-E888 IonicContact NH1-OE2 2.81Å; R805-E888 PolarHBondContact NH1-OE2 3.28Å; R805-E888 VanDerWaalsContact NH2-CD 3.35Å; R805-E888 IonicContact NH2-OE1 3.85Å; R805-E888 PolarHBondContact NH2-OE1 2.87Å; R805-E888 IonicContact NH2-OE2 3.75Å; G881-E888 PolarHBondContact N-O 3.47Å
889	I	96.7	Very high	88.7	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	154.8	169.9	70	82	0	0	0	112.3	R805 I850 Q853 V854 I878 L879 L880 I891	R805-I889 WeakPolarHBondContact CA-O 3.12Å; R805-I889 HydrophobicContact CB-CD1 4.45Å; R805-I889 WeakPolarHBondContact CD-O 3.44Å; I850-I889 HydrophobicContact CG1-CG2 4.22Å; I850-I889 HydrophobicContact CG2-CG2 4.39Å; Q853-I889 HydrophobicContact CB-CD1 3.84Å; Q853-I889 HydrophobicContact CB-CG1 3.48Å; Q853-I889 VanDerWaalsContact CB-CG1 3.48Å; Q853-I889 HydrophobicContact CG-CG1 4.36Å; V854-I889 HydrophobicContact CG2-CD1 3.75Å; V854-I889 HydrophobicContact CG2-CG1 4.45Å; I878-I889 HydrophobicContact CG2-CB 3.97Å; I878-I889 HydrophobicContact CG2-CD1 4.26Å; I878-I889 HydrophobicContact CG2-CG1 4.35Å; I878-I889 HydrophobicContact CG2-CG2 4.34Å; L879-I889 CarbonylContact O-C 3.57Å; L879-I889 VanDerWaalsContact O-CA 3.23Å; L879-I889 WeakPolarHBondContact O-CA 3.41Å; L880-I889 HydrophobicContact CD2-CG2 3.68Å; I889-I891 HydrophobicContact CD1-CG1 4.4Å
890	K	97.2	Very high	88.5	Confident	26 Å²	26	31.8 Å²	31.8	11%	0.113	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.3	172.8	-71.1	173.2	173.6	-74.3	0	111.2	P804 R805 V807 E825 L879	P804-K890 PolarHBondContact O-NZ 2.95Å; R805-K890 WeakPolarHBondContact O-CA 3.47Å; V807-K890 HydrophobicContact CG2-CB 3.84Å; V807-K890 HydrophobicContact CG2-CD 4.38Å; E825-K890 IonicContact OE1-NZ 3.86Å; E825-K890 PolarHBondContact OE1-NZ 3.09Å; E825-K890 WeakPolarHBondContact OE2-CE 3.36Å; E825-K890 IonicContact OE2-NZ 2.99Å; E825-K890 PolarHBondContact OE2-NZ 2.82Å; L879-K890 PolarHBondContact N-O 2.98Å; L879-K890 PolarHBondContact O-N 2.82Å
891	I	97.6	Very high	88.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	144.5	172.6	-56.3	-175.9	0	0	0	110.1	R805 V807 V854 A857 H870 L873 N877 I889	R805-I891 PolarHBondContact O-N 3.3Å; V807-I891 PolarHBondContact N-O 3.45Å; V854-I891 HydrophobicContact CB-CD1 4.48Å; V854-I891 HydrophobicContact CG1-CD1 4.07Å; V854-I891 HydrophobicContact CG2-CD1 4.48Å; A857-I891 HydrophobicContact CB-CD1 3.57Å; A857-I891 HydrophobicContact CB-CG1 4.23Å; H870-I891 VanDerWaalsContact NE2-CG2 3.26Å; H870-I891 WeakPolarHBondContact NE2-CG2 3.26Å; L873-I891 HydrophobicContact CD1-CD1 3.98Å; L873-I891 HydrophobicContact CD1-CG1 4.5Å; L873-I891 HydrophobicContact CD1-CG2 4.07Å; N877-I891 WeakPolarHBondContact O-CA 3.49Å; I889-I891 HydrophobicContact CD1-CG1 4.4Å
892	T	94.7	Very high	88.5	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.043	24%	0.244	C	C	.	.			trans	-148.1	174.3	-177.6	-165.3	0	0	0	0	112.6	S382 H870 N877 L879	S382-T892 WeakPolarHBondContact OG-CG2 3.46Å; H870-T892 PolarHBondContact NE2-O 2.8Å; N877-T892 WeakPolarHBondContact CB-O 3.3Å; N877-T892 PolarHBondContact O-N 2.84Å; N877-T892 VanDerWaalsContact O-N 3.08Å; L879-T892 HydrophobicContact CD1-CG2 4.22Å; L879-T892 HydrophobicContact CD2-CG2 4.3Å; L879-T892 HydrophobicContact CG-CG2 4.04Å
893	D	89.5	Confident	88.9	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.043	25%	0.253	C	S	.	.			trans	64.2	70.3	177.1	-155.1	32.4	0	0	0	114.2	K771 G895	K771-D893 IonicContact NZ-OD1 3.7Å; K771-D893 PolarHBondContact NZ-OD1 3.18Å; D893-G895 PolarHBondContact O-N 2.86Å
894	F	90.9	Very high	89.4	Confident	1 Å²	1	48 Å²	48	0%	0.004	26%	0.261	C	S	.	.			trans	-77.9	14.6	178.2	-68.3	-92.8	0	0	0	114	E794 H798 L801 I806 L861 H870 L896 S897	E794-F894 HydrophobicContact CG-CB 4.46Å; H798-F894 HydrophobicContact CB-CB 4.45Å; H798-F894 HydrophobicContact CB-CD2 4.28Å; H798-F894 AromaticContact CD2-CD2 3.6Å; H798-F894 AromaticContact CD2-CE2 3.7Å; H798-F894 AromaticContact CE1-CD2 3.78Å; H798-F894 AromaticContact CG-CD2 3.61Å; H798-F894 AromaticContact ND1-CD2 3.72Å; H798-F894 AromaticContact NE2-CD2 3.71Å; H798-F894 AromaticContact NE2-CE2 3.64Å; L801-F894 HydrophobicContact CD1-CD1 3.8Å; L801-F894 HydrophobicContact CD1-CD2 4.21Å; L801-F894 HydrophobicContact CD1-CE1 3.38Å; L801-F894 HydrophobicContact CD1-CE2 3.85Å; L801-F894 HydrophobicContact CD1-CG 4.21Å; L801-F894 HydrophobicContact CD1-CZ 3.42Å; L801-F894 VanDerWaalsContact CD1-CZ 3.42Å; I806-F894 HydrophobicContact CD1-CZ 4.28Å; I806-F894 HydrophobicContact CG2-CE2 3.74Å; I806-F894 HydrophobicContact CG2-CZ 3.72Å; L861-F894 HydrophobicContact CD1-CE1 3.96Å; L861-F894 HydrophobicContact CD2-CE1 4.03Å; H870-F894 AromaticContact CD2-CD1 3.87Å; H870-F894 AromaticContact CD2-CE1 3.54Å; H870-F894 AromaticContact CD2-CZ 4Å; H870-F894 AromaticContact NE2-CE1 3.98Å; F894-L896 PolarHBondContact O-N 3.04Å; F894-S897 WeakPolarHBondContact CA-OG 3.45Å; F894-S897 WeakPolarHBondContact CD1-OG 3.38Å; F894-S897 VanDerWaalsContact O-CB 3.27Å; F894-S897 WeakPolarHBondContact O-CB 3.24Å; F894-S897 PolarHBondContact O-N 3.14Å; F894-S897 PolarHBondContact O-OG 3.16Å
895	G	84	Confident	89.9	Confident	37 Å²	37	44.7 Å²	44.7	38%	0.381	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.7	-170.7	0	0	0	0	0	116.2	E794 D893	E794-G895 WeakPolarHBondContact OE2-CA 3.26Å; D893-G895 PolarHBondContact O-N 2.86Å
896	L	84.9	Confident	90.3	Very high	34 Å²	34	47.3 Å²	47.3	18%	0.178	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	5.1	175.6	-65.7	178.3	0	0	0	113.7	A246 Y871 D872 F894 A918	A246-L896 HydrophobicContact CB-CD2 4.03Å; Y871-L896 HydrophobicContact CD1-CB 4Å; D872-L896 HydrophobicContact CB-CB 4.15Å; D872-L896 HydrophobicContact CB-CD1 3.92Å; F894-L896 PolarHBondContact O-N 3.04Å; L896-A918 HydrophobicContact CD1-CB 4.17Å; L896-A918 HydrophobicContact CD2-CB 3.9Å
897	S	91.3	Very high	90.5	Very high	13 Å²	13	49 Å²	49	9%	0.091	26%	0.262	C	S	.	.			trans	-67.5	155	-176	-60.1	0	0	0	0	112.9	I869 H870 F894	I869-S897 CarbonylContact O-C 3.54Å; I869-S897 WeakPolarHBondContact O-CA 3.45Å; I869-S897 WeakPolarHBondContact O-CB 3.5Å; H870-S897 WeakPolarHBondContact CA-OG 3.33Å; H870-S897 WeakPolarHBondContact O-CA 3.36Å; H870-S897 PolarHBondContact O-OG 3.32Å; F894-S897 WeakPolarHBondContact CA-OG 3.45Å; F894-S897 WeakPolarHBondContact CD1-OG 3.38Å; F894-S897 VanDerWaalsContact O-CB 3.27Å; F894-S897 WeakPolarHBondContact O-CB 3.24Å; F894-S897 PolarHBondContact O-N 3.14Å; F894-S897 PolarHBondContact O-OG 3.16Å
898	K	90.4	Very high	90.3	Very high	18 Å²	18	56.5 Å²	56.5	8%	0.078	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.6	-171.9	-57.2	-177.3	-174.8	-61.8	0	110.8	V868 I869 Y871 M911 T914 I938	V868-K898 WeakPolarHBondContact CA-O 3.41Å; I869-K898 HydrophobicContact CB-CB 4.34Å; I869-K898 PolarHBondContact N-O 3.18Å; I869-K898 PolarHBondContact O-N 2.98Å; Y871-K898 HydrophobicContact CD2-CD 4.43Å; K898-M911 HydrophobicContact CB-CE 4.11Å; K898-M911 HydrophobicContact CB-SD 4.03Å; K898-M911 HydrophobicContact CD-CE 4.39Å; K898-M911 HydrophobicContact CD-SD 4.43Å; K898-T914 PolarHBondContact NZ-OG1 2.75Å; K898-T914 VanDerWaalsContact NZ-OG1 3.16Å; K898-I938 HydrophobicContact CD-CD1 3.63Å
899	L	91.9	Very high	89.9	Confident	59 Å²	59	55.1 Å²	55.1	31%	0.309	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.2	170.9	-60.9	-176.1	0	0	0	109.8	I797 P866 V868 T901	I797-L899 HydrophobicContact CD1-CD1 4.45Å; I797-L899 HydrophobicContact CD1-CD2 4.02Å; I797-L899 HydrophobicContact CD1-CG 3.89Å; I797-L899 HydrophobicContact CG1-CD1 4.16Å; I797-L899 HydrophobicContact CG1-CD2 3.9Å; I797-L899 HydrophobicContact CG1-CG 4Å; I797-L899 HydrophobicContact CG2-CD2 4.22Å; P866-L899 HydrophobicContact CG-CB 4.12Å; P866-L899 HydrophobicContact CG-CD1 4.14Å; P866-L899 HydrophobicContact CG-CD2 4.22Å; P866-L899 HydrophobicContact CG-CG 4.4Å; V868-L899 HydrophobicContact CG1-CD2 4.41Å; V868-L899 HydrophobicContact CG2-CD2 3.79Å; L899-T901 VanDerWaalsContact C-N 3.26Å; L899-T901 HydrophobicContact CB-CG2 4.05Å; L899-T901 PolarHBondContact O-N 2.76Å; L899-T901 VanDerWaalsContact O-N 3.13Å
900	M	91.5	Very high	89.7	Confident	15 Å²	15	55.3 Å²	55.3	7%	0.074	29%	0.293	C	S	.	.			trans	-85.5	68.4	173.1	-67.7	163.6	54.4	0	0	109	P867 I869 Y905 M911	P867-M900 HydrophobicContact CB-CB 4.14Å; P867-M900 HydrophobicContact CB-CE 4.25Å; P867-M900 HydrophobicContact CB-SD 4.01Å; P867-M900 HydrophobicContact CG-CB 4.38Å; P867-M900 PolarHBondContact O-N 3.05Å; I869-M900 HydrophobicContact CD1-CG 3.84Å; I869-M900 HydrophobicContact CD1-SD 3.78Å; I869-M900 HydrophobicContact CG1-CG 3.85Å; I869-M900 HydrophobicContact CG1-SD 3.45Å; I869-M900 WeakPolarHBondContact CG1-SD 3.26Å; M900-Y905 HydrophobicContact CB-CD1 4.41Å; M900-Y905 HydrophobicContact CB-CD2 4.35Å; M900-Y905 HydrophobicContact CB-CG 3.99Å; M900-Y905 HydrophobicContact CE-CD1 3.97Å; M900-Y905 HydrophobicContact CE-CD2 3.89Å; M900-Y905 HydrophobicContact CE-CE1 3.67Å; M900-Y905 HydrophobicContact CE-CE2 3.58Å; M900-Y905 HydrophobicContact CE-CG 4.08Å; M900-Y905 VanDerWaalsContact CE-CZ 3.47Å; M900-Y905 HydrophobicContact CG-CD2 4.09Å; M900-Y905 HydrophobicContact CG-CG 4.25Å; M900-M911 HydrophobicContact CG-SD 4.04Å
901	T	91.2	Very high	89.5	Confident	34 Å²	34	54.5 Å²	54.5	21%	0.209	29%	0.29	C	S	.	.			trans	-75.8	148.4	176.4	53.9	0	0	0	0	111.2	P866 L899 D903 K904 Y905	P866-T901 HydrophobicContact CB-CG2 3.89Å; P866-T901 HydrophobicContact CG-CG2 3.87Å; L899-T901 VanDerWaalsContact C-N 3.26Å; L899-T901 HydrophobicContact CB-CG2 4.05Å; L899-T901 PolarHBondContact O-N 2.76Å; L899-T901 VanDerWaalsContact O-N 3.13Å; T901-D903 WeakPolarHBondContact CB-OD1 3.12Å; T901-D903 PolarHBondContact O-N 2.95Å; T901-D903 VanDerWaalsContact O-N 3.12Å; T901-D903 PolarHBondContact OG1-OD1 3.33Å; T901-K904 PolarHBondContact O-N 3.25Å; T901-K904 PolarHBondContact OG1-NZ 2.81Å; T901-K904 VanDerWaalsContact OG1-NZ 3.17Å; T901-Y905 PolarHBondContact O-N 3.35Å
902	E	88.4	Confident	89.2	Confident	195 Å²	195	57.3 Å²	57.3	91%	0.911	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.6	-173.2	-62.4	176.4	179	0	0	113.5
903	D	89.1	Confident	89	Confident	122 Å²	122	57.2 Å²	57.2	65%	0.652	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.7	175	72.3	-43.6	0	0	0	114.4	T901	T901-D903 WeakPolarHBondContact CB-OD1 3.12Å; T901-D903 PolarHBondContact O-N 2.95Å; T901-D903 VanDerWaalsContact O-N 3.12Å; T901-D903 PolarHBondContact OG1-OD1 3.33Å
904	K	86.9	Confident	88.7	Confident	109 Å²	109	60 Å²	60	47%	0.474	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-20.1	-174.6	-66.7	175.3	-159.8	68.3	0	114.2	T901 M911	T901-K904 PolarHBondContact O-N 3.25Å; T901-K904 PolarHBondContact OG1-NZ 2.81Å; T901-K904 VanDerWaalsContact OG1-NZ 3.17Å; K904-M911 VanDerWaalsContact O-CA 3.27Å; K904-M911 WeakPolarHBondContact O-CA 3.32Å; K904-M911 WeakPolarHBondContact O-CB 3.14Å
905	Y	89.7	Confident	88.2	Confident	56 Å²	56	60.8 Å²	60.8	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.8	-176.1	178.9	-97.9	0	0	0	111.1	M900 T901 P907 M911	M900-Y905 HydrophobicContact CB-CD1 4.41Å; M900-Y905 HydrophobicContact CB-CD2 4.35Å; M900-Y905 HydrophobicContact CB-CG 3.99Å; M900-Y905 HydrophobicContact CE-CD1 3.97Å; M900-Y905 HydrophobicContact CE-CD2 3.89Å; M900-Y905 HydrophobicContact CE-CE1 3.67Å; M900-Y905 HydrophobicContact CE-CE2 3.58Å; M900-Y905 HydrophobicContact CE-CG 4.08Å; M900-Y905 VanDerWaalsContact CE-CZ 3.47Å; M900-Y905 HydrophobicContact CG-CD2 4.09Å; M900-Y905 HydrophobicContact CG-CG 4.25Å; T901-Y905 PolarHBondContact O-N 3.35Å; Y905-P907 HydrophobicContact CE1-CB 4.27Å; Y905-P907 HydrophobicContact CE1-CG 4.09Å; Y905-M911 HydrophobicContact CD2-CB 4.02Å; Y905-M911 HydrophobicContact CD2-CG 4.37Å
906	N	87.9	Confident	88.2	Confident	68 Å²	68	62.7 Å²	62.7	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.3	166.7	172.3	-22	0	0	0	108.3	E908 T909 G910	N906-E908 PolarHBondContact O-N 3.07Å; N906-E908 VanDerWaalsContact O-N 3.16Å; N906-E908 WeakPolarHBondContact OD1-CB 3.5Å; N906-E908 PolarHBondContact OD1-N 2.97Å; N906-T909 PolarHBondContact O-N 2.85Å; N906-G910 PolarHBondContact N-O 2.89Å; N906-G910 VanDerWaalsContact N-O 3.09Å; N906-G910 WeakPolarHBondContact O-CA 3.45Å; N906-G910 PolarHBondContact O-N 2.72Å
907	P	85.6	Confident	88.1	Confident	106 Å²	106	62.6 Å²	62.6	69%	0.688	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.1	179.3	-27.7	35.7	0	0	0	116.1	Y905	Y905-P907 HydrophobicContact CE1-CB 4.27Å; Y905-P907 HydrophobicContact CE1-CG 4.09Å
908	E	83.4	Confident	87.9	Confident	176 Å²	176	62 Å²	62	82%	0.822	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-36	-177.2	-57.4	-178	150.5	0	0	112.8	N906	N906-E908 PolarHBondContact O-N 3.07Å; N906-E908 VanDerWaalsContact O-N 3.16Å; N906-E908 WeakPolarHBondContact OD1-CB 3.5Å; N906-E908 PolarHBondContact OD1-N 2.97Å
909	T	86	Confident	87.8	Confident	73 Å²	73	61.4 Å²	61.4	45%	0.448	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-33.6	-173	58	0	0	0	0	113.3	N906 K937	N906-T909 PolarHBondContact O-N 2.85Å; T909-K937 WeakPolarHBondContact O-CB 3.33Å
910	G	91.1	Very high	87.8	Confident	5 Å²	5	59.1 Å²	59.1	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.1	-164.1	-171	0	0	0	0	0	113.1	N906 I938	N906-G910 PolarHBondContact N-O 2.89Å; N906-G910 VanDerWaalsContact N-O 3.09Å; N906-G910 WeakPolarHBondContact O-CA 3.45Å; N906-G910 PolarHBondContact O-N 2.72Å; G910-I938 CarbonylContact C-O 3.59Å; G910-I938 VanDerWaalsContact CA-O 3.25Å; G910-I938 WeakPolarHBondContact CA-O 3.3Å
911	M	92.7	Very high	88.1	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	161	166.7	67.2	178.6	-59.2	0	0	110.9	I869 K898 M900 K904 Y905 K937 I938	I869-M911 HydrophobicContact CD1-CG 4.5Å; I869-M911 HydrophobicContact CD1-SD 3.85Å; K898-M911 HydrophobicContact CB-CE 4.11Å; K898-M911 HydrophobicContact CB-SD 4.03Å; K898-M911 HydrophobicContact CD-CE 4.39Å; K898-M911 HydrophobicContact CD-SD 4.43Å; M900-M911 HydrophobicContact CG-SD 4.04Å; K904-M911 VanDerWaalsContact O-CA 3.27Å; K904-M911 WeakPolarHBondContact O-CA 3.32Å; K904-M911 WeakPolarHBondContact O-CB 3.14Å; Y905-M911 HydrophobicContact CD2-CB 4.02Å; Y905-M911 HydrophobicContact CD2-CG 4.37Å; M911-K937 CarbonylContact O-C 3.59Å; M911-K937 WeakPolarHBondContact O-CA 3.32Å; M911-I938 HydrophobicContact CG-CG1 3.95Å; M911-I938 PolarHBondContact N-O 2.82Å; M911-I938 WeakPolarHBondContact O-CG1 3.36Å; M911-I938 PolarHBondContact O-N 3.36Å
