A0A087Y3G6_POEFO Loading...

Zinc finger protein 711

Transcription regulator required for brain development. Probably acts as a transcription factor that binds to the promoter of target genes and recruits PHF8 histone demethylase, leading to activated expression of genes involved in neuron development, such as KDM5C. May compete with transcription factor ARX for activation of expression of KDM5C.

AlphaFold DB , UniProt , Accession A0A087Y3G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 877 aa.

						>A0A087Y3G6_POEFO|A0A087Y3G6
MDQGGGVLELHTQELKMPHAMIMQDFVAGMGGLAHIDGEHIVVSVPEGMLLSDVMTDEGILLEHELEVEGLETQVVQGLETEVVEGLETEVVEGLHADVEGLEAEVVEGLQTHVVELEAQVVEDLEGEVEVEGLEAQVVEGLEAEVDVEALEAHVVEGLEEEVEVHGLEAEGVEGLEVDVESLQAQAVEAHELTSEDMVPPGHSVIMPENILGTEVAIEEALDAHHHHVLTADLIQDSNHHHHDDMQDQVFVAELLSEPEHQGNTLDHQLVSEGLMVAEANTETIIHQQLPTEEVPLQTDEEDDARSSSEDYLMISLDEVGEKLDIGDTPLEISTEVMEDKEIKEEEDSEVIKVYIFKAEADDDLGGTEVITEDDYQNGHPDLEAASSGRLGVGRDKMVYMAVKNTIKEEEDEAEDDDDDDDDDDDEESDDDDDDSDEIGNTIDQVKNGVATPFLQIREGLGTNRAIKPKPKKNKKGETRQCQTAVIIGPDGMPLTVYPCHICGKKFRSRGFLKCHMKNHPDHLLKKKYQCTDCDFTTNKKVSFHNHLESHKLLSHNTERSPEYTEYTRRYHESSPLGSDKLIVKDREPKLHHCKYCDYETAEQGLLNRHLLAVHSKNFAHVCVECAKGFRHPSELKKHMRTHTGEKPYQCPHCEFRCADQSNLKTHIKSKHGADLPFKCSHCPQAYADARELQRHIEMVQGHKTHQCPHCEHKSTNSSDLKRHIISVHTKDFPHQCDVCEKGFHRPSELKKHAETHKGNKVHQCRHCNFNAPDTFTLSRHILSLHTKDLPFKCKRCRRGFRQPAELKKHMKTHSGRKVYQCQYCEYNSTDASGFKRHVISIHTKDYPHRCDYCTKGFRRPSEKSQHIARHHKDMLM
					

Structure Viewer

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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	31.5	Very low	231 Å²	231	150.5 Å²	150.5	100%	1.138	88%	0.878	S	S	*	*				0	96.7	0	-93.7	-176.7	166.4	0	0	104.9
2	D	29.1	Very low	31.3	Very low	157 Å²	157	148.8 Å²	148.8	84%	0.84	87%	0.872	S	S	*	*			trans	-133.1	122.2	-158.4	-63.1	-85.4	0	0	0	110.6
3	Q	34.5	Very low	31.4	Very low	199 Å²	199	152 Å²	152	93%	0.93	87%	0.873	S	S	*	*			trans	-138.4	121	170.4	-80.5	-170.2	-18.6	0	0	108.7
4	G	32.3	Very low	31.2	Very low	88 Å²	88	153.9 Å²	153.9	91%	0.907	87%	0.87	S	S	*	*			trans	76.4	120.1	143.4	0	0	0	0	0	119.1
5	G	29.9	Very low	31.2	Very low	89 Å²	89	153.4 Å²	153.4	92%	0.918	86%	0.863	S	S	*	*			trans	144.5	96.7	139.3	0	0	0	0	0	116.6
6	G	28.5	Very low	31.1	Very low	72 Å²	72	155.3 Å²	155.3	74%	0.742	86%	0.859	S	S	*	*			trans	149.6	112.2	154.4	0	0	0	0	0	116.9
7	V	30.8	Very low	31.2	Very low	138 Å²	138	155 Å²	155	84%	0.836	85%	0.852	S	S	*	*			trans	63.5	120	155.3	-167.3	0	0	0	0	117.7
8	L	29.7	Very low	31.6	Very low	158 Å²	158	152.8 Å²	152.8	83%	0.827	85%	0.846	S	S	*	*			trans	-112	123.5	162.6	-75.7	166	0	0	0	108.5
9	E	30.7	Very low	31.6	Very low	183 Å²	183	154.6 Å²	154.6	86%	0.855	85%	0.848	S	S	*	*			trans	-99.2	131.9	154.1	-69.7	-173.9	126.3	0	0	107.6
10	L	31.1	Very low	31.8	Very low	147 Å²	147	150.8 Å²	150.8	77%	0.77	84%	0.837	S	S	*	*			trans	-123.8	120	172.7	-78.9	172.3	0	0	0	109.4
11	H	32.3	Very low	32	Very low	193 Å²	193	151.2 Å²	151.2	89%	0.894	84%	0.835	S	S	*	*			trans	-67	139.1	165.3	-92.5	58	0	0	0	110
12	T	29.9	Very low	32.1	Very low	131 Å²	131	148 Å²	148	80%	0.804	82%	0.821	S	S	*	*			trans	-122.2	136.9	163.7	50.1	0	0	0	0	109.7
13	Q	32.8	Very low	32.3	Very low	190 Å²	190	149.7 Å²	149.7	89%	0.888	83%	0.826	S	S	*	*			trans	-68	148.8	170.1	-60.8	163.9	-40.4	0	0	110.3
14	E	28.3	Very low	32.3	Very low	179 Å²	179	148.4 Å²	148.4	84%	0.836	82%	0.82	S	S	*	*			trans	176.6	153	154.3	-100.6	-167.8	-175.7	0	0	107.9
15	L	30.7	Very low	32.4	Very low	146 Å²	146	152.2 Å²	152.2	76%	0.764	82%	0.819	S	S	*	*			cis	-155.5	-170.5	-22	-131.8	175.7	0	0	0	109.1
16	K	29.7	Very low	32.7	Very low	184 Å²	184	157.5 Å²	157.5	80%	0.8	82%	0.818	S	S	*	*			trans	-89	168.8	-176.2	-66.9	176.8	177.3	177.2	0	113.7
17	M	32.3	Very low	33.2	Very low	150 Å²	150	160 Å²	160	74%	0.739	82%	0.818	S	S	*	*			trans	85.2	150.3	166.3	-51.1	-148	-70.4	0	0	115.9
18	P	38.9	Very low	33.6	Very low	115 Å²	115	158.7 Å²	158.7	75%	0.747	82%	0.822	S	S	*	*				-123.3	128.9	74.3	36.2	-28.4	0	0	0	114.7
19	H	32.3	Very low	34.1	Very low	188 Å²	188	154.6 Å²	154.6	87%	0.87	82%	0.818	S	S	*	*			trans	-136.2	18.9	160.6	-123.4	115.5	0	0	0	112.4
20	A	35.1	Very low	34.3	Very low	77 Å²	77	154.4 Å²	154.4	64%	0.636	82%	0.819	S	S	*	*			trans	-135.7	75.5	-173.4	0	0	0	0	0	111.4
21	M	35.1	Very low	34.8	Very low	160 Å²	160	151.9 Å²	151.9	79%	0.788	83%	0.829	S	S	*	*			trans	-142.2	34.9	172.1	-75.2	-155.3	75.7	0	0	112.8
22	I	40.5	Very low	35.1	Very low	165 Å²	165	145.9 Å²	145.9	85%	0.846	82%	0.819	S	S	*	*	S	Bend	trans	-138.1	58.7	172.5	-43.4	178.9	0	0	0	110.7
23	M	33.3	Very low	35.8	Very low	191 Å²	191	147.5 Å²	147.5	94%	0.941	82%	0.822	S	S	*	*	S	Bend	trans	-165.3	62.3	156	-83.5	-139.5	-64.2	0	0	109.8
24	Q	34.1	Very low	36.1	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	80%	0.803	S	S	*	*	S	Bend	trans	-140.6	-2.1	177	-136.1	167.4	7.4	0	0	115.9
25	D	35.2	Very low	37.2	Very low	168 Å²	168	140 Å²	140	90%	0.898	80%	0.796	S	S	*	*	S	Bend	trans	-114.5	39.6	-178.5	-69.8	-52	0	0	0	113.4
26	F	36.3	Very low	37.9	Very low	200 Å²	200	138.4 Å²	138.4	88%	0.877	79%	0.788	S	S	*	*	S	Bend	trans	-129.2	0.5	178.4	-148.3	-100.6	0	0	0	116.2
27	V	37.5	Very low	38.2	Very low	125 Å²	125	136.1 Å²	136.1	76%	0.758	78%	0.784	S	S	*	*			trans	-134.7	63.6	173.4	-165.3	0	0	0	0	111
28	A	40	Very low	39.6	Very low	110 Å²	110	131.9 Å²	131.9	91%	0.909	78%	0.779	S	S	*	*			trans	-106.6	60.7	167.6	0	0	0	0	0	109.6
29	G	39.8	Very low	40.1	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	79%	0.787	S	S	*	*	S	Bend	trans	-170.9	0.5	-168.4	0	0	0	0	0	120.1
30	M	34.8	Very low	40.4	Very low	178 Å²	178	133.4 Å²	133.4	88%	0.877	78%	0.776	S	S	*	*			trans	-148.7	127.9	171	-95.9	164.8	86	0	0	110
31	G	42.1	Very low	41.1	Very low	95 Å²	95	135.7 Å²	135.7	98%	0.979	78%	0.777	S	S	*	*			trans	-89.7	106.1	-177.7	0	0	0	0	0	112.2
32	G	39.3	Very low	41.5	Very low	67 Å²	67	132.3 Å²	132.3	69%	0.691	77%	0.765	S	S	*	*			trans	-149.6	142.8	171.8	0	0	0	0	0	110.7
33	L	42.8	Very low	42.1	Very low	165 Å²	165	129.1 Å²	129.1	86%	0.864	75%	0.753	S	S	*	*			trans	-90.8	117.3	175.5	-78.8	166.9	0	0	0	109.6
34	A	39.9	Very low	42.3	Very low	60 Å²	60	124.7 Å²	124.7	50%	0.496	74%	0.741	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.8	143.4	163.9	0	0	0	0	0	109.2	I41 V43	A34-I41 HydrophobicContact CB-CG2 4.26Å; A34-V43 HydrophobicContact CB-CG2 4.13Å
35	H	51.4	Low	42.6	Very low	150 Å²	150	122.4 Å²	122.4	69%	0.694	74%	0.738	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.3	152.8	169.3	-162.8	-85.4	0	0	0	109.5	V42	H35-V42 PolarHBondContact O-N 3.43Å
36	I	45.7	Very low	42.5	Very low	113 Å²	113	120.2 Å²	120.2	58%	0.579	73%	0.733	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.3	128	179	-55.7	174.4	0	0	0	107.4	G38	I36-G38 WeakPolarHBondContact CG2-O 3.45Å
37	D	35	Very low	42.4	Very low	136 Å²	136	120 Å²	120	73%	0.727	74%	0.735	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.8	111.8	169.8	-164.4	8.5	0	0	0	108.8	E39 H40	D37-E39 PolarHBondContact O-N 3.15Å; D37-H40 PolarHBondContact N-O 2.98Å; D37-H40 PolarHBondContact O-N 3.1Å
38	G	63	Low	42.3	Very low	62 Å²	62	117.3 Å²	117.3	64%	0.639	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.8	-134.5	-165.9	0	0	0	0	0	113	I36 H40	I36-G38 WeakPolarHBondContact CG2-O 3.45Å; G38-H40 VanDerWaalsContact C-N 3.29Å; G38-H40 PolarHBondContact O-N 3.29Å
39	E	49.1	Very low	42	Very low	195 Å²	195	121.2 Å²	121.2	91%	0.911	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	9	-175.9	-59.7	-173.2	134.6	0	0	114.2	D37	D37-E39 PolarHBondContact O-N 3.15Å
40	H	39	Very low	41.7	Very low	139 Å²	139	125.2 Å²	125.2	64%	0.644	74%	0.738	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.1	141.7	-177.3	-65.4	78.8	0	0	0	112.2	D37 G38	D37-H40 PolarHBondContact N-O 2.98Å; D37-H40 PolarHBondContact O-N 3.1Å; G38-H40 VanDerWaalsContact C-N 3.29Å; G38-H40 PolarHBondContact O-N 3.29Å
41	I	49.8	Very low	41.7	Very low	125 Å²	125	124.4 Å²	124.4	64%	0.641	74%	0.736	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100	119.5	172.4	-56.7	176.3	0	0	0	108.2	A34 V43	A34-I41 HydrophobicContact CB-CG2 4.26Å; I41-V43 HydrophobicContact CG2-CG2 4.28Å
42	V	43.7	Very low	41.4	Very low	89 Å²	89	124 Å²	124	54%	0.539	72%	0.719	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	129.1	176.1	-177.4	0	0	0	0	109.2	H35	H35-V42 PolarHBondContact O-N 3.43Å
43	V	52.6	Low	40.9	Very low	99 Å²	99	127.9 Å²	127.9	60%	0.6	72%	0.723	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.6	115.2	177.8	-176.5	0	0	0	0	108.5	A34 I41	A34-V43 HydrophobicContact CB-CG2 4.13Å; I41-V43 HydrophobicContact CG2-CG2 4.28Å
44	S	37.2	Very low	40.2	Very low	97 Å²	97	125.9 Å²	125.9	68%	0.678	72%	0.718	S	S	*	*			trans	-93.9	124.1	178.9	-55.8	0	0	0	0	110.9
45	V	39.8	Very low	39.6	Very low	125 Å²	125	131.4 Å²	131.4	76%	0.758	74%	0.735	S	S	*	*			trans	-109.8	122.5	172.8	-178.2	0	0	0	0	108.5
46	P	33.7	Very low	38.9	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	74%	0.738	S	S	*	*			trans	-74.2	138.8	176.9	-16.8	31.4	0	0	0	112.6
47	E	33.9	Very low	38.1	Very low	196 Å²	196	131.5 Å²	131.5	92%	0.916	75%	0.747	S	S	*	*			trans	-84.2	136.8	170.6	-65	-176.5	119.5	0	0	112.1
48	G	36.5	Very low	38.1	Very low	68 Å²	68	133.7 Å²	133.7	70%	0.701	75%	0.753	S	S	*	*			trans	72.5	96.4	145.7	0	0	0	0	0	119.9
49	M	32.5	Very low	36.5	Very low	192 Å²	192	133.4 Å²	133.4	95%	0.946	75%	0.75	S	S	*	*			trans	-132.9	149.9	135.5	-79.4	-160.4	70.5	0	0	109.6
50	L	34.2	Very low	35.6	Very low	155 Å²	155	132.5 Å²	132.5	81%	0.812	75%	0.749	S	S	*	*			trans	-129	169.5	-158.8	-67.5	168.4	0	0	0	113
51	L	33.8	Very low	35.1	Very low	162 Å²	162	133.2 Å²	133.2	85%	0.848	76%	0.757	S	S	*	*			trans	74.4	145.6	163.7	-65.3	162.7	0	0	0	116
52	S	36.3	Very low	34	Very low	87 Å²	87	134.4 Å²	134.4	61%	0.608	76%	0.764	S	S	*	*			cis	-162	153.5	-1	41.5	0	0	0	0	112.7
53	D	29.2	Very low	33.3	Very low	147 Å²	147	137 Å²	137	79%	0.786	77%	0.771	S	S	*	*			trans	54.1	129.6	148.9	-50	-17.9	0	0	0	121.8
54	V	28.1	Very low	32.1	Very low	123 Å²	123	139.4 Å²	139.4	75%	0.745	78%	0.775	S	S	*	*				-169.4	120.7	97.7	150	0	0	0	0	111.4
55	M	27.7	Very low	31.6	Very low	176 Å²	176	142 Å²	142	87%	0.867	78%	0.776	S	S	*	*			trans	30.1	144.6	150.5	-57.1	-176.8	-67.7	0	0	123.5
56	T	35.9	Very low	31	Very low	123 Å²	123	142.1 Å²	142.1	76%	0.755	77%	0.772	S	S	*	*			trans	-79.1	171.2	170.3	51	0	0	0	0	113.4
57	D	28.2	Very low	30.6	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	77%	0.771	S	S	*	*				-165.8	146.9	121.7	-96.3	-12.4	0	0	0	111.9
58	E	36.1	Very low	30.3	Very low	181 Å²	181	140.9 Å²	140.9	85%	0.846	76%	0.764	S	S	*	*			trans	54.7	136.7	173.7	-53.1	-59	158.6	0	0	118.8
59	G	28.4	Very low	29.9	Very low	57 Å²	57	146.3 Å²	146.3	59%	0.588	77%	0.771	S	S	*	*			cis	164.6	155.5	-4.9	0	0	0	0	0	112.2
60	I	32	Very low	29.6	Very low	175 Å²	175	140.2 Å²	140.2	90%	0.897	76%	0.758	S	S	*	*			trans	79.7	146.9	169.4	-52.5	173.3	0	0	0	116.8
61	L	27.1	Very low	29.2	Very low	155 Å²	155	140.6 Å²	140.6	81%	0.812	76%	0.759	S	S	*	*			trans	-133.3	-175.9	-173.9	-99.7	173.1	0	0	0	110.6
62	L	27.9	Very low	28.8	Very low	150 Å²	150	140.1 Å²	140.1	79%	0.785	75%	0.753	S	S	*	*			trans	85.1	147.1	174.3	-51.7	172.7	0	0	0	114.9
63	E	27.8	Very low	28.3	Very low	144 Å²	144	141.2 Å²	141.2	67%	0.673	76%	0.756	S	S	*	*			cis	143.9	130	-19.5	-104.4	-164.4	-156.1	0	0	107.3
64	H	28.8	Very low	28.2	Very low	148 Å²	148	142.4 Å²	142.4	69%	0.685	76%	0.757	S	S	*	*			trans	60.2	158.6	165.6	-57.9	105.4	0	0	0	114.9
65	E	26	Very low	28.1	Very low	152 Å²	152	142 Å²	142	71%	0.71	76%	0.755	S	S	*	*			cis	-155.4	179.7	-19.6	-128.1	171.2	-175.1	0	0	109.8
66	L	26.1	Very low	28	Very low	127 Å²	127	139.3 Å²	139.3	67%	0.665	75%	0.748	S	S	*	*			trans	53.5	109.6	151	-66.6	166	0	0	0	121.9
67	E	26.1	Very low	27.5	Very low	169 Å²	169	141.9 Å²	141.9	79%	0.79	75%	0.751	S	S	*	*				73.3	163.9	108.7	-141.6	164.1	-117.3	0	0	122.7
68	V	28.4	Very low	27.5	Very low	125 Å²	125	138.1 Å²	138.1	76%	0.758	75%	0.746	S	S	*	*			trans	81.5	149.5	165.6	-172.1	0	0	0	0	119.7
69	E	27.6	Very low	27.1	Very low	181 Å²	181	136.1 Å²	136.1	85%	0.846	74%	0.741	S	S	*	*			trans	-76.1	156.2	-159.8	-54.2	165.8	123	0	0	116.8
70	G	25.1	Very low	27.1	Very low	65 Å²	65	140.6 Å²	140.6	67%	0.67	75%	0.746	S	S	*	*				73.1	115.7	114.5	0	0	0	0	0	121.4
71	L	26.3	Very low	26.9	Very low	162 Å²	162	138 Å²	138	85%	0.848	74%	0.739	S	S	*	*			trans	69	156.2	156.9	-46.7	178.1	0	0	0	115.2
72	E	25.2	Very low	27.2	Very low	153 Å²	153	139 Å²	139	72%	0.715	74%	0.739	S	S	*	*			cis	-155.8	143.9	-21	-125.5	-174.6	175.6	0	0	111.6
73	T	25.4	Very low	27.2	Very low	109 Å²	109	137 Å²	137	67%	0.669	73%	0.733	S	S	*	*			trans	66.8	159.9	156.6	74.7	0	0	0	0	121.7
74	Q	27.6	Very low	27.2	Very low	173 Å²	173	135.6 Å²	135.6	81%	0.808	73%	0.734	S	S	*	*			trans	74.5	144.8	156.7	-70	-174.7	52	0	0	121
75	V	25.5	Very low	27.2	Very low	115 Å²	115	137.4 Å²	137.4	70%	0.697	74%	0.743	S	S	*	*			cis	-168.6	136.5	-33.7	108	0	0	0	0	111
76	V	25.8	Very low	27.2	Very low	119 Å²	119	133.3 Å²	133.3	72%	0.721	74%	0.741	S	S	*	*			trans	67.9	152.3	155.8	171.2	0	0	0	0	114.7
77	Q	27.1	Very low	27.3	Very low	176 Å²	176	134.5 Å²	134.5	82%	0.822	75%	0.748	S	S	*	*			cis	-158.1	160.2	43.8	-154.2	148.1	66.6	0	0	114.9	L79	Q77-L79 HydrophobicContact CG-CD1 4.33Å
78	G	27.6	Very low	27.4	Very low	65 Å²	65	134.5 Å²	134.5	67%	0.67	75%	0.748	S	S	*	*			trans	119.1	82.1	176.2	0	0	0	0	0	112
79	L	27.3	Very low	27.5	Very low	138 Å²	138	134.6 Å²	134.6	72%	0.723	75%	0.749	S	S	*	*				63.8	129.4	66.1	-52.1	176.1	0	0	0	112.2	Q77	Q77-L79 HydrophobicContact CG-CD1 4.33Å
80	E	28.4	Very low	27.5	Very low	152 Å²	152	135.3 Å²	135.3	71%	0.71	75%	0.752	S	S	*	*			cis	-154.1	146.3	13.7	-131.2	150.9	-135.3	0	0	113.6
81	T	28.8	Very low	27.7	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	76%	0.758	S	S	*	*			trans	21.8	138.3	149.3	58.6	0	0	0	0	121.6
82	E	32.3	Very low	27.8	Very low	176 Å²	176	137.3 Å²	137.3	82%	0.822	76%	0.757	S	S	*	*				-172.3	168.1	69.8	-87.6	-158.4	121.6	0	0	109.6
83	V	28.6	Very low	27.9	Very low	109 Å²	109	138.8 Å²	138.8	66%	0.661	76%	0.764	S	S	*	*			cis	-166	144.4	-1.4	118.4	0	0	0	0	111.2
84	V	27.8	Very low	27.9	Very low	113 Å²	113	136.8 Å²	136.8	69%	0.685	77%	0.765	S	S	*	*			trans	34.8	137.7	136.2	173.9	0	0	0	0	120.3
85	E	27.4	Very low	27.8	Very low	187 Å²	187	137.1 Å²	137.1	87%	0.874	77%	0.771	S	S	*	*			cis	-162	173.9	7.2	-131.4	160.5	-143.1	0	0	111.3
86	G	27.3	Very low	28	Very low	66 Å²	66	139.9 Å²	139.9	68%	0.68	78%	0.777	S	S	*	*			trans	126.2	86.8	145.5	0	0	0	0	0	120.9
87	L	27.8	Very low	28.1	Very low	152 Å²	152	139.1 Å²	139.1	80%	0.796	78%	0.782	S	S	*	*			trans	7	151.5	135.3	-46.9	179.7	0	0	0	120.3
88	E	28.4	Very low	28.1	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	78%	0.778	S	S	*	*			cis	-161.7	-176.9	-5.1	-121.6	167.3	173.7	0	0	111.2
89	T	29.6	Very low	28.1	Very low	127 Å²	127	139.8 Å²	139.8	78%	0.779	78%	0.781	S	S	*	*			trans	-75.4	154.6	177.8	53.1	0	0	0	0	114.3
90	E	29.2	Very low	28	Very low	196 Å²	196	142.3 Å²	142.3	92%	0.916	79%	0.788	S	S	*	*			trans	-157.4	164.6	130.2	-123.4	169.7	-149.1	0	0	113.8
91	V	28.4	Very low	27.8	Very low	131 Å²	131	138.3 Å²	138.3	79%	0.794	79%	0.788	S	S	*	*			trans	-122.3	143.3	-179.5	170.9	0	0	0	0	107.6
92	V	27.8	Very low	27.6	Very low	138 Å²	138	139.6 Å²	139.6	84%	0.836	79%	0.79	S	S	*	*			trans	-169.1	156.8	145.3	130.8	0	0	0	0	111.9
93	E	27.4	Very low	27.2	Very low	183 Å²	183	139.7 Å²	139.7	86%	0.855	79%	0.79	S	S	*	*			trans	-87.1	171.9	-177.4	-52.5	148.7	119.6	0	0	112.5
94	G	25.1	Very low	27.1	Very low	67 Å²	67	138.7 Å²	138.7	69%	0.691	79%	0.793	S	S	*	*			trans	130.6	124.4	134.1	0	0	0	0	0	120.7
95	L	26.1	Very low	27.1	Very low	180 Å²	180	141.9 Å²	141.9	94%	0.942	80%	0.801	S	S	*	*			trans	82.7	146.9	137.8	-55.9	178.3	0	0	0	121.7
96	H	29.3	Very low	26.9	Very low	174 Å²	174	139.1 Å²	139.1	81%	0.806	80%	0.797	S	S	*	*			trans	-77.6	161.7	172.7	-70.1	18.1	0	0	0	112.7
97	A	28.6	Very low	26.9	Very low	102 Å²	102	142.9 Å²	142.9	84%	0.843	81%	0.806	S	S	*	*			trans	-154.3	139.9	131.7	0	0	0	0	0	110.7
98	D	27.3	Very low	26.7	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	81%	0.81	S	S	*	*			trans	-100.4	-170	176.3	-70	-77.5	0	0	0	112
99	V	27.1	Very low	26.4	Very low	119 Å²	119	140 Å²	140	72%	0.721	81%	0.808	S	S	*	*			trans	106.2	98.2	151.9	-173.6	0	0	0	0	118.5
100	E	25.1	Very low	26.1	Very low	190 Å²	190	141.7 Å²	141.7	89%	0.888	81%	0.811	S	S	*	*			trans	55.7	143.1	131.2	-57.3	174.8	166	0	0	123.9
101	G	24.4	Very low	26	Very low	68 Å²	68	140.2 Å²	140.2	70%	0.701	81%	0.805	S	S	*	*			trans	154.6	90.7	146.7	0	0	0	0	0	119.9
102	L	24.8	Very low	25.9	Very low	148 Å²	148	140 Å²	140	78%	0.775	80%	0.804	S	S	*	*			trans	63.6	117.1	146.6	-56.1	175.7	0	0	0	119.1
103	E	24.4	Very low	26	Very low	178 Å²	178	142.5 Å²	142.5	83%	0.832	81%	0.806	S	S	*	*				75.5	138.5	77.2	-74.1	179.3	-164.5	0	0	115.3
104	A	26.2	Very low	25.9	Very low	88 Å²	88	138.9 Å²	138.9	73%	0.727	80%	0.796	S	S	*	*			cis	-167.1	-177.1	-11.9	0	0	0	0	0	112
105	E	26.6	Very low	26	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	80%	0.799	S	S	*	*			trans	87.2	95.5	160.3	-55.1	-140.1	133.6	0	0	123.1
106	V	24.7	Very low	26	Very low	129 Å²	129	140 Å²	140	78%	0.782	79%	0.787	S	S	*	*				46.8	117.3	120.9	-176.2	0	0	0	0	121.7
107	V	25.7	Very low	26	Very low	144 Å²	144	140.3 Å²	140.3	87%	0.873	79%	0.793	S	S	*	*				-142.6	153.6	126.5	175.5	0	0	0	0	108.8
108	E	23.8	Very low	25.8	Very low	188 Å²	188	144.5 Å²	144.5	88%	0.879	80%	0.796	S	S	*	*			trans	-69.8	145.2	-174.1	-54.4	168.2	110.7	0	0	115.3
109	G	22.7	Very low	25.9	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	80%	0.797	S	S	*	*			trans	152.4	114.7	159.9	0	0	0	0	0	116.9
110	L	24.3	Very low	25.8	Very low	161 Å²	161	145.9 Å²	145.9	84%	0.843	81%	0.806	S	S	*	*			trans	65.1	84.1	163	-62.8	172.1	0	0	0	119.6
111	Q	25.6	Very low	25.9	Very low	166 Å²	166	143.3 Å²	143.3	78%	0.776	80%	0.802	S	S	*	*				69.6	95.7	111.5	-159.8	171.1	27.7	0	0	120.1
112	T	27.5	Very low	26	Very low	127 Å²	127	145.1 Å²	145.1	78%	0.779	80%	0.8	S	S	*	*				176.6	131.2	114.1	37.5	0	0	0	0	111.7
113	H	29.5	Very low	26	Very low	190 Å²	190	146.5 Å²	146.5	88%	0.88	80%	0.802	S	S	*	*			trans	-173.5	174	153.9	-106	-63.3	0	0	0	112.4
114	V	25.2	Very low	26.1	Very low	107 Å²	107	145.4 Å²	145.4	65%	0.648	80%	0.802	S	S	*	*			trans	69.7	131.2	178.9	-167.4	0	0	0	0	112.7	E116	V114-E116 HydrophobicContact CG1-CG 4.04Å; V114-E116 WeakPolarHBondContact CG1-OE1 3.49Å
115	V	27.1	Very low	26	Very low	125 Å²	125	148.3 Å²	148.3	76%	0.758	81%	0.805	S	S	*	*			cis	-121.1	115.6	33.5	172	0	0	0	0	109.2
116	E	25.8	Very low	25.9	Very low	145 Å²	145	148.5 Å²	148.5	68%	0.678	81%	0.806	S	S	*	*				77.1	121.1	80.3	-74.7	164.7	-172.3	0	0	115.5	V114	V114-E116 HydrophobicContact CG1-CG 4.04Å; V114-E116 WeakPolarHBondContact CG1-OE1 3.49Å
117	L	29.4	Very low	25.9	Very low	180 Å²	180	145.9 Å²	145.9	94%	0.942	81%	0.805	S	S	*	*			trans	-130.7	105.8	152.3	-87.8	172.6	0	0	0	105.9
118	E	25.4	Very low	26.1	Very low	191 Å²	191	148.6 Å²	148.6	89%	0.893	81%	0.808	S	S	*	*			trans	-126.2	148.9	164.9	-72	-158.8	143.8	0	0	110.1
119	A	28.7	Very low	26.2	Very low	92 Å²	92	146.3 Å²	146.3	76%	0.76	81%	0.806	S	S	*	*			trans	-92.1	150.6	176.3	0	0	0	0	0	110
120	Q	25.9	Very low	26.3	Very low	193 Å²	193	151.2 Å²	151.2	90%	0.902	81%	0.81	S	S	*	*			trans	-107.9	91.5	171.7	-150.7	155.7	35.7	0	0	108.8
121	V	25.4	Very low	26.4	Very low	135 Å²	135	148.7 Å²	148.7	82%	0.818	80%	0.8	S	S	*	*			trans	-110.3	123.9	168.3	178	0	0	0	0	106.6
122	V	26.4	Very low	26.2	Very low	107 Å²	107	149.8 Å²	149.8	65%	0.648	81%	0.805	S	S	*	*			trans	-115.8	113.3	-179.5	171.6	0	0	0	0	108.2
123	E	25.7	Very low	26.1	Very low	176 Å²	176	146.7 Å²	146.7	82%	0.822	80%	0.799	S	S	*	*			trans	57.3	139.4	148.7	-60.3	174.1	152.4	0	0	119.7
124	D	25.9	Very low	25.9	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	80%	0.798	S	S	*	*			trans	-63	145.4	168.8	-46.9	-96.6	0	0	0	111.4
125	L	24	Very low	25.9	Very low	150 Å²	150	149 Å²	149	79%	0.785	81%	0.807	S	S	*	*			trans	-172.3	132.1	132.6	-102	166.2	0	0	0	112.4
126	E	25	Very low	26.1	Very low	184 Å²	184	147.5 Å²	147.5	86%	0.86	81%	0.808	S	S	*	*			trans	11.3	128.5	148.8	-62.5	170	171.7	0	0	120
127	G	25.7	Very low	26.2	Very low	74 Å²	74	148.8 Å²	148.8	76%	0.763	81%	0.814	S	S	*	*			trans	169.3	88.2	160.8	0	0	0	0	0	116.6
128	E	28.7	Very low	26	Very low	200 Å²	200	146.3 Å²	146.3	94%	0.935	81%	0.806	S	S	*	*			trans	-73.1	124.3	151.7	-71.5	179.3	168.6	0	0	108.8
129	V	26.6	Very low	26.2	Very low	141 Å²	141	142.7 Å²	142.7	86%	0.855	80%	0.797	S	S	*	*			trans	-135.4	85.2	159.4	-173.8	0	0	0	0	108.5
130	E	24.2	Very low	26	Very low	177 Å²	177	147.8 Å²	147.8	83%	0.827	81%	0.805	S	S	*	*			trans	-72.2	-169.7	157.9	-163.7	175.2	-128.9	0	0	109.6
131	V	26.7	Very low	26	Very low	107 Å²	107	141.5 Å²	141.5	65%	0.648	79%	0.792	S	S	*	*			trans	93.1	89.1	162.8	-168.7	0	0	0	0	117.5
132	E	22.2	Very low	26	Very low	189 Å²	189	142.6 Å²	142.6	88%	0.883	79%	0.792	S	S	*	*				58.3	158.8	121.5	-59.4	177.7	156.3	0	0	123.3
133	G	24.6	Very low	26	Very low	62 Å²	62	146.3 Å²	146.3	64%	0.639	80%	0.803	S	S	*	*			trans	117.7	75.5	173	0	0	0	0	0	113
134	L	25.7	Very low	26.3	Very low	167 Å²	167	142.1 Å²	142.1	87%	0.874	80%	0.798	S	S	*	*				55.1	130.6	82.2	-56.1	176.2	0	0	0	112.4
135	E	25.2	Very low	26.3	Very low	178 Å²	178	144.2 Å²	144.2	83%	0.832	80%	0.803	S	S	*	*			cis	-140.5	170.3	30.9	-65.9	179.5	140.7	0	0	113.6
136	A	31.6	Very low	26.6	Very low	94 Å²	94	142.8 Å²	142.8	78%	0.777	80%	0.8	S	S	*	*			trans	-121.5	157.3	173.2	0	0	0	0	0	111.5
137	Q	27.7	Very low	26.5	Very low	172 Å²	172	141.9 Å²	141.9	80%	0.804	80%	0.801	S	S	*	*			trans	-155.7	112.1	168.7	-118.7	156.3	87.5	0	0	113.3
138	V	24.6	Very low	27.1	Very low	128 Å²	128	144.3 Å²	144.3	78%	0.776	80%	0.801	S	S	*	*			trans	53.2	112.2	152.9	-169.3	0	0	0	0	117.7
139	V	29.2	Very low	27.1	Very low	116 Å²	116	143.7 Å²	143.7	70%	0.703	80%	0.798	S	S	*	*			cis	86.9	109.8	32.8	-176.4	0	0	0	0	115.7
140	E	24.6	Very low	27.1	Very low	199 Å²	199	141.7 Å²	141.7	93%	0.93	80%	0.796	S	S	*	*			trans	-177.9	129.5	140.3	-106.5	-178.2	179.3	0	0	108
141	G	25.8	Very low	27.2	Very low	61 Å²	61	141 Å²	141	63%	0.629	80%	0.797	S	S	*	*			cis	-130	158.5	-20	0	0	0	0	0	109.1