912	D	92.6	Very high	88.4	Confident	60 Å²	60	58.7 Å²	58.7	32%	0.321	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.8	177.3	-67.4	-37.5	0	0	0	113.2	T914 P935 K937	D912-T914 PolarHBondContact O-N 2.77Å; D912-P935 HydrophobicContact CB-CB 4.49Å; D912-P935 HydrophobicContact CB-CG 4Å; D912-P935 WeakPolarHBondContact OD1-CG 3.46Å; D912-K937 VanDerWaalsContact OD1-CD 3.24Å; D912-K937 WeakPolarHBondContact OD1-CD 3.32Å; D912-K937 VanDerWaalsContact OD1-CE 3.23Å; D912-K937 WeakPolarHBondContact OD1-CE 3.5Å; D912-K937 IonicContact OD1-NZ 3.06Å; D912-K937 PolarHBondContact OD1-NZ 3Å; D912-K937 IonicContact OD2-NZ 3.78Å
913	L	90.7	Very high	88.8	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.269	C	S	.	.			trans	-72.5	80.9	165.9	176.7	45.6	0	0	0	110	Y871 S915 Q916 C928 P936 I938	Y871-L913 HydrophobicContact CE2-CD1 3.71Å; Y871-L913 HydrophobicContact CE2-CD2 4.45Å; Y871-L913 WeakPolarHBondContact OH-CD1 3.37Å; L913-S915 PolarHBondContact O-N 2.71Å; L913-Q916 HydrophobicContact CD2-CB 4.19Å; L913-Q916 HydrophobicContact CD2-CG 4.13Å; L913-Q916 HydrophobicContact CG-CB 4.12Å; L913-C928 HydrophobicContact CD2-CB 4Å; L913-P936 HydrophobicContact CB-CB 4.23Å; L913-P936 VanDerWaalsContact CB-O 3.26Å; L913-P936 WeakPolarHBondContact CB-O 3.37Å; L913-P936 HydrophobicContact CD2-CB 4.38Å; L913-P936 HydrophobicContact CD2-CG 4.39Å; L913-P936 PolarHBondContact N-O 2.8Å; L913-I938 HydrophobicContact CB-CD1 4.1Å; L913-I938 HydrophobicContact CB-CG1 4.32Å; L913-I938 HydrophobicContact CB-CG2 4.32Å; L913-I938 HydrophobicContact CD1-CD1 4.13Å
914	T	82.7	Confident	89.2	Confident	68 Å²	68	44.2 Å²	44.2	42%	0.417	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-9.7	178.2	63.6	0	0	0	0	116.3	V242 K898 D912	V242-T914 WeakPolarHBondContact CB-O 3.49Å; K898-T914 PolarHBondContact NZ-OG1 2.75Å; K898-T914 VanDerWaalsContact NZ-OG1 3.16Å; D912-T914 PolarHBondContact O-N 2.77Å
915	S	81.2	Confident	89.7	Confident	16 Å²	16	39 Å²	39	11%	0.112	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154.2	51.1	-163.8	-48.8	0	0	0	0	110.4	L913 A918	L913-S915 PolarHBondContact O-N 2.71Å; S915-A918 VanDerWaalsContact O-CB 3.31Å; S915-A918 WeakPolarHBondContact O-CB 3.49Å; S915-A918 PolarHBondContact O-N 2.76Å
916	Q	83.1	Confident	90	Very high	78 Å²	78	36.5 Å²	36.5	36%	0.364	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	143.3	177.1	-164.5	172.8	16.9	0	0	110.6	L913 A918 C928 E930	L913-Q916 HydrophobicContact CD2-CB 4.19Å; L913-Q916 HydrophobicContact CD2-CG 4.13Å; L913-Q916 HydrophobicContact CG-CB 4.12Å; Q916-A918 VanDerWaalsContact C-N 3.3Å; Q916-C928 PolarHBondContact NE2-O 2.82Å; Q916-E930 PolarHBondContact NE2-O 3.2Å
917	G	83.8	Confident	90.4	Very high	31 Å²	31	33.3 Å²	33.3	32%	0.32	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-11.5	-171.3	0	0	0	0	0	115	Y921	G917-Y921 WeakPolarHBondContact O-CE1 3.34Å; G917-Y921 PolarHBondContact O-OH 2.87Å
918	A	86.3	Confident	90.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.			trans	-82.3	151.2	166.9	0	0	0	0	0	111.7	P244 Y871 L896 S915 Q916	P244-A918 HydrophobicContact CB-CB 3.93Å; Y871-A918 WeakPolarHBondContact CE1-O 3.36Å; Y871-A918 PolarHBondContact OH-O 3.18Å; L896-A918 HydrophobicContact CD1-CB 4.17Å; L896-A918 HydrophobicContact CD2-CB 3.9Å; S915-A918 VanDerWaalsContact O-CB 3.31Å; S915-A918 WeakPolarHBondContact O-CB 3.49Å; S915-A918 PolarHBondContact O-N 2.76Å; Q916-A918 VanDerWaalsContact C-N 3.3Å
919	G	87.9	Confident	91.4	Very high	7 Å²	7	21.1 Å²	21.1	7%	0.072	12%	0.123	C	C	.	.	S	Bend	trans	104.4	179.3	177.9	0	0	0	0	0	113.5
920	T	92.7	Very high	91.6	Very high	11 Å²	11	21.8 Å²	21.8	7%	0.067	12%	0.121	C	C	.	.			trans	-104.3	100.2	-173	-45.7	0	0	0	0	111.2	D872 K874 W922 Y923	D872-T920 WeakPolarHBondContact OD1-CB 3.23Å; D872-T920 PolarHBondContact OD1-N 3.46Å; D872-T920 PolarHBondContact OD1-OG1 3.2Å; K874-T920 HydrophobicContact CD-CG2 4.16Å; K874-T920 WeakPolarHBondContact CD-OG1 3.35Å; K874-T920 PolarHBondContact NZ-OG1 3.49Å; T920-W922 HydrophobicContact CG2-CE3 3.95Å; T920-W922 HydrophobicContact CG2-CZ3 3.97Å; T920-W922 PolarHBondContact O-N 3.21Å; T920-W922 VanDerWaalsContact O-N 3.12Å; T920-Y923 HydrophobicContact CG2-CD2 3.73Å; T920-Y923 HydrophobicContact CG2-CE2 3.72Å; T920-Y923 WeakPolarHBondContact O-CD2 3.42Å; T920-Y923 PolarHBondContact O-N 3.19Å
921	Y	96.6	Very high	91.3	Very high	26 Å²	26	27.5 Å²	27.5	10%	0.102	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-54.6	-40.8	-152.4	-70.7	3.7	0	0	0	116.8	G917 Y923 L924 F929 Q967 I970 L971	G917-Y921 WeakPolarHBondContact O-CE1 3.34Å; G917-Y921 PolarHBondContact O-OH 2.87Å; Y921-Y923 PolarHBondContact O-N 2.97Å; Y921-Y923 VanDerWaalsContact O-N 3.16Å; Y921-L924 HydrophobicContact CD1-CD1 4.14Å; Y921-L924 PolarHBondContact O-N 2.92Å; Y921-L924 VanDerWaalsContact O-N 3.1Å; Y921-F929 HydrophobicContact CD1-CE1 4.13Å; Y921-F929 HydrophobicContact CD1-CZ 4.21Å; Y921-F929 AromaticContact CD2-CE1 3.94Å; Y921-F929 HydrophobicContact CD2-CE1 3.94Å; Y921-F929 HydrophobicContact CD2-CZ 4.43Å; Y921-F929 HydrophobicContact CE1-CE1 4.49Å; Y921-F929 HydrophobicContact CE2-CE1 4.33Å; Y921-F929 AromaticContact CG-CE1 3.83Å; Y921-F929 HydrophobicContact CG-CE1 3.83Å; Y921-F929 AromaticContact CG-CZ 3.91Å; Y921-F929 HydrophobicContact CG-CZ 3.91Å; Y921-Q967 HydrophobicContact CD2-CB 3.74Å; Y921-Q967 HydrophobicContact CD2-CG 4.27Å; Y921-Q967 WeakPolarHBondContact CD2-O 3.2Å; Y921-Q967 HydrophobicContact CE2-CB 3.98Å; Y921-Q967 WeakPolarHBondContact CE2-O 3.43Å; Y921-Q967 HydrophobicContact CG-CB 4.27Å; Y921-Q967 HydrophobicContact CG-CG 4.31Å; Y921-I970 HydrophobicContact CD2-CG2 4.29Å; Y921-L971 HydrophobicContact CE2-CB 4.17Å; Y921-L971 HydrophobicContact CE2-CD1 4.29Å; Y921-L971 HydrophobicContact CE2-CD2 4.49Å
922	W	97.2	Very high	91	Very high	13 Å²	13	30.5 Å²	30.5	5%	0.049	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58	-28.7	177.9	-50.3	-107	0	0	0	114.3	Q387 T920 K959 G962 M965 Q967 I970	Q387-W922 VanDerWaalsContact CD-CH2 3.48Å; Q387-W922 VanDerWaalsContact CD-CZ3 3.41Å; T920-W922 HydrophobicContact CG2-CE3 3.95Å; T920-W922 HydrophobicContact CG2-CZ3 3.97Å; T920-W922 PolarHBondContact O-N 3.21Å; T920-W922 VanDerWaalsContact O-N 3.12Å; W922-K959 HydrophobicContact CB-CD 3.62Å; W922-K959 HydrophobicContact CD2-CD 4.27Å; W922-K959 HydrophobicContact CG-CD 3.55Å; W922-K959 VanDerWaalsContact NE1-CE 3.34Å; W922-G962 PolarHBondContact NE1-O 3.01Å; W922-M965 WeakPolarHBondContact CZ2-O 3.37Å; W922-Q967 HydrophobicContact CH2-CG 3.44Å; W922-Q967 VanDerWaalsContact CH2-CG 3.44Å; W922-Q967 HydrophobicContact CZ3-CG 3.46Å; W922-Q967 VanDerWaalsContact CZ3-CG 3.46Å; W922-I970 HydrophobicContact CD2-CD1 3.83Å; W922-I970 VanDerWaalsContact CE2-CD1 3.41Å; W922-I970 HydrophobicContact CG-CD1 4.05Å; W922-I970 HydrophobicContact CH2-CD1 4.44Å; W922-I970 HydrophobicContact CZ2-CD1 3.8Å
923	Y	98	Very high	90.7	Very high	10 Å²	10	39.2 Å²	39.2	4%	0.039	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-96.2	-3.5	-177.8	-45.6	-82.7	0	0	0	112.2	K874 P875 T920 Y921 S946 V949 I950 Q953 K959	K874-Y923 HydrophobicContact CB-CD1 4.47Å; K874-Y923 HydrophobicContact CB-CD2 3.71Å; K874-Y923 HydrophobicContact CB-CE2 3.75Å; K874-Y923 HydrophobicContact CB-CG 4.09Å; P875-Y923 VanDerWaalsContact CD-CE1 3.45Å; P875-Y923 VanDerWaalsContact CD-CZ 3.45Å; P875-Y923 WeakPolarHBondContact CD-OH 3.21Å; P875-Y923 HydrophobicContact CG-CE1 4.08Å; T920-Y923 HydrophobicContact CG2-CD2 3.73Å; T920-Y923 HydrophobicContact CG2-CE2 3.72Å; T920-Y923 WeakPolarHBondContact O-CD2 3.42Å; T920-Y923 PolarHBondContact O-N 3.19Å; Y921-Y923 PolarHBondContact O-N 2.97Å; Y921-Y923 VanDerWaalsContact O-N 3.16Å; Y923-S946 WeakPolarHBondContact O-CA 3.27Å; Y923-S946 WeakPolarHBondContact O-CB 3.34Å; Y923-S946 PolarHBondContact O-OG 3.4Å; Y923-V949 HydrophobicContact CD1-CB 4.14Å; Y923-V949 HydrophobicContact CD1-CG1 3.42Å; Y923-V949 VanDerWaalsContact CD1-CG1 3.42Å; Y923-V949 HydrophobicContact CE1-CG1 3.88Å; Y923-V949 HydrophobicContact CG-CG1 4.3Å; Y923-I950 HydrophobicContact CD1-CG1 4.05Å; Y923-I950 HydrophobicContact CE1-CG1 4.28Å; Y923-Q953 PolarHBondContact OH-OE1 3.3Å; Y923-Q953 VanDerWaalsContact OH-OE1 3.1Å; Y923-K959 HydrophobicContact CE1-CD 4.18Å
924	L	97.3	Very high	90.5	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	25%	0.245	C	C	.	.	S	Bend	trans	-87.9	145.3	172.1	-65.4	178.1	0	0	0	110.3	Y871 Y921 C928 F929 W945	Y871-L924 HydrophobicContact CE1-CD2 4.07Å; Y871-L924 HydrophobicContact CE2-CD2 4.29Å; Y871-L924 VanDerWaalsContact O-CD2 3.3Å; Y871-L924 WeakPolarHBondContact O-CD2 3.42Å; Y921-L924 HydrophobicContact CD1-CD1 4.14Å; Y921-L924 PolarHBondContact O-N 2.92Å; Y921-L924 VanDerWaalsContact O-N 3.1Å; L924-C928 HydrophobicContact CB-CB 4.35Å; L924-F929 HydrophobicContact CB-CE2 3.76Å; L924-F929 HydrophobicContact CB-CZ 3.98Å; L924-F929 HydrophobicContact CD1-CZ 4.25Å; L924-W945 VanDerWaalsContact C-CD1 3.45Å; L924-W945 PolarHBondContact O-NE1 2.96Å
925	P	97.2	Very high	90.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.			trans	-82.1	168.3	179.9	36.4	-40.4	0	0	0	113.3	E927 C928 F929 V942 W945	P925-E927 VanDerWaalsContact C-N 3.28Å; P925-E927 WeakPolarHBondContact CB-OE2 3.26Å; P925-E927 VanDerWaalsContact CG-CD 3.44Å; P925-E927 HydrophobicContact CG-CG 4.04Å; P925-E927 VanDerWaalsContact CG-OE1 3.3Å; P925-E927 WeakPolarHBondContact CG-OE1 3.3Å; P925-E927 PolarHBondContact O-N 3.49Å; P925-C928 PolarHBondContact O-N 3.05Å; P925-C928 VanDerWaalsContact O-N 3.14Å; P925-F929 VanDerWaalsContact O-CD2 3.29Å; P925-F929 WeakPolarHBondContact O-CD2 3.32Å; P925-V942 HydrophobicContact CG-CB 3.93Å; P925-V942 HydrophobicContact CG-CG1 3.79Å; P925-W945 HydrophobicContact CB-CB 3.72Å; P925-W945 HydrophobicContact CB-CD2 3.8Å; P925-W945 HydrophobicContact CB-CE3 4.23Å; P925-W945 HydrophobicContact CB-CG 3.57Å; P925-W945 HydrophobicContact CG-CB 4.46Å
926	P	96.6	Very high	91.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.013	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.6	-39.5	-178.9	-24.8	34.2	0	0	0	113.6	C928 F929 E930 W945 I976 L977 Y1004	P926-C928 PolarHBondContact O-N 3.11Å; P926-C928 VanDerWaalsContact O-N 3.17Å; P926-F929 PolarHBondContact O-N 3.01Å; P926-E930 PolarHBondContact O-N 3.11Å; P926-W945 HydrophobicContact CG-CH2 3.78Å; P926-W945 HydrophobicContact CG-CZ2 4.24Å; P926-W945 HydrophobicContact CG-CZ3 4.04Å; P926-I976 HydrophobicContact CG-CG2 4.2Å; P926-L977 WeakPolarHBondContact O-CD2 3.3Å; P926-Y1004 HydrophobicContact CB-CD2 4.06Å; P926-Y1004 HydrophobicContact CB-CE2 3.65Å; P926-Y1004 HydrophobicContact CG-CD2 3.56Å; P926-Y1004 HydrophobicContact CG-CE2 3.66Å; P926-Y1004 HydrophobicContact CG-CG 4.31Å
927	E	95.3	Very high	91.8	Very high	2 Å²	2	43 Å²	43	1%	0.009	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.5	-26.1	-178.3	63.1	-92	-157.5	0	0	113.9	P925 F929 E930 P936 I938 K1006 R1009	P925-E927 VanDerWaalsContact C-N 3.28Å; P925-E927 WeakPolarHBondContact CB-OE2 3.26Å; P925-E927 VanDerWaalsContact CG-CD 3.44Å; P925-E927 HydrophobicContact CG-CG 4.04Å; P925-E927 VanDerWaalsContact CG-OE1 3.3Å; P925-E927 WeakPolarHBondContact CG-OE1 3.3Å; P925-E927 PolarHBondContact O-N 3.49Å; E927-F929 PolarHBondContact O-N 3.5Å; E927-E930 WeakPolarHBondContact CA-OE1 3.34Å; E927-E930 PolarHBondContact O-N 2.89Å; E927-P936 VanDerWaalsContact O-CB 3.26Å; E927-P936 WeakPolarHBondContact O-CB 3.49Å; E927-I938 HydrophobicContact CG-CG2 4.42Å; E927-K1006 HydrophobicContact CB-CD 3.97Å; E927-K1006 HydrophobicContact CG-CD 3.98Å; E927-R1009 IonicContact OE1-CZ 3.91Å; E927-R1009 IonicContact OE1-NH1 3.35Å; E927-R1009 PolarHBondContact OE1-NH1 2.91Å; E927-R1009 IonicContact OE1-NH2 3.97Å; E927-R1009 PolarHBondContact OE1-NH2 3.44Å; E927-R1009 IonicContact OE2-CZ 2.98Å; E927-R1009 IonicContact OE2-NH1 2.71Å; E927-R1009 IonicContact OE2-NH2 3.13Å; E927-R1009 PolarHBondContact OE2-NH2 3.24Å
928	C	95.5	Very high	92.3	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.027	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-70.1	-15.3	176.2	-67.5	0	0	0	0	113.2	L913 Q916 L924 P925 P926	L913-C928 HydrophobicContact CD2-CB 4Å; Q916-C928 PolarHBondContact NE2-O 2.82Å; L924-C928 HydrophobicContact CB-CB 4.35Å; P925-C928 PolarHBondContact O-N 3.05Å; P925-C928 VanDerWaalsContact O-N 3.14Å; P926-C928 PolarHBondContact O-N 3.11Å; P926-C928 VanDerWaalsContact O-N 3.17Å
929	F	94.4	Very high	92.7	Very high	21 Å²	21	42.5 Å²	42.5	9%	0.092	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-105.5	0.7	179.2	-57.3	-84.7	0	0	0	112.8	Y921 L924 P925 P926 E927 T931 L971 I976 L977	Y921-F929 HydrophobicContact CD1-CE1 4.13Å; Y921-F929 HydrophobicContact CD1-CZ 4.21Å; Y921-F929 AromaticContact CD2-CE1 3.94Å; Y921-F929 HydrophobicContact CD2-CE1 3.94Å; Y921-F929 HydrophobicContact CD2-CZ 4.43Å; Y921-F929 HydrophobicContact CE1-CE1 4.49Å; Y921-F929 HydrophobicContact CE2-CE1 4.33Å; Y921-F929 AromaticContact CG-CE1 3.83Å; Y921-F929 HydrophobicContact CG-CE1 3.83Å; Y921-F929 AromaticContact CG-CZ 3.91Å; Y921-F929 HydrophobicContact CG-CZ 3.91Å; L924-F929 HydrophobicContact CB-CE2 3.76Å; L924-F929 HydrophobicContact CB-CZ 3.98Å; L924-F929 HydrophobicContact CD1-CZ 4.25Å; P925-F929 VanDerWaalsContact O-CD2 3.29Å; P925-F929 WeakPolarHBondContact O-CD2 3.32Å; P926-F929 PolarHBondContact O-N 3.01Å; E927-F929 PolarHBondContact O-N 3.5Å; F929-T931 PolarHBondContact O-N 3.02Å; F929-L971 HydrophobicContact CD1-CD1 4.09Å; F929-L971 HydrophobicContact CE1-CD1 4.48Å; F929-I976 HydrophobicContact CD2-CB 3.77Å; F929-I976 HydrophobicContact CD2-CG1 4.27Å; F929-I976 HydrophobicContact CD2-CG2 3.89Å; F929-I976 HydrophobicContact CE2-CB 3.75Å; F929-I976 HydrophobicContact CE2-CG1 3.77Å; F929-I976 HydrophobicContact CE2-CG2 3.79Å; F929-I976 HydrophobicContact CZ-CB 4.49Å; F929-I976 HydrophobicContact CZ-CG1 4.08Å; F929-L977 HydrophobicContact CB-CD1 4.24Å; F929-L977 HydrophobicContact CB-CD2 3.89Å; F929-L977 HydrophobicContact CB-CG 3.84Å
930	E	90.9	Very high	93.1	Very high	87 Å²	87	42.6 Å²	42.6	41%	0.407	22%	0.221	S	C	.	.			trans	-56.1	134.9	172.4	-75.9	168.8	-166.1	0	0	109.8	Q916 P926 E927 P936	Q916-E930 PolarHBondContact NE2-O 3.2Å; P926-E930 PolarHBondContact O-N 3.11Å; E927-E930 WeakPolarHBondContact CA-OE1 3.34Å; E927-E930 PolarHBondContact O-N 2.89Å; E930-P936 HydrophobicContact CB-CG 4.45Å; E930-P936 WeakPolarHBondContact O-CG 3.48Å
931	T	85.8	Confident	93.3	Very high	126 Å²	126	43.6 Å²	43.6	77%	0.773	23%	0.225	S	C	*	.			trans	-119.9	131.6	178	44.9	0	0	0	0	109.3	F929	F929-T931 PolarHBondContact O-N 3.02Å
932	G	84.9	Confident	93.4	Very high	70 Å²	70	42.4 Å²	42.4	72%	0.722	22%	0.22	S	C	*	.	S	Bend	trans	-168.5	-171.5	-171.2	0	0	0	0	0	111.9
933	R	86.1	Confident	93.4	Very high	243 Å²	243	41.8 Å²	41.8	92%	0.917	22%	0.218	S	C	*	.	S	Bend	trans	-78.1	-36.1	173.6	-64.6	-176.5	-179.3	-175.4	0	112.2
934	E	87.9	Confident	93.4	Very high	132 Å²	132	41.3 Å²	41.3	62%	0.617	22%	0.216	S	C	*	.	S	Bend	trans	-90.7	148.1	174	-59.2	-51.6	133.6	0	0	110.4
935	P	88.8	Confident	93.5	Very high	41 Å²	41	41.1 Å²	41.1	27%	0.266	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-65.2	151.7	172.8	29.3	-36.1	0	0	0	111.2	D912 K937	D912-P935 HydrophobicContact CB-CB 4.49Å; D912-P935 HydrophobicContact CB-CG 4Å; D912-P935 WeakPolarHBondContact OD1-CG 3.46Å; P935-K937 PolarHBondContact O-N 3.32Å
936	P	91.3	Very high	93.5	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.045	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62	133.4	179.5	-22.6	32	0	0	0	112.8	L913 E927 E930	L913-P936 HydrophobicContact CB-CB 4.23Å; L913-P936 VanDerWaalsContact CB-O 3.26Å; L913-P936 WeakPolarHBondContact CB-O 3.37Å; L913-P936 HydrophobicContact CD2-CB 4.38Å; L913-P936 HydrophobicContact CD2-CG 4.39Å; L913-P936 PolarHBondContact N-O 2.8Å; E927-P936 VanDerWaalsContact O-CB 3.26Å; E927-P936 WeakPolarHBondContact O-CB 3.49Å; E930-P936 HydrophobicContact CB-CG 4.45Å; E930-P936 WeakPolarHBondContact O-CG 3.48Å
937	K	93.4	Very high	93.6	Very high	67 Å²	67	41 Å²	41	29%	0.291	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.2	176.1	-52.7	-70.6	-178.5	178.1	0	110.8	T909 M911 D912 P935 K1006	T909-K937 WeakPolarHBondContact O-CB 3.33Å; M911-K937 CarbonylContact O-C 3.59Å; M911-K937 WeakPolarHBondContact O-CA 3.32Å; D912-K937 VanDerWaalsContact OD1-CD 3.24Å; D912-K937 WeakPolarHBondContact OD1-CD 3.32Å; D912-K937 VanDerWaalsContact OD1-CE 3.23Å; D912-K937 WeakPolarHBondContact OD1-CE 3.5Å; D912-K937 IonicContact OD1-NZ 3.06Å; D912-K937 PolarHBondContact OD1-NZ 3Å; D912-K937 IonicContact OD2-NZ 3.78Å; P935-K937 PolarHBondContact O-N 3.32Å; K937-K1006 PolarHBondContact O-NZ 2.63Å
938	I	94.9	Very high	93.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	163.6	-175.2	56.6	167.5	0	0	0	112.6	Y871 K898 G910 M911 L913 E927 V942	Y871-I938 HydrophobicContact CD2-CD1 4.09Å; Y871-I938 HydrophobicContact CE2-CD1 4.04Å; K898-I938 HydrophobicContact CD-CD1 3.63Å; G910-I938 CarbonylContact C-O 3.59Å; G910-I938 VanDerWaalsContact CA-O 3.25Å; G910-I938 WeakPolarHBondContact CA-O 3.3Å; M911-I938 HydrophobicContact CG-CG1 3.95Å; M911-I938 PolarHBondContact N-O 2.82Å; M911-I938 WeakPolarHBondContact O-CG1 3.36Å; M911-I938 PolarHBondContact O-N 3.36Å; L913-I938 HydrophobicContact CB-CD1 4.1Å; L913-I938 HydrophobicContact CB-CG1 4.32Å; L913-I938 HydrophobicContact CB-CG2 4.32Å; L913-I938 HydrophobicContact CD1-CD1 4.13Å; E927-I938 HydrophobicContact CG-CG2 4.42Å; I938-V942 HydrophobicContact CB-CG1 3.98Å; I938-V942 HydrophobicContact CG2-CG1 4.01Å
939	S	95.2	Very high	93.9	Very high	17 Å²	17	40.8 Å²	40.8	12%	0.119	21%	0.213	C	C	.	.			trans	-149.4	-179.6	175.1	64.4	0	0	0	0	109.4	K941 V942	S939-K941 PolarHBondContact O-N 2.8Å; S939-V942 WeakPolarHBondContact O-CG1 3.48Å; S939-V942 WeakPolarHBondContact O-CG2 3.21Å; S939-V942 PolarHBondContact O-N 3.29Å
940	S	95.5	Very high	94.1	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.063	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10	177.1	57.2	0	0	0	0	114.8	N862 V942 D943	N862-S940 WeakPolarHBondContact OD1-CB 3.41Å; N862-S940 PolarHBondContact OD1-OG 3.15Å; S940-V942 PolarHBondContact O-N 3.11Å; S940-V942 VanDerWaalsContact O-N 3.11Å; S940-D943 PolarHBondContact O-N 3.44Å; S940-D943 VanDerWaalsContact O-N 3.12Å
941	K	97.3	Very high	94.5	Very high	33 Å²	33	35.7 Å²	35.7	14%	0.143	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-11.5	167.8	-62	-167.5	179.7	-165.9	0	114.2	S939 K1006 D1007 R1009 D1011	S939-K941 PolarHBondContact O-N 2.8Å; K941-K1006 WeakPolarHBondContact CD-O 3.38Å; K941-K1006 PolarHBondContact NZ-O 3.19Å; K941-D1007 PolarHBondContact NZ-O 3.25Å; K941-R1009 WeakPolarHBondContact CD-O 3.4Å; K941-R1009 VanDerWaalsContact CE-O 3.23Å; K941-R1009 WeakPolarHBondContact CE-O 3.43Å; K941-R1009 PolarHBondContact NZ-O 2.93Å; K941-R1009 WeakPolarHBondContact O-CD 3.46Å; K941-R1009 PolarHBondContact O-NH1 2.95Å; K941-D1011 HydrophobicContact CG-CB 4.29Å
942	V	97.4	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.6	-43.3	169.7	-55	0	0	0	0	111.8	I869 Y871 P925 I938 S939 S940 I944 W945 S946	I869-V942 HydrophobicContact CG2-CG2 3.39Å; Y871-V942 HydrophobicContact CD2-CG2 4.21Å; P925-V942 HydrophobicContact CG-CB 3.93Å; P925-V942 HydrophobicContact CG-CG1 3.79Å; I938-V942 HydrophobicContact CB-CG1 3.98Å; I938-V942 HydrophobicContact CG2-CG1 4.01Å; S939-V942 WeakPolarHBondContact O-CG1 3.48Å; S939-V942 WeakPolarHBondContact O-CG2 3.21Å; S939-V942 PolarHBondContact O-N 3.29Å; S940-V942 PolarHBondContact O-N 3.11Å; S940-V942 VanDerWaalsContact O-N 3.11Å; V942-I944 PolarHBondContact O-N 3.13Å; V942-W945 WeakPolarHBondContact O-CB 3.19Å; V942-W945 PolarHBondContact O-N 2.87Å; V942-W945 VanDerWaalsContact O-N 3.15Å; V942-S946 PolarHBondContact O-N 2.89Å; V942-S946 PolarHBondContact O-OG 3.43Å
943	D	98.1	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.5	-27.7	-179.9	-61.7	-32	0	0	0	111.2	L858 H870 Y871 S940 S946 V947	L858-D943 HydrophobicContact CD1-CB 3.95Å; L858-D943 HydrophobicContact CD2-CB 3.92Å; H870-D943 PolarHBondContact N-OD1 2.85Å; H870-D943 PolarHBondContact N-OD2 3.11Å; Y871-D943 WeakPolarHBondContact CA-OD1 3.37Å; Y871-D943 PolarHBondContact N-OD1 3.48Å; S940-D943 PolarHBondContact O-N 3.44Å; S940-D943 VanDerWaalsContact O-N 3.12Å; D943-S946 WeakPolarHBondContact O-CB 3.49Å; D943-S946 PolarHBondContact O-N 3.43Å; D943-V947 WeakPolarHBondContact O-CG2 3.4Å; D943-V947 PolarHBondContact O-N 3.32Å
944	I	98.4	Very high	96.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.6	-38.7	175.1	-63.6	-43	0	0	0	112.6	L858 V942 V947 G948 C1001 R1009 P1010 V1012 L1015	L858-I944 HydrophobicContact CD1-CD1 4.39Å; V942-I944 PolarHBondContact O-N 3.13Å; I944-V947 PolarHBondContact O-N 3.15Å; I944-G948 PolarHBondContact O-N 2.82Å; I944-G948 VanDerWaalsContact O-N 3.13Å; I944-C1001 HydrophobicContact CG2-CB 4.33Å; I944-C1001 WeakPolarHBondContact O-CB 3.19Å; I944-R1009 HydrophobicContact CG2-CG 4.09Å; I944-P1010 HydrophobicContact CG2-CG 4.28Å; I944-V1012 HydrophobicContact CD1-CB 4.37Å; I944-V1012 HydrophobicContact CD1-CG2 3.75Å; I944-V1012 HydrophobicContact CG1-CG2 4.03Å; I944-L1015 HydrophobicContact CD1-CB 4.33Å; I944-L1015 HydrophobicContact CD1-CD2 3.76Å; I944-L1015 HydrophobicContact CG2-CD2 4.24Å
945	W	98.5	Very high	96.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.6	-43.9	171.3	176.7	-83.8	0	0	0	110.6	L924 P925 P926 V942 V947 G948 V949 F961 I976 A979 C1002	L924-W945 VanDerWaalsContact C-CD1 3.45Å; L924-W945 PolarHBondContact O-NE1 2.96Å; P925-W945 HydrophobicContact CB-CB 3.72Å; P925-W945 HydrophobicContact CB-CD2 3.8Å; P925-W945 HydrophobicContact CB-CE3 4.23Å; P925-W945 HydrophobicContact CB-CG 3.57Å; P925-W945 HydrophobicContact CG-CB 4.46Å; P926-W945 HydrophobicContact CG-CH2 3.78Å; P926-W945 HydrophobicContact CG-CZ2 4.24Å; P926-W945 HydrophobicContact CG-CZ3 4.04Å; V942-W945 WeakPolarHBondContact O-CB 3.19Å; V942-W945 PolarHBondContact O-N 2.87Å; V942-W945 VanDerWaalsContact O-N 3.15Å; W945-V947 VanDerWaalsContact C-N 3.32Å; W945-V947 PolarHBondContact O-N 3.32Å; W945-G948 PolarHBondContact O-N 2.9Å; W945-G948 VanDerWaalsContact O-N 3.09Å; W945-V949 WeakPolarHBondContact O-CG2 3.33Å; W945-V949 PolarHBondContact O-N 2.8Å; W945-F961 HydrophobicContact CH2-CD2 4.37Å; W945-F961 AromaticContact CH2-CE2 3.6Å; W945-F961 HydrophobicContact CH2-CE2 3.6Å; W945-F961 HydrophobicContact CH2-CZ 4.09Å; W945-F961 AromaticContact CZ2-CD2 3.73Å; W945-F961 HydrophobicContact CZ2-CD2 3.73Å; W945-F961 AromaticContact CZ2-CE2 3.33Å; W945-F961 HydrophobicContact CZ2-CE2 3.33Å; W945-F961 HydrophobicContact CZ2-CZ 4.25Å; W945-I976 HydrophobicContact CZ2-CG2 4.17Å; W945-A979 HydrophobicContact CH2-CB 4.02Å; W945-A979 HydrophobicContact CZ2-CB 4.22Å; W945-C1002 HydrophobicContact CE3-CB 4.04Å; W945-C1002 HydrophobicContact CZ3-CB 4.02Å; W945-C1002 VanDerWaalsContact CZ3-O 3.29Å; W945-C1002 WeakPolarHBondContact CZ3-O 3.25Å
946	S	98.5	Very high	97	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	4%	0.041	C	C	.	.	H	α-helix	trans	-56.8	-43.9	175.4	-44.8	0	0	0	0	111.9	L873 Y923 V942 D943 G948 V949 I950	L873-S946 WeakPolarHBondContact O-CB 3.32Å; Y923-S946 WeakPolarHBondContact O-CA 3.27Å; Y923-S946 WeakPolarHBondContact O-CB 3.34Å; Y923-S946 PolarHBondContact O-OG 3.4Å; V942-S946 PolarHBondContact O-N 2.89Å; V942-S946 PolarHBondContact O-OG 3.43Å; D943-S946 WeakPolarHBondContact O-CB 3.49Å; D943-S946 PolarHBondContact O-N 3.43Å; S946-G948 PolarHBondContact O-N 2.81Å; S946-V949 PolarHBondContact O-N 2.79Å; S946-I950 WeakPolarHBondContact O-CB 3.44Å; S946-I950 WeakPolarHBondContact O-CD1 3.17Å; S946-I950 WeakPolarHBondContact O-CG1 3.24Å; S946-I950 PolarHBondContact O-N 2.84Å
947	V	98.7	Very high	97.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56.7	-45.6	173.4	164.2	0	0	0	0	112	I851 V854 V855 L858 L873 D943 I944 W945 I950 F951 F997 L1015	I851-V947 HydrophobicContact CD1-CG1 4.36Å; I851-V947 HydrophobicContact CG2-CG1 3.93Å; V854-V947 HydrophobicContact CG1-CG2 3.87Å; V855-V947 HydrophobicContact CG2-CG1 4.16Å; V855-V947 HydrophobicContact CG2-CG2 4.5Å; L858-V947 HydrophobicContact CD1-CG2 3.58Å; L873-V947 HydrophobicContact CD2-CG2 3.87Å; D943-V947 WeakPolarHBondContact O-CG2 3.4Å; D943-V947 PolarHBondContact O-N 3.32Å; I944-V947 PolarHBondContact O-N 3.15Å; W945-V947 VanDerWaalsContact C-N 3.32Å; W945-V947 PolarHBondContact O-N 3.32Å; V947-I950 PolarHBondContact O-N 2.88Å; V947-F951 WeakPolarHBondContact O-CB 3.44Å; V947-F951 PolarHBondContact O-N 2.88Å; V947-F997 HydrophobicContact CG1-CE1 4.37Å; V947-F997 HydrophobicContact CG1-CZ 4.45Å; V947-L1015 HydrophobicContact CG1-CD2 4.18Å
948	G	98.4	Very high	97.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.3	-43.5	177.4	0	0	0	0	0	113.2	I944 W945 S946 F951 F952 C1001	I944-G948 PolarHBondContact O-N 2.82Å; I944-G948 VanDerWaalsContact O-N 3.13Å; W945-G948 PolarHBondContact O-N 2.9Å; W945-G948 VanDerWaalsContact O-N 3.09Å; S946-G948 PolarHBondContact O-N 2.81Å; G948-F951 PolarHBondContact O-N 2.53Å; G948-F952 WeakPolarHBondContact O-CB 3.21Å; G948-F952 PolarHBondContact O-N 3.26Å; G948-C1001 VanDerWaalsContact CA-CB 3.48Å
949	V	98.5	Very high	97.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.5	-44.2	176.3	174	0	0	0	0	111.6	Y923 W945 S946 F952 Q953 P960	Y923-V949 HydrophobicContact CD1-CB 4.14Å; Y923-V949 HydrophobicContact CD1-CG1 3.42Å; Y923-V949 VanDerWaalsContact CD1-CG1 3.42Å; Y923-V949 HydrophobicContact CE1-CG1 3.88Å; Y923-V949 HydrophobicContact CG-CG1 4.3Å; W945-V949 WeakPolarHBondContact O-CG2 3.33Å; W945-V949 PolarHBondContact O-N 2.8Å; S946-V949 PolarHBondContact O-N 2.79Å; V949-F952 PolarHBondContact O-N 2.83Å; V949-Q953 WeakPolarHBondContact O-CB 3.41Å; V949-Q953 PolarHBondContact O-N 2.79Å; V949-P960 HydrophobicContact CB-CG 4.46Å; V949-P960 HydrophobicContact CG1-CG 4.26Å; V949-P960 HydrophobicContact CG2-CG 4.08Å
950	I	98.5	Very high	97.2	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-61.5	-48.3	177.1	-69.7	162.4	0	0	0	110	L832 I851 L873 P875 I878 Y923 S946 V947 F952 Q953 C954	L832-I950 HydrophobicContact CD2-CG2 4.17Å; I851-I950 HydrophobicContact CD1-CG2 4.14Å; L873-I950 HydrophobicContact CD2-CD1 4.22Å; L873-I950 HydrophobicContact CG-CD1 3.85Å; P875-I950 HydrophobicContact CG-CG1 4.14Å; P875-I950 HydrophobicContact CG-CG2 4.43Å; I878-I950 HydrophobicContact CD1-CD1 4.07Å; I878-I950 HydrophobicContact CD1-CG2 4.25Å; Y923-I950 HydrophobicContact CD1-CG1 4.05Å; Y923-I950 HydrophobicContact CE1-CG1 4.28Å; S946-I950 WeakPolarHBondContact O-CB 3.44Å; S946-I950 WeakPolarHBondContact O-CD1 3.17Å; S946-I950 WeakPolarHBondContact O-CG1 3.24Å; S946-I950 PolarHBondContact O-N 2.84Å; V947-I950 PolarHBondContact O-N 2.88Å; I950-F952 PolarHBondContact O-N 3.05Å; I950-Q953 PolarHBondContact O-N 3.46Å; I950-Q953 VanDerWaalsContact O-N 3.14Å; I950-C954 PolarHBondContact O-N 3.39Å; I950-C954 PolarHBondContact O-SG 2.97Å
951	F	98.4	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64	-42.5	-179.2	-171.9	-143.2	0	0	0	112	A847 I851 V947 G948 Q953 C954 L955 A994 F997 I998 Y1020	A847-F951 HydrophobicContact CB-CD2 4.02Å; A847-F951 HydrophobicContact CB-CE2 3.72Å; I851-F951 HydrophobicContact CD1-CB 3.77Å; I851-F951 HydrophobicContact CD1-CD2 4.46Å; I851-F951 HydrophobicContact CD1-CG 4.36Å; I851-F951 HydrophobicContact CG1-CB 3.78Å; I851-F951 HydrophobicContact CG1-CD2 3.62Å; I851-F951 HydrophobicContact CG1-CE2 4.43Å; I851-F951 HydrophobicContact CG1-CG 3.79Å; V947-F951 WeakPolarHBondContact O-CB 3.44Å; V947-F951 PolarHBondContact O-N 2.88Å; G948-F951 PolarHBondContact O-N 2.53Å; F951-Q953 VanDerWaalsContact C-N 3.33Å; F951-Q953 PolarHBondContact O-N 2.93Å; F951-C954 WeakPolarHBondContact O-CB 3.33Å; F951-C954 PolarHBondContact O-N 3.43Å; F951-L955 HydrophobicContact CD2-CD1 4.27Å; F951-L955 HydrophobicContact CD2-CG 4.17Å; F951-L955 HydrophobicContact CE1-CD1 4.12Å; F951-L955 HydrophobicContact CE2-CD1 3.85Å; F951-L955 HydrophobicContact CE2-CD2 3.92Å; F951-L955 HydrophobicContact CE2-CG 3.91Å; F951-L955 HydrophobicContact CZ-CD1 3.75Å; F951-L955 HydrophobicContact CZ-CD2 4.4Å; F951-L955 HydrophobicContact CZ-CG 4.32Å; F951-L955 WeakPolarHBondContact O-CG 3.31Å; F951-L955 PolarHBondContact O-N 3.09Å; F951-L955 VanDerWaalsContact O-N 3.08Å; F951-A994 HydrophobicContact CE1-CB 4.08Å; F951-A994 HydrophobicContact CZ-CB 4.02Å; F951-F997 AromaticContact CD1-CD1 3.66Å; F951-F997 HydrophobicContact CD1-CD1 3.66Å; F951-F997 HydrophobicContact CD1-CE1 4.01Å; F951-F997 AromaticContact CE1-CD1 3.83Å; F951-F997 HydrophobicContact CE1-CD1 3.83Å; F951-F997 HydrophobicContact CE1-CE1 4.45Å; F951-I998 HydrophobicContact CB-CG1 4.42Å; F951-I998 HydrophobicContact CD1-CD1 3.73Å; F951-I998 HydrophobicContact CD1-CG1 3.44Å; F951-I998 VanDerWaalsContact CD1-CG1 3.44Å; F951-I998 HydrophobicContact CE1-CD1 4.11Å; F951-I998 HydrophobicContact CE1-CG1 4.02Å; F951-I998 HydrophobicContact CG-CD1 4.32Å; F951-I998 HydrophobicContact CG-CG1 4.27Å; F951-Y1020 AromaticContact CE1-CE1 3.76Å; F951-Y1020 HydrophobicContact CE1-CE1 3.76Å; F951-Y1020 AromaticContact CZ-CE1 3.74Å; F951-Y1020 HydrophobicContact CZ-CE1 3.74Å; F951-Y1020 AromaticContact CZ-CZ 3.99Å