142	L	26.4	Very low	27.2	Very low	157 Å²	157	144.4 Å²	144.4	82%	0.822	81%	0.806	S	S	*	*				64.9	132.5	67.8	-65.6	175.1	0	0	0	112.7
143	E	26.1	Very low	27.3	Very low	186 Å²	186	139.3 Å²	139.3	87%	0.869	80%	0.796	S	S	*	*			cis	-123.9	173.8	10.6	-65.7	178.5	140.6	0	0	112.8
144	A	31.5	Very low	27.4	Very low	88 Å²	88	144.7 Å²	144.7	73%	0.727	81%	0.805	S	S	*	*			trans	-148.3	154.7	178.5	0	0	0	0	0	111
145	E	25.7	Very low	27.4	Very low	199 Å²	199	142.6 Å²	142.6	93%	0.93	80%	0.798	S	S	*	*			trans	-128.3	143.1	155.6	-72.8	-167.2	159.3	0	0	109.3
146	V	31.6	Very low	27.5	Very low	119 Å²	119	139.2 Å²	139.2	72%	0.721	79%	0.789	S	S	*	*			trans	-144.1	132.5	177.7	173.9	0	0	0	0	106.2	V148	V146-V148 HydrophobicContact CG1-CG2 4.14Å
147	D	23.1	Very low	27.1	Very low	165 Å²	165	144 Å²	144	88%	0.882	80%	0.796	S	S	*	*			trans	-141	148.9	155.1	-105	-41.3	0	0	0	110
148	V	37.8	Very low	27	Very low	126 Å²	126	138.7 Å²	138.7	76%	0.764	79%	0.788	S	S	*	*			trans	-142.4	117	-173.4	176.6	0	0	0	0	108.7	V146	V146-V148 HydrophobicContact CG1-CG2 4.14Å
149	E	29.3	Very low	27	Very low	187 Å²	187	140.4 Å²	140.4	87%	0.874	79%	0.792	S	S	*	*			trans	-131.6	142.2	170.9	-68.6	-159	135.5	0	0	112.9
150	A	25.5	Very low	26.8	Very low	98 Å²	98	143.4 Å²	143.4	81%	0.81	80%	0.798	S	S	*	*			trans	59.4	98.2	155.5	0	0	0	0	0	121.3
151	L	26.4	Very low	27.1	Very low	162 Å²	162	142 Å²	142	85%	0.848	79%	0.791	S	S	*	*				-62.4	146.2	119	-73.3	166.1	0	0	0	107.9
152	E	25.8	Very low	27.2	Very low	180 Å²	180	146.7 Å²	146.7	84%	0.841	80%	0.797	S	S	*	*			cis	-141	179.3	17.3	-100	154.4	-167.8	0	0	107.9
153	A	24.9	Very low	27.1	Very low	81 Å²	81	144.7 Å²	144.7	67%	0.669	79%	0.791	S	S	*	*			cis	-167.3	162.3	36.4	0	0	0	0	0	114.2
154	H	27.3	Very low	27	Very low	176 Å²	176	143.9 Å²	143.9	82%	0.815	79%	0.787	S	S	*	*			trans	39.6	116.9	153	-73	-75	0	0	0	124.5
155	V	25.5	Very low	26.8	Very low	123 Å²	123	146.1 Å²	146.1	75%	0.745	79%	0.792	S	S	*	*				4.3	145.2	123.8	-123.2	0	0	0	0	117
156	V	26.8	Very low	26.7	Very low	106 Å²	106	145.2 Å²	145.2	64%	0.642	79%	0.787	S	S	*	*			cis	-159.7	155.4	42.4	-168.5	0	0	0	0	111.6
157	E	24.7	Very low	26.5	Very low	194 Å²	194	142.3 Å²	142.3	91%	0.907	78%	0.781	S	S	*	*			trans	60.5	157.9	162	-84.3	148.9	-161.5	0	0	117.9
158	G	24.3	Very low	26.5	Very low	62 Å²	62	141.8 Å²	141.8	64%	0.639	78%	0.777	S	S	*	*			cis	161.1	130	-7.6	0	0	0	0	0	111.2
159	L	24.5	Very low	25.8	Very low	163 Å²	163	144.3 Å²	144.3	85%	0.853	78%	0.781	S	S	*	*			trans	65.1	158.2	-174.4	-53.6	170	0	0	0	113
160	E	25.3	Very low	25.8	Very low	180 Å²	180	139.5 Å²	139.5	84%	0.841	77%	0.773	S	S	*	*			cis	-140.4	-160	11.3	-147.2	144.9	-116.1	0	0	111.9
161	E	31.5	Very low	25.8	Very low	168 Å²	168	144.6 Å²	144.6	79%	0.785	78%	0.78	S	S	*	*			trans	-103.1	170.9	-163.4	-152.8	164.1	-145.2	0	0	113.5
162	E	26.9	Very low	25.8	Very low	161 Å²	161	140.1 Å²	140.1	75%	0.752	77%	0.773	S	S	*	*			trans	66.6	154.5	170.9	-53.7	-68.1	80.7	0	0	116.9
163	V	25.7	Very low	25.9	Very low	114 Å²	114	138.4 Å²	138.4	69%	0.691	78%	0.775	S	S	*	*			cis	-144.3	169.9	-2.4	96.5	0	0	0	0	112.4
164	E	23.3	Very low	26	Very low	170 Å²	170	143.5 Å²	143.5	79%	0.794	78%	0.784	S	S	*	*			trans	-36.4	143.5	172.2	-162.6	160.7	-132.3	0	0	117.7
165	V	27.3	Very low	25.9	Very low	135 Å²	135	138.5 Å²	138.5	82%	0.818	78%	0.78	S	S	*	*			trans	-104.8	136.3	179	178.4	0	0	0	0	110.5
166	H	22.6	Very low	25.8	Very low	179 Å²	179	140.4 Å²	140.4	83%	0.829	79%	0.786	S	S	*	*			trans	-135.4	104.8	170.1	-120.9	-81.5	0	0	0	114.1
167	G	27.1	Very low	25.8	Very low	58 Å²	58	144 Å²	144	60%	0.598	80%	0.796	S	S	*	*			trans	65	118.2	139.7	0	0	0	0	0	121.5
168	L	23.5	Very low	25.9	Very low	154 Å²	154	140.4 Å²	140.4	81%	0.806	79%	0.787	S	S	*	*				-138.4	135	129.4	-71	-177.6	0	0	0	106.1
169	E	23.4	Very low	26	Very low	180 Å²	180	144.3 Å²	144.3	84%	0.841	79%	0.793	S	S	*	*				73.7	143.7	52.5	-67.9	-170.2	-179.2	0	0	113.4
170	A	28.9	Very low	26.4	Very low	86 Å²	86	141.9 Å²	141.9	71%	0.711	78%	0.784	S	S	*	*			cis	-171.4	173.2	-12.6	0	0	0	0	0	109.7
171	E	26.4	Very low	26.6	Very low	205 Å²	205	141.6 Å²	141.6	96%	0.958	78%	0.783	S	S	*	*			trans	-172.5	141.7	151.7	-109.8	174.2	-151.5	0	0	108.2
172	G	25.3	Very low	26.6	Very low	67 Å²	67	138.6 Å²	138.6	69%	0.691	78%	0.78	S	S	*	*			cis	165.9	152.8	-5.2	0	0	0	0	0	109
173	V	28.2	Very low	26.7	Very low	145 Å²	145	137.9 Å²	137.9	88%	0.879	78%	0.781	S	S	*	*			cis	-131.3	-139.4	-2.9	-145.8	0	0	0	0	107
174	E	26.9	Very low	26.9	Very low	187 Å²	187	140.8 Å²	140.8	87%	0.874	79%	0.787	S	S	*	*			cis	-159.7	167.4	-0.5	-150.4	-179.2	-98.4	0	0	108.8
175	G	25.5	Very low	27.3	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	78%	0.782	S	S	*	*			trans	119.6	101.5	158.1	0	0	0	0	0	118.6
176	L	24.8	Very low	27.5	Very low	164 Å²	164	138.8 Å²	138.8	86%	0.859	78%	0.783	S	S	*	*			trans	-53.2	150.8	165.9	-64.8	139.8	0	0	0	112.1
177	E	24.8	Very low	27.8	Very low	182 Å²	182	134.5 Å²	134.5	85%	0.85	78%	0.778	S	S	*	*				-162.2	-155.5	58	-140.7	155	-125.9	0	0	112.7
178	V	27.5	Very low	27.8	Very low	118 Å²	118	137.5 Å²	137.5	72%	0.715	79%	0.785	S	S	*	*			trans	-129.1	174.7	-152.3	-157.1	0	0	0	0	114.9
179	D	26.1	Very low	28.1	Very low	144 Å²	144	138.6 Å²	138.6	77%	0.77	79%	0.786	S	S	*	*			trans	88.4	144.7	161.7	-70	-22.9	0	0	0	120.1
180	V	33.5	Very low	28.3	Very low	112 Å²	112	135 Å²	135	68%	0.679	79%	0.787	S	S	*	*			cis	-171.5	178.1	-30.1	111.2	0	0	0	0	110.3
181	E	29.4	Very low	28.4	Very low	173 Å²	173	138.4 Å²	138.4	81%	0.808	79%	0.788	S	S	*	*			trans	70.9	159.6	166.2	-86.7	167.4	-158.4	0	0	119.4
182	S	30.7	Very low	28.5	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	77%	0.774	S	S	*	*			cis	-169.2	147.2	-38.9	-104.3	0	0	0	0	113.8
183	L	30.6	Very low	28.6	Very low	147 Å²	147	138.8 Å²	138.8	77%	0.77	78%	0.775	S	S	*	*			trans	3.8	120.1	159	-62.6	172.3	0	0	0	123.3
184	Q	29.2	Very low	28.6	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	77%	0.77	S	S	*	*				77.7	164	114.7	-156.5	167.6	11.3	0	0	122.2
185	A	32.3	Very low	28.9	Very low	83 Å²	83	133.6 Å²	133.6	69%	0.686	76%	0.761	S	S	*	*			trans	81.2	144.9	178.8	0	0	0	0	0	116.3
186	Q	31	Very low	29.1	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	77%	0.766	S	S	*	*			cis	-152.4	143.4	-6	-114.1	163.8	-26.6	0	0	108
187	A	27.9	Very low	29.3	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	76%	0.759	S	S	*	*				53.4	139.2	93.2	0	0	0	0	0	114.7
188	V	28.7	Very low	29.6	Very low	122 Å²	122	135.8 Å²	135.8	74%	0.739	75%	0.754	S	S	*	*			cis	-151.3	119.3	25.2	170.5	0	0	0	0	107.2
189	E	28	Very low	29.7	Very low	177 Å²	177	136.1 Å²	136.1	83%	0.827	76%	0.756	S	S	*	*				65	111.7	93.6	-163.6	-179	-114.6	0	0	116.7
190	A	28.9	Very low	31.2	Very low	103 Å²	103	134.6 Å²	134.6	85%	0.851	75%	0.754	S	S	*	*			trans	-162.6	93.5	164.9	0	0	0	0	0	113.7
191	H	29.6	Very low	31.9	Very low	158 Å²	158	135.1 Å²	135.1	73%	0.731	76%	0.76	S	S	*	*			trans	-35.4	151.1	150.7	-100.4	-105.4	0	0	0	114
192	E	29.4	Very low	31.9	Very low	144 Å²	144	130 Å²	130	67%	0.673	75%	0.753	S	S	*	*			cis	-161.9	153	28.9	-77.1	-128.9	109.2	0	0	117.3
193	L	27.9	Very low	31.8	Very low	137 Å²	137	133.7 Å²	133.7	72%	0.717	76%	0.758	S	S	*	*			trans	66.7	165.1	137.4	-66.5	170.5	0	0	0	124.6
194	T	28.3	Very low	31.8	Very low	126 Å²	126	132 Å²	132	77%	0.773	76%	0.759	S	S	*	*			trans	69.6	115	-179.5	58.2	0	0	0	0	115.6
195	S	31.9	Very low	31.9	Very low	97 Å²	97	130 Å²	130	68%	0.678	76%	0.758	S	S	*	*				71.8	135.3	64.7	75.7	0	0	0	0	113.1
196	E	30.7	Very low	32.1	Very low	178 Å²	178	132.2 Å²	132.2	83%	0.832	76%	0.757	S	S	*	*			cis	-160.2	149.3	15.2	-134.4	154.4	-155.9	0	0	112.4
197	D	29.1	Very low	31.9	Very low	135 Å²	135	132 Å²	132	72%	0.722	76%	0.759	S	S	*	*			trans	51.6	150.6	152.7	-108.9	-19.2	0	0	0	129.4
198	M	29.9	Very low	33.4	Very low	150 Å²	150	131.7 Å²	131.7	74%	0.739	75%	0.749	S	S	*	*			trans	54.5	84.5	149.6	-65.5	-65.1	150	0	0	124.8
199	V	30.4	Very low	33.8	Very low	125 Å²	125	134.3 Å²	134.3	76%	0.758	75%	0.753	S	S	*	*				10.8	148.6	105.8	-173.3	0	0	0	0	118.5
200	P	57.3	Low	34.2	Very low	112 Å²	112	132.7 Å²	132.7	73%	0.727	75%	0.75	S	S	*	*			cis	-123.7	-148.2	-23.1	42.3	-23.6	0	0	0	110.1
201	P	48.8	Very low	34.5	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	75%	0.745	S	S	*	*			cis	-124.6	170.2	-16.2	41.6	-25.9	0	0	0	115.2
202	G	28.6	Very low	34.7	Very low	66 Å²	66	135.4 Å²	135.4	68%	0.68	75%	0.753	S	S	*	*			trans	-104.7	154	-178.3	0	0	0	0	0	115.9
203	H	28.7	Very low	34.7	Very low	181 Å²	181	131.4 Å²	131.4	84%	0.838	75%	0.751	S	S	*	*			trans	-152.7	149.3	161.4	-109.4	58.3	0	0	0	110.9
204	S	31.5	Very low	35.2	Very low	111 Å²	111	130.8 Å²	130.8	78%	0.776	75%	0.753	S	S	*	*			trans	20.9	126.9	157.2	59.6	0	0	0	0	121.7
205	V	31.4	Very low	35.5	Very low	133 Å²	133	133 Å²	133	81%	0.806	75%	0.754	S	S	*	*			trans	-146.5	149.8	163.7	-133.6	0	0	0	0	107.3
206	I	35.3	Very low	35.4	Very low	130 Å²	130	135.1 Å²	135.1	67%	0.667	76%	0.763	S	S	*	*			cis	-139.9	142.2	11.3	-32.7	-171.2	0	0	0	111.2	P208	I206-P208 HydrophobicContact CG2-CB 4.48Å
207	M	27.5	Very low	35.4	Very low	177 Å²	177	130.5 Å²	130.5	87%	0.872	76%	0.755	S	S	*	*			trans	-134.7	153.1	131.7	-86.9	-71.3	91.6	0	0	108.2
208	P	60.5	Low	35.4	Very low	80 Å²	80	131 Å²	131	52%	0.519	76%	0.756	S	S	.	*			trans	-115	163.8	-134.3	40.9	-35.6	0	0	0	116.7	I206	I206-P208 HydrophobicContact CG2-CB 4.48Å
209	E	36.4	Very low	35.4	Very low	177 Å²	177	131.6 Å²	131.6	83%	0.827	76%	0.758	S	S	*	*			trans	63.3	151.7	144.9	-75.8	174.3	-163.6	0	0	120.3
210	N	37	Very low	35.4	Very low	144 Å²	144	134.6 Å²	134.6	77%	0.77	76%	0.763	S	S	*	*			cis	-174.2	-176.7	-32.4	-125.1	-19.2	0	0	0	108.3
211	I	34.8	Very low	34.1	Very low	144 Å²	144	133.4 Å²	133.4	74%	0.738	76%	0.763	S	S	*	*			trans	104.1	101.7	158.3	-56.4	-179.2	0	0	0	118.1
212	L	34.2	Very low	33.3	Very low	173 Å²	173	134.9 Å²	134.9	91%	0.906	76%	0.763	S	S	*	*			trans	44.3	142.3	132.1	-46.1	177.9	0	0	0	121.3
213	G	29.5	Very low	33.2	Very low	61 Å²	61	138.5 Å²	138.5	63%	0.629	77%	0.767	S	S	*	*			cis	159.1	173.9	-1.4	0	0	0	0	0	114.5
214	T	37.6	Very low	33.3	Very low	124 Å²	124	133.7 Å²	133.7	76%	0.761	76%	0.759	S	S	*	*			trans	67.3	111.1	157.9	53.7	0	0	0	0	122.6
215	E	34.3	Very low	33.3	Very low	171 Å²	171	136.3 Å²	136.3	80%	0.799	76%	0.758	S	S	*	*				78.3	115.2	121.9	-73.5	167.6	-144.5	0	0	120.7
216	V	30.5	Very low	33.3	Very low	142 Å²	142	137.1 Å²	137.1	86%	0.861	75%	0.753	S	S	*	*				85.7	131.3	81	156.8	0	0	0	0	112.9
217	A	30.9	Very low	33.1	Very low	81 Å²	81	137.7 Å²	137.7	67%	0.669	75%	0.752	S	S	*	*			cis	-168.8	-159.2	-13.6	0	0	0	0	0	109.2
218	I	29	Very low	33.5	Very low	145 Å²	145	137 Å²	137	74%	0.744	75%	0.747	S	S	*	*			trans	120.4	128.5	153.8	-63.3	165.8	0	0	0	116.4
219	E	29.3	Very low	31.9	Very low	164 Å²	164	138.4 Å²	138.4	77%	0.766	75%	0.754	S	S	*	*			trans	52.2	118.7	161.8	-72.9	156.1	-142.8	0	0	119.2
220	E	30.6	Very low	31.5	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	76%	0.756	S	S	*	*				87.8	149.1	64.3	-80	-156.3	134.2	0	0	115.4
221	A	30	Very low	31	Very low	86 Å²	86	136.4 Å²	136.4	71%	0.711	75%	0.752	S	S	*	*			trans	91.5	100.1	159.5	0	0	0	0	0	122.4