952	F	98.2	Very high	97	Very high	1 Å²	1	11.7 Å²	11.7	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-58.1	-44.6	171.9	-175.8	-79.6	0	0	0	111.6	G948 V949 I950 C954 L955 F956 K958 P960 I982 F984 I998	G948-F952 WeakPolarHBondContact O-CB 3.21Å; G948-F952 PolarHBondContact O-N 3.26Å; V949-F952 PolarHBondContact O-N 2.83Å; I950-F952 PolarHBondContact O-N 3.05Å; F952-C954 VanDerWaalsContact C-N 3.34Å; F952-C954 PolarHBondContact O-N 3.05Å; F952-L955 PolarHBondContact O-N 3.36Å; F952-F956 HydrophobicContact CD1-CB 4.42Å; F952-F956 HydrophobicContact CD1-CD2 4.09Å; F952-F956 AromaticContact CD2-CD2 3.65Å; F952-F956 HydrophobicContact CD2-CD2 3.65Å; F952-F956 AromaticContact CD2-CE2 3.9Å; F952-F956 HydrophobicContact CD2-CE2 3.9Å; F952-F956 HydrophobicContact CE1-CB 4.11Å; F952-F956 HydrophobicContact CE1-CD2 4.12Å; F952-F956 HydrophobicContact CE1-CG 4.41Å; F952-F956 AromaticContact CE2-CD2 3.69Å; F952-F956 HydrophobicContact CE2-CD2 3.69Å; F952-F956 AromaticContact CE2-CE2 3.97Å; F952-F956 HydrophobicContact CE2-CE2 3.97Å; F952-F956 HydrophobicContact CE2-CG 4.45Å; F952-F956 AromaticContact CG-CD2 3.87Å; F952-F956 HydrophobicContact CG-CD2 3.87Å; F952-F956 HydrophobicContact CG-CE2 4.48Å; F952-F956 HydrophobicContact CZ-CB 4.41Å; F952-F956 AromaticContact CZ-CD2 3.94Å; F952-F956 HydrophobicContact CZ-CD2 3.94Å; F952-F956 HydrophobicContact CZ-CG 4.3Å; F952-F956 WeakPolarHBondContact O-CD2 3.33Å; F952-F956 PolarHBondContact O-N 2.89Å; F952-K958 VanDerWaalsContact CD1-O 3.25Å; F952-K958 WeakPolarHBondContact CD1-O 3.49Å; F952-K958 HydrophobicContact CE1-CG 4.26Å; F952-K958 WeakPolarHBondContact CE1-O 3.42Å; F952-P960 HydrophobicContact CB-CG 4.43Å; F952-P960 HydrophobicContact CD1-CB 3.75Å; F952-P960 HydrophobicContact CD1-CG 4.07Å; F952-P960 HydrophobicContact CD2-CB 4.15Å; F952-P960 VanDerWaalsContact CE1-CA 3.48Å; F952-P960 HydrophobicContact CE1-CB 3.82Å; F952-P960 HydrophobicContact CE2-CB 4.21Å; F952-P960 HydrophobicContact CG-CB 3.92Å; F952-P960 HydrophobicContact CG-CG 4.21Å; F952-P960 HydrophobicContact CZ-CB 4.05Å; F952-I982 HydrophobicContact CD2-CG2 3.91Å; F952-I982 HydrophobicContact CE2-CG2 3.56Å; F952-I982 HydrophobicContact CZ-CG2 4.5Å; F952-F984 HydrophobicContact CD2-CD1 4.11Å; F952-F984 AromaticContact CD2-CE1 3.95Å; F952-F984 HydrophobicContact CD2-CE1 3.95Å; F952-F984 AromaticContact CE2-CD1 3.83Å; F952-F984 HydrophobicContact CE2-CD1 3.83Å; F952-F984 HydrophobicContact CE2-CE1 4.09Å; F952-I998 HydrophobicContact CB-CD1 4.15Å; F952-I998 HydrophobicContact CB-CG2 4.3Å; F952-I998 HydrophobicContact CD2-CD1 4.46Å; F952-I998 HydrophobicContact CD2-CG2 4.23Å
953	Q	97.6	Very high	96.8	Very high	13 Å²	13	15.5 Å²	15.5	6%	0.061	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-37	177.7	-170.1	-178.3	-37.5	0	0	112.4	L836 Y923 V949 I950 F951 G957 K958 K959	L836-Q953 HydrophobicContact CD1-CG 4.2Å; Y923-Q953 PolarHBondContact OH-OE1 3.3Å; Y923-Q953 VanDerWaalsContact OH-OE1 3.1Å; V949-Q953 WeakPolarHBondContact O-CB 3.41Å; V949-Q953 PolarHBondContact O-N 2.79Å; I950-Q953 PolarHBondContact O-N 3.46Å; I950-Q953 VanDerWaalsContact O-N 3.14Å; F951-Q953 VanDerWaalsContact C-N 3.33Å; F951-Q953 PolarHBondContact O-N 2.93Å; Q953-G957 VanDerWaalsContact O-CA 3.28Å; Q953-G957 WeakPolarHBondContact O-CA 3.41Å; Q953-G957 PolarHBondContact O-N 3.18Å; Q953-K958 WeakPolarHBondContact CA-O 3.15Å; Q953-K959 HydrophobicContact CB-CG 4.47Å; Q953-K959 HydrophobicContact CG-CG 4.22Å
954	C	97.4	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-46.6	173.6	-67.1	0	0	0	0	112.1	S841 I842 A847 I950 F951 F952	S841-C954 CarbonylContact C-O 3.53Å; S841-C954 WeakPolarHBondContact CA-O 3.39Å; S841-C954 WeakPolarHBondContact CB-O 3.21Å; I842-C954 HydrophobicContact CB-CB 4.39Å; I842-C954 HydrophobicContact CD1-CB 4.3Å; I842-C954 PolarHBondContact N-O 3.19Å; A847-C954 HydrophobicContact CB-CB 3.87Å; I950-C954 PolarHBondContact O-N 3.39Å; I950-C954 PolarHBondContact O-SG 2.97Å; F951-C954 WeakPolarHBondContact O-CB 3.33Å; F951-C954 PolarHBondContact O-N 3.43Å; F952-C954 VanDerWaalsContact C-N 3.34Å; F952-C954 PolarHBondContact O-N 3.05Å
955	L	97.1	Very high	96.2	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-75.5	-40.7	-175.9	-61.5	178.8	0	0	0	113.5	E844 A847 F951 F952 V990 A994 I998	E844-L955 HydrophobicContact CB-CD2 3.96Å; E844-L955 HydrophobicContact CG-CD2 4.13Å; A847-L955 HydrophobicContact CB-CD2 3.77Å; F951-L955 HydrophobicContact CD2-CD1 4.27Å; F951-L955 HydrophobicContact CD2-CG 4.17Å; F951-L955 HydrophobicContact CE1-CD1 4.12Å; F951-L955 HydrophobicContact CE2-CD1 3.85Å; F951-L955 HydrophobicContact CE2-CD2 3.92Å; F951-L955 HydrophobicContact CE2-CG 3.91Å; F951-L955 HydrophobicContact CZ-CD1 3.75Å; F951-L955 HydrophobicContact CZ-CD2 4.4Å; F951-L955 HydrophobicContact CZ-CG 4.32Å; F951-L955 WeakPolarHBondContact O-CG 3.31Å; F951-L955 PolarHBondContact O-N 3.09Å; F951-L955 VanDerWaalsContact O-N 3.08Å; F952-L955 PolarHBondContact O-N 3.36Å; L955-V990 HydrophobicContact CB-CG2 4.2Å; L955-V990 HydrophobicContact CD1-CG1 3.75Å; L955-V990 HydrophobicContact CD1-CG2 4.27Å; L955-A994 HydrophobicContact CD1-CB 4.33Å; L955-I998 HydrophobicContact CD1-CD1 3.9Å
956	F	95.5	Very high	96	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.088	14%	0.137	C	C	.	.	H	α-helix	trans	-107.7	-3.1	-170	-61.1	-74.7	0	0	0	114.4	F952 K958 F984 P985 V990	F952-F956 HydrophobicContact CD1-CB 4.42Å; F952-F956 HydrophobicContact CD1-CD2 4.09Å; F952-F956 AromaticContact CD2-CD2 3.65Å; F952-F956 HydrophobicContact CD2-CD2 3.65Å; F952-F956 AromaticContact CD2-CE2 3.9Å; F952-F956 HydrophobicContact CD2-CE2 3.9Å; F952-F956 HydrophobicContact CE1-CB 4.11Å; F952-F956 HydrophobicContact CE1-CD2 4.12Å; F952-F956 HydrophobicContact CE1-CG 4.41Å; F952-F956 AromaticContact CE2-CD2 3.69Å; F952-F956 HydrophobicContact CE2-CD2 3.69Å; F952-F956 AromaticContact CE2-CE2 3.97Å; F952-F956 HydrophobicContact CE2-CE2 3.97Å; F952-F956 HydrophobicContact CE2-CG 4.45Å; F952-F956 AromaticContact CG-CD2 3.87Å; F952-F956 HydrophobicContact CG-CD2 3.87Å; F952-F956 HydrophobicContact CG-CE2 4.48Å; F952-F956 HydrophobicContact CZ-CB 4.41Å; F952-F956 AromaticContact CZ-CD2 3.94Å; F952-F956 HydrophobicContact CZ-CD2 3.94Å; F952-F956 HydrophobicContact CZ-CG 4.3Å; F952-F956 WeakPolarHBondContact O-CD2 3.33Å; F952-F956 PolarHBondContact O-N 2.89Å; F956-K958 HydrophobicContact CB-CG 4.39Å; F956-K958 PolarHBondContact O-N 3.33Å; F956-F984 AromaticContact CE2-CD1 3.7Å; F956-F984 HydrophobicContact CE2-CD1 3.7Å; F956-F984 HydrophobicContact CE2-CE1 4.26Å; F956-F984 HydrophobicContact CZ-CB 4.45Å; F956-F984 AromaticContact CZ-CD1 3.81Å; F956-F984 HydrophobicContact CZ-CD1 3.81Å; F956-P985 HydrophobicContact CB-CG 4.43Å; F956-P985 HydrophobicContact CD1-CB 4.17Å; F956-P985 HydrophobicContact CD1-CG 3.87Å; F956-P985 HydrophobicContact CE1-CG 4.45Å; F956-P985 HydrophobicContact CG-CG 4.25Å; F956-V990 HydrophobicContact CE1-CB 4.5Å; F956-V990 HydrophobicContact CE1-CG2 3.87Å; F956-V990 HydrophobicContact CE2-CG2 4.41Å; F956-V990 HydrophobicContact CZ-CB 4.03Å; F956-V990 HydrophobicContact CZ-CG1 4.27Å; F956-V990 HydrophobicContact CZ-CG2 3.67Å
957	G	93.3	Very high	95.7	Very high	34 Å²	34	27.3 Å²	27.3	35%	0.351	15%	0.146	S	C	.	.	S	Bend	trans	64.9	6.9	179.7	0	0	0	0	0	115.7	K840 Q953	K840-G957 WeakPolarHBondContact O-CA 3.3Å; Q953-G957 VanDerWaalsContact O-CA 3.28Å; Q953-G957 WeakPolarHBondContact O-CA 3.41Å; Q953-G957 PolarHBondContact O-N 3.18Å
958	K	93.5	Very high	95.4	Very high	80 Å²	80	29.8 Å²	29.8	35%	0.348	17%	0.167	S	C	.	.	S	Bend	trans	-138.7	160.5	177.5	66.7	173	-173.4	174.2	0	110.5	F952 Q953 F956 H963 P985	F952-K958 VanDerWaalsContact CD1-O 3.25Å; F952-K958 WeakPolarHBondContact CD1-O 3.49Å; F952-K958 HydrophobicContact CE1-CG 4.26Å; F952-K958 WeakPolarHBondContact CE1-O 3.42Å; Q953-K958 WeakPolarHBondContact CA-O 3.15Å; F956-K958 HydrophobicContact CB-CG 4.39Å; F956-K958 PolarHBondContact O-N 3.33Å; K958-H963 WeakPolarHBondContact CB-NE2 3.37Å; K958-P985 VanDerWaalsContact CE-CG 3.44Å
959	K	95.6	Very high	95.3	Very high	35 Å²	35	33.1 Å²	33.1	15%	0.152	19%	0.185	C	C	.	.			trans	-81.2	148.7	177	-69.6	-173.7	-78.6	-77.9	0	110.5	W922 Y923 Q953 F961	W922-K959 HydrophobicContact CB-CD 3.62Å; W922-K959 HydrophobicContact CD2-CD 4.27Å; W922-K959 HydrophobicContact CG-CD 3.55Å; W922-K959 VanDerWaalsContact NE1-CE 3.34Å; Y923-K959 HydrophobicContact CE1-CD 4.18Å; Q953-K959 HydrophobicContact CB-CG 4.47Å; Q953-K959 HydrophobicContact CG-CG 4.22Å; K959-F961 VanDerWaalsContact C-N 3.32Å
960	P	96.5	Very high	95.1	Very high	28 Å²	28	33.2 Å²	33.2	18%	0.182	19%	0.186	C	C	.	.	S	Bend	trans	-69.8	-32.1	-177.6	26.6	-31.6	0	0	0	112.2	V949 F952 I982	V949-P960 HydrophobicContact CB-CG 4.46Å; V949-P960 HydrophobicContact CG1-CG 4.26Å; V949-P960 HydrophobicContact CG2-CG 4.08Å; F952-P960 HydrophobicContact CB-CG 4.43Å; F952-P960 HydrophobicContact CD1-CB 3.75Å; F952-P960 HydrophobicContact CD1-CG 4.07Å; F952-P960 HydrophobicContact CD2-CB 4.15Å; F952-P960 VanDerWaalsContact CE1-CA 3.48Å; F952-P960 HydrophobicContact CE1-CB 3.82Å; F952-P960 HydrophobicContact CE2-CB 4.21Å; F952-P960 HydrophobicContact CG-CB 3.92Å; F952-P960 HydrophobicContact CG-CG 4.21Å; F952-P960 HydrophobicContact CZ-CB 4.05Å; P960-I982 HydrophobicContact CB-CD1 4.24Å; P960-I982 HydrophobicContact CB-CG1 4.32Å
961	F	96.6	Very high	94.8	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.096	21%	0.208	C	C	.	.	S	Bend	trans	-126.5	156.8	178.4	-43.4	-62.8	0	0	0	109.2	W945 K959 H963 I976 A979 I982	W945-F961 HydrophobicContact CH2-CD2 4.37Å; W945-F961 AromaticContact CH2-CE2 3.6Å; W945-F961 HydrophobicContact CH2-CE2 3.6Å; W945-F961 HydrophobicContact CH2-CZ 4.09Å; W945-F961 AromaticContact CZ2-CD2 3.73Å; W945-F961 HydrophobicContact CZ2-CD2 3.73Å; W945-F961 AromaticContact CZ2-CE2 3.33Å; W945-F961 HydrophobicContact CZ2-CE2 3.33Å; W945-F961 HydrophobicContact CZ2-CZ 4.25Å; K959-F961 VanDerWaalsContact C-N 3.32Å; F961-H963 PolarHBondContact O-N 2.92Å; F961-I976 HydrophobicContact CB-CD1 3.95Å; F961-A979 HydrophobicContact CD1-CB 3.63Å; F961-A979 HydrophobicContact CD2-CB 3.93Å; F961-A979 HydrophobicContact CE1-CB 3.61Å; F961-A979 HydrophobicContact CE2-CB 3.91Å; F961-A979 HydrophobicContact CG-CB 3.78Å; F961-A979 HydrophobicContact CZ-CB 3.74Å; F961-I982 HydrophobicContact CE1-CG1 4.01Å; F961-I982 HydrophobicContact CE2-CD1 4.42Å; F961-I982 HydrophobicContact CE2-CG1 4.28Å; F961-I982 HydrophobicContact CZ-CD1 4.04Å; F961-I982 HydrophobicContact CZ-CG1 3.44Å; F961-I982 VanDerWaalsContact CZ-CG1 3.44Å
962	G	93.5	Very high	94.6	Very high	6 Å²	6	45 Å²	45	6%	0.062	24%	0.243	C	C	.	.	S	Bend	trans	59.7	17.4	172.6	0	0	0	0	0	116.3	W922 N964 M965	W922-G962 PolarHBondContact NE1-O 3.01Å; G962-N964 PolarHBondContact O-N 3.22Å; G962-M965 WeakPolarHBondContact O-CB 3.45Å; G962-M965 PolarHBondContact O-N 3.19Å; G962-M965 VanDerWaalsContact O-N 3.14Å
963	H	91.3	Very high	94.4	Very high	81 Å²	81	50.6 Å²	50.6	38%	0.375	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	122.5	-175.5	-179.2	52.6	0	0	0	110.9	K958 F961 M965	K958-H963 WeakPolarHBondContact CB-NE2 3.37Å; F961-H963 PolarHBondContact O-N 2.92Å; H963-M965 VanDerWaalsContact C-N 3.26Å; H963-M965 PolarHBondContact O-N 2.99Å
964	N	91.4	Very high	94.3	Very high	137 Å²	137	53.2 Å²	53.2	73%	0.733	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	10.9	-175.7	-47.1	-31.5	0	0	0	115.6	G962	G962-N964 PolarHBondContact O-N 3.22Å
965	M	93.6	Very high	94.2	Very high	39 Å²	39	54.4 Å²	54.4	19%	0.192	29%	0.29	C	S	.	.			trans	-89.1	158.9	165.6	-59.9	177.3	72.4	0	0	110.4	W922 G962 H963 D969 I970 E973 T975	W922-M965 WeakPolarHBondContact CZ2-O 3.37Å; G962-M965 WeakPolarHBondContact O-CB 3.45Å; G962-M965 PolarHBondContact O-N 3.19Å; G962-M965 VanDerWaalsContact O-N 3.14Å; H963-M965 VanDerWaalsContact C-N 3.26Å; H963-M965 PolarHBondContact O-N 2.99Å; M965-D969 HydrophobicContact CB-CB 4.18Å; M965-D969 HydrophobicContact CE-CB 3.78Å; M965-I970 HydrophobicContact CB-CD1 4.34Å; M965-I970 HydrophobicContact CB-CG1 3.9Å; M965-I970 HydrophobicContact CE-CG1 4.45Å; M965-I970 HydrophobicContact SD-CG1 4.41Å; M965-E973 HydrophobicContact CE-CB 4.07Å; M965-E973 HydrophobicContact CE-CG 4.05Å; M965-E973 WeakPolarHBondContact CE-OE2 3.44Å; M965-T975 VanDerWaalsContact CE-OG1 3.31Å; M965-T975 WeakPolarHBondContact CE-OG1 3.45Å; M965-T975 HydrophobicContact SD-CG2 4.02Å
966	S	93.6	Very high	94.1	Very high	30 Å²	30	54.2 Å²	54.2	21%	0.21	29%	0.29	C	S	.	.			trans	-86.7	172.1	167.4	78.7	0	0	0	0	112	A968 D969 I970	S966-A968 PolarHBondContact O-N 3.49Å; S966-A968 PolarHBondContact OG-N 2.87Å; S966-D969 WeakPolarHBondContact CA-OD2 3.47Å; S966-D969 WeakPolarHBondContact CB-OD2 3.43Å; S966-D969 PolarHBondContact N-OD2 2.96Å; S966-D969 PolarHBondContact O-N 3.22Å; S966-D969 PolarHBondContact OG-N 3.41Å; S966-D969 PolarHBondContact OG-OD2 3.44Å; S966-I970 WeakPolarHBondContact O-CB 3.27Å; S966-I970 WeakPolarHBondContact O-CD1 3.27Å; S966-I970 VanDerWaalsContact O-CG1 3.27Å; S966-I970 WeakPolarHBondContact O-CG1 3.45Å; S966-I970 PolarHBondContact O-N 3.43Å
967	Q	92.8	Very high	94.1	Very high	42 Å²	42	54.9 Å²	54.9	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-30.3	173.7	-61.8	-151	118.6	0	0	112.7	Y921 W922 L971	Y921-Q967 HydrophobicContact CD2-CB 3.74Å; Y921-Q967 HydrophobicContact CD2-CG 4.27Å; Y921-Q967 WeakPolarHBondContact CD2-O 3.2Å; Y921-Q967 HydrophobicContact CE2-CB 3.98Å; Y921-Q967 WeakPolarHBondContact CE2-O 3.43Å; Y921-Q967 HydrophobicContact CG-CB 4.27Å; Y921-Q967 HydrophobicContact CG-CG 4.31Å; W922-Q967 HydrophobicContact CH2-CG 3.44Å; W922-Q967 VanDerWaalsContact CH2-CG 3.44Å; W922-Q967 HydrophobicContact CZ3-CG 3.46Å; W922-Q967 VanDerWaalsContact CZ3-CG 3.46Å; Q967-L971 PolarHBondContact O-N 3.03Å
968	A	92.9	Very high	94.1	Very high	53 Å²	53	59.4 Å²	59.4	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-69.6	-44.2	176.4	0	0	0	0	0	111.1	S966 L971 H972	S966-A968 PolarHBondContact O-N 3.49Å; S966-A968 PolarHBondContact OG-N 2.87Å; A968-L971 PolarHBondContact O-N 3.44Å; A968-H972 WeakPolarHBondContact O-CB 3.41Å; A968-H972 PolarHBondContact O-N 2.89Å
969	D	95.8	Very high	94.1	Very high	70 Å²	70	55.8 Å²	55.8	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-40.7	178.6	-45	-48.1	0	0	0	111	M965 S966 L971 H972 E973	M965-D969 HydrophobicContact CB-CB 4.18Å; M965-D969 HydrophobicContact CE-CB 3.78Å; S966-D969 WeakPolarHBondContact CA-OD2 3.47Å; S966-D969 WeakPolarHBondContact CB-OD2 3.43Å; S966-D969 PolarHBondContact N-OD2 2.96Å; S966-D969 PolarHBondContact O-N 3.22Å; S966-D969 PolarHBondContact OG-N 3.41Å; S966-D969 PolarHBondContact OG-OD2 3.44Å; D969-L971 VanDerWaalsContact C-N 3.26Å; D969-L971 PolarHBondContact O-N 3.11Å; D969-H972 PolarHBondContact O-N 3.14Å; D969-E973 WeakPolarHBondContact O-CB 3.42Å; D969-E973 PolarHBondContact O-N 3.44Å
970	I	94	Very high	94	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-37.6	176.5	-73.6	166.7	0	0	0	112	Y921 W922 M965 S966 N974 T975 I976	Y921-I970 HydrophobicContact CD2-CG2 4.29Å; W922-I970 HydrophobicContact CD2-CD1 3.83Å; W922-I970 VanDerWaalsContact CE2-CD1 3.41Å; W922-I970 HydrophobicContact CG-CD1 4.05Å; W922-I970 HydrophobicContact CH2-CD1 4.44Å; W922-I970 HydrophobicContact CZ2-CD1 3.8Å; M965-I970 HydrophobicContact CB-CD1 4.34Å; M965-I970 HydrophobicContact CB-CG1 3.9Å; M965-I970 HydrophobicContact CE-CG1 4.45Å; M965-I970 HydrophobicContact SD-CG1 4.41Å; S966-I970 WeakPolarHBondContact O-CB 3.27Å; S966-I970 WeakPolarHBondContact O-CD1 3.27Å; S966-I970 VanDerWaalsContact O-CG1 3.27Å; S966-I970 WeakPolarHBondContact O-CG1 3.45Å; S966-I970 PolarHBondContact O-N 3.43Å; I970-N974 CarbonylContact O-C 3.49Å; I970-N974 WeakPolarHBondContact O-CA 3.44Å; I970-N974 PolarHBondContact O-N 2.69Å; I970-T975 WeakPolarHBondContact CA-OG1 3.25Å; I970-T975 PolarHBondContact O-N 3.35Å; I970-I976 HydrophobicContact CG2-CD1 4.19Å; I970-I976 HydrophobicContact CG2-CG1 3.79Å
971	L	93	Very high	93.7	Very high	90 Å²	90	66.2 Å²	66.2	47%	0.471	34%	0.34	S	S	.	.	H	α-helix	trans	-75.2	-41.3	176.8	-165.4	68.8	0	0	0	111.4	Y921 F929 Q967 A968 D969 N974	Y921-L971 HydrophobicContact CE2-CB 4.17Å; Y921-L971 HydrophobicContact CE2-CD1 4.29Å; Y921-L971 HydrophobicContact CE2-CD2 4.49Å; F929-L971 HydrophobicContact CD1-CD1 4.09Å; F929-L971 HydrophobicContact CE1-CD1 4.48Å; Q967-L971 PolarHBondContact O-N 3.03Å; A968-L971 PolarHBondContact O-N 3.44Å; D969-L971 VanDerWaalsContact C-N 3.26Å; D969-L971 PolarHBondContact O-N 3.11Å; L971-N974 PolarHBondContact O-N 3.46Å
972	H	93.6	Very high	93.6	Very high	159 Å²	159	66.5 Å²	66.5	74%	0.736	34%	0.342	S	S	*	.	H	α-helix	trans	-68.3	-46.6	-179.2	-174.3	61.1	0	0	0	112.9	A968 D969 N974	A968-H972 WeakPolarHBondContact O-CB 3.41Å; A968-H972 PolarHBondContact O-N 2.89Å; D969-H972 PolarHBondContact O-N 3.14Å; H972-N974 PolarHBondContact O-N 3.35Å; H972-N974 PolarHBondContact O-ND2 3.03Å; H972-N974 VanDerWaalsContact O-ND2 3.17Å
973	E	94.1	Very high	93.5	Very high	118 Å²	118	72 Å²	72	55%	0.551	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.4	176.2	-64.3	-175.5	-156.1	0	0	112.9	M965 D969 T975 H978	M965-E973 HydrophobicContact CE-CB 4.07Å; M965-E973 HydrophobicContact CE-CG 4.05Å; M965-E973 WeakPolarHBondContact CE-OE2 3.44Å; D969-E973 WeakPolarHBondContact O-CB 3.42Å; D969-E973 PolarHBondContact O-N 3.44Å; E973-T975 PolarHBondContact O-N 3.19Å; E973-H978 PolarHBondContact O-ND1 3.09Å
974	N	94.4	Very high	93.7	Very high	67 Å²	67	70 Å²	70	36%	0.358	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	38	-177.5	-67	-89.3	0	0	0	112.3	I970 L971 H972 I976 L977 H978	I970-N974 CarbonylContact O-C 3.49Å; I970-N974 WeakPolarHBondContact O-CA 3.44Å; I970-N974 PolarHBondContact O-N 2.69Å; L971-N974 PolarHBondContact O-N 3.46Å; H972-N974 PolarHBondContact O-N 3.35Å; H972-N974 PolarHBondContact O-ND2 3.03Å; H972-N974 VanDerWaalsContact O-ND2 3.17Å; N974-I976 VanDerWaalsContact C-N 3.27Å; N974-I976 PolarHBondContact O-N 3.07Å; N974-I976 VanDerWaalsContact O-N 3.15Å; N974-L977 HydrophobicContact CB-CB 4.31Å; N974-L977 HydrophobicContact CB-CD1 4.23Å; N974-L977 PolarHBondContact O-N 2.95Å; N974-H978 PolarHBondContact O-N 3.12Å; N974-H978 VanDerWaalsContact O-N 3.12Å; N974-H978 PolarHBondContact O-ND1 2.77Å
975	T	95.4	Very high	93.8	Very high	25 Å²	25	64.7 Å²	64.7	15%	0.153	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.2	-164.2	-44	0	0	0	0	113.2	M965 I970 E973 H978 A979	M965-T975 VanDerWaalsContact CE-OG1 3.31Å; M965-T975 WeakPolarHBondContact CE-OG1 3.45Å; M965-T975 HydrophobicContact SD-CG2 4.02Å; I970-T975 WeakPolarHBondContact CA-OG1 3.25Å; I970-T975 PolarHBondContact O-N 3.35Å; E973-T975 PolarHBondContact O-N 3.19Å; T975-H978 PolarHBondContact O-N 2.78Å; T975-A979 PolarHBondContact O-N 2.84Å
976	I	95.8	Very high	93.6	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.005	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-33.8	178.6	-46.7	-55.4	0	0	0	111.6	P926 F929 W945 F961 I970 N974 H978 A979	P926-I976 HydrophobicContact CG-CG2 4.2Å; F929-I976 HydrophobicContact CD2-CB 3.77Å; F929-I976 HydrophobicContact CD2-CG1 4.27Å; F929-I976 HydrophobicContact CD2-CG2 3.89Å; F929-I976 HydrophobicContact CE2-CB 3.75Å; F929-I976 HydrophobicContact CE2-CG1 3.77Å; F929-I976 HydrophobicContact CE2-CG2 3.79Å; F929-I976 HydrophobicContact CZ-CB 4.49Å; F929-I976 HydrophobicContact CZ-CG1 4.08Å; W945-I976 HydrophobicContact CZ2-CG2 4.17Å; F961-I976 HydrophobicContact CB-CD1 3.95Å; I970-I976 HydrophobicContact CG2-CD1 4.19Å; I970-I976 HydrophobicContact CG2-CG1 3.79Å; N974-I976 VanDerWaalsContact C-N 3.27Å; N974-I976 PolarHBondContact O-N 3.07Å; N974-I976 VanDerWaalsContact O-N 3.15Å; I976-H978 PolarHBondContact O-N 3.16Å; I976-A979 WeakPolarHBondContact O-CB 3.47Å; I976-A979 PolarHBondContact O-N 2.92Å
977	L	94.4	Very high	93.1	Very high	33 Å²	33	73.3 Å²	73.3	17%	0.173	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.5	171.4	-66.5	174.9	0	0	0	112.4	P926 F929 N974 Y1004	P926-L977 WeakPolarHBondContact O-CD2 3.3Å; F929-L977 HydrophobicContact CB-CD1 4.24Å; F929-L977 HydrophobicContact CB-CD2 3.89Å; F929-L977 HydrophobicContact CB-CG 3.84Å; N974-L977 HydrophobicContact CB-CB 4.31Å; N974-L977 HydrophobicContact CB-CD1 4.23Å; N974-L977 PolarHBondContact O-N 2.95Å; L977-Y1004 VanDerWaalsContact O-CE2 3.31Å; L977-Y1004 WeakPolarHBondContact O-CE2 3.26Å; L977-Y1004 PolarHBondContact O-OH 3.08Å; L977-Y1004 VanDerWaalsContact O-OH 3.1Å
978	H	94.4	Very high	92.8	Very high	129 Å²	129	73.7 Å²	73.7	60%	0.597	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.6	173	-65.7	114.9	0	0	0	114	E973 N974 T975 I976 R980	E973-H978 PolarHBondContact O-ND1 3.09Å; N974-H978 PolarHBondContact O-N 3.12Å; N974-H978 VanDerWaalsContact O-N 3.12Å; N974-H978 PolarHBondContact O-ND1 2.77Å; T975-H978 PolarHBondContact O-N 2.78Å; I976-H978 PolarHBondContact O-N 3.16Å; H978-R980 PolarHBondContact O-N 2.96Å
979	A	93.7	Very high	92.7	Very high	5 Å²	5	81.4 Å²	81.4	4%	0.041	43%	0.425	C	S	.	.			trans	-75.7	48	-173.4	0	0	0	0	0	114.9	W945 F961 T975 I976 S981	W945-A979 HydrophobicContact CH2-CB 4.02Å; W945-A979 HydrophobicContact CZ2-CB 4.22Å; F961-A979 HydrophobicContact CD1-CB 3.63Å; F961-A979 HydrophobicContact CD2-CB 3.93Å; F961-A979 HydrophobicContact CE1-CB 3.61Å; F961-A979 HydrophobicContact CE2-CB 3.91Å; F961-A979 HydrophobicContact CG-CB 3.78Å; F961-A979 HydrophobicContact CZ-CB 3.74Å; T975-A979 PolarHBondContact O-N 2.84Å; I976-A979 WeakPolarHBondContact O-CB 3.47Å; I976-A979 PolarHBondContact O-N 2.92Å; A979-S981 VanDerWaalsContact C-N 3.32Å; A979-S981 PolarHBondContact O-N 3.14Å
980	R	92.8	Very high	92.6	Very high	191 Å²	191	78.8 Å²	78.8	72%	0.721	41%	0.411	S	S	*	.			trans	-71.5	-16.7	-172.5	-64.3	-175.1	-179.8	-170.1	1	115.2	H978 Y1004	H978-R980 PolarHBondContact O-N 2.96Å; R980-Y1004 HydrophobicContact CG-CD2 4.04Å; R980-Y1004 HydrophobicContact CG-CE2 4.05Å; R980-Y1004 HydrophobicContact CG-CG 4.43Å
981	S	91.1	Very high	92.7	Very high	91 Å²	91	80.8 Å²	80.8	64%	0.636	43%	0.426	S	S	*	.	S	Bend	trans	-155.8	152.5	179.2	63.9	0	0	0	0	112.1	A979	A979-S981 VanDerWaalsContact C-N 3.32Å; A979-S981 PolarHBondContact O-N 3.14Å
982	I	93.6	Very high	92.8	Very high	27 Å²	27	81.6 Å²	81.6	14%	0.138	43%	0.431	C	S	.	.			trans	-99.7	128.4	176.6	-70.9	-179.1	0	0	0	110.8	F952 P960 F961 F984 I998 C1002	F952-I982 HydrophobicContact CD2-CG2 3.91Å; F952-I982 HydrophobicContact CE2-CG2 3.56Å; F952-I982 HydrophobicContact CZ-CG2 4.5Å; P960-I982 HydrophobicContact CB-CD1 4.24Å; P960-I982 HydrophobicContact CB-CG1 4.32Å; F961-I982 HydrophobicContact CE1-CG1 4.01Å; F961-I982 HydrophobicContact CE2-CD1 4.42Å; F961-I982 HydrophobicContact CE2-CG1 4.28Å; F961-I982 HydrophobicContact CZ-CD1 4.04Å; F961-I982 HydrophobicContact CZ-CG1 3.44Å; F961-I982 VanDerWaalsContact CZ-CG1 3.44Å; I982-F984 HydrophobicContact CB-CE2 4.25Å; I982-F984 HydrophobicContact CB-CZ 4.32Å; I982-F984 HydrophobicContact CG2-CD1 4.15Å; I982-F984 HydrophobicContact CG2-CD2 4.08Å; I982-F984 HydrophobicContact CG2-CE1 3.85Å; I982-F984 HydrophobicContact CG2-CE2 3.75Å; I982-F984 HydrophobicContact CG2-CG 4.27Å; I982-F984 HydrophobicContact CG2-CZ 3.64Å; I982-I998 HydrophobicContact CD1-CG2 3.64Å; I982-C1002 HydrophobicContact CD1-CB 3.41Å; I982-C1002 VanDerWaalsContact CD1-CB 3.41Å; I982-C1002 HydrophobicContact CG1-CB 4.41Å
983	V	92.9	Very high	92.9	Very high	121 Å²	121	75.8 Å²	75.8	73%	0.733	41%	0.413	S	S	*	.			trans	-96.6	112.8	171	-177.9	0	0	0	0	109.5
984	F	95	Very high	93.1	Very high	40 Å²	40	70.1 Å²	70.1	18%	0.175	39%	0.387	C	S	.	.			trans	-84.7	125.4	178.2	-64.7	-82.9	0	0	0	111.1	F952 F956 I982 K995 I998 R999	F952-F984 HydrophobicContact CD2-CD1 4.11Å; F952-F984 AromaticContact CD2-CE1 3.95Å; F952-F984 HydrophobicContact CD2-CE1 3.95Å; F952-F984 AromaticContact CE2-CD1 3.83Å; F952-F984 HydrophobicContact CE2-CD1 3.83Å; F952-F984 HydrophobicContact CE2-CE1 4.09Å; F956-F984 AromaticContact CE2-CD1 3.7Å; F956-F984 HydrophobicContact CE2-CD1 3.7Å; F956-F984 HydrophobicContact CE2-CE1 4.26Å; F956-F984 HydrophobicContact CZ-CB 4.45Å; F956-F984 AromaticContact CZ-CD1 3.81Å; F956-F984 HydrophobicContact CZ-CD1 3.81Å; I982-F984 HydrophobicContact CB-CE2 4.25Å; I982-F984 HydrophobicContact CB-CZ 4.32Å; I982-F984 HydrophobicContact CG2-CD1 4.15Å; I982-F984 HydrophobicContact CG2-CD2 4.08Å; I982-F984 HydrophobicContact CG2-CE1 3.85Å; I982-F984 HydrophobicContact CG2-CE2 3.75Å; I982-F984 HydrophobicContact CG2-CG 4.27Å; I982-F984 HydrophobicContact CG2-CZ 3.64Å; F984-K995 HydrophobicContact CD1-CB 4.39Å; F984-K995 HydrophobicContact CD1-CG 3.95Å; F984-K995 HydrophobicContact CD2-CB 4.45Å; F984-K995 HydrophobicContact CD2-CG 4.44Å; F984-K995 HydrophobicContact CE1-CB 4.02Å; F984-K995 HydrophobicContact CE1-CG 4.03Å; F984-K995 HydrophobicContact CE2-CB 4.09Å; F984-K995 HydrophobicContact CG-CD 4.43Å; F984-K995 HydrophobicContact CG-CG 4.15Å; F984-K995 HydrophobicContact CZ-CB 3.86Å; F984-K995 HydrophobicContact CZ-CG 4.32Å; F984-K995 WeakPolarHBondContact CZ-O 3.35Å; F984-I998 HydrophobicContact CE1-CB 4.1Å; F984-I998 HydrophobicContact CE1-CD1 4.1Å; F984-I998 HydrophobicContact CE1-CG2 3.91Å; F984-I998 HydrophobicContact CZ-CB 4.08Å; F984-I998 HydrophobicContact CZ-CG2 3.9Å; F984-R999 HydrophobicContact CE2-CG 4.06Å; F984-R999 HydrophobicContact CZ-CG 4.21Å
985	P	92.3	Very high	93.2	Very high	25 Å²	25	68.9 Å²	68.9	16%	0.162	38%	0.378	C	S	.	.			trans	-63.4	133.3	175.1	-21.8	32.5	0	0	0	112.9	F956 K958 T987	F956-P985 HydrophobicContact CB-CG 4.43Å; F956-P985 HydrophobicContact CD1-CB 4.17Å; F956-P985 HydrophobicContact CD1-CG 3.87Å; F956-P985 HydrophobicContact CE1-CG 4.45Å; F956-P985 HydrophobicContact CG-CG 4.25Å; K958-P985 VanDerWaalsContact CE-CG 3.44Å; P985-T987 WeakPolarHBondContact CB-OG1 3.42Å; P985-T987 PolarHBondContact O-N 3.08Å
986	S	89.5	Confident	93.3	Very high	126 Å²	126	71.4 Å²	71.4	88%	0.881	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-10.3	172.9	53	0	0	0	0	114.1	T988	S986-T988 VanDerWaalsContact C-N 3.29Å; S986-T988 PolarHBondContact O-N 2.84Å
987	T	84.1	Confident	93.4	Very high	124 Å²	124	71.4 Å²	71.4	76%	0.761	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.8	-178.9	53	0	0	0	0	113.8	P985	P985-T987 WeakPolarHBondContact CB-OG1 3.42Å; P985-T987 PolarHBondContact O-N 3.08Å
988	T	86.1	Confident	93.6	Very high	51 Å²	51	69.9 Å²	69.9	31%	0.313	38%	0.38	S	S	.	.	S	Bend	trans	-119.4	122.7	-175.2	-47	0	0	0	0	109.7	S986 V990	S986-T988 VanDerWaalsContact C-N 3.29Å; S986-T988 PolarHBondContact O-N 2.84Å; T988-V990 HydrophobicContact CG2-CG2 4.06Å; T988-V990 PolarHBondContact O-N 3.09Å
989	K	91	Very high	93.7	Very high	215 Å²	215	68.8 Å²	68.8	94%	0.935	37%	0.371	S	S	*	.			trans	-73.5	112.7	174.5	-67.7	-175.5	178.7	-178.3	0	109.4
990	V	94.5	Very high	93.9	Very high	14 Å²	14	72 Å²	72	9%	0.085	38%	0.384	C	S	.	.			trans	-132.3	141.8	179.9	169.9	0	0	0	0	108	E844 L955 F956 T988 A994 K995	E844-V990 WeakPolarHBondContact OE2-CA 3.48Å; L955-V990 HydrophobicContact CB-CG2 4.2Å; L955-V990 HydrophobicContact CD1-CG1 3.75Å; L955-V990 HydrophobicContact CD1-CG2 4.27Å; F956-V990 HydrophobicContact CE1-CB 4.5Å; F956-V990 HydrophobicContact CE1-CG2 3.87Å; F956-V990 HydrophobicContact CE2-CG2 4.41Å; F956-V990 HydrophobicContact CZ-CB 4.03Å; F956-V990 HydrophobicContact CZ-CG1 4.27Å; F956-V990 HydrophobicContact CZ-CG2 3.67Å; T988-V990 HydrophobicContact CG2-CG2 4.06Å; T988-V990 PolarHBondContact O-N 3.09Å; V990-A994 HydrophobicContact CG1-CB 3.71Å; V990-K995 HydrophobicContact CG1-CG 4.17Å; V990-K995 WeakPolarHBondContact O-CE 3.34Å; V990-K995 PolarHBondContact O-NZ 3.12Å
991	S	95.9	Very high	94.1	Very high	45 Å²	45	62.9 Å²	62.9	32%	0.315	35%	0.349	S	S	.	.			trans	-66.6	150.7	179.9	76.3	0	0	0	0	112.3	E844 G993 A994 K995	E844-S991 WeakPolarHBondContact OE1-CB 3.48Å; E844-S991 PolarHBondContact OE1-OG 3.24Å; E844-S991 PolarHBondContact OE2-N 3.26Å; S991-G993 PolarHBondContact O-N 2.72Å; S991-A994 PolarHBondContact O-N 3.26Å; S991-A994 WeakPolarHBondContact OG-CB 3.33Å; S991-A994 PolarHBondContact OG-N 3.49Å; S991-A994 VanDerWaalsContact OG-N 3.17Å; S991-K995 WeakPolarHBondContact O-CG 3.46Å; S991-K995 PolarHBondContact O-N 2.91Å; S991-K995 VanDerWaalsContact O-N 3.08Å
992	D	95.3	Very high	94.4	Very high	107 Å²	107	59 Å²	59	57%	0.572	32%	0.323	S	S	*	.	H	α-helix	trans	-69.4	-25.1	178.4	-63	-66	0	0	0	112.7	K995 E996	D992-K995 PolarHBondContact O-N 2.74Å; D992-K995 WeakPolarHBondContact OD1-CD 3.43Å; D992-K995 IonicContact OD1-NZ 2.79Å; D992-K995 PolarHBondContact OD1-NZ 2.71Å; D992-K995 IonicContact OD2-NZ 2.86Å; D992-E996 VanDerWaalsContact O-CB 3.26Å; D992-E996 WeakPolarHBondContact O-CB 3.21Å; D992-E996 PolarHBondContact O-N 3.37Å
993	G	95.6	Very high	94.6	Very high	36 Å²	36	59.5 Å²	59.5	37%	0.371	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-42.4	168.4	0	0	0	0	0	112.7	S991 E996 F997 Y1020	S991-G993 PolarHBondContact O-N 2.72Å; G993-E996 PolarHBondContact O-N 3.24Å; G993-F997 WeakPolarHBondContact O-CB 3.34Å; G993-F997 PolarHBondContact O-N 3.26Å; G993-Y1020 VanDerWaalsContact C-CD2 3.46Å