222	L	31.2	Very low	30.9	Very low	154 Å²	154	133.3 Å²	133.3	81%	0.806	75%	0.748	S	S	*	*				73.2	126.8	121	-62.2	172.6	0	0	0	123.8
223	D	27.2	Very low	30.7	Very low	142 Å²	142	131.6 Å²	131.6	76%	0.759	74%	0.74	S	S	*	*			trans	67.4	104.3	131.3	-71.2	-17.9	0	0	0	124.5
224	A	30.9	Very low	30.8	Very low	81 Å²	81	134.9 Å²	134.9	67%	0.669	74%	0.742	S	S	*	*				99.2	160.5	102.9	0	0	0	0	0	122.6
225	H	30.7	Very low	30.4	Very low	165 Å²	165	135.2 Å²	135.2	76%	0.764	74%	0.738	S	S	*	*			trans	81.6	94.1	163.6	-72.2	-67	0	0	0	122.3
226	H	32.5	Very low	30.1	Very low	151 Å²	151	134.4 Å²	134.4	70%	0.699	73%	0.734	S	S	*	*				69.7	112.9	112.3	-94.9	-109.6	0	0	0	122.4
227	H	31.5	Very low	30.1	Very low	141 Å²	141	133.6 Å²	133.6	65%	0.653	73%	0.725	S	S	*	*				44.3	132.7	124.8	-70.7	-94	0	0	0	123
228	H	33.9	Very low	30.1	Very low	162 Å²	162	134.7 Å²	134.7	75%	0.75	73%	0.728	S	S	*	*			trans	33	153.1	130.6	-58.8	-112.5	0	0	0	120.5
229	V	28.5	Very low	30	Very low	110 Å²	110	134.6 Å²	134.6	67%	0.667	73%	0.729	S	S	*	*			cis	-153	169	29.1	-148.4	0	0	0	0	109	T231	V229-T231 HydrophobicContact CG1-CG2 4.4Å
230	L	26.6	Very low	30.2	Very low	166 Å²	166	134.2 Å²	134.2	87%	0.869	73%	0.727	S	S	*	*				-168.6	160.9	110.7	-99.5	169.1	0	0	0	112.2
231	T	27.4	Very low	30.3	Very low	113 Å²	113	132.8 Å²	132.8	69%	0.693	72%	0.72	S	S	*	*			trans	-122.5	-173	-166.5	50.6	0	0	0	0	111.6	V229	V229-T231 HydrophobicContact CG1-CG2 4.4Å
232	A	33.4	Very low	30.5	Very low	79 Å²	79	135.2 Å²	135.2	65%	0.653	72%	0.716	S	S	*	*			trans	73.7	154.1	159.3	0	0	0	0	0	117
233	D	29.4	Very low	30.5	Very low	137 Å²	137	134.8 Å²	134.8	73%	0.733	71%	0.71	S	S	*	*			cis	-160.5	161.8	-10.2	-111.4	-21.2	0	0	0	113.8
234	L	31.4	Very low	30.6	Very low	131 Å²	131	134.4 Å²	134.4	69%	0.686	71%	0.708	S	S	*	*			trans	43.7	126.4	140.7	-59.2	168.5	0	0	0	124.2
235	I	29.2	Very low	30.7	Very low	131 Å²	131	137 Å²	137	67%	0.672	71%	0.71	S	S	*	*				80.1	108.2	127.6	-66	175.9	0	0	0	121.8
236	Q	28.6	Very low	30.6	Very low	154 Å²	154	135.1 Å²	135.1	72%	0.72	70%	0.703	S	S	*	*			trans	60.3	132.9	132.5	-66.7	-177	-101.3	0	0	125.7
237	D	29.1	Very low	30.4	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	70%	0.704	S	S	*	*			trans	54.3	113.5	132.3	-52.4	-23.9	0	0	0	122.2
238	S	31.3	Very low	30.3	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	71%	0.705	S	S	*	*				177.9	133.6	96.8	-78	0	0	0	0	115
239	N	28.3	Very low	30.3	Very low	143 Å²	143	134.3 Å²	134.3	77%	0.765	70%	0.704	S	S	*	*			trans	57.3	130.3	152.8	-59.8	-37.7	0	0	0	120.8
240	H	33.1	Very low	30.3	Very low	156 Å²	156	134 Å²	134	72%	0.722	70%	0.702	S	S	*	*			cis	88.5	143.9	49.5	-106.1	62.9	0	0	0	116
241	H	32.3	Very low	30.3	Very low	158 Å²	158	135.2 Å²	135.2	73%	0.731	70%	0.701	S	S	*	*			trans	84.6	150.7	175	-53.9	90.4	0	0	0	117.7
242	H	33.4	Very low	30.6	Very low	138 Å²	138	136 Å²	136	64%	0.639	71%	0.705	S	S	*	*			cis	179	140.3	-41.1	-121.8	-46.9	0	0	0	109.2
243	H	31.5	Very low	30.5	Very low	145 Å²	145	136.3 Å²	136.3	67%	0.671	71%	0.708	S	S	*	*			trans	60.2	168.7	162.2	-71.2	-74.9	0	0	0	115.4
244	D	29.1	Very low	30.6	Very low	134 Å²	134	137.7 Å²	137.7	72%	0.717	71%	0.71	S	S	*	*			cis	-164.1	165.3	-21.2	-99.7	-5.6	0	0	0	107.3
245	D	32.6	Very low	30.8	Very low	135 Å²	135	138.5 Å²	138.5	72%	0.722	71%	0.714	S	S	*	*			cis	-171.4	-177.7	-24.2	-176.3	27	0	0	0	107.8
246	M	29	Very low	30.9	Very low	126 Å²	126	139.2 Å²	139.2	62%	0.621	72%	0.719	S	S	*	*			trans	73.5	111	160.4	-71	-103.9	-67	0	0	120.4
247	Q	29.1	Very low	31.2	Very low	153 Å²	153	136.4 Å²	136.4	72%	0.715	72%	0.716	S	S	*	*				69.5	122.8	126.2	-67.2	-178.5	-5.7	0	0	123.2
248	D	28.8	Very low	31.7	Very low	126 Å²	126	138.9 Å²	138.9	67%	0.674	72%	0.724	S	S	*	*			trans	77.1	117.5	130.5	-94.3	-45.1	0	0	0	125.4
249	Q	33.5	Very low	32.4	Very low	157 Å²	157	139 Å²	139	73%	0.734	72%	0.722	S	S	*	*				83.2	137	124.3	-100.7	175.5	87.2	0	0	125.4
250	V	28.7	Very low	32.6	Very low	103 Å²	103	139.9 Å²	139.9	62%	0.624	72%	0.722	S	S	*	*			trans	52.8	130.2	156	-109.6	0	0	0	0	123.2
251	F	27.4	Very low	32.6	Very low	193 Å²	193	138.8 Å²	138.8	85%	0.846	72%	0.716	S	S	*	*				-169	178.4	96.3	-119.2	-84.9	0	0	0	114.7
252	V	33.8	Very low	32.6	Very low	128 Å²	128	139 Å²	139	78%	0.776	72%	0.718	S	S	*	*			trans	-141.3	157.8	-161.1	173.6	0	0	0	0	112.7
253	A	30.1	Very low	32.2	Very low	87 Å²	87	135.5 Å²	135.5	72%	0.719	72%	0.719	S	S	*	*			trans	-155.6	157.7	170.7	0	0	0	0	0	110.9
254	E	31.7	Very low	32	Very low	165 Å²	165	136 Å²	136	77%	0.771	73%	0.726	S	S	*	*			cis	-166.8	111.3	-21.3	-178.4	178.2	146.1	0	0	111.8
255	L	36.7	Very low	31.9	Very low	148 Å²	148	135 Å²	135	78%	0.775	73%	0.725	S	S	*	*			trans	64	168.9	154.3	-53.5	173	0	0	0	119.3
256	L	31.7	Very low	31.9	Very low	147 Å²	147	135.4 Å²	135.4	77%	0.77	73%	0.727	S	S	*	*			cis	-144.3	149.4	15.7	-78.7	166.3	0	0	0	114.8
257	S	33.6	Very low	31.9	Very low	94 Å²	94	136 Å²	136	66%	0.657	73%	0.733	S	S	*	*			trans	34.3	121	143.7	-58.8	0	0	0	0	123.1
258	E	40.1	Very low	32	Very low	177 Å²	177	136.3 Å²	136.3	83%	0.827	73%	0.734	S	S	*	*				90.9	153.9	66.4	-83.5	-170.8	148.5	0	0	115.2
259	P	46.8	Very low	32.2	Very low	106 Å²	106	137.6 Å²	137.6	69%	0.688	74%	0.736	S	S	*	*			cis	-137.7	172	19.6	44	-26.7	0	0	0	119
260	E	32.1	Very low	32.2	Very low	162 Å²	162	137.3 Å²	137.3	76%	0.757	74%	0.738	S	S	*	*			trans	33.9	152.3	140.2	-60.2	-164.1	126.9	0	0	123.7
261	H	33.2	Very low	32	Very low	132 Å²	132	138.1 Å²	138.1	61%	0.611	74%	0.743	S	S	*	*			cis	-163.8	166.4	9.2	-134.9	73.9	0	0	0	110.7
262	Q	31.2	Very low	32.4	Very low	164 Å²	164	134.1 Å²	134.1	77%	0.766	74%	0.739	S	S	*	*			trans	25.8	151.9	160.2	-95.1	68.4	-34.9	0	0	123.1
263	G	24.5	Very low	32.3	Very low	63 Å²	63	137.8 Å²	137.8	65%	0.649	75%	0.748	S	S	*	*			cis	138.1	143.6	0.8	0	0	0	0	0	113.5
264	N	28.6	Very low	32.3	Very low	156 Å²	156	136.7 Å²	136.7	83%	0.834	75%	0.745	S	S	*	*			trans	70.3	159.5	171.5	-65.5	-13.3	0	0	0	117.4
265	T	27.2	Very low	32.1	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.693	75%	0.748	S	S	*	*			cis	-168.7	159.2	-7.7	19.6	0	0	0	0	113.4
266	L	32	Very low	31.8	Very low	143 Å²	143	136.8 Å²	136.8	75%	0.749	75%	0.747	S	S	*	*			trans	66.7	119.9	144.2	-68.2	164.7	0	0	0	124.4
267	D	29.6	Very low	31.7	Very low	140 Å²	140	135.5 Å²	135.5	75%	0.749	75%	0.746	S	S	*	*				48.4	156.5	126.6	-74.2	-53.8	0	0	0	127.2
268	H	31.4	Very low	31.6	Very low	159 Å²	159	134.4 Å²	134.4	74%	0.736	74%	0.742	S	S	*	*			trans	82.4	89.3	161.3	-83.4	-72.7	0	0	0	123.1
269	Q	31.3	Very low	31.1	Very low	153 Å²	153	135 Å²	135	72%	0.715	75%	0.745	S	S	*	*				39.5	128	107.7	-165.8	-175.9	19.7	0	0	121.6
270	L	34.1	Very low	30.5	Very low	151 Å²	151	133.2 Å²	133.2	79%	0.791	74%	0.74	S	S	*	*				162.2	145.3	127.9	-85.6	168	0	0	0	114.8
271	V	25.6	Very low	30.4	Very low	119 Å²	119	132.6 Å²	132.6	72%	0.721	74%	0.741	S	S	*	*			trans	41.4	139.7	141.5	178.1	0	0	0	0	120.4
272	S	35.5	Very low	30.2	Very low	109 Å²	109	132 Å²	132	76%	0.762	75%	0.747	S	S	*	*			cis	131	121	-1.8	-73.5	0	0	0	0	112.1
273	E	30.5	Very low	30.3	Very low	205 Å²	205	131.8 Å²	131.8	96%	0.958	75%	0.746	S	S	*	*			trans	-171.4	178.8	162	-112.5	179	-149.5	0	0	107.7
274	G	30.8	Very low	30.6	Very low	64 Å²	64	133.7 Å²	133.7	66%	0.66	75%	0.745	S	S	*	*			cis	157.7	154.1	-0.9	0	0	0	0	0	109.9
275	L	27.8	Very low	30.6	Very low	159 Å²	159	133.6 Å²	133.6	83%	0.832	74%	0.743	S	S	*	*			cis	-166.2	108	-12.8	-166.4	79.1	0	0	0	113.8
276	M	29.8	Very low	30.7	Very low	156 Å²	156	134.6 Å²	134.6	77%	0.768	74%	0.743	S	S	*	*			trans	62	136.5	143.4	-60.9	-76.2	-83.6	0	0	125.5
277	V	30.3	Very low	30.6	Very low	121 Å²	121	135 Å²	135	73%	0.733	74%	0.741	S	S	*	*			trans	74.8	150.8	135.2	166.3	0	0	0	0	117.9
278	A	30.4	Very low	30.7	Very low	71 Å²	71	134.7 Å²	134.7	59%	0.587	74%	0.735	S	S	*	*			cis	-158.1	163	22.8	0	0	0	0	0	116.5
279	E	31.2	Very low	30.5	Very low	188 Å²	188	134.7 Å²	134.7	88%	0.879	74%	0.735	S	S	*	*				58.5	159	129.1	-73.2	165.3	-141.9	0	0	123.5
280	A	33.4	Very low	30.5	Very low	70 Å²	70	135.1 Å²	135.1	58%	0.579	74%	0.741	S	S	*	*			cis	-171.5	155.1	-9.4	0	0	0	0	0	115.8
281	N	30.2	Very low	31.1	Very low	149 Å²	149	132.8 Å²	132.8	80%	0.797	74%	0.735	S	S	*	*			trans	59.3	168.8	146.7	-50.2	-11.9	0	0	0	120.3
282	T	29.5	Very low	31.1	Very low	118 Å²	118	132.3 Å²	132.3	72%	0.724	73%	0.733	S	S	*	*			cis	-145.5	143.1	16.9	42.5	0	0	0	0	111.2
283	E	32.1	Very low	30.7	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	73%	0.732	S	S	*	*				60.7	142	78.7	-72.3	-153.6	65.6	0	0	117
284	T	30.7	Very low	30.4	Very low	103 Å²	103	133.4 Å²	133.4	63%	0.632	73%	0.726	S	S	*	*			cis	-162.4	-169.3	-6.9	16.1	0	0	0	0	111.4
285	I	29.5	Very low	30.2	Very low	155 Å²	155	137.3 Å²	137.3	80%	0.795	74%	0.736	S	S	*	*			trans	115	112.5	170.2	-61.8	160.7	0	0	0	113.4
286	I	29.6	Very low	30.4	Very low	134 Å²	134	134.4 Å²	134.4	69%	0.687	73%	0.727	S	S	*	*			cis	90.1	125.1	37	-59.9	166.9	0	0	0	111.6
287	H	29.6	Very low	30.4	Very low	151 Å²	151	133.6 Å²	133.6	70%	0.699	73%	0.725	S	S	*	*			cis	-166.9	152.6	42.7	-137.7	-30.6	0	0	0	115
288	Q	31	Very low	30.6	Very low	134 Å²	134	135.8 Å²	135.8	63%	0.626	73%	0.728	S	S	*	*			trans	58	147.2	152.1	-85.1	168.2	111.6	0	0	119.4
289	Q	28.2	Very low	30.6	Very low	159 Å²	159	137.5 Å²	137.5	74%	0.743	73%	0.731	S	S	*	*			cis	-155	173	19.3	-145.8	108.2	24.7	0	0	111
290	L	30.5	Very low	30.5	Very low	161 Å²	161	134.5 Å²	134.5	84%	0.843	72%	0.721	S	S	*	*			trans	-124.3	172.5	175	-85.8	171.5	0	0	0	110.4
291	P	46.8	Very low	30.6	Very low	103 Å²	103	139.1 Å²	139.1	67%	0.669	73%	0.73	S	S	*	*			cis	-124.9	-160.3	9.2	39.4	-18.2	0	0	0	112.9
292	T	25.8	Very low	31.1	Very low	108 Å²	108	140 Å²	140	66%	0.663	73%	0.73	S	S	*	*			cis	-164	160.3	19.8	-7.8	0	0	0	0	109.3
293	E	26.1	Very low	31.3	Very low	159 Å²	159	141.5 Å²	141.5	74%	0.743	73%	0.733	S	S	*	*			trans	45.4	130.3	157.5	-51.1	-40.2	87.3	0	0	120
294	E	24.3	Very low	31.2	Very low	178 Å²	178	140.7 Å²	140.7	83%	0.832	73%	0.734	S	S	*	*			cis	-141.1	173.1	6	-105.1	173.4	160	0	0	110.1
295	V	27.2	Very low	31.3	Very low	146 Å²	146	139.7 Å²	139.7	89%	0.885	74%	0.736	S	S	*	*			trans	-89.1	134.9	-161.1	179.6	0	0	0	0	115.2
296	P	32.4	Very low	31.3	Very low	99 Å²	99	143.5 Å²	143.5	64%	0.643	74%	0.741	S	S	*	*			trans	-107.4	158.9	179.1	40	-35	0	0	0	116.6
297	L	29.9	Very low	31.4	Very low	138 Å²	138	143 Å²	143	72%	0.723	75%	0.749	S	S	*	*			trans	45	126.5	139.1	-58.6	172.4	0	0	0	123.3
298	Q	34.5	Very low	31.4	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	75%	0.75	S	S	*	*			trans	60.5	167.4	130.2	-55.1	173.1	-50	0	0	118.2
299	T	30.6	Very low	31.6	Very low	106 Å²	106	138.8 Å²	138.8	65%	0.65	75%	0.751	S	S	*	*			cis	-145.3	-172.5	20.1	41.9	0	0	0	0	112.8
300	D	29.4	Very low	31.7	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	75%	0.752	S	S	*	*			trans	83.6	107.7	150.5	-48.4	-37.8	0	0	0	122.6
301	E	35.1	Very low	31.8	Very low	168 Å²	168	139.3 Å²	139.3	79%	0.785	76%	0.755	S	S	*	*				39.5	137.2	110.8	-61.9	175.4	-176.4	0	0	120
302	E	40	Very low	31	Very low	167 Å²	167	144 Å²	144	78%	0.78	76%	0.761	S	S	*	*			cis	-158.5	-179.7	-0.3	-131.3	-178.7	173.5	0	0	112.3
303	D	33.2	Very low	31.4	Very low	149 Å²	149	147.1 Å²	147.1	80%	0.797	77%	0.773	S	S	*	*			trans	86.8	130.7	155.8	-97.9	-18.4	0	0	0	125.8
304	D	30.8	Very low	31.5	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	78%	0.777	S	S	*	*			trans	69.9	79.2	144.8	-124	7.6	0	0	0	125.4
305	A	31.8	Very low	31.8	Very low	82 Å²	82	147 Å²	147	68%	0.678	78%	0.778	S	S	*	*				75.1	150.5	117.3	0	0	0	0	0	125.9
306	R	30.9	Very low	32	Very low	235 Å²	235	144.5 Å²	144.5	89%	0.887	77%	0.766	S	S	*	*			trans	100.3	95.1	155.8	-57.8	-172.5	-178.9	-173.3	2.2	121.2
307	S	32.3	Very low	32	Very low	124 Å²	124	147.7 Å²	147.7	87%	0.867	78%	0.777	S	S	*	*				34.2	106.1	118	-165.4	0	0	0	0	121.1
308	S	27.7	Very low	32.2	Very low	102 Å²	102	148.9 Å²	148.9	71%	0.713	78%	0.784	S	S	*	*			trans	-161	118.9	144.3	56.2	0	0	0	0	107
309	S	35.1	Very low	32.3	Very low	94 Å²	94	149.9 Å²	149.9	66%	0.657	79%	0.789	S	S	*	*				72.9	136.6	61.2	77.6	0	0	0	0	114.8
310	E	30.8	Very low	32.5	Very low	161 Å²	161	151.9 Å²	151.9	75%	0.752	80%	0.801	S	S	*	*			trans	85.4	95.6	164.9	-54.4	172.3	128.5	0	0	117.6
311	D	33.6	Very low	32.6	Very low	170 Å²	170	149 Å²	149	91%	0.909	80%	0.801	S	S	*	*			trans	-101.6	122.1	151.9	-87	-51	0	0	0	109.5
312	Y	29.3	Very low	32.4	Very low	201 Å²	201	149.3 Å²	149.3	79%	0.788	80%	0.802	S	S	*	*			trans	-118	133.6	167.5	-90.5	-97	0	0	0	108.4
313	L	34	Very low	32	Very low	174 Å²	174	148.8 Å²	148.8	91%	0.911	80%	0.797	S	S	*	*			trans	-110.1	123.3	164.2	-70.7	178.3	0	0	0	110.2
314	M	27.9	Very low	31.8	Very low	170 Å²	170	148 Å²	148	84%	0.837	79%	0.792	S	S	*	*			trans	-87.2	147.8	166.4	-71.5	176.6	54.2	0	0	110
315	I	30.7	Very low	31.7	Very low	165 Å²	165	147 Å²	147	85%	0.846	79%	0.787	S	S	*	*			trans	-127.7	145	149.8	-60.1	-177.6	0	0	0	106.8
316	S	31.2	Very low	31.6	Very low	92 Å²	92	150.1 Å²	150.1	64%	0.643	79%	0.791	S	S	*	*			trans	-82.6	165.2	-168.8	43	0	0	0	0	114.3
317	L	32.5	Very low	31.4	Very low	167 Å²	167	142.5 Å²	142.5	87%	0.874	79%	0.785	S	S	*	*			trans	-76.4	151.6	158.6	-67.7	164.2	0	0	0	109.6
318	D	33.9	Very low	31.2	Very low	163 Å²	163	144.2 Å²	144.2	87%	0.872	78%	0.784	S	S	*	*			trans	-124.9	155.9	158.3	-85.3	-53.6	0	0	0	109.1
319	E	38.6	Very low	31.6	Very low	188 Å²	188	145.6 Å²	145.6	88%	0.879	79%	0.789	S	S	*	*			trans	-129.6	124.7	-161.9	176.9	-179.5	-140.7	0	0	111.5
320	V	34.7	Very low	31.8	Very low	149 Å²	149	146.3 Å²	146.3	90%	0.903	79%	0.791	S	S	*	*			trans	-142.6	133.1	162.8	-174.1	0	0	0	0	107.7
321	G	29.7	Very low	31.7	Very low	65 Å²	65	145.9 Å²	145.9	67%	0.67	79%	0.793	S	S	*	*			trans	-120.4	-138.4	-173.9	0	0	0	0	0	114.2
322	E	31.9	Very low	31.3	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	79%	0.789	S	S	*	*			trans	80.7	138.6	-170.3	-65.5	-146.6	121.6	0	0	115.8
323	K	31.9	Very low	31.2	Very low	156 Å²	156	143.4 Å²	143.4	68%	0.678	79%	0.787	S	S	*	*			cis	-175.8	167.8	-19.2	-156.1	-176.2	-168.1	158.4	0	111.1
324	L	27.7	Very low	30.7	Very low	133 Å²	133	140.7 Å²	140.7	70%	0.696	78%	0.782	S	S	*	*			trans	72.3	153.5	160.6	-54.3	178.5	0	0	0	117.3
325	D	29.2	Very low	30.5	Very low	124 Å²	124	138 Å²	138	66%	0.663	78%	0.776	S	S	*	*			cis	-166.4	152.4	-40.5	-116	-10	0	0	0	110.6
326	I	29	Very low	30.3	Very low	147 Å²	147	137.8 Å²	137.8	75%	0.754	77%	0.771	S	S	*	*			trans	50.2	130.3	145.9	-57	161.3	0	0	0	120.7
327	G	28.3	Very low	30.1	Very low	74 Å²	74	139.8 Å²	139.8	76%	0.763	78%	0.779	S	S	*	*			trans	177.7	114	159.2	0	0	0	0	0	113.8
328	D	28.2	Very low	30.2	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	77%	0.772	S	S	*	*			trans	-92.1	159.7	-175.2	-64.8	-83.3	0	0	0	114.6
329	T	35.3	Very low	30.3	Very low	131 Å²	131	137.9 Å²	137.9	80%	0.804	76%	0.762	S	S	*	*			trans	-83.5	162.9	167.2	59	0	0	0	0	110.8
330	P	38.8	Very low	30.1	Very low	109 Å²	109	134.4 Å²	134.4	71%	0.708	75%	0.75	S	S	*	*				-162.3	147.9	86.9	41.3	-19.8	0	0	0	120.2
331	L	28.5	Very low	30.2	Very low	152 Å²	152	133.7 Å²	133.7	80%	0.796	73%	0.734	S	S	*	*				56.4	163.8	128.1	-63.6	171.1	0	0	0	125.9
332	E	26.2	Very low	30.4	Very low	175 Å²	175	136.6 Å²	136.6	82%	0.818	73%	0.731	S	S	*	*			trans	81.7	117.6	166.3	-49.7	-165.1	161.2	0	0	115.9
333	I	26.2	Very low	30.5	Very low	145 Å²	145	134.2 Å²	134.2	74%	0.744	72%	0.722	S	S	*	*			cis	94	123	29.2	-58.2	164.1	0	0	0	113.6
334	S	23.5	Very low	30.7	Very low	117 Å²	117	133.9 Å²	133.9	82%	0.818	72%	0.72	S	S	*	*			trans	-161.9	170.7	169.4	-70.9	0	0	0	0	109.4
335	T	25.5	Very low	31	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	72%	0.718	S	S	*	*			trans	-152.1	176.1	-164.9	35.6	0	0	0	0	113.7
336	E	26	Very low	31.2	Very low	161 Å²	161	136.2 Å²	136.2	75%	0.752	72%	0.724	S	S	*	*			trans	79.8	122.4	170.3	-58.5	128.5	-96	0	0	115.6
337	V	27.4	Very low	31.5	Very low	134 Å²	134	137.6 Å²	137.6	81%	0.812	73%	0.727	S	S	*	*			cis	90.9	146.5	17.6	-164.4	0	0	0	0	115.4
338	M	33.9	Very low	31.5	Very low	146 Å²	146	140.9 Å²	140.9	72%	0.719	73%	0.727	S	S	*	*			trans	89.2	142.5	169.4	-50.5	171.1	74.1	0	0	116.7
339	E	34.8	Very low	31.6	Very low	144 Å²	144	139 Å²	139	67%	0.673	73%	0.727	S	S	*	*			cis	-176.6	173.2	-6.6	-115.2	165.4	-164.1	0	0	112.5
340	D	36.2	Very low	31.2	Very low	115 Å²	115	140.7 Å²	140.7	62%	0.615	73%	0.725	S	S	*	*			trans	80.3	134.6	145.2	-81.7	6.9	0	0	0	120.9
341	K	35.8	Very low	30.6	Very low	133 Å²	133	142 Å²	142	58%	0.578	73%	0.731	S	S	*	*			cis	178.6	158.3	20.3	-124.7	177.2	177.3	-157.2	0	122.9
342	E	35.1	Very low	30.5	Very low	127 Å²	127	140.4 Å²	140.4	59%	0.593	72%	0.722	S	S	*	*			trans	89.2	115.9	134	-93.6	175.1	-152.4	0	0	124.1
343	I	33.9	Very low	30.4	Very low	122 Å²	122	141.3 Å²	141.3	63%	0.626	72%	0.724	S	S	*	*				121.9	97.4	118.7	-88.3	165	0	0	0	123.9
344	K	35.2	Very low	30.3	Very low	149 Å²	149	138.9 Å²	138.9	65%	0.648	72%	0.715	S	S	*	*				87.6	129.5	123	-77.4	174.8	163.2	-97.4	0	128
345	E	33.6	Very low	30.4	Very low	138 Å²	138	143 Å²	143	65%	0.645	71%	0.714	S	S	*	*				99.3	113.9	122.4	-80	170.7	167.6	0	0	125.4
346	E	34.3	Very low	30.5	Very low	169 Å²	169	145.2 Å²	145.2	79%	0.79	72%	0.72	S	S	*	*			trans	83.8	118.2	130.2	-78.5	-175.9	163.9	0	0	126.4
347	E	34.4	Very low	30.8	Very low	176 Å²	176	146.4 Å²	146.4	82%	0.822	72%	0.723	S	S	*	*				83.5	115	126.2	-149.4	178	-131.7	0	0	124.3
348	D	29.1	Very low	30.9	Very low	142 Å²	142	148.1 Å²	148.1	76%	0.759	72%	0.72	S	S	*	*			trans	13.9	142.9	149.8	-63.5	-0.4	0	0	0	124.9
349	S	29.8	Very low	31	Very low	122 Å²	122	145.2 Å²	145.2	85%	0.853	72%	0.719	S	S	*	*				169.1	138.4	108.4	-77.5	0	0	0	0	116
350	E	26.6	Very low	30.7	Very low	165 Å²	165	146 Å²	146	77%	0.771	72%	0.722	S	S	*	*			trans	-80.4	154.3	166.8	-61.7	-171.6	111.4	0	0	114.2
351	V	26	Very low	30.6	Very low	137 Å²	137	144 Å²	144	83%	0.83	72%	0.722	S	S	*	*			trans	-146.5	123.8	142.4	-170.6	0	0	0	0	112.6
352	I	26.3	Very low	30.5	Very low	118 Å²	118	145 Å²	145	61%	0.605	73%	0.734	S	S	*	*			trans	-99.4	138.1	172.2	-63.8	171.8	0	0	0	111.4	V354	I352-V354 HydrophobicContact CG2-CB 4.46Å; I352-V354 HydrophobicContact CG2-CG2 3.53Å
353	K	24.5	Very low	30.5	Very low	195 Å²	195	146.2 Å²	146.2	85%	0.848	74%	0.744	S	S	*	*			trans	-158.7	52.9	165	-118.8	155.4	-165.7	162.6	0	119.6
354	V	25	Very low	30.6	Very low	93 Å²	93	147.6 Å²	147.6	56%	0.564	75%	0.753	S	S	*	*				31.6	129.7	119.2	166.5	0	0	0	0	121.1	I352	I352-V354 HydrophobicContact CG2-CB 4.46Å; I352-V354 HydrophobicContact CG2-CG2 3.53Å
355	Y	25	Very low	30.8	Very low	204 Å²	204	148.4 Å²	148.4	80%	0.8	76%	0.763	S	S	*	*			trans	68.3	146	163.5	-56.4	-32.7	0	0	0	118.2
356	I	27.5	Very low	30.6	Very low	160 Å²	160	145.7 Å²	145.7	82%	0.821	77%	0.773	S	S	*	*			cis	-140	160.1	28.6	-105.9	107.9	0	0	0	112.6
357	F	33.6	Very low	30.4	Very low	186 Å²	186	141.5 Å²	141.5	82%	0.816	78%	0.775	S	S	*	*			trans	-73.2	153.8	174.1	-67.9	-101.7	0	0	0	114.8
358	K	28.4	Very low	30.5	Very low	170 Å²	170	139.5 Å²	139.5	74%	0.739	78%	0.775	S	S	*	*			trans	-145.3	142.9	136.4	-163.4	165.8	177.8	-72.4	0	109.9	E360	K358-E360 VanDerWaalsContact NZ-CD 3.28Å; K358-E360 IonicContact NZ-OE1 2.65Å; K358-E360 PolarHBondContact NZ-OE1 3.26Å; K358-E360 IonicContact NZ-OE2 3.75Å; K358-E360 PolarHBondContact NZ-OE2 3.44Å
359	A	36.6	Very low	30.4	Very low	85 Å²	85	142 Å²	142	70%	0.702	78%	0.782	S	S	*	*			trans	-116.3	142.8	-177.3	0	0	0	0	0	111.1
360	E	27.4	Very low	30.8	Very low	159 Å²	159	142 Å²	142	74%	0.743	78%	0.776	S	S	*	*			trans	-176.7	150.8	169	-94.5	131.8	-132.2	0	0	104.3	K358	K358-E360 VanDerWaalsContact NZ-CD 3.28Å; K358-E360 IonicContact NZ-OE1 2.65Å; K358-E360 PolarHBondContact NZ-OE1 3.26Å; K358-E360 IonicContact NZ-OE2 3.75Å; K358-E360 PolarHBondContact NZ-OE2 3.44Å
361	A	33.7	Very low	30.9	Very low	74 Å²	74	141.7 Å²	141.7	61%	0.612	78%	0.778	S	S	*	*			cis	-168.7	166.4	-29.5	0	0	0	0	0	106.3
362	D	33.5	Very low	31.7	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	77%	0.767	S	S	*	*			trans	66	154.6	154.3	-48.4	-25.5	0	0	0	121
363	D	36.6	Very low	32.2	Very low	152 Å²	152	141.6 Å²	141.6	81%	0.813	77%	0.773	S	S	*	*			trans	-69.7	166.6	-177.4	-45.7	-77.3	0	0	0	113.6
364	D	36.6	Very low	32.5	Very low	152 Å²	152	139.6 Å²	139.6	81%	0.813	77%	0.772	S	S	*	*				-175.6	-176	96.3	-140.2	-29.1	0	0	0	113.2
365	L	37.6	Very low	33	Very low	165 Å²	165	141.2 Å²	141.2	86%	0.864	78%	0.777	S	S	*	*			trans	-95.2	165.8	-166.6	-64.3	159.6	0	0	0	115.3
366	G	30.4	Very low	33.2	Very low	81 Å²	81	140.4 Å²	140.4	84%	0.835	77%	0.774	S	S	*	*			trans	106.8	153.5	157.8	0	0	0	0	0	115.5
367	G	29.1	Very low	33.3	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	77%	0.772	S	S	*	*			cis	-169.4	170.8	-1.8	0	0	0	0	0	111.9
368	T	36.4	Very low	33.3	Very low	134 Å²	134	140 Å²	140	82%	0.822	78%	0.777	S	S	*	*			trans	-88.2	144.3	179.5	50.8	0	0	0	0	112.6
369	E	27.7	Very low	33.2	Very low	194 Å²	194	135.3 Å²	135.3	91%	0.907	78%	0.777	S	S	*	*			trans	-123.9	155.8	154.3	-76	-161.4	138.9	0	0	111.3
370	V	38.6	Very low	33.1	Very low	122 Å²	122	139.4 Å²	139.4	74%	0.739	78%	0.781	S	S	*	*			trans	-135.7	136.1	-176	174.5	0	0	0	0	107.9
371	I	29.3	Very low	33.5	Very low	159 Å²	159	137.3 Å²	137.3	82%	0.815	78%	0.782	S	S	*	*			trans	-132.8	146.1	167.5	-59.8	-177.4	0	0	0	108.5
372	T	41.5	Very low	33.1	Very low	97 Å²	97	139.7 Å²	139.7	60%	0.595	78%	0.784	S	S	*	*			trans	-112.4	-165.2	-165.7	35.4	0	0	0	0	113
373	E	36.6	Very low	32.8	Very low	156 Å²	156	138.9 Å²	138.9	73%	0.729	78%	0.779	S	S	*	*			trans	77.3	140.6	169.9	-64.7	125.5	-105.3	0	0	116.5
374	D	32.1	Very low	32.2	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	78%	0.781	S	S	*	*			cis	-156	175.3	-1.9	-121.5	-5.2	0	0	0	113.9
375	D	34.2	Very low	31.9	Very low	127 Å²	127	137 Å²	137	68%	0.679	77%	0.774	S	S	*	*			trans	-68.7	147.3	-177.4	-84.9	-48.7	0	0	0	116.1
376	Y	29.8	Very low	31.4	Very low	187 Å²	187	133.7 Å²	133.7	73%	0.733	77%	0.771	S	S	*	*				167.8	142	99.5	-100.1	-56.1	0	0	0	118.4
377	Q	30.7	Very low	31.6	Very low	166 Å²	166	134.6 Å²	134.6	78%	0.776	76%	0.764	S	S	*	*			trans	73.2	145.1	140.8	-84.2	150.8	17.8	0	0	124.7
378	N	33.2	Very low	31.7	Very low	171 Å²	171	136.5 Å²	136.5	91%	0.914	77%	0.765	S	S	*	*			trans	-76.3	152.4	174.5	-65.7	-48.9	0	0	0	112.9
379	G	25.3	Very low	31.4	Very low	73 Å²	73	133.9 Å²	133.9	75%	0.753	76%	0.764	S	S	*	*			trans	178	109.2	159.9	0	0	0	0	0	114.6