994	A	97	Very high	94.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-40.2	175.2	0	0	0	0	0	112.1	E844 F951 L955 V990 S991 I998 Y1020	E844-A994 HydrophobicContact CG-CB 4.18Å; F951-A994 HydrophobicContact CE1-CB 4.08Å; F951-A994 HydrophobicContact CZ-CB 4.02Å; L955-A994 HydrophobicContact CD1-CB 4.33Å; V990-A994 HydrophobicContact CG1-CB 3.71Å; S991-A994 PolarHBondContact O-N 3.26Å; S991-A994 WeakPolarHBondContact OG-CB 3.33Å; S991-A994 PolarHBondContact OG-N 3.49Å; S991-A994 VanDerWaalsContact OG-N 3.17Å; A994-I998 WeakPolarHBondContact O-CG1 3.45Å; A994-I998 PolarHBondContact O-N 3.1Å; A994-I998 VanDerWaalsContact O-N 3.1Å; A994-Y1020 HydrophobicContact CB-CE1 4.4Å; A994-Y1020 HydrophobicContact CB-CE2 3.86Å
995	K	97.3	Very high	94.8	Very high	41 Å²	41	62.1 Å²	62.1	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-43.6	173.1	-63.3	169.3	-155.1	145.3	0	111.3	F984 V990 S991 D992 I998 R999	F984-K995 HydrophobicContact CD1-CB 4.39Å; F984-K995 HydrophobicContact CD1-CG 3.95Å; F984-K995 HydrophobicContact CD2-CB 4.45Å; F984-K995 HydrophobicContact CD2-CG 4.44Å; F984-K995 HydrophobicContact CE1-CB 4.02Å; F984-K995 HydrophobicContact CE1-CG 4.03Å; F984-K995 HydrophobicContact CE2-CB 4.09Å; F984-K995 HydrophobicContact CG-CD 4.43Å; F984-K995 HydrophobicContact CG-CG 4.15Å; F984-K995 HydrophobicContact CZ-CB 3.86Å; F984-K995 HydrophobicContact CZ-CG 4.32Å; F984-K995 WeakPolarHBondContact CZ-O 3.35Å; V990-K995 HydrophobicContact CG1-CG 4.17Å; V990-K995 WeakPolarHBondContact O-CE 3.34Å; V990-K995 PolarHBondContact O-NZ 3.12Å; S991-K995 WeakPolarHBondContact O-CG 3.46Å; S991-K995 PolarHBondContact O-N 2.91Å; S991-K995 VanDerWaalsContact O-N 3.08Å; D992-K995 PolarHBondContact O-N 2.74Å; D992-K995 WeakPolarHBondContact OD1-CD 3.43Å; D992-K995 IonicContact OD1-NZ 2.79Å; D992-K995 PolarHBondContact OD1-NZ 2.71Å; D992-K995 IonicContact OD2-NZ 2.86Å; K995-I998 WeakPolarHBondContact O-CB 3.29Å; K995-I998 PolarHBondContact O-N 3Å; K995-R999 WeakPolarHBondContact O-CG 3.3Å; K995-R999 PolarHBondContact O-N 3.22Å
996	E	96.9	Very high	94.9	Very high	78 Å²	78	63.6 Å²	63.6	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-68.1	-41.7	-178.8	-172.7	53.4	-145.6	0	0	112.3	D992 G993 I998 R999 K1000	D992-E996 VanDerWaalsContact O-CB 3.26Å; D992-E996 WeakPolarHBondContact O-CB 3.21Å; D992-E996 PolarHBondContact O-N 3.37Å; G993-E996 PolarHBondContact O-N 3.24Å; E996-I998 VanDerWaalsContact C-N 3.28Å; E996-I998 PolarHBondContact O-N 2.8Å; E996-R999 WeakPolarHBondContact O-CB 3.47Å; E996-R999 PolarHBondContact O-N 2.95Å; E996-R999 VanDerWaalsContact O-N 3.1Å; E996-R999 WeakPolarHBondContact OE2-CD 3.49Å; E996-R999 IonicContact OE2-CZ 2.82Å; E996-R999 IonicContact OE2-NE 3.17Å; E996-R999 IonicContact OE2-NH1 2.72Å; E996-R999 PolarHBondContact OE2-NH1 3.25Å; E996-K1000 WeakPolarHBondContact O-CG 3.25Å; E996-K1000 PolarHBondContact O-N 3.18Å
997	F	97.7	Very high	95.1	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-56.8	-41.9	170.3	-179.9	-90.9	0	0	0	111.9	I851 V947 F951 G993 K1000 C1001 L1015 D1018 Y1020 L1021	I851-F997 HydrophobicContact CG2-CE1 3.88Å; I851-F997 HydrophobicContact CG2-CZ 3.94Å; V947-F997 HydrophobicContact CG1-CE1 4.37Å; V947-F997 HydrophobicContact CG1-CZ 4.45Å; F951-F997 AromaticContact CD1-CD1 3.66Å; F951-F997 HydrophobicContact CD1-CD1 3.66Å; F951-F997 HydrophobicContact CD1-CE1 4.01Å; F951-F997 AromaticContact CE1-CD1 3.83Å; F951-F997 HydrophobicContact CE1-CD1 3.83Å; F951-F997 HydrophobicContact CE1-CE1 4.45Å; G993-F997 WeakPolarHBondContact O-CB 3.34Å; G993-F997 PolarHBondContact O-N 3.26Å; F997-K1000 PolarHBondContact O-N 2.84Å; F997-C1001 PolarHBondContact O-N 3.47Å; F997-C1001 PolarHBondContact O-SG 3Å; F997-L1015 HydrophobicContact CD2-CD1 4.14Å; F997-L1015 HydrophobicContact CE2-CD1 3.47Å; F997-L1015 VanDerWaalsContact CE2-CD1 3.47Å; F997-L1015 HydrophobicContact CE2-CD2 4.23Å; F997-L1015 HydrophobicContact CE2-CG 3.84Å; F997-L1015 HydrophobicContact CZ-CD1 3.91Å; F997-L1015 HydrophobicContact CZ-CD2 3.88Å; F997-L1015 HydrophobicContact CZ-CG 4.02Å; F997-D1018 HydrophobicContact CD2-CB 4.41Å; F997-D1018 HydrophobicContact CE2-CB 4.39Å; F997-Y1020 HydrophobicContact CB-CD1 3.58Å; F997-Y1020 HydrophobicContact CB-CE1 4.36Å; F997-Y1020 HydrophobicContact CB-CG 3.85Å; F997-Y1020 HydrophobicContact CD1-CD1 4.09Å; F997-Y1020 HydrophobicContact CD1-CE1 4.49Å; F997-Y1020 AromaticContact CD2-CD1 3.81Å; F997-Y1020 HydrophobicContact CD2-CD1 3.81Å; F997-Y1020 HydrophobicContact CD2-CG 4.34Å; F997-Y1020 AromaticContact CG-CD1 3.54Å; F997-Y1020 HydrophobicContact CG-CD1 3.54Å; F997-Y1020 HydrophobicContact CG-CE1 4.33Å; F997-Y1020 HydrophobicContact CG-CG 4.21Å; F997-L1021 HydrophobicContact CD2-CD2 4.32Å; F997-L1021 HydrophobicContact CD2-CG 4.29Å; F997-L1021 HydrophobicContact CE1-CD2 4.37Å; F997-L1021 HydrophobicContact CE2-CD1 3.76Å; F997-L1021 HydrophobicContact CE2-CD2 3.63Å; F997-L1021 HydrophobicContact CE2-CG 3.52Å; F997-L1021 HydrophobicContact CZ-CD1 3.97Å; F997-L1021 HydrophobicContact CZ-CD2 3.65Å; F997-L1021 HydrophobicContact CZ-CG 3.97Å
998	I	98.1	Very high	95.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-40.9	174.1	-68.9	166.8	0	0	0	111.8	F951 F952 L955 I982 F984 A994 K995 E996 C1001 C1002	F951-I998 HydrophobicContact CB-CG1 4.42Å; F951-I998 HydrophobicContact CD1-CD1 3.73Å; F951-I998 HydrophobicContact CD1-CG1 3.44Å; F951-I998 VanDerWaalsContact CD1-CG1 3.44Å; F951-I998 HydrophobicContact CE1-CD1 4.11Å; F951-I998 HydrophobicContact CE1-CG1 4.02Å; F951-I998 HydrophobicContact CG-CD1 4.32Å; F951-I998 HydrophobicContact CG-CG1 4.27Å; F952-I998 HydrophobicContact CB-CD1 4.15Å; F952-I998 HydrophobicContact CB-CG2 4.3Å; F952-I998 HydrophobicContact CD2-CD1 4.46Å; F952-I998 HydrophobicContact CD2-CG2 4.23Å; L955-I998 HydrophobicContact CD1-CD1 3.9Å; I982-I998 HydrophobicContact CD1-CG2 3.64Å; F984-I998 HydrophobicContact CE1-CB 4.1Å; F984-I998 HydrophobicContact CE1-CD1 4.1Å; F984-I998 HydrophobicContact CE1-CG2 3.91Å; F984-I998 HydrophobicContact CZ-CB 4.08Å; F984-I998 HydrophobicContact CZ-CG2 3.9Å; A994-I998 WeakPolarHBondContact O-CG1 3.45Å; A994-I998 PolarHBondContact O-N 3.1Å; A994-I998 VanDerWaalsContact O-N 3.1Å; K995-I998 WeakPolarHBondContact O-CB 3.29Å; K995-I998 PolarHBondContact O-N 3Å; E996-I998 VanDerWaalsContact C-N 3.28Å; E996-I998 PolarHBondContact O-N 2.8Å; I998-C1001 PolarHBondContact O-N 3.22Å; I998-C1002 WeakPolarHBondContact O-CB 3.49Å; I998-C1002 PolarHBondContact O-N 3.27Å
999	R	97.7	Very high	96.2	Very high	106 Å²	106	58.9 Å²	58.9	40%	0.4	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-46.9	175.7	-68.7	-177	-161.5	104.2	3	111.4	F984 K995 E996 C1002 T1003	F984-R999 HydrophobicContact CE2-CG 4.06Å; F984-R999 HydrophobicContact CZ-CG 4.21Å; K995-R999 WeakPolarHBondContact O-CG 3.3Å; K995-R999 PolarHBondContact O-N 3.22Å; E996-R999 WeakPolarHBondContact O-CB 3.47Å; E996-R999 PolarHBondContact O-N 2.95Å; E996-R999 VanDerWaalsContact O-N 3.1Å; E996-R999 WeakPolarHBondContact OE2-CD 3.49Å; E996-R999 IonicContact OE2-CZ 2.82Å; E996-R999 IonicContact OE2-NE 3.17Å; E996-R999 IonicContact OE2-NH1 2.72Å; E996-R999 PolarHBondContact OE2-NH1 3.25Å; R999-C1002 CarbonylContact O-C 3.35Å; R999-C1002 PolarHBondContact O-N 2.89Å; R999-T1003 PolarHBondContact O-N 3.41Å; R999-T1003 VanDerWaalsContact O-N 3.09Å; R999-T1003 PolarHBondContact O-OG1 2.8Å
1000	K	97.3	Very high	96.5	Very high	72 Å²	72	49.5 Å²	49.5	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-55	-56.7	175.2	-70.4	171.4	175.6	176.8	0	111	E996 F997 C1002 T1003 P1010 D1018	E996-K1000 WeakPolarHBondContact O-CG 3.25Å; E996-K1000 PolarHBondContact O-N 3.18Å; F997-K1000 PolarHBondContact O-N 2.84Å; K1000-C1002 VanDerWaalsContact C-N 3.34Å; K1000-C1002 PolarHBondContact O-N 3.41Å; K1000-T1003 WeakPolarHBondContact O-CB 3.4Å; K1000-T1003 PolarHBondContact O-N 2.86Å; K1000-T1003 PolarHBondContact O-OG1 3.04Å; K1000-P1010 HydrophobicContact CB-CG 4.39Å; K1000-P1010 VanDerWaalsContact O-CD 3.29Å; K1000-P1010 WeakPolarHBondContact O-CD 3.47Å; K1000-D1018 WeakPolarHBondContact CD-OD2 3.44Å; K1000-D1018 IonicContact NZ-OD1 2.65Å; K1000-D1018 IonicContact NZ-OD2 2.7Å; K1000-D1018 PolarHBondContact NZ-OD2 3.04Å
1001	C	98	Very high	96.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-44.6	179.5	-69.6	0	0	0	0	113	I944 G948 F997 I998 T1003 R1009 L1015	I944-C1001 HydrophobicContact CG2-CB 4.33Å; I944-C1001 WeakPolarHBondContact O-CB 3.19Å; G948-C1001 VanDerWaalsContact CA-CB 3.48Å; F997-C1001 PolarHBondContact O-N 3.47Å; F997-C1001 PolarHBondContact O-SG 3Å; I998-C1001 PolarHBondContact O-N 3.22Å; C1001-T1003 VanDerWaalsContact C-N 3.31Å; C1001-T1003 PolarHBondContact O-N 2.94Å; C1001-R1009 WeakPolarHBondContact O-CD 3.26Å; C1001-R1009 WeakPolarHBondContact O-CG 3.47Å; C1001-L1015 VanDerWaalsContact SG-CD1 3.56Å
1002	C	97.5	Very high	96.5	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.074	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	33.7	-179.8	-62.3	0	0	0	0	113.1	W945 I982 I998 R999 K1000 Y1004	W945-C1002 HydrophobicContact CE3-CB 4.04Å; W945-C1002 HydrophobicContact CZ3-CB 4.02Å; W945-C1002 VanDerWaalsContact CZ3-O 3.29Å; W945-C1002 WeakPolarHBondContact CZ3-O 3.25Å; I982-C1002 HydrophobicContact CD1-CB 3.41Å; I982-C1002 VanDerWaalsContact CD1-CB 3.41Å; I982-C1002 HydrophobicContact CG1-CB 4.41Å; I998-C1002 WeakPolarHBondContact O-CB 3.49Å; I998-C1002 PolarHBondContact O-N 3.27Å; R999-C1002 CarbonylContact O-C 3.35Å; R999-C1002 PolarHBondContact O-N 2.89Å; K1000-C1002 VanDerWaalsContact C-N 3.34Å; K1000-C1002 PolarHBondContact O-N 3.41Å; C1002-Y1004 PolarHBondContact O-N 2.96Å
1003	T	97.2	Very high	96.6	Very high	37 Å²	37	47.8 Å²	47.8	23%	0.227	23%	0.228	C	C	.	.			trans	-65.5	120.2	171.5	-60.6	0	0	0	0	108.9	R999 K1000 C1001 R1005 L1008 R1009	R999-T1003 PolarHBondContact O-N 3.41Å; R999-T1003 VanDerWaalsContact O-N 3.09Å; R999-T1003 PolarHBondContact O-OG1 2.8Å; K1000-T1003 WeakPolarHBondContact O-CB 3.4Å; K1000-T1003 PolarHBondContact O-N 2.86Å; K1000-T1003 PolarHBondContact O-OG1 3.04Å; C1001-T1003 VanDerWaalsContact C-N 3.31Å; C1001-T1003 PolarHBondContact O-N 2.94Å; T1003-R1005 PolarHBondContact O-N 3.18Å; T1003-L1008 HydrophobicContact CG2-CB 3.8Å; T1003-R1009 HydrophobicContact CG2-CB 4.49Å; T1003-R1009 PolarHBondContact O-NE 2.72Å; T1003-R1009 PolarHBondContact O-NH2 3.44Å
1004	Y	96.8	Very high	96.6	Very high	73 Å²	73	51.3 Å²	51.3	29%	0.286	24%	0.235	S	C	.	.	S	Bend	trans	-53.9	-51	-176.2	179.9	-88.4	0	0	0	111.9	P926 L977 R980 C1002 K1006 R1009	P926-Y1004 HydrophobicContact CB-CD2 4.06Å; P926-Y1004 HydrophobicContact CB-CE2 3.65Å; P926-Y1004 HydrophobicContact CG-CD2 3.56Å; P926-Y1004 HydrophobicContact CG-CE2 3.66Å; P926-Y1004 HydrophobicContact CG-CG 4.31Å; L977-Y1004 VanDerWaalsContact O-CE2 3.31Å; L977-Y1004 WeakPolarHBondContact O-CE2 3.26Å; L977-Y1004 PolarHBondContact O-OH 3.08Å; L977-Y1004 VanDerWaalsContact O-OH 3.1Å; R980-Y1004 HydrophobicContact CG-CD2 4.04Å; R980-Y1004 HydrophobicContact CG-CE2 4.05Å; R980-Y1004 HydrophobicContact CG-CG 4.43Å; C1002-Y1004 PolarHBondContact O-N 2.96Å; Y1004-K1006 PolarHBondContact O-N 2.73Å; Y1004-R1009 PolarHBondContact O-NH2 3.4Å
1005	R	95	Very high	96.5	Very high	143 Å²	143	51.3 Å²	51.3	54%	0.54	24%	0.235	S	C	.	.	S	Bend	trans	-72.6	112.7	176.7	-91.2	-175.5	72.5	153.8	-2.2	111.5	T1003 D1007 L1008 R1009	T1003-R1005 PolarHBondContact O-N 3.18Å; R1005-D1007 VanDerWaalsContact CB-OD1 3.28Å; R1005-D1007 WeakPolarHBondContact CB-OD1 3.45Å; R1005-D1007 IonicContact CZ-OD1 3.65Å; R1005-D1007 IonicContact CZ-OD2 2.64Å; R1005-D1007 IonicContact NE-OD1 2.71Å; R1005-D1007 PolarHBondContact NE-OD1 3.45Å; R1005-D1007 IonicContact NE-OD2 3.38Å; R1005-D1007 PolarHBondContact NE-OD2 3.45Å; R1005-D1007 IonicContact NH2-OD1 3.02Å; R1005-D1007 IonicContact NH2-OD2 2.63Å; R1005-D1007 PolarHBondContact NH2-OD2 3.03Å; R1005-D1007 PolarHBondContact O-N 2.82Å; R1005-L1008 HydrophobicContact CB-CB 4.26Å; R1005-L1008 HydrophobicContact CB-CD1 4.16Å; R1005-L1008 HydrophobicContact CB-CG 4.15Å; R1005-L1008 PolarHBondContact O-N 2.92Å; R1005-L1008 VanDerWaalsContact O-N 3.09Å; R1005-R1009 PolarHBondContact O-N 2.92Å
1006	K	94.5	Very high	96.4	Very high	56 Å²	56	50.8 Å²	50.8	24%	0.243	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28	178.6	60.8	174.5	165.5	-179.7	0	114.2	E927 K937 K941 Y1004	E927-K1006 HydrophobicContact CB-CD 3.97Å; E927-K1006 HydrophobicContact CG-CD 3.98Å; K937-K1006 PolarHBondContact O-NZ 2.63Å; K941-K1006 WeakPolarHBondContact CD-O 3.38Å; K941-K1006 PolarHBondContact NZ-O 3.19Å; Y1004-K1006 PolarHBondContact O-N 2.73Å
1007	D	93.6	Very high	96.3	Very high	82 Å²	82	51.8 Å²	51.8	44%	0.439	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-42.7	174.8	53.7	-62.4	0	0	0	111.5	K941 R1005	K941-D1007 PolarHBondContact NZ-O 3.25Å; R1005-D1007 VanDerWaalsContact CB-OD1 3.28Å; R1005-D1007 WeakPolarHBondContact CB-OD1 3.45Å; R1005-D1007 IonicContact CZ-OD1 3.65Å; R1005-D1007 IonicContact CZ-OD2 2.64Å; R1005-D1007 IonicContact NE-OD1 2.71Å; R1005-D1007 PolarHBondContact NE-OD1 3.45Å; R1005-D1007 IonicContact NE-OD2 3.38Å; R1005-D1007 PolarHBondContact NE-OD2 3.45Å; R1005-D1007 IonicContact NH2-OD1 3.02Å; R1005-D1007 IonicContact NH2-OD2 2.63Å; R1005-D1007 PolarHBondContact NH2-OD2 3.03Å; R1005-D1007 PolarHBondContact O-N 2.82Å
1008	L	95.8	Very high	96.1	Very high	119 Å²	119	52.8 Å²	52.8	62%	0.623	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-23	179.5	-58.2	-179.3	0	0	0	114.2	T1003 R1005	T1003-L1008 HydrophobicContact CG2-CB 3.8Å; R1005-L1008 HydrophobicContact CB-CB 4.26Å; R1005-L1008 HydrophobicContact CB-CD1 4.16Å; R1005-L1008 HydrophobicContact CB-CG 4.15Å; R1005-L1008 PolarHBondContact O-N 2.92Å; R1005-L1008 VanDerWaalsContact O-N 3.09Å
1009	R	97.2	Very high	95.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-62	137.4	174.2	-164.2	-174.3	-54.1	143.2	12.3	109.9	E927 K941 I944 C1001 T1003 Y1004 R1005	E927-R1009 IonicContact OE1-CZ 3.91Å; E927-R1009 IonicContact OE1-NH1 3.35Å; E927-R1009 PolarHBondContact OE1-NH1 2.91Å; E927-R1009 IonicContact OE1-NH2 3.97Å; E927-R1009 PolarHBondContact OE1-NH2 3.44Å; E927-R1009 IonicContact OE2-CZ 2.98Å; E927-R1009 IonicContact OE2-NH1 2.71Å; E927-R1009 IonicContact OE2-NH2 3.13Å; E927-R1009 PolarHBondContact OE2-NH2 3.24Å; K941-R1009 WeakPolarHBondContact CD-O 3.4Å; K941-R1009 VanDerWaalsContact CE-O 3.23Å; K941-R1009 WeakPolarHBondContact CE-O 3.43Å; K941-R1009 PolarHBondContact NZ-O 2.93Å; K941-R1009 WeakPolarHBondContact O-CD 3.46Å; K941-R1009 PolarHBondContact O-NH1 2.95Å; I944-R1009 HydrophobicContact CG2-CG 4.09Å; C1001-R1009 WeakPolarHBondContact O-CD 3.26Å; C1001-R1009 WeakPolarHBondContact O-CG 3.47Å; T1003-R1009 HydrophobicContact CG2-CB 4.49Å; T1003-R1009 PolarHBondContact O-NE 2.72Å; T1003-R1009 PolarHBondContact O-NH2 3.44Å; Y1004-R1009 PolarHBondContact O-NH2 3.4Å; R1005-R1009 PolarHBondContact O-N 2.92Å