380	H	35.4	Very low	31.6	Very low	170 Å²	170	135.1 Å²	135.1	79%	0.787	76%	0.761	S	S	*	*			trans	-88	136.8	164.5	-164.7	-73.4	0	0	0	108.8	D382	H380-D382 IonicContact CE1-OD2 3.41Å
381	P	35.9	Very low	31.3	Very low	116 Å²	116	136.6 Å²	136.6	75%	0.753	76%	0.764	S	S	*	*			trans	-132.2	148.2	144	36.3	-25.7	0	0	0	112.7
382	D	24.5	Very low	31.4	Very low	123 Å²	123	132.2 Å²	132.2	66%	0.658	76%	0.758	S	S	*	*			trans	-98.1	158.8	168.4	-124.9	-40.4	0	0	0	109.8	H380	H380-D382 IonicContact CE1-OD2 3.41Å
383	L	28.1	Very low	31	Very low	138 Å²	138	134.3 Å²	134.3	72%	0.723	77%	0.77	S	S	*	*			trans	56.2	124.8	153.6	-62.3	167.5	0	0	0	122.1
384	E	24.3	Very low	30.5	Very low	182 Å²	182	129.8 Å²	129.8	85%	0.85	77%	0.765	S	S	*	*			trans	63.1	149.3	134.3	-68.1	-160.9	176	0	0	121.9
385	A	29.1	Very low	30.4	Very low	82 Å²	82	133.2 Å²	133.2	68%	0.678	77%	0.767	S	S	*	*			cis	-171.1	178.1	-14.5	0	0	0	0	0	110.3
386	A	28.4	Very low	30	Very low	96 Å²	96	133.3 Å²	133.3	79%	0.793	77%	0.767	S	S	*	*			trans	73	143	157	0	0	0	0	0	119.7
387	S	32.9	Very low	30	Very low	99 Å²	99	132.6 Å²	132.6	69%	0.692	77%	0.768	S	S	*	*			cis	-167.8	171.2	-16.6	64.1	0	0	0	0	112.8
388	S	32.3	Very low	29.9	Very low	122 Å²	122	132.2 Å²	132.2	85%	0.853	77%	0.768	S	S	*	*			trans	74	118.6	155.3	-51.9	0	0	0	0	117.4
389	G	29.1	Very low	29.6	Very low	78 Å²	78	129.1 Å²	129.1	80%	0.804	76%	0.755	S	S	*	*			cis	-170.6	-139	2.8	0	0	0	0	0	110.1
390	R	33.1	Very low	29.6	Very low	221 Å²	221	135.2 Å²	135.2	83%	0.834	76%	0.757	S	S	*	*			cis	-172.4	152.5	0.7	-163.1	176.7	-177.2	-98.9	2.4	110.2
391	L	32.7	Very low	29.3	Very low	153 Å²	153	135.2 Å²	135.2	80%	0.801	76%	0.759	S	S	*	*			trans	74.5	135.3	177.5	-51.2	171.7	0	0	0	115.8
392	G	30.4	Very low	29.4	Very low	67 Å²	67	134 Å²	134	69%	0.691	76%	0.759	S	S	*	*			cis	170.4	152.9	-14.5	0	0	0	0	0	116.2
393	V	32.3	Very low	29.7	Very low	141 Å²	141	134.7 Å²	134.7	86%	0.855	77%	0.767	S	S	*	*			trans	69.8	126.8	167.9	-166.2	0	0	0	0	116.4
394	G	26.6	Very low	30.2	Very low	60 Å²	60	136.6 Å²	136.6	62%	0.619	77%	0.77	S	S	*	*			cis	-175.9	144.6	-5.6	0	0	0	0	0	110.3
395	R	29.5	Very low	30.5	Very low	226 Å²	226	133.7 Å²	133.7	85%	0.853	76%	0.76	S	S	*	*				112.7	136.4	78.4	-87.9	178.2	-176.4	172.9	2.5	109.4
396	D	27.4	Very low	30.5	Very low	128 Å²	128	134.8 Å²	134.8	68%	0.684	76%	0.758	S	S	*	*			cis	-171.5	168.8	-13.9	-147.1	-33.5	0	0	0	110.7
397	K	29.9	Very low	30.5	Very low	173 Å²	173	136.9 Å²	136.9	75%	0.752	76%	0.755	S	S	*	*			trans	85.4	122.3	172	-57.5	161.3	-174.8	177.1	0	116.1
398	M	27	Very low	30.5	Very low	157 Å²	157	139.4 Å²	139.4	77%	0.773	75%	0.753	S	S	*	*				83.5	140.4	56.2	-77.2	-167.7	-94.8	0	0	113
399	V	27.5	Very low	30.6	Very low	107 Å²	107	139.6 Å²	139.6	65%	0.648	74%	0.741	S	S	*	*			cis	-161.2	139.7	26.4	103.8	0	0	0	0	113.6
400	Y	25.4	Very low	31.1	Very low	201 Å²	201	143.1 Å²	143.1	79%	0.788	74%	0.736	S	S	*	*			trans	62.3	139.3	148.5	-73.6	-126.3	0	0	0	125.8
401	M	28.3	Very low	31.3	Very low	169 Å²	169	140.1 Å²	140.1	83%	0.833	73%	0.732	S	S	*	*			trans	17.5	118.8	143.5	-63.2	176.8	65.5	0	0	122.7
402	A	38.5	Very low	31.6	Very low	92 Å²	92	139.7 Å²	139.7	76%	0.76	73%	0.73	S	S	*	*			trans	22.8	130.8	136.5	0	0	0	0	0	122
403	V	31.3	Very low	31.9	Very low	137 Å²	137	145.5 Å²	145.5	83%	0.83	74%	0.74	S	S	*	*				-166	135	99.4	146.3	0	0	0	0	111.4
404	K	37.5	Very low	32.2	Very low	177 Å²	177	142.6 Å²	142.6	77%	0.77	73%	0.73	S	S	*	*			trans	26.5	135	154.7	-170.4	169.5	179.8	177.5	0	122
405	N	31.9	Very low	32.8	Very low	122 Å²	122	147.8 Å²	147.8	65%	0.652	74%	0.739	S	S	*	*			trans	104	127.6	147	-98	25.6	0	0	0	121.3
406	T	28.1	Very low	33.4	Very low	104 Å²	104	144 Å²	144	64%	0.638	74%	0.735	S	S	*	*			trans	79.6	108.5	135.7	51.7	0	0	0	0	124.2
407	I	29.7	Very low	34.1	Very low	141 Å²	141	144.1 Å²	144.1	72%	0.723	74%	0.736	S	S	*	*				94	128.4	112.9	-74.9	172.8	0	0	0	120.9
408	K	32.2	Very low	34.8	Very low	151 Å²	151	142.4 Å²	142.4	66%	0.657	74%	0.735	S	S	*	*			trans	66.4	121.9	155.6	-80.5	168.8	153.9	-84.5	0	118.5
409	E	34.3	Very low	35.5	Very low	126 Å²	126	141.3 Å²	141.3	59%	0.589	73%	0.732	S	S	*	*				99	149.7	103.7	-79.7	163.7	179.5	0	0	110.1
410	E	39.1	Very low	36.2	Very low	152 Å²	152	142.7 Å²	142.7	71%	0.71	74%	0.736	S	S	*	*			cis	-153.3	-163.9	10.9	-132.1	142.8	-136.9	0	0	111.9
411	E	38.9	Very low	37.1	Very low	159 Å²	159	139.1 Å²	139.1	74%	0.743	73%	0.73	S	S	*	*			trans	-53.8	145.1	-168.9	-65.8	151	169.5	0	0	121.4
412	D	37.9	Very low	37.9	Very low	144 Å²	144	137.5 Å²	137.5	77%	0.77	73%	0.725	S	S	*	*				49.7	158.2	118.7	-47.6	-22.8	0	0	0	126.4
413	E	36.5	Very low	38.2	Very low	189 Å²	189	139.5 Å²	139.5	88%	0.883	72%	0.723	S	S	*	*			trans	64.9	158.4	165.9	-61.3	-171.9	-171.5	0	0	118.1
414	A	39.6	Very low	38.7	Very low	80 Å²	80	138.3 Å²	138.3	66%	0.661	71%	0.712	S	S	*	*			cis	-165.3	-167.8	-27.2	0	0	0	0	0	108.9
415	E	39.5	Very low	38.9	Very low	169 Å²	169	135.1 Å²	135.1	79%	0.79	70%	0.703	S	S	*	*				-149.6	-168.6	-99.3	-92	155.5	121.1	0	0	110.9
416	D	41.2	Very low	39.3	Very low	145 Å²	145	135.5 Å²	135.5	78%	0.775	71%	0.706	S	S	*	*			trans	69.8	153.9	168.2	-51.6	-13.8	0	0	0	119.5
417	D	42.9	Very low	39.8	Very low	132 Å²	132	138.3 Å²	138.3	71%	0.706	71%	0.711	S	S	*	*			cis	-164.9	-168.2	-14.7	-116.3	-25.8	0	0	0	114.1
418	D	43.2	Very low	40.3	Very low	137 Å²	137	139.4 Å²	139.4	73%	0.733	71%	0.713	S	S	*	*			trans	80.4	147.5	155.5	-56.1	-28.4	0	0	0	120.7
419	D	43	Very low	40.8	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	71%	0.708	S	S	*	*			cis	-163	-171.5	1	-126.7	-25	0	0	0	114.6
420	D	41.6	Very low	41	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	71%	0.714	S	S	*	*			trans	79.9	140.4	165.8	-49.2	-14.8	0	0	0	119.9
421	D	44.7	Very low	41.2	Very low	126 Å²	126	135.3 Å²	135.3	67%	0.674	71%	0.714	S	S	*	*			cis	-173.3	136.5	-19.1	-101.1	-1.4	0	0	0	112.4
422	D	44.3	Very low	41.4	Very low	134 Å²	134	135 Å²	135	72%	0.717	72%	0.717	S	S	*	*				53.7	154.2	122.5	-64.2	10.7	0	0	0	125.1
423	D	44.1	Very low	41.7	Very low	134 Å²	134	135.6 Å²	135.6	72%	0.717	72%	0.72	S	S	*	*			cis	-168.2	-170.1	-24.2	-130.4	-20.6	0	0	0	114.5
424	D	43.3	Very low	42	Very low	113 Å²	113	132.7 Å²	132.7	60%	0.604	71%	0.711	S	S	*	*			trans	75	150.3	155.4	-61.5	-20.2	0	0	0	122
425	D	40.2	Very low	42	Very low	109 Å²	109	135.8 Å²	135.8	58%	0.583	72%	0.716	S	S	*	*			cis	-161.8	162.7	1	-126.3	-19.3	0	0	0	114.9
426	D	40.5	Very low	42.2	Very low	131 Å²	131	131.1 Å²	131.1	70%	0.701	70%	0.702	S	S	*	*			trans	50.2	160.4	148.2	-75.8	-19.4	0	0	0	125.4
427	E	39.6	Very low	41.9	Very low	163 Å²	163	131 Å²	131	76%	0.762	70%	0.702	S	S	*	*			cis	-158.9	157.5	-6.6	-124.9	-169.5	173.3	0	0	112.4
428	E	39.2	Very low	41.5	Very low	163 Å²	163	131.9 Å²	131.9	76%	0.762	70%	0.702	S	S	*	*			trans	37.6	163.9	141	-71.9	-58.3	161.6	0	0	125.5
429	S	42.6	Very low	41	Very low	77 Å²	77	131 Å²	131	54%	0.538	70%	0.696	S	S	.	*			cis	-159.1	-179.6	-3	55.5	0	0	0	0	114.9
430	D	40	Very low	40.4	Very low	135 Å²	135	127.8 Å²	127.8	72%	0.722	69%	0.693	S	S	*	*			trans	70.3	143.1	155.3	-52.2	-23.8	0	0	0	121.3
431	D	42.8	Very low	39.7	Very low	131 Å²	131	127.3 Å²	127.3	70%	0.701	69%	0.691	S	S	*	*			cis	-162.3	145.3	1.8	-115.8	-6.6	0	0	0	113.3
432	D	43.5	Very low	38.9	Very low	153 Å²	153	126.5 Å²	126.5	82%	0.818	69%	0.69	S	S	*	*			trans	38.5	159.6	142.4	-70.6	0.3	0	0	0	125
433	D	42.6	Very low	38.1	Very low	156 Å²	156	126.9 Å²	126.9	83%	0.834	69%	0.691	S	S	*	*			cis	-172.2	168.6	-2.1	150.2	86	0	0	0	109.3
434	D	43.6	Very low	37.5	Very low	129 Å²	129	126.2 Å²	126.2	69%	0.69	69%	0.688	S	S	*	*				-96.5	-101.7	-81.9	-179.2	36.8	0	0	0	113.9	S436	D434-S436 WeakPolarHBondContact OD2-CB 3.18Å
435	D	40.6	Very low	36.9	Very low	145 Å²	145	128.8 Å²	128.8	78%	0.775	70%	0.696	S	S	*	*			cis	-157.7	139.9	2.9	145.6	56.1	0	0	0	108.6
436	S	42.3	Very low	36.3	Very low	70 Å²	70	130 Å²	130	49%	0.49	71%	0.707	S	S	.	*			cis	-162	177.1	-30	57.7	0	0	0	0	109.1	D434	D434-S436 WeakPolarHBondContact OD2-CB 3.18Å
437	D	34.9	Very low	35.9	Very low	143 Å²	143	132.6 Å²	132.6	77%	0.765	71%	0.712	S	S	*	*			trans	62.1	141.3	159.2	-75	-3.3	0	0	0	123.5
438	E	35.4	Very low	35.3	Very low	151 Å²	151	132.4 Å²	132.4	71%	0.706	72%	0.716	S	S	*	*			cis	-163.1	155.4	-34.9	-131.6	-155.8	178.2	0	0	111.7
439	I	32.3	Very low	34.6	Very low	119 Å²	119	128.2 Å²	128.2	61%	0.61	72%	0.717	S	S	*	*			trans	23.5	141	142.6	-72.5	179.4	0	0	0	121.5
440	G	30	Very low	33.8	Very low	64 Å²	64	131.5 Å²	131.5	66%	0.66	73%	0.733	S	S	*	*			cis	161.9	-159.2	-5.2	0	0	0	0	0	115.1
441	N	27.6	Very low	33.1	Very low	128 Å²	128	129.5 Å²	129.5	68%	0.684	74%	0.736	S	S	*	*			trans	70.1	137.6	139.8	-63.2	-3.6	0	0	0	119.3
442	T	26.8	Very low	32.4	Very low	108 Å²	108	129.6 Å²	129.6	66%	0.663	74%	0.741	S	S	*	*			cis	-157.1	149.8	2.5	8.5	0	0	0	0	108
443	I	28.9	Very low	32.4	Very low	143 Å²	143	127.5 Å²	127.5	73%	0.733	74%	0.736	S	S	*	*				46.4	121.9	95.2	-54.6	-178.4	0	0	0	111.3
444	D	30.6	Very low	31.7	Very low	120 Å²	120	128.8 Å²	128.8	64%	0.642	73%	0.734	S	S	*	*			cis	-168	171	46.6	-142	-22.2	0	0	0	116.9
445	Q	31.6	Very low	31	Very low	166 Å²	166	129 Å²	129	78%	0.776	74%	0.735	S	S	*	*			trans	44.7	149.9	141.9	-90.5	167.6	79.3	0	0	125.4
446	V	26.4	Very low	30.5	Very low	134 Å²	134	131.3 Å²	131.3	81%	0.812	74%	0.741	S	S	*	*			trans	-131.9	126	162.7	174.5	0	0	0	0	110.5
447	K	32.1	Very low	30	Very low	187 Å²	187	134.8 Å²	134.8	81%	0.813	75%	0.753	S	S	*	*			trans	-174.2	131.6	138.5	-104	155.2	-174.1	174.2	0	113.9
448	N	26.9	Very low	29.7	Very low	158 Å²	158	139.7 Å²	139.7	85%	0.845	76%	0.76	S	S	*	*			trans	57.4	124.6	150.7	-56.3	-12.3	0	0	0	120.8
449	G	25.3	Very low	29.5	Very low	75 Å²	75	141.2 Å²	141.2	77%	0.773	77%	0.767	S	S	*	*			trans	170.9	34.9	166.3	0	0	0	0	0	123.4
450	V	25.5	Very low	29.5	Very low	146 Å²	146	139.2 Å²	139.2	89%	0.885	78%	0.776	S	S	*	*			trans	49.2	124.2	152.5	179.4	0	0	0	0	120.9
451	A	26.4	Very low	29.7	Very low	94 Å²	94	144.7 Å²	144.7	78%	0.777	79%	0.79	S	S	*	*			trans	84.1	149.1	152.2	0	0	0	0	0	122.2
452	T	27.6	Very low	29.8	Very low	133 Å²	133	141.8 Å²	141.8	82%	0.816	79%	0.79	S	S	*	*			trans	-78.9	173.9	171.9	43.8	0	0	0	0	111.1
453	P	43.3	Very low	30	Very low	109 Å²	109	143 Å²	143	71%	0.708	80%	0.797	S	S	*	*			cis	-150	176.4	25.9	45.4	-24.9	0	0	0	120.1
454	F	27.7	Very low	30.3	Very low	183 Å²	183	142.7 Å²	142.7	80%	0.803	80%	0.797	S	S	*	*			trans	61.2	120.9	142.4	-96.2	-122.9	0	0	0	123.4
455	L	29.4	Very low	30.5	Very low	133 Å²	133	147.7 Å²	147.7	70%	0.696	81%	0.807	S	S	*	*			trans	33.8	128.1	131.8	-55.5	-177.1	0	0	0	120.8
456	Q	28.8	Very low	30.3	Very low	194 Å²	194	143.9 Å²	143.9	91%	0.907	80%	0.804	S	S	*	*				-164.4	161.4	94	-106	-177.5	13.6	0	0	114.7
457	I	32.2	Very low	30.6	Very low	143 Å²	143	145.7 Å²	145.7	73%	0.733	81%	0.807	S	S	*	*			trans	-107.2	148.2	-177.9	-61.3	161.7	0	0	0	109.1
458	R	29.3	Very low	30.5	Very low	246 Å²	246	146 Å²	146	93%	0.928	81%	0.809	S	S	*	*			trans	-154.6	146.4	146.6	-123.3	169	-173.1	166.9	3.9	115.9
459	E	31.7	Very low	31.3	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	80%	0.798	S	S	*	*			trans	-98.5	168.5	-179.4	-54.9	150.3	108	0	0	111.4
460	G	32	Very low	31.6	Very low	77 Å²	77	148.7 Å²	148.7	79%	0.794	80%	0.801	S	S	*	*			trans	-166.6	82.3	179.3	0	0	0	0	0	115.7
461	L	32.6	Very low	32.4	Very low	180 Å²	180	146.4 Å²	146.4	94%	0.942	79%	0.789	S	S	*	*			trans	-63.3	135.6	-173.7	-62.6	162.9	0	0	0	115.5
462	G	30.2	Very low	32.7	Very low	67 Å²	67	150.8 Å²	150.8	69%	0.691	79%	0.791	S	S	*	*			trans	-77.4	-151.4	179.1	0	0	0	0	0	118.2
463	T	32.3	Very low	33.2	Very low	132 Å²	132	153.2 Å²	153.2	81%	0.81	79%	0.79	S	S	*	*			trans	-171.8	146	162.7	20.4	0	0	0	0	114.6
464	N	34	Very low	32.7	Very low	137 Å²	137	155.3 Å²	155.3	73%	0.733	80%	0.795	S	S	*	*			trans	25.1	150.7	138.7	-65.7	-65.3	0	0	0	122.5
465	R	34.5	Very low	33	Very low	226 Å²	226	155.3 Å²	155.3	85%	0.853	80%	0.795	S	S	*	*			cis	-163.1	147.6	9.6	-133.8	172.3	-178.7	177.8	-1.3	114.1
466	A	29	Very low	33.4	Very low	86 Å²	86	156.2 Å²	156.2	71%	0.711	79%	0.793	S	S	*	*			trans	23.6	136.9	146.4	0	0	0	0	0	124.5
467	I	31.8	Very low	33.3	Very low	172 Å²	172	150.9 Å²	150.9	88%	0.882	79%	0.791	S	S	*	*				-158.4	165.1	113.7	-98.9	157.7	0	0	0	110.4
468	K	30.5	Very low	33.3	Very low	194 Å²	194	150.3 Å²	150.3	84%	0.843	79%	0.785	S	S	*	*			trans	-165.6	174.3	-167.6	-112.4	176.7	-175.8	171.3	0	108.7
469	P	44.1	Very low	33.6	Very low	96 Å²	96	145 Å²	145	62%	0.623	78%	0.78	S	S	*	*			cis	-145.5	-176.3	-13.5	37.6	-17	0	0	0	117.2
470	K	31.2	Very low	33.7	Very low	193 Å²	193	146.3 Å²	146.3	84%	0.839	78%	0.777	S	S	*	*			trans	76	165.2	138.1	-94.2	173	-171.8	179.6	0	119.9
471	P	42.2	Very low	34	Very low	97 Å²	97	151.6 Å²	151.6	63%	0.63	78%	0.781	S	S	*	*			cis	-137.4	177.4	-10.4	38.2	-19.8	0	0	0	117.3
472	K	32.9	Very low	34.2	Very low	186 Å²	186	147.2 Å²	147.2	81%	0.809	76%	0.764	S	S	*	*			trans	77.8	135.3	164.1	-54.5	172.2	-171.9	172.6	0	116.2
473	K	37	Very low	34.9	Very low	184 Å²	184	152.5 Å²	152.5	80%	0.8	77%	0.771	S	S	*	*			cis	-155	124.5	-10.2	-110.8	178.4	-178.8	-174.7	0	110.1
474	N	32.3	Very low	35.5	Very low	153 Å²	153	150.3 Å²	150.3	82%	0.818	76%	0.758	S	S	*	*			trans	28.1	145.3	139.2	-68.7	5.8	0	0	0	122.8
475	K	35.9	Very low	36.6	Very low	183 Å²	183	145.7 Å²	145.7	80%	0.796	74%	0.738	S	S	*	*			cis	-171.5	111.4	-7.7	177.5	-179.8	-177.6	-172.6	0	112.6
476	K	35.9	Very low	37.5	Very low	152 Å²	152	139 Å²	139	66%	0.661	72%	0.722	S	S	*	*			trans	40.5	123.8	132.9	-144.2	179.7	-168.8	-155.5	0	120.5	E478	K476-E478 HydrophobicContact CD-CG 4.18Å; K476-E478 VanDerWaalsContact CD-OE2 3.27Å; K476-E478 WeakPolarHBondContact CD-OE2 3.47Å; K476-E478 WeakPolarHBondContact CE-OE1 3.4Å; K476-E478 WeakPolarHBondContact CE-OE2 3.15Å; K476-E478 HydrophobicContact CG-CG 4.23Å; K476-E478 IonicContact NZ-OE1 3.25Å; K476-E478 PolarHBondContact NZ-OE1 2.98Å; K476-E478 IonicContact NZ-OE2 2.55Å; K476-E478 PolarHBondContact NZ-OE2 3.33Å
477	G	27.7	Very low	38.8	Very low	83 Å²	83	138.2 Å²	138.2	86%	0.856	71%	0.705	S	S	*	*			trans	-122.5	110.8	156.8	0	0	0	0	0	110.6
478	E	32	Very low	39.5	Very low	131 Å²	131	135.8 Å²	135.8	61%	0.612	69%	0.693	S	S	*	*			trans	-88.5	139.5	-169.9	-101.9	162	129.6	0	0	115	K476 R480	K476-E478 HydrophobicContact CD-CG 4.18Å; K476-E478 VanDerWaalsContact CD-OE2 3.27Å; K476-E478 WeakPolarHBondContact CD-OE2 3.47Å; K476-E478 WeakPolarHBondContact CE-OE1 3.4Å; K476-E478 WeakPolarHBondContact CE-OE2 3.15Å; K476-E478 HydrophobicContact CG-CG 4.23Å; K476-E478 IonicContact NZ-OE1 3.25Å; K476-E478 PolarHBondContact NZ-OE1 2.98Å; K476-E478 IonicContact NZ-OE2 2.55Å; K476-E478 PolarHBondContact NZ-OE2 3.33Å; E478-R480 PolarHBondContact O-N 3.09Å
479	T	34.9	Very low	40.3	Very low	134 Å²	134	127.7 Å²	127.7	82%	0.822	67%	0.665	S	S	*	*			trans	-61.8	109.7	158.4	43.5	0	0	0	0	109.5	Q481	T479-Q481 PolarHBondContact O-N 2.86Å
480	R	35.2	Very low	40.6	Very low	209 Å²	209	129.4 Å²	129.4	79%	0.789	68%	0.676	S	S	*	*			trans	-71.1	89.5	-177.6	-72	-172.8	174.1	-167.8	-1.5	111.9	E478 C482	E478-R480 PolarHBondContact O-N 3.09Å; R480-C482 PolarHBondContact O-N 3.18Å
481	Q	36.9	Very low	41.8	Very low	189 Å²	189	126.6 Å²	126.6	88%	0.883	67%	0.67	S	S	*	*			trans	-54	130.4	161.1	-98.4	178.2	-13.9	0	0	109.8	T479 Q483	T479-Q481 PolarHBondContact O-N 2.86Å; Q481-Q483 PolarHBondContact O-N 3.16Å
482	C	37.4	Very low	42.1	Very low	87 Å²	87	124.5 Å²	124.5	59%	0.588	67%	0.666	S	S	*	*			trans	-79.6	113.1	171.9	-54.4	0	0	0	0	108.9	R480 T484	R480-C482 PolarHBondContact O-N 3.18Å; C482-T484 PolarHBondContact O-N 3.26Å; C482-T484 VanDerWaalsContact O-N 3.09Å
483	Q	45.3	Very low	42.6	Very low	178 Å²	178	122.3 Å²	122.3	83%	0.832	66%	0.66	S	S	*	*			trans	-66.1	108.8	171.7	-76.1	-179.5	-33.4	0	0	110.2	Q481	Q481-Q483 PolarHBondContact O-N 3.16Å
484	T	44.8	Very low	43.2	Very low	87 Å²	87	117.9 Å²	117.9	53%	0.534	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-79.8	122.4	166.9	45.4	0	0	0	0	109.4	C482 Y498	C482-T484 PolarHBondContact O-N 3.26Å; C482-T484 VanDerWaalsContact O-N 3.09Å; T484-Y498 HydrophobicContact CG2-CD1 4.33Å; T484-Y498 HydrophobicContact CG2-CE1 3.92Å
485	A	57.4	Low	44.4	Very low	39 Å²	39	114.4 Å²	114.4	32%	0.322	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99	116.7	173.1	0	0	0	0	0	109	V497	A485-V497 PolarHBondContact N-O 2.97Å; A485-V497 WeakPolarHBondContact O-CA 3.33Å; A485-V497 WeakPolarHBondContact O-CB 3.3Å; A485-V497 PolarHBondContact O-N 3.45Å
486	V	54.1	Low	45.6	Very low	86 Å²	86	109.1 Å²	109.1	52%	0.521	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.1	126.5	166.7	-179	0	0	0	0	107.6	P494 L495 T496	V486-P494 HydrophobicContact CG1-CB 3.58Å; V486-L495 WeakPolarHBondContact CA-O 3.25Å; V486-T496 HydrophobicContact CG2-CG2 4.46Å
487	I	56.4	Low	47.1	Very low	69 Å²	69	102.6 Å²	102.6	35%	0.354	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.1	118.1	172.6	-55.1	-177.6	0	0	0	107	L495 V497 K506	I487-L495 PolarHBondContact N-O 3.34Å; I487-L495 PolarHBondContact O-N 3.14Å; I487-L495 VanDerWaalsContact O-N 3.09Å; I487-V497 HydrophobicContact CB-CG2 4.39Å; I487-V497 HydrophobicContact CD1-CB 4.42Å; I487-V497 HydrophobicContact CD1-CG2 4.12Å; I487-V497 HydrophobicContact CG1-CG2 4.18Å; I487-K506 HydrophobicContact CD1-CD 4.07Å
488	I	45.9	Very low	49.3	Very low	121 Å²	121	101.2 Å²	101.2	62%	0.621	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.2	123.1	175.6	-57.7	174.2	0	0	0	107.2
489	G	47.1	Very low	51	Low	24 Å²	24	97.1 Å²	97.1	25%	0.247	54%	0.542	C	S	.	.			trans	-75.8	170.6	172.3	0	0	0	0	0	112.1	D491 G492 M493	G489-D491 PolarHBondContact O-N 2.88Å; G489-D491 VanDerWaalsContact O-N 3.15Å; G489-G492 PolarHBondContact O-N 3.09Å; G489-G492 VanDerWaalsContact O-N 3.1Å; G489-M493 PolarHBondContact N-O 2.95Å
490	P	50	Low	52.9	Low	132 Å²	132	90.9 Å²	90.9	86%	0.857	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.1	174.7	25.5	-33.5	0	0	0	112.3	G492	P490-G492 PolarHBondContact O-N 3.42Å
491	D	55.8	Low	54.6	Low	134 Å²	134	86.7 Å²	86.7	72%	0.717	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	15.1	-179.5	-34.3	-70.8	0	0	0	113.5	G489 M493	G489-D491 PolarHBondContact O-N 2.88Å; G489-D491 VanDerWaalsContact O-N 3.15Å; D491-M493 PolarHBondContact O-N 3.01Å
492	G	49.4	Very low	55.9	Low	53 Å²	53	80.6 Å²	80.6	55%	0.546	47%	0.465	S	S	.	.	S	Bend	trans	74.3	-15.4	172.3	0	0	0	0	0	116.8	G489 P490	G489-G492 PolarHBondContact O-N 3.09Å; G489-G492 VanDerWaalsContact O-N 3.1Å; P490-G492 PolarHBondContact O-N 3.42Å
493	M	43.6	Very low	57.7	Low	140 Å²	140	79.1 Å²	79.1	69%	0.69	46%	0.455	S	S	*	.			trans	-72.1	132.6	-179.7	-68.4	-163.1	-72.3	0	0	112.8	G489 D491 L495	G489-M493 PolarHBondContact N-O 2.95Å; D491-M493 PolarHBondContact O-N 3.01Å; M493-L495 PolarHBondContact O-N 3.13Å
494	P	49.4	Very low	58.7	Low	92 Å²	92	73 Å²	73	60%	0.597	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	100.5	-179.7	31.2	-33.8	0	0	0	111.8	V486 T496	V486-P494 HydrophobicContact CG1-CB 3.58Å; P494-T496 PolarHBondContact O-N 3.47Å
495	L	57.3	Low	60.1	Low	80 Å²	80	75.1 Å²	75.1	42%	0.419	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118	173.3	-79.4	162.5	0	0	0	110.5	V486 I487 M493 V497	V486-L495 WeakPolarHBondContact CA-O 3.25Å; I487-L495 PolarHBondContact N-O 3.34Å; I487-L495 PolarHBondContact O-N 3.14Å; I487-L495 VanDerWaalsContact O-N 3.09Å; M493-L495 PolarHBondContact O-N 3.13Å; L495-V497 HydrophobicContact CB-CG2 4.42Å; L495-V497 PolarHBondContact O-N 3.34Å
496	T	61.8	Low	60.9	Low	71 Å²	71	80 Å²	80	44%	0.436	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	111.8	169.8	53.6	0	0	0	0	110	V486 P494	V486-T496 HydrophobicContact CG2-CG2 4.46Å; P494-T496 PolarHBondContact O-N 3.47Å
497	V	67.6	Low	61.9	Low	16 Å²	16	77.8 Å²	77.8	10%	0.097	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.6	-176.8	-178.6	0	0	0	0	110.5	A485 I487 L495 P499 K506	A485-V497 PolarHBondContact N-O 2.97Å; A485-V497 WeakPolarHBondContact O-CA 3.33Å; A485-V497 WeakPolarHBondContact O-CB 3.3Å; A485-V497 PolarHBondContact O-N 3.45Å; I487-V497 HydrophobicContact CB-CG2 4.39Å; I487-V497 HydrophobicContact CD1-CB 4.42Å; I487-V497 HydrophobicContact CD1-CG2 4.12Å; I487-V497 HydrophobicContact CG1-CG2 4.18Å; L495-V497 HydrophobicContact CB-CG2 4.42Å; L495-V497 PolarHBondContact O-N 3.34Å; V497-P499 WeakPolarHBondContact O-CD 3.5Å; V497-K506 HydrophobicContact CG1-CB 3.5Å; V497-K506 VanDerWaalsContact CG1-CB 3.5Å; V497-K506 HydrophobicContact CG1-CD 4.08Å; V497-K506 HydrophobicContact CG1-CG 3.68Å
498	Y	72.6	Confident	62.3	Low	54 Å²	54	84.1 Å²	84.1	21%	0.212	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	94.6	179	-60.8	-85	0	0	0	109.6	T484 F507 R510	T484-Y498 HydrophobicContact CG2-CD1 4.33Å; T484-Y498 HydrophobicContact CG2-CE1 3.92Å; Y498-F507 PolarHBondContact N-O 2.92Å; Y498-F507 PolarHBondContact O-N 3.19Å; Y498-R510 HydrophobicContact CD1-CB 4.34Å; Y498-R510 HydrophobicContact CE1-CB 4.17Å; Y498-R510 HydrophobicContact CE2-CB 4.42Å
499	P	67.6	Low	63.5	Low	45 Å²	45	80.3 Å²	80.3	29%	0.292	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.3	176.6	29.7	-34.7	0	0	0	111.8	V497 H501 K505 K506	V497-P499 WeakPolarHBondContact O-CD 3.5Å; P499-H501 PolarHBondContact O-N 2.86Å; P499-K505 CarbonylContact C-O 3.6Å; P499-K506 HydrophobicContact CB-CG 4.46Å
500	C	75.9	Confident	64.5	Low	2 Å²	2	86.3 Å²	86.3	1%	0.014	46%	0.458	C	S	.	.			trans	-71.8	122.7	167.1	-176.3	0	0	0	0	109.9	I502 G504 K505 F507 L513	C500-I502 PolarHBondContact O-N 2.8Å; C500-G504 VanDerWaalsContact O-CA 3.25Å; C500-G504 WeakPolarHBondContact O-CA 3.25Å; C500-G504 PolarHBondContact O-N 3.49Å; C500-K505 PolarHBondContact N-O 3.41Å; C500-F507 HydrophobicContact CB-CE2 4.14Å; C500-L513 HydrophobicContact CB-CD1 3.7Å
501	H	70.3	Confident	65.4	Low	121 Å²	121	82.2 Å²	82.2	56%	0.56	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	0.9	-178.5	66.6	-90.3	0	0	0	114.3	P499	P499-H501 PolarHBondContact O-N 2.86Å
502	I	65	Low	66.2	Low	62 Å²	62	82.6 Å²	82.6	32%	0.318	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-38.5	177.7	-52.5	175.5	0	0	0	110.8	C500 H520	C500-I502 PolarHBondContact O-N 2.8Å; I502-H520 HydrophobicContact CD1-CB 3.75Å; I502-H520 WeakPolarHBondContact CG2-ND1 3.43Å