1010	P	96.9	Very high	95.7	Very high	19 Å²	19	53.9 Å²	53.9	12%	0.123	26%	0.261	C	S	.	.			trans	-64.6	151.7	177.3	26.4	-33.9	0	0	0	111.8	I944 K1000 Q1014 L1015	I944-P1010 HydrophobicContact CG2-CG 4.28Å; K1000-P1010 HydrophobicContact CB-CG 4.39Å; K1000-P1010 VanDerWaalsContact O-CD 3.29Å; K1000-P1010 WeakPolarHBondContact O-CD 3.47Å; P1010-Q1014 VanDerWaalsContact CA-OE1 3.25Å; P1010-Q1014 HydrophobicContact CB-CB 3.89Å; P1010-L1015 HydrophobicContact CG-CD1 4.04Å
1011	D	95.3	Very high	95.5	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.219	25%	0.25	C	S	.	.			trans	-80.2	179.2	164.4	69.7	56.4	0	0	0	112.4	K941 F1013 Q1014 L1015	K941-D1011 HydrophobicContact CG-CB 4.29Å; D1011-F1013 WeakPolarHBondContact OD1-CA 3.29Å; D1011-F1013 WeakPolarHBondContact OD1-CB 3.22Å; D1011-F1013 PolarHBondContact OD1-N 2.87Å; D1011-Q1014 PolarHBondContact O-N 3Å; D1011-Q1014 PolarHBondContact OD1-N 3.1Å; D1011-Q1014 WeakPolarHBondContact OD2-CG 3.49Å; D1011-Q1014 PolarHBondContact OD2-NE2 3.3Å; D1011-Q1014 PolarHBondContact OD2-OE1 3.14Å; D1011-L1015 WeakPolarHBondContact O-CB 3.49Å; D1011-L1015 PolarHBondContact O-N 2.94Å
1012	V	95.9	Very high	94.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-37	-177.2	-178.4	0	0	0	0	112.9	L858 K859 N862 I944 S1016	L858-V1012 VanDerWaalsContact C-CG1 3.49Å; L858-V1012 HydrophobicContact CB-CG1 3.84Å; K859-V1012 HydrophobicContact CB-CG1 4.27Å; N862-V1012 HydrophobicContact CB-CB 4.34Å; N862-V1012 HydrophobicContact CB-CG1 4.32Å; I944-V1012 HydrophobicContact CD1-CB 4.37Å; I944-V1012 HydrophobicContact CD1-CG2 3.75Å; I944-V1012 HydrophobicContact CG1-CG2 4.03Å; V1012-S1016 VanDerWaalsContact O-CB 3.29Å; V1012-S1016 WeakPolarHBondContact O-CB 3.46Å; V1012-S1016 PolarHBondContact O-N 3.17Å; V1012-S1016 PolarHBondContact O-OG 2.72Å
1013	F	96.5	Very high	94	Very high	88 Å²	88	56.5 Å²	56.5	39%	0.386	28%	0.279	S	S	.	.	H	α-helix	trans	-70.6	-44.6	177.3	-58.7	-77.4	0	0	0	110.5	N862 E863 D1011 S1016 N1017	N862-F1013 HydrophobicContact CB-CE1 4.5Å; N862-F1013 HydrophobicContact CB-CE2 3.99Å; N862-F1013 HydrophobicContact CB-CZ 3.78Å; E863-F1013 HydrophobicContact CG-CE1 3.71Å; E863-F1013 HydrophobicContact CG-CZ 4.33Å; D1011-F1013 WeakPolarHBondContact OD1-CA 3.29Å; D1011-F1013 WeakPolarHBondContact OD1-CB 3.22Å; D1011-F1013 PolarHBondContact OD1-N 2.87Å; F1013-S1016 PolarHBondContact O-N 2.88Å; F1013-S1016 PolarHBondContact O-OG 3.36Å; F1013-N1017 PolarHBondContact O-N 3.17Å; F1013-N1017 PolarHBondContact O-ND2 2.9Å
1014	Q	96.3	Very high	92.7	Very high	110 Å²	110	63.5 Å²	63.5	51%	0.514	31%	0.307	S	S	.	.	H	α-helix	trans	-58.7	-50.1	174.9	-69.2	173.8	-13.6	0	0	111	P1010 D1011 S1016 N1017 D1018	P1010-Q1014 VanDerWaalsContact CA-OE1 3.25Å; P1010-Q1014 HydrophobicContact CB-CB 3.89Å; D1011-Q1014 PolarHBondContact O-N 3Å; D1011-Q1014 PolarHBondContact OD1-N 3.1Å; D1011-Q1014 WeakPolarHBondContact OD2-CG 3.49Å; D1011-Q1014 PolarHBondContact OD2-NE2 3.3Å; D1011-Q1014 PolarHBondContact OD2-OE1 3.14Å; Q1014-S1016 PolarHBondContact O-N 3.03Å; Q1014-N1017 PolarHBondContact O-N 3.4Å; Q1014-N1017 VanDerWaalsContact O-N 3.17Å; Q1014-D1018 PolarHBondContact O-N 3.28Å
1015	L	96	Very high	91	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-37	179.1	-164.2	75.4	0	0	0	112.6	V855 I944 V947 F997 C1001 P1010 D1011 N1017 D1018 L1021	V855-L1015 HydrophobicContact CG2-CD2 4.02Å; I944-L1015 HydrophobicContact CD1-CB 4.33Å; I944-L1015 HydrophobicContact CD1-CD2 3.76Å; I944-L1015 HydrophobicContact CG2-CD2 4.24Å; V947-L1015 HydrophobicContact CG1-CD2 4.18Å; F997-L1015 HydrophobicContact CD2-CD1 4.14Å; F997-L1015 HydrophobicContact CE2-CD1 3.47Å; F997-L1015 VanDerWaalsContact CE2-CD1 3.47Å; F997-L1015 HydrophobicContact CE2-CD2 4.23Å; F997-L1015 HydrophobicContact CE2-CG 3.84Å; F997-L1015 HydrophobicContact CZ-CD1 3.91Å; F997-L1015 HydrophobicContact CZ-CD2 3.88Å; F997-L1015 HydrophobicContact CZ-CG 4.02Å; C1001-L1015 VanDerWaalsContact SG-CD1 3.56Å; P1010-L1015 HydrophobicContact CG-CD1 4.04Å; D1011-L1015 WeakPolarHBondContact O-CB 3.49Å; D1011-L1015 PolarHBondContact O-N 2.94Å; L1015-N1017 PolarHBondContact O-N 3.18Å; L1015-N1017 VanDerWaalsContact O-N 3.12Å; L1015-D1018 WeakPolarHBondContact O-CB 3.47Å; L1015-D1018 PolarHBondContact O-N 2.84Å; L1015-D1018 VanDerWaalsContact O-N 3.08Å; L1015-L1021 WeakPolarHBondContact O-CD1 3.44Å
1016	S	94.8	Very high	89.5	Confident	29 Å²	29	61.8 Å²	61.8	20%	0.203	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-18	177	77.7	0	0	0	0	114.1	V1012 F1013 Q1014	V1012-S1016 VanDerWaalsContact O-CB 3.29Å; V1012-S1016 WeakPolarHBondContact O-CB 3.46Å; V1012-S1016 PolarHBondContact O-N 3.17Å; V1012-S1016 PolarHBondContact O-OG 2.72Å; F1013-S1016 PolarHBondContact O-N 2.88Å; F1013-S1016 PolarHBondContact O-OG 3.36Å; Q1014-S1016 PolarHBondContact O-N 3.03Å
1017	N	93.7	Very high	87.9	Confident	100 Å²	100	62.1 Å²	62.1	54%	0.535	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	5	178.1	-70	-65.5	0	0	0	113.5	F1013 Q1014 L1015 K1022	F1013-N1017 PolarHBondContact O-N 3.17Å; F1013-N1017 PolarHBondContact O-ND2 2.9Å; Q1014-N1017 PolarHBondContact O-N 3.4Å; Q1014-N1017 VanDerWaalsContact O-N 3.17Å; L1015-N1017 PolarHBondContact O-N 3.18Å; L1015-N1017 VanDerWaalsContact O-N 3.12Å; N1017-K1022 WeakPolarHBondContact O-CE 3.47Å; N1017-K1022 PolarHBondContact O-NZ 3.42Å
1018	D	94.4	Very high	86.3	Confident	22 Å²	22	65 Å²	65	12%	0.118	33%	0.333	C	S	.	.			trans	-66.5	135	-178.2	-167.5	-80.5	0	0	0	112.3	F997 K1000 Q1014 L1015 Y1020 L1021 K1022	F997-D1018 HydrophobicContact CD2-CB 4.41Å; F997-D1018 HydrophobicContact CE2-CB 4.39Å; K1000-D1018 WeakPolarHBondContact CD-OD2 3.44Å; K1000-D1018 IonicContact NZ-OD1 2.65Å; K1000-D1018 IonicContact NZ-OD2 2.7Å; K1000-D1018 PolarHBondContact NZ-OD2 3.04Å; Q1014-D1018 PolarHBondContact O-N 3.28Å; L1015-D1018 WeakPolarHBondContact O-CB 3.47Å; L1015-D1018 PolarHBondContact O-N 2.84Å; L1015-D1018 VanDerWaalsContact O-N 3.08Å; D1018-Y1020 PolarHBondContact O-N 2.67Å; D1018-Y1020 VanDerWaalsContact OD1-CB 3.27Å; D1018-Y1020 WeakPolarHBondContact OD1-CB 3.37Å; D1018-Y1020 PolarHBondContact OD1-N 3.05Å; D1018-L1021 PolarHBondContact O-N 3.44Å; D1018-K1022 PolarHBondContact O-N 3.21Å
1019	D	92.7	Very high	84.6	Confident	95 Å²	95	65.9 Å²	65.9	51%	0.508	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.3	-178	-63.8	-53	0	0	0	113.6	L1021 K1022 L1027	D1019-L1021 VanDerWaalsContact C-N 3.26Å; D1019-L1021 PolarHBondContact O-N 3.01Å; D1019-K1022 PolarHBondContact O-N 2.93Å; D1019-K1022 WeakPolarHBondContact OD1-CD 3.39Å; D1019-K1022 WeakPolarHBondContact OD1-CE 3.2Å; D1019-K1022 IonicContact OD1-NZ 2.63Å; D1019-K1022 PolarHBondContact OD1-NZ 3.01Å; D1019-L1027 HydrophobicContact CB-CD2 4.43Å
1020	Y	94.1	Very high	82.5	Confident	33 Å²	33	74.4 Å²	74.4	13%	0.129	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.9	174.2	-178.7	-100.4	0	0	0	112.2	K848 F951 G993 A994 F997 D1018	K848-Y1020 HydrophobicContact CB-CE1 4.48Å; K848-Y1020 HydrophobicContact CD-CE1 4.13Å; K848-Y1020 WeakPolarHBondContact CE-O 3.29Å; K848-Y1020 HydrophobicContact CG-CE1 4.28Å; K848-Y1020 PolarHBondContact NZ-O 3.22Å; F951-Y1020 AromaticContact CE1-CE1 3.76Å; F951-Y1020 HydrophobicContact CE1-CE1 3.76Å; F951-Y1020 AromaticContact CZ-CE1 3.74Å; F951-Y1020 HydrophobicContact CZ-CE1 3.74Å; F951-Y1020 AromaticContact CZ-CZ 3.99Å; G993-Y1020 VanDerWaalsContact C-CD2 3.46Å; A994-Y1020 HydrophobicContact CB-CE1 4.4Å; A994-Y1020 HydrophobicContact CB-CE2 3.86Å; F997-Y1020 HydrophobicContact CB-CD1 3.58Å; F997-Y1020 HydrophobicContact CB-CE1 4.36Å; F997-Y1020 HydrophobicContact CB-CG 3.85Å; F997-Y1020 HydrophobicContact CD1-CD1 4.09Å; F997-Y1020 HydrophobicContact CD1-CE1 4.49Å; F997-Y1020 AromaticContact CD2-CD1 3.81Å; F997-Y1020 HydrophobicContact CD2-CD1 3.81Å; F997-Y1020 HydrophobicContact CD2-CG 4.34Å; F997-Y1020 AromaticContact CG-CD1 3.54Å; F997-Y1020 HydrophobicContact CG-CD1 3.54Å; F997-Y1020 HydrophobicContact CG-CE1 4.33Å; F997-Y1020 HydrophobicContact CG-CG 4.21Å; D1018-Y1020 PolarHBondContact O-N 2.67Å; D1018-Y1020 VanDerWaalsContact OD1-CB 3.27Å; D1018-Y1020 WeakPolarHBondContact OD1-CB 3.37Å; D1018-Y1020 PolarHBondContact OD1-N 3.05Å
1021	L	92.7	Very high	80.7	Confident	16 Å²	16	78.8 Å²	78.8	8%	0.084	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-30.8	177.9	-63.4	-172.8	0	0	0	113.1	K848 I851 V855 F997 L1015 D1018 D1019	K848-L1021 WeakPolarHBondContact CE-O 3.38Å; K848-L1021 PolarHBondContact NZ-O 3.16Å; K848-L1021 VanDerWaalsContact NZ-O 3.14Å; I851-L1021 HydrophobicContact CG2-CD2 4.09Å; V855-L1021 HydrophobicContact CB-CD1 4.16Å; V855-L1021 HydrophobicContact CG1-CD1 3.98Å; V855-L1021 HydrophobicContact CG2-CD1 4.06Å; F997-L1021 HydrophobicContact CD2-CD2 4.32Å; F997-L1021 HydrophobicContact CD2-CG 4.29Å; F997-L1021 HydrophobicContact CE1-CD2 4.37Å; F997-L1021 HydrophobicContact CE2-CD1 3.76Å; F997-L1021 HydrophobicContact CE2-CD2 3.63Å; F997-L1021 HydrophobicContact CE2-CG 3.52Å; F997-L1021 HydrophobicContact CZ-CD1 3.97Å; F997-L1021 HydrophobicContact CZ-CD2 3.65Å; F997-L1021 HydrophobicContact CZ-CG 3.97Å; L1015-L1021 WeakPolarHBondContact O-CD1 3.44Å; D1018-L1021 PolarHBondContact O-N 3.44Å; D1019-L1021 VanDerWaalsContact C-N 3.26Å; D1019-L1021 PolarHBondContact O-N 3.01Å
1022	K	86.7	Confident	78.8	Confident	50 Å²	50	82 Å²	82	22%	0.217	41%	0.406	C	S	.	.	S	Bend	trans	-52.4	141.4	-177.2	-67.6	175.7	-167.6	157.6	0	112.5	K848 N1017 D1018 D1019 L1027	K848-K1022 PolarHBondContact NZ-O 3.3Å; N1017-K1022 WeakPolarHBondContact O-CE 3.47Å; N1017-K1022 PolarHBondContact O-NZ 3.42Å; D1018-K1022 PolarHBondContact O-N 3.21Å; D1019-K1022 PolarHBondContact O-N 2.93Å; D1019-K1022 WeakPolarHBondContact OD1-CD 3.39Å; D1019-K1022 WeakPolarHBondContact OD1-CE 3.2Å; D1019-K1022 IonicContact OD1-NZ 2.63Å; D1019-K1022 PolarHBondContact OD1-NZ 3.01Å; K1022-L1027 HydrophobicContact CB-CD1 4.23Å; K1022-L1027 HydrophobicContact CB-CG 4.23Å
1023	P	77.9	Confident	76.9	Confident	72 Å²	72	86.4 Å²	86.4	47%	0.468	43%	0.433	S	S	.	.			trans	-62.5	145.2	168.9	-22.5	34.1	0	0	0	111.3	A1025 Q1026 L1027	P1023-A1025 PolarHBondContact O-N 3.22Å; P1023-Q1026 PolarHBondContact O-N 3.4Å; P1023-L1027 PolarHBondContact O-N 2.82Å
1024	K	69.5	Low	74.9	Confident	185 Å²	185	86.5 Å²	86.5	80%	0.804	44%	0.444	S	S	*	.	H	α-helix	trans	-57.4	-24.3	178.4	-69.5	-170.3	175.9	-172.8	0	113.7	K1028	K1024-K1028 PolarHBondContact O-N 3.2Å
1025	A	61.9	Low	72.8	Confident	72 Å²	72	86.5 Å²	86.5	60%	0.595	45%	0.452	S	S	*	.	H	α-helix	trans	-67.4	-40.4	173.7	0	0	0	0	0	113	P1023 K1028 H1029	P1023-A1025 PolarHBondContact O-N 3.22Å; A1025-K1028 PolarHBondContact O-N 2.84Å; A1025-H1029 PolarHBondContact O-N 3.11Å
1026	Q	62.4	Low	70.3	Confident	107 Å²	107	92.7 Å²	92.7	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-70.5	-37	177.7	-69.7	-177.4	-12.9	0	0	111.7	P1023 K1028 H1029 Y1030	P1023-Q1026 PolarHBondContact O-N 3.4Å; Q1026-K1028 VanDerWaalsContact C-N 3.3Å; Q1026-K1028 PolarHBondContact O-N 3.35Å; Q1026-H1029 PolarHBondContact O-N 2.83Å; Q1026-Y1030 PolarHBondContact O-N 3.3Å
1027	L	62	Low	67.9	Low	64 Å²	64	97.2 Å²	97.2	34%	0.335	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-33.9	175.9	-77.7	150.6	0	0	0	112.8	D1019 K1022 P1023 L1031	D1019-L1027 HydrophobicContact CB-CD2 4.43Å; K1022-L1027 HydrophobicContact CB-CD1 4.23Å; K1022-L1027 HydrophobicContact CB-CG 4.23Å; P1023-L1027 PolarHBondContact O-N 2.82Å; L1027-L1031 PolarHBondContact O-N 3.44Å
1028	K	60.1	Low	65.2	Low	142 Å²	142	95.3 Å²	95.3	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-64.3	-48.2	172.5	-81.3	-165.8	166.7	-159.9	0	112.5	K1024 A1025 Q1026 Y1030 L1031 D1032	K1024-K1028 PolarHBondContact O-N 3.2Å; A1025-K1028 PolarHBondContact O-N 2.84Å; Q1026-K1028 VanDerWaalsContact C-N 3.3Å; Q1026-K1028 PolarHBondContact O-N 3.35Å; K1028-Y1030 PolarHBondContact O-N 3.32Å; K1028-L1031 WeakPolarHBondContact O-CA 3.48Å; K1028-L1031 WeakPolarHBondContact O-CB 3.3Å; K1028-L1031 PolarHBondContact O-N 3.03Å; K1028-D1032 PolarHBondContact O-N 3.02Å
1029	H	59.2	Low	63.4	Low	137 Å²	137	100.6 Å²	100.6	63%	0.634	55%	0.553	S	S	*	*	H	α-helix	trans	-56	-37	-178.5	-110	-72.2	0	0	0	113.5	A1025 Q1026 T1033	A1025-H1029 PolarHBondContact O-N 3.11Å; Q1026-H1029 PolarHBondContact O-N 2.83Å; H1029-T1033 WeakPolarHBondContact O-CB 3.38Å; H1029-T1033 PolarHBondContact O-N 3.09Å; H1029-T1033 VanDerWaalsContact O-N 3.09Å; H1029-T1033 PolarHBondContact O-OG1 3.14Å
1030	Y	53.8	Low	61.1	Low	180 Å²	180	103.5 Å²	103.5	71%	0.706	57%	0.573	S	S	*	*	H	α-helix	trans	-68.2	-40.2	174	-88.4	-91.7	0	0	0	113.2	Q1026 K1028 T1033 S1034	Q1026-Y1030 PolarHBondContact O-N 3.3Å; K1028-Y1030 PolarHBondContact O-N 3.32Å; Y1030-T1033 PolarHBondContact O-N 2.98Å; Y1030-S1034 WeakPolarHBondContact O-CB 3.31Å; Y1030-S1034 PolarHBondContact O-N 2.97Å; Y1030-S1034 PolarHBondContact O-OG 3.44Å; Y1030-S1034 VanDerWaalsContact O-OG 3.05Å
1031	L	59.2	Low	58.5	Low	111 Å²	111	104.9 Å²	104.9	58%	0.581	60%	0.598	S	S	*	*	H	α-helix	trans	-65.5	-47.9	176.3	-71.6	166.3	0	0	0	111.6	L1027 K1028 T1033 S1034 T1035	L1027-L1031 PolarHBondContact O-N 3.44Å; K1028-L1031 WeakPolarHBondContact O-CA 3.48Å; K1028-L1031 WeakPolarHBondContact O-CB 3.3Å; K1028-L1031 PolarHBondContact O-N 3.03Å; L1031-T1033 VanDerWaalsContact C-N 3.28Å; L1031-T1033 PolarHBondContact O-N 3.03Å; L1031-S1034 WeakPolarHBondContact CA-OG 3.42Å; L1031-S1034 PolarHBondContact O-N 3.17Å; L1031-S1034 VanDerWaalsContact O-N 3.16Å; L1031-S1034 PolarHBondContact O-OG 3.06Å; L1031-T1035 PolarHBondContact O-N 3.36Å; L1031-T1035 PolarHBondContact O-OG1 2.64Å
1032	D	54.5	Low	56.2	Low	108 Å²	108	110.9 Å²	110.9	58%	0.578	64%	0.635	S	S	*	*	H	α-helix	trans	-61.4	-37.4	179.1	-63.1	-37.2	0	0	0	111.3	K1028	K1028-D1032 PolarHBondContact O-N 3.02Å
1033	T	56.9	Low	53.9	Low	93 Å²	93	114.1 Å²	114.1	57%	0.571	66%	0.661	S	S	*	*	H	α-helix	trans	-70.6	-37	176	-52.7	0	0	0	0	112.3	H1029 Y1030 L1031 T1035	H1029-T1033 WeakPolarHBondContact O-CB 3.38Å; H1029-T1033 PolarHBondContact O-N 3.09Å; H1029-T1033 VanDerWaalsContact O-N 3.09Å; H1029-T1033 PolarHBondContact O-OG1 3.14Å; Y1030-T1033 PolarHBondContact O-N 2.98Å; L1031-T1033 VanDerWaalsContact C-N 3.28Å; L1031-T1033 PolarHBondContact O-N 3.03Å; T1033-T1035 VanDerWaalsContact C-N 3.25Å; T1033-T1035 PolarHBondContact O-N 2.87Å
1034	S	54.9	Low	52.1	Low	90 Å²	90	119.4 Å²	119.4	63%	0.629	68%	0.684	S	S	*	*	H	α-helix	trans	-77.2	-2.8	178.9	63.3	0	0	0	0	115.1	Y1030 L1031	Y1030-S1034 WeakPolarHBondContact O-CB 3.31Å; Y1030-S1034 PolarHBondContact O-N 2.97Å; Y1030-S1034 PolarHBondContact O-OG 3.44Å; Y1030-S1034 VanDerWaalsContact O-OG 3.05Å; L1031-S1034 WeakPolarHBondContact CA-OG 3.42Å; L1031-S1034 PolarHBondContact O-N 3.17Å; L1031-S1034 VanDerWaalsContact O-N 3.16Å; L1031-S1034 PolarHBondContact O-OG 3.06Å
1035	T	51.9	Low	50.9	Low	109 Å²	109	117.4 Å²	117.4	67%	0.669	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	2.9	179.3	-43	0	0	0	0	112.8	L1031 T1033	L1031-T1035 PolarHBondContact O-N 3.36Å; L1031-T1035 PolarHBondContact O-OG1 2.64Å; T1033-T1035 VanDerWaalsContact C-N 3.25Å; T1033-T1035 PolarHBondContact O-N 2.87Å
1036	L	43.4	Very low	49.8	Very low	132 Å²	132	122.1 Å²	122.1	69%	0.691	69%	0.694	S	S	*	*	S	Bend	trans	-78.1	130.7	174.8	-77.8	168.9	0	0	0	111.7	G1038	L1036-G1038 PolarHBondContact O-N 2.78Å
1037	P	44.5	Very low	48.8	Very low	123 Å²	123	122 Å²	122	80%	0.799	71%	0.711	S	S	*	*			trans	-64.5	114.8	172	-20.4	32.8	0	0	0	111.2
1038	G	37.3	Very low	47.8	Very low	60 Å²	60	124.8 Å²	124.8	62%	0.619	73%	0.731	S	S	*	*			trans	-66.1	133.4	175.2	0	0	0	0	0	111.9	L1036 V1040	L1036-G1038 PolarHBondContact O-N 2.78Å; G1038-V1040 PolarHBondContact O-N 3.25Å
1039	P	55.7	Low	47.4	Very low	134 Å²	134	124 Å²	124	87%	0.87	74%	0.741	S	S	*	*			trans	-61.6	122.8	173.3	-23.1	34.1	0	0	0	111.6	G1041	P1039-G1041 PolarHBondContact O-N 3.09Å
1040	V	44.1	Very low	47.1	Very low	155 Å²	155	122.9 Å²	122.9	94%	0.939	75%	0.746	S	S	*	*			trans	-78.5	113.6	175.1	-178.7	0	0	0	0	108.8	G1038	G1038-V1040 PolarHBondContact O-N 3.25Å
1041	G	40.8	Very low	46.8	Very low	63 Å²	63	119.7 Å²	119.7	65%	0.649	75%	0.747	S	S	*	*			trans	-175.1	71.8	-174.9	0	0	0	0	0	118.3	P1039	P1039-G1041 PolarHBondContact O-N 3.09Å
1042	V	43.2	Very low	45.9	Very low	141 Å²	141	119.6 Å²	119.6	86%	0.855	76%	0.755	S	S	*	*			trans	58.7	125.5	150.9	-159.4	0	0	0	0	118.8
1043	P	38.7	Very low	45.1	Very low	119 Å²	119	120.4 Å²	120.4	77%	0.773	77%	0.765	S	S	*	*			trans	-84.6	158	178.7	35.5	-36.1	0	0	0	114
1044	L	41	Very low	44.2	Very low	183 Å²	183	121.3 Å²	121.3	96%	0.958	77%	0.774	S	S	*	*			trans	-126.7	159.7	163.6	-102.1	170.6	0	0	0	111.3
1045	N	43.4	Very low	43.6	Very low	143 Å²	143	124.9 Å²	124.9	77%	0.765	78%	0.784	S	S	*	*			trans	-113	163.3	-154.8	-162.7	19.3	0	0	0	114.2
1046	M	38.9	Very low	42.7	Very low	170 Å²	170	125.9 Å²	125.9	84%	0.837	79%	0.785	S	S	*	*			trans	-23.3	131.1	171.3	-63.6	-72.8	168.3	0	0	117.8
1047	A	41.8	Very low	42.8	Very low	104 Å²	104	125 Å²	125	86%	0.86	79%	0.787	S	S	*	*			trans	-161.4	142.9	141.7	0	0	0	0	0	112.9
1048	T	41.5	Very low	42.6	Very low	124 Å²	124	123.2 Å²	123.2	76%	0.761	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-83.9	153	178.2	48.6	0	0	0	0	114
1049	P	51.4	Low	42.6	Very low	125 Å²	125	126.8 Å²	126.8	81%	0.812	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-88.8	124.4	155.6	33.4	-28.5	0	0	0	111.7
1050	P	51.4	Low	41.9	Very low	114 Å²	114	126 Å²	126	74%	0.74	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-93.3	161.6	171.5	36.2	-33.4	0	0	0	113
1051	P	47.7	Very low	41.7	Very low	113 Å²	113	124.8 Å²	124.8	73%	0.734	78%	0.775	S	S	*	*			trans	-99	-177.9	179.5	39.2	-36	0	0	0	114.2
1052	S	40.9	Very low	41.8	Very low	108 Å²	108	127.7 Å²	127.7	76%	0.755	78%	0.782	S	S	*	*			trans	85.5	146.1	172.9	-30.7	0	0	0	0	114.7
1053	T	38.8	Very low	41.5	Very low	126 Å²	126	124.3 Å²	124.3	77%	0.773	78%	0.777	S	S	*	*			cis	-168	178.2	-7.9	13.6	0	0	0	0	109.1
1054	C	38	Very low	41.5	Very low	112 Å²	112	123.9 Å²	123.9	76%	0.757	78%	0.776	S	S	*	*			trans	75.5	149.7	164.1	-61	0	0	0	0	117.1
1055	I	40.8	Very low	41.4	Very low	164 Å²	164	122.3 Å²	122.3	84%	0.841	77%	0.769	S	S	*	*			cis	-150.3	161.1	-1.2	-118.6	160	0	0	0	110.9
1056	D	33.7	Very low	41	Very low	131 Å²	131	125 Å²	125	70%	0.701	78%	0.777	S	S	*	*			trans	-79.3	167.3	-178.7	-155.4	-5	0	0	0	113	S1058	D1056-S1058 PolarHBondContact OD1-N 2.87Å
1057	P	45.2	Very low	40.5	Very low	113 Å²	113	122.2 Å²	122.2	73%	0.734	77%	0.773	S	S	*	*				-155.2	126.9	84	37.9	-15.7	0	0	0	119.3
1058	S	40.3	Very low	40.1	Very low	86 Å²	86	125.2 Å²	125.2	60%	0.601	77%	0.772	S	S	*	*			trans	53.5	109.8	131.9	69.4	0	0	0	0	124.3	D1056	D1056-S1058 PolarHBondContact OD1-N 2.87Å
1059	V	38.3	Very low	39.8	Very low	135 Å²	135	126.7 Å²	126.7	82%	0.818	77%	0.774	S	S	*	*				32.4	138.8	101.6	176.3	0	0	0	0	118.5
1060	P	40.8	Very low	38.8	Very low	117 Å²	117	125.7 Å²	125.7	76%	0.76	77%	0.77	S	S	*	*			cis	-138.5	-179.4	29.2	23.2	4.2	0	0	0	120.3
1061	T	39.8	Very low	37.9	Very low	129 Å²	129	123.1 Å²	123.1	79%	0.791	76%	0.764	S	S	*	*			trans	-53.4	179.5	172	44.3	0	0	0	0	119.5
1062	P	42.4	Very low	37.3	Very low	124 Å²	124	126.9 Å²	126.9	81%	0.805	77%	0.769	S	S	*	*			cis	-139.8	172.2	-35.8	37.5	-20.4	0	0	0	115.4
1063	G	37.3	Very low	36.7	Very low	71 Å²	71	129.1 Å²	129.1	73%	0.732	77%	0.772	S	S	*	*			trans	-173.8	122.4	166.8	0	0	0	0	0	119.1
1064	S	38.9	Very low	36.5	Very low	110 Å²	110	129 Å²	129	77%	0.769	77%	0.772	S	S	*	*			trans	46.1	111.3	155.9	59	0	0	0	0	123.4
1065	N	37.3	Very low	36.2	Very low	150 Å²	150	130.6 Å²	130.6	80%	0.802	77%	0.772	S	S	*	*				66.1	103.8	127.9	-60.1	-2.6	0	0	0	123
1066	Q	36.3	Very low	35.9	Very low	200 Å²	200	130.2 Å²	130.2	94%	0.935	77%	0.772	S	S	*	*				53.3	130.6	127.6	-67.9	-174.8	-20	0	0	121.5
1067	C	28.3	Very low	36.1	Very low	111 Å²	111	130 Å²	130	75%	0.75	78%	0.778	S	S	*	*			trans	-126.1	143.4	176.6	178.5	0	0	0	0	110.6
1068	I	34.1	Very low	35.6	Very low	166 Å²	166	127.9 Å²	127.9	85%	0.851	78%	0.777	S	S	*	*			trans	-130.4	143.2	153.5	-71.2	-172.8	0	0	0	107.7
1069	I	34.2	Very low	35.2	Very low	155 Å²	155	131.7 Å²	131.7	80%	0.795	79%	0.79	S	S	*	*			trans	-78.1	149.2	-159.7	-66.4	164.8	0	0	0	113
1070	S	31.1	Very low	35.1	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	80%	0.796	S	S	*	*			trans	-147.8	147.5	171.9	60.7	0	0	0	0	112.3
1071	G	32.1	Very low	34.7	Very low	59 Å²	59	131.3 Å²	131.3	61%	0.608	80%	0.801	S	S	*	*			trans	69.2	168.6	176.2	0	0	0	0	0	115.2
1072	F	34.2	Very low	34.6	Very low	193 Å²	193	130.7 Å²	130.7	85%	0.846	80%	0.802	S	S	*	*			cis	-140.1	148.2	-8.3	-74.5	-98.1	0	0	0	106.5
1073	L	28.8	Very low	34.3	Very low	155 Å²	155	133.3 Å²	133.3	81%	0.812	80%	0.804	S	S	*	*			cis	66	77	22.8	-86.9	179.4	0	0	0	117.2
1074	T	33.9	Very low	34.1	Very low	124 Å²	124	137.5 Å²	137.5	76%	0.761	81%	0.808	S	S	*	*			trans	-155.7	115.2	138.5	29.2	0	0	0	0	107.3
1075	N	33	Very low	33.8	Very low	145 Å²	145	141 Å²	141	78%	0.775	81%	0.812	S	S	*	*				76.4	101.2	83.7	-75.2	-13.7	0	0	0	115.4
1076	N	34.2	Very low	33.8	Very low	155 Å²	155	138.4 Å²	138.4	83%	0.829	80%	0.803	S	S	*	*			trans	1	148.5	135.3	-114.5	-15.1	0	0	0	117.6
1077	P	38.7	Very low	33.6	Very low	128 Å²	128	136.9 Å²	136.9	83%	0.831	80%	0.796	S	S	*	*				-151	177.3	60.5	42.2	-24.3	0	0	0	117.4
1078	G	34.2	Very low	33.8	Very low	68 Å²	68	138.7 Å²	138.7	70%	0.701	79%	0.793	S	S	*	*			trans	135.1	105.9	138.7	0	0	0	0	0	117.5
1079	N	31.6	Very low	33.5	Very low	165 Å²	165	137.3 Å²	137.3	88%	0.882	79%	0.786	S	S	*	*			trans	-64.1	140.7	166.7	-72	-31.7	0	0	0	112.5
1080	C	35	Very low	33.4	Very low	140 Å²	140	136.7 Å²	136.7	95%	0.946	78%	0.784	S	S	*	*			trans	-133.6	137.5	138	-88.1	0	0	0	0	108.3
1081	A	32.8	Very low	33.3	Very low	104 Å²	104	139.5 Å²	139.5	86%	0.86	79%	0.785	S	S	*	*			trans	-117.7	144.6	-162.2	0	0	0	0	0	113.6
1082	S	39.3	Very low	33.4	Very low	117 Å²	117	144.9 Å²	144.9	82%	0.818	79%	0.794	S	S	*	*			trans	-127.8	110.6	170.8	57.3	0	0	0	0	111.4
1083	Q	34.9	Very low	33.1	Very low	179 Å²	179	142.8 Å²	142.8	84%	0.836	79%	0.787	S	S	*	*			trans	-5	140.9	146.9	-66.1	166.5	-2.6	0	0	116.9
1084	L	33.6	Very low	33.5	Very low	158 Å²	158	141.6 Å²	141.6	83%	0.827	79%	0.789	S	S	*	*			cis	-133.6	144.7	3.4	-61.3	89.2	0	0	0	108.3
1085	H	32.9	Very low	33.4	Very low	185 Å²	185	143 Å²	143	86%	0.856	79%	0.787	S	S	*	*				76.1	136.8	55.8	-127.2	76.1	0	0	0	115.4
1086	P	37.1	Very low	33.1	Very low	95 Å²	95	140.9 Å²	140.9	62%	0.617	79%	0.789	S	S	*	*			trans	-126.8	-171.9	-154.8	41.5	-24.1	0	0	0	116.2
1087	Q	31.6	Very low	33	Very low	167 Å²	167	140 Å²	140	78%	0.78	79%	0.79	S	S	*	*			trans	84.6	146.4	160.9	-70.6	-166.5	11.6	0	0	121.3
1088	H	31.8	Very low	32.4	Very low	150 Å²	150	139 Å²	139	69%	0.694	79%	0.785	S	S	*	*			trans	71.9	126	151.9	-90.1	-124.2	0	0	0	121.7
1089	I	29.3	Very low	32.2	Very low	136 Å²	136	145.3 Å²	145.3	70%	0.697	79%	0.794	S	S	*	*			trans	52.3	109.1	140.3	-55.1	174.6	0	0	0	117.6
1090	L	31.2	Very low	32	Very low	143 Å²	143	142.1 Å²	142.1	75%	0.749	79%	0.785	S	S	*	*				-169.5	164.7	92.8	-160.8	62.7	0	0	0	110.7
1091	Q	29.8	Very low	31.8	Very low	163 Å²	163	141.1 Å²	141.1	76%	0.762	77%	0.774	S	S	*	*			trans	-67.1	147.8	159.5	-61.9	161.6	-37.4	0	0	110.2
1092	H	33.8	Very low	31.8	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.796	77%	0.77	S	S	*	*				-175.1	160.2	127.6	-98.8	-63.1	0	0	0	111.6
1093	Q	27.4	Very low	31.3	Very low	149 Å²	149	145 Å²	145	70%	0.696	77%	0.765	S	S	*	*			trans	-90.8	156.2	-178.3	-51.1	164	-56.9	0	0	111.6	Q1095	Q1093-Q1095 HydrophobicContact CB-CG 4.3Å
1094	P	37.7	Very low	31.2	Very low	130 Å²	130	142.9 Å²	142.9	84%	0.844	76%	0.76	S	S	*	*			trans	-107.6	87	130	31.9	-24.9	0	0	0	107.5
1095	Q	30.5	Very low	31.1	Very low	155 Å²	155	142 Å²	142	72%	0.724	75%	0.751	S	S	*	*				51.2	114.7	93.5	-67.7	-158.8	-5.3	0	0	113.4	Q1093 T1097	Q1093-Q1095 HydrophobicContact CB-CG 4.3Å; Q1095-T1097 PolarHBondContact O-N 3.01Å
1096	A	27.8	Very low	31	Very low	99 Å²	99	140.9 Å²	140.9	82%	0.818	75%	0.746	S	S	*	*			trans	-71.9	125.2	171.8	0	0	0	0	0	110.3	S1098	A1096-S1098 PolarHBondContact O-N 2.97Å
1097	T	31.8	Very low	30.9	Very low	138 Å²	138	140.5 Å²	140.5	85%	0.847	75%	0.751	S	S	*	*			trans	-93	86.5	164	54.3	0	0	0	0	109.1	Q1095	Q1095-T1097 PolarHBondContact O-N 3.01Å
1098	S	26.7	Very low	30.9	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	76%	0.756	S	S	*	*			trans	-63.9	133.8	162.2	47.3	0	0	0	0	109.5	A1096	A1096-S1098 PolarHBondContact O-N 2.97Å
1099	F	30.4	Very low	31.3	Very low	202 Å²	202	138.1 Å²	138.1	89%	0.886	76%	0.761	S	S	*	*			trans	-124	108.9	154	-112.8	-88.8	0	0	0	108.2
1100	S	26.5	Very low	31.6	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	77%	0.767	S	S	*	*			trans	-83.7	-153	167.1	52.5	0	0	0	0	109.2
1101	V	30.6	Very low	31.9	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.715	77%	0.768	S	S	*	*			trans	75.3	107.2	-179.3	-174.1	0	0	0	0	111.9
1102	L	33.8	Very low	32.3	Very low	150 Å²	150	137.1 Å²	137.1	79%	0.785	77%	0.774	S	S	*	*			cis	-136.2	151.7	-0.7	-67.6	123.5	0	0	0	107.7
1103	Q	28.8	Very low	32.4	Very low	153 Å²	153	134.7 Å²	134.7	72%	0.715	77%	0.774	S	S	*	*			cis	73.5	88	33.9	-159.9	172	16.5	0	0	115.6
1104	N	33.1	Very low	32.8	Very low	135 Å²	135	133.4 Å²	133.4	72%	0.722	78%	0.782	S	S	*	*			trans	-169.7	131.9	132.7	-86.6	-12.7	0	0	0	106.1
1105	Q	29.6	Very low	32.6	Very low	139 Å²	139	133.7 Å²	133.7	65%	0.65	78%	0.781	S	S	*	*				63.1	128.1	64.4	-68.2	-177.1	-36.2	0	0	111.6
1106	E	32.7	Very low	32.8	Very low	162 Å²	162	134.4 Å²	134.4	76%	0.757	79%	0.789	S	S	*	*			cis	-160.3	172.3	9.9	-136.3	162.9	-154.3	0	0	114.7
1107	A	34.3	Very low	33.2	Very low	87 Å²	87	138.2 Å²	138.2	72%	0.719	79%	0.79	S	S	*	*			trans	51.3	113	151.4	0	0	0	0	0	121.7
1108	T	30.8	Very low	33.2	Very low	143 Å²	143	137.8 Å²	137.8	88%	0.877	79%	0.79	S	S	*	*			trans	-111.7	126.9	144.7	53.1	0	0	0	0	110.3
1109	P	41.5	Very low	33.6	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	79%	0.794	S	S	*	*			trans	-101.2	146.4	160.3	34.7	-28.5	0	0	0	111.7
1110	S	34.2	Very low	33.6	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	79%	0.792	S	S	*	*			trans	-91.9	150.4	179	57.4	0	0	0	0	113.4
1111	S	38.9	Very low	33.8	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	80%	0.799	S	S	*	*			trans	-170.7	106	133.4	57.3	0	0	0	0	115.1
1112	Q	36.6	Very low	33.8	Very low	194 Å²	194	139.8 Å²	139.8	91%	0.907	80%	0.797	S	S	*	*			trans	55.5	158.6	144.6	-67.2	-161.5	-11.6	0	0	123
1113	P	36.5	Very low	33.7	Very low	121 Å²	121	138.7 Å²	138.7	79%	0.786	79%	0.792	S	S	*	*			trans	-118	167.2	-168.6	42.1	-30	0	0	0	115.1
1114	S	36.6	Very low	33.7	Very low	123 Å²	123	139.6 Å²	139.6	86%	0.86	79%	0.794	S	S	*	*			trans	-143.4	153.9	155.5	56.8	0	0	0	0	111
1115	T	33.5	Very low	33.7	Very low	136 Å²	136	141 Å²	141	83%	0.834	80%	0.8	S	S	*	*			trans	-85.5	144.2	-166.4	40.5	0	0	0	0	114.1
1116	L	34.8	Very low	33.7	Very low	170 Å²	170	140 Å²	140	89%	0.89	80%	0.803	S	S	*	*			trans	-168.7	176.8	131	-102.9	160.2	0	0	0	111.7
1117	Q	36.3	Very low	33.7	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	81%	0.81	S	S	*	*			trans	-80.8	156.2	-159.8	-76.1	-177.8	-29.2	0	0	115.9
1118	P	32.1	Very low	33.4	Very low	129 Å²	129	149.8 Å²	149.8	84%	0.838	82%	0.815	S	S	*	*			trans	-89.1	157.6	-171	35.9	-37	0	0	0	114.7
1119	S	33.2	Very low	33.4	Very low	118 Å²	118	149 Å²	149	83%	0.825	81%	0.813	S	S	*	*			trans	-140.5	162.6	157.5	62	0	0	0	0	109.9
1120	N	30.4	Very low	32.7	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	81%	0.812	S	S	*	*			trans	-69.9	142.9	-165.4	-46.4	-63.4	0	0	0	113.3
1121	Q	31.3	Very low	32.5	Very low	181 Å²	181	153.8 Å²	153.8	85%	0.846	84%	0.837	S	S	*	*				-167.4	166.4	112.3	-106.9	169.1	-0.6	0	0	114.1
1122	T	30.5	Very low	32.2	Very low	109 Å²	109	156 Å²	156	67%	0.669	84%	0.84	S	S	*	*			trans	-34.9	160.3	160	26.9	0	0	0	0	115.6
1123	D	31.7	Very low	31.9	Very low	128 Å²	128	154 Å²	154	68%	0.684	84%	0.836	S	S	*	*			cis	-159.2	-179.5	34.2	-122.6	-29.6	0	0	0	115.8
1124	F	29.2	Very low	31.7	Very low	172 Å²	172	155.8 Å²	155.8	75%	0.754	84%	0.839	S	S	*	*			trans	2.1	136.7	161.2	-79.8	-101.3	0	0	0	121.2
1125	I	32.3	Very low	31.4	Very low	165 Å²	165	157.8 Å²	157.8	85%	0.846	84%	0.838	S	S	*	*				-169.4	151.4	110.7	-99.8	159.5	0	0	0	112.4
1126	T	30.6	Very low	31.2	Very low	118 Å²	118	159.1 Å²	159.1	72%	0.724	84%	0.838	S	S	*	*			trans	-105.3	134.4	-173.7	-48.1	0	0	0	0	114
1127	R	33	Very low	31	Very low	237 Å²	237	158.4 Å²	158.4	89%	0.894	84%	0.835	S	S	*	*			trans	-170.5	129.3	155.9	-93	146.3	-164	-131.2	6.9	106.5
1128	R	28.2	Very low	30.6	Very low	217 Å²	217	156.9 Å²	156.9	82%	0.819	84%	0.835	S	S	*	*			cis	90	68.1	19.7	-151.7	-170.8	-163.2	-165.6	6.2	116.9
1129	C	29.9	Very low	30.5	Very low	125 Å²	125	159.1 Å²	159.1	85%	0.845	84%	0.835	S	S	*	*			trans	-135.5	134.1	141.8	-68	0	0	0	0	105
1130	I	28	Very low	30.3	Very low	152 Å²	152	162.5 Å²	162.5	78%	0.779	84%	0.835	S	S	*	*			cis	73.6	84.1	39.5	-50.2	178.1	0	0	0	112.7
1131	S	28.6	Very low	30.3	Very low	190 Å²	190	163.1 Å²	163.1	100%	1.329	84%	0.835	S	S	*	*			trans	-139.5	0	138.5	62.8	0	0	0	0	107

Retrieved 1,131 of 1,131 residues in 305.3 ms (Link to these results)

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