503	C	73.8	Confident	67.4	Low	55 Å²	55	81 Å²	81	37%	0.372	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	10.5	-175.3	67.1	0	0	0	0	115.5	K505 H516 H520	C503-K505 PolarHBondContact O-N 2.65Å; C503-H516 PolarHBondContact SG-NE2 3.21Å; C503-H520 PolarHBondContact SG-CE1 3.13Å
504	G	66.9	Low	68.7	Low	49 Å²	49	82.2 Å²	82.2	51%	0.505	42%	0.415	S	S	.	.			trans	71.1	-13.4	177.5	0	0	0	0	0	116.6	C500 K506	C500-G504 VanDerWaalsContact O-CA 3.25Å; C500-G504 WeakPolarHBondContact O-CA 3.25Å; C500-G504 PolarHBondContact O-N 3.49Å; G504-K506 PolarHBondContact O-N 3.35Å
505	K	73.8	Confident	69.6	Low	133 Å²	133	81.6 Å²	81.6	58%	0.578	41%	0.412	S	S	*	.			trans	-55	130.5	-177.3	-69.7	-172.6	177.8	-172.8	0	111.5	P499 C500 C503 F507	P499-K505 CarbonylContact C-O 3.6Å; C500-K505 PolarHBondContact N-O 3.41Å; C503-K505 PolarHBondContact O-N 2.65Å; K505-F507 HydrophobicContact CB-CE2 3.7Å; K505-F507 HydrophobicContact CB-CZ 3.92Å; K505-F507 VanDerWaalsContact O-CD2 3.3Å; K505-F507 WeakPolarHBondContact O-CD2 3.32Å; K505-F507 VanDerWaalsContact O-CE2 3.25Å; K505-F507 WeakPolarHBondContact O-CE2 3.36Å
506	K	73.9	Confident	70.4	Confident	140 Å²	140	79.6 Å²	79.6	61%	0.609	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.2	-169.1	-81.3	177.1	-179.9	176.3	0	111.3	I487 V497 P499 G504	I487-K506 HydrophobicContact CD1-CD 4.07Å; V497-K506 HydrophobicContact CG1-CB 3.5Å; V497-K506 VanDerWaalsContact CG1-CB 3.5Å; V497-K506 HydrophobicContact CG1-CD 4.08Å; V497-K506 HydrophobicContact CG1-CG 3.68Å; P499-K506 HydrophobicContact CB-CG 4.46Å; G504-K506 PolarHBondContact O-N 3.35Å
507	F	76.8	Confident	70.8	Confident	41 Å²	41	78.1 Å²	78.1	18%	0.18	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.8	-177.3	-63.1	-85.6	0	0	0	112.3	Y498 C500 K505 S509 F512 L513 H516	Y498-F507 PolarHBondContact N-O 2.92Å; Y498-F507 PolarHBondContact O-N 3.19Å; C500-F507 HydrophobicContact CB-CE2 4.14Å; K505-F507 HydrophobicContact CB-CE2 3.7Å; K505-F507 HydrophobicContact CB-CZ 3.92Å; K505-F507 VanDerWaalsContact O-CD2 3.3Å; K505-F507 WeakPolarHBondContact O-CD2 3.32Å; K505-F507 VanDerWaalsContact O-CE2 3.25Å; K505-F507 WeakPolarHBondContact O-CE2 3.36Å; F507-S509 VanDerWaalsContact C-N 3.28Å; F507-S509 PolarHBondContact O-N 3.46Å; F507-F512 HydrophobicContact CB-CB 4.4Å; F507-F512 HydrophobicContact CD1-CB 3.9Å; F507-F512 HydrophobicContact CG-CB 4.48Å; F507-L513 HydrophobicContact CB-CB 4.14Å; F507-L513 HydrophobicContact CD2-CB 4.13Å; F507-L513 HydrophobicContact CD2-CD1 3.87Å; F507-L513 HydrophobicContact CE2-CD1 4.22Å; F507-L513 HydrophobicContact CG-CB 4.23Å; F507-H516 HydrophobicContact CE1-CB 3.92Å; F507-H516 HydrophobicContact CE2-CB 4.04Å; F507-H516 AromaticContact CE2-CD2 3.29Å; F507-H516 WeakPolarHBondContact CE2-CD2 3.25Å; F507-H516 AromaticContact CE2-CG 3.7Å; F507-H516 AromaticContact CE2-NE2 3.96Å; F507-H516 HydrophobicContact CZ-CB 3.57Å; F507-H516 AromaticContact CZ-CD2 3.3Å; F507-H516 WeakPolarHBondContact CZ-CD2 3.45Å; F507-H516 AromaticContact CZ-CG 3.24Å; F507-H516 AromaticContact CZ-ND1 3.77Å; F507-H516 AromaticContact CZ-NE2 3.85Å
508	R	63.6	Low	71	Confident	202 Å²	202	85.8 Å²	85.8	76%	0.762	42%	0.421	S	S	*	.	S	Bend	trans	-74.4	-12.1	176.3	-72.1	-176.3	173.9	-179.1	-2.9	114
509	S	70.4	Confident	70.2	Confident	40 Å²	40	89.2 Å²	89.2	28%	0.28	44%	0.443	S	S	.	.	S	Bend	trans	-141.4	151.7	173.1	95.3	0	0	0	0	112.9	F507 G511 F512 L513	F507-S509 VanDerWaalsContact C-N 3.28Å; F507-S509 PolarHBondContact O-N 3.46Å; S509-G511 PolarHBondContact O-N 3.22Å; S509-G511 PolarHBondContact OG-N 3.23Å; S509-F512 PolarHBondContact O-N 3.35Å; S509-F512 WeakPolarHBondContact OG-CD2 3.01Å; S509-F512 PolarHBondContact OG-N 3.42Å; S509-F512 VanDerWaalsContact OG-N 3.16Å; S509-L513 PolarHBondContact O-N 3.49Å; S509-L513 VanDerWaalsContact O-N 3.14Å
510	R	68.8	Low	69.9	Low	151 Å²	151	88.4 Å²	88.4	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-63.2	-26	173.7	-172.6	173.2	174.6	85.8	-6.7	112.3	Y498 K514	Y498-R510 HydrophobicContact CD1-CB 4.34Å; Y498-R510 HydrophobicContact CE1-CB 4.17Å; Y498-R510 HydrophobicContact CE2-CB 4.42Å; R510-K514 WeakPolarHBondContact O-CB 3.38Å; R510-K514 PolarHBondContact O-N 3.25Å
511	G	70.2	Confident	68.7	Low	46 Å²	46	92.9 Å²	92.9	47%	0.474	46%	0.464	S	S	.	.	H	α-helix	trans	-68.1	-49.3	174.2	0	0	0	0	0	112.4	S509 L513 K514 C515	S509-G511 PolarHBondContact O-N 3.22Å; S509-G511 PolarHBondContact OG-N 3.23Å; G511-L513 PolarHBondContact O-N 3.34Å; G511-K514 PolarHBondContact O-N 2.88Å; G511-K514 VanDerWaalsContact O-N 3.13Å; G511-C515 PolarHBondContact O-N 3.48Å
512	F	72	Confident	67.5	Low	141 Å²	141	91.9 Å²	91.9	62%	0.618	46%	0.463	S	S	*	.	H	α-helix	trans	-64.4	-39.2	176.6	-68.5	-61.3	0	0	0	112.1	F507 S509 K514 C515 H516	F507-F512 HydrophobicContact CB-CB 4.4Å; F507-F512 HydrophobicContact CD1-CB 3.9Å; F507-F512 HydrophobicContact CG-CB 4.48Å; S509-F512 PolarHBondContact O-N 3.35Å; S509-F512 WeakPolarHBondContact OG-CD2 3.01Å; S509-F512 PolarHBondContact OG-N 3.42Å; S509-F512 VanDerWaalsContact OG-N 3.16Å; F512-K514 VanDerWaalsContact C-N 3.35Å; F512-K514 PolarHBondContact O-N 2.82Å; F512-C515 PolarHBondContact O-N 2.84Å; F512-H516 VanDerWaalsContact O-CB 3.32Å; F512-H516 WeakPolarHBondContact O-CB 3.39Å; F512-H516 PolarHBondContact O-N 2.83Å
513	L	74.8	Confident	66.8	Low	19 Å²	19	94.2 Å²	94.2	10%	0.099	47%	0.473	C	S	.	.	H	α-helix	trans	-60.1	-42.9	171.1	175.5	60	0	0	0	111.9	C500 F507 S509 G511 C515 H516 M517	C500-L513 HydrophobicContact CB-CD1 3.7Å; F507-L513 HydrophobicContact CB-CB 4.14Å; F507-L513 HydrophobicContact CD2-CB 4.13Å; F507-L513 HydrophobicContact CD2-CD1 3.87Å; F507-L513 HydrophobicContact CE2-CD1 4.22Å; F507-L513 HydrophobicContact CG-CB 4.23Å; S509-L513 PolarHBondContact O-N 3.49Å; S509-L513 VanDerWaalsContact O-N 3.14Å; G511-L513 PolarHBondContact O-N 3.34Å; L513-C515 PolarHBondContact O-N 3.23Å; L513-H516 PolarHBondContact O-N 2.94Å; L513-M517 HydrophobicContact CD1-CG 3.9Å; L513-M517 HydrophobicContact CD1-SD 4.14Å; L513-M517 HydrophobicContact CG-CG 4.32Å; L513-M517 HydrophobicContact CG-SD 4.1Å; L513-M517 WeakPolarHBondContact O-CB 3.34Å; L513-M517 WeakPolarHBondContact O-CG 3.32Å; L513-M517 PolarHBondContact O-N 3.46Å
514	K	69.7	Low	65.6	Low	166 Å²	166	98.1 Å²	98.1	72%	0.722	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-36.7	179	-171.7	-179.8	-179.7	-174.8	0	112.4	R510 G511 F512 K518	R510-K514 WeakPolarHBondContact O-CB 3.38Å; R510-K514 PolarHBondContact O-N 3.25Å; G511-K514 PolarHBondContact O-N 2.88Å; G511-K514 VanDerWaalsContact O-N 3.13Å; F512-K514 VanDerWaalsContact C-N 3.35Å; F512-K514 PolarHBondContact O-N 2.82Å; K514-K518 PolarHBondContact O-N 3.37Å
515	C	69	Low	64.9	Low	79 Å²	79	102.9 Å²	102.9	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-68.2	-47.9	173.1	-160.4	0	0	0	0	110.9	G511 F512 L513 M517 K518	G511-C515 PolarHBondContact O-N 3.48Å; F512-C515 PolarHBondContact O-N 2.84Å; L513-C515 PolarHBondContact O-N 3.23Å; C515-M517 PolarHBondContact O-N 2.95Å; C515-K518 WeakPolarHBondContact O-CB 3.41Å; C515-K518 PolarHBondContact O-N 2.82Å
516	H	74.3	Confident	64	Low	38 Å²	38	104.8 Å²	104.8	18%	0.176	51%	0.511	C	S	.	.	H	α-helix	trans	-59.9	-40.9	177.1	177.8	63.8	0	0	0	113.4	C503 F507 F512 L513 K518 N519 H520	C503-H516 PolarHBondContact SG-NE2 3.21Å; F507-H516 HydrophobicContact CE1-CB 3.92Å; F507-H516 HydrophobicContact CE2-CB 4.04Å; F507-H516 AromaticContact CE2-CD2 3.29Å; F507-H516 WeakPolarHBondContact CE2-CD2 3.25Å; F507-H516 AromaticContact CE2-CG 3.7Å; F507-H516 AromaticContact CE2-NE2 3.96Å; F507-H516 HydrophobicContact CZ-CB 3.57Å; F507-H516 AromaticContact CZ-CD2 3.3Å; F507-H516 WeakPolarHBondContact CZ-CD2 3.45Å; F507-H516 AromaticContact CZ-CG 3.24Å; F507-H516 AromaticContact CZ-ND1 3.77Å; F507-H516 AromaticContact CZ-NE2 3.85Å; F512-H516 VanDerWaalsContact O-CB 3.32Å; F512-H516 WeakPolarHBondContact O-CB 3.39Å; F512-H516 PolarHBondContact O-N 2.83Å; L513-H516 PolarHBondContact O-N 2.94Å; H516-K518 PolarHBondContact O-N 2.88Å; H516-N519 PolarHBondContact O-N 2.93Å; H516-H520 AromaticContact CD2-NE2 3.59Å; H516-H520 AromaticContact CE1-NE2 3.43Å; H516-H520 PolarHBondContact CE1-NE2 2.83Å; H516-H520 AromaticContact NE2-CD2 3.87Å; H516-H520 AromaticContact NE2-CE1 3.92Å; H516-H520 AromaticContact NE2-NE2 2.95Å; H516-H520 PolarHBondContact NE2-NE2 3.42Å; H516-H520 PolarHBondContact O-CD2 3.15Å
517	M	70.5	Confident	62.9	Low	41 Å²	41	105.2 Å²	105.2	20%	0.202	51%	0.512	C	S	.	.	H	α-helix	trans	-59.8	-29.2	175.2	-80.4	-177.5	60.7	0	0	113	L513 C515 N519 H520 H523	L513-M517 HydrophobicContact CD1-CG 3.9Å; L513-M517 HydrophobicContact CD1-SD 4.14Å; L513-M517 HydrophobicContact CG-CG 4.32Å; L513-M517 HydrophobicContact CG-SD 4.1Å; L513-M517 WeakPolarHBondContact O-CB 3.34Å; L513-M517 WeakPolarHBondContact O-CG 3.32Å; L513-M517 PolarHBondContact O-N 3.46Å; C515-M517 PolarHBondContact O-N 2.95Å; M517-N519 PolarHBondContact O-N 3.38Å; M517-H520 PolarHBondContact O-N 2.87Å; M517-H523 WeakPolarHBondContact CE-NE2 3.44Å; M517-H523 PolarHBondContact O-CD2 3.24Å
518	K	70.5	Confident	62.1	Low	176 Å²	176	110.5 Å²	110.5	77%	0.765	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.2	176.5	-157.8	-175.4	176.2	-167	0	113	K514 C515 H516	K514-K518 PolarHBondContact O-N 3.37Å; C515-K518 WeakPolarHBondContact O-CB 3.41Å; C515-K518 PolarHBondContact O-N 2.82Å; H516-K518 PolarHBondContact O-N 2.88Å
519	N	56.8	Low	61.9	Low	127 Å²	127	104.3 Å²	104.3	68%	0.679	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	5.6	-179.4	-60.5	8.1	0	0	0	112.8	H516 M517	H516-N519 PolarHBondContact O-N 2.93Å; M517-N519 PolarHBondContact O-N 3.38Å
520	H	60.3	Low	61.7	Low	27 Å²	27	108.3 Å²	108.3	13%	0.125	53%	0.526	C	S	.	.			trans	-90.5	131.1	173.1	-79.1	-84.2	0	0	0	111.3	I502 C503 H516 M517 D522 H523	I502-H520 HydrophobicContact CD1-CB 3.75Å; I502-H520 WeakPolarHBondContact CG2-ND1 3.43Å; C503-H520 PolarHBondContact SG-CE1 3.13Å; H516-H520 AromaticContact CD2-NE2 3.59Å; H516-H520 AromaticContact CE1-NE2 3.43Å; H516-H520 PolarHBondContact CE1-NE2 2.83Å; H516-H520 AromaticContact NE2-CD2 3.87Å; H516-H520 AromaticContact NE2-CE1 3.92Å; H516-H520 AromaticContact NE2-NE2 2.95Å; H516-H520 PolarHBondContact NE2-NE2 3.42Å; H516-H520 PolarHBondContact O-CD2 3.15Å; M517-H520 PolarHBondContact O-N 2.87Å; H520-D522 VanDerWaalsContact C-N 3.26Å; H520-D522 PolarHBondContact O-N 3.16Å; H520-H523 PolarHBondContact O-N 3.41Å
521	P	51.5	Low	61.8	Low	96 Å²	96	101.4 Å²	101.4	62%	0.623	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-64	-28.3	-174.2	25.1	-34.1	0	0	0	113.5	H523 L524	P521-H523 PolarHBondContact O-N 3.01Å; P521-L524 WeakPolarHBondContact O-CB 3.3Å; P521-L524 PolarHBondContact O-N 3.44Å
522	D	45.5	Very low	61.7	Low	100 Å²	100	105.3 Å²	105.3	54%	0.535	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-60.2	-17.8	179.7	-70.5	-49.8	0	0	0	114.5	H520 L524 L525	H520-D522 VanDerWaalsContact C-N 3.26Å; H520-D522 PolarHBondContact O-N 3.16Å; D522-L524 PolarHBondContact O-N 3.01Å; D522-L525 PolarHBondContact O-N 3.29Å
523	H	49.8	Very low	61.2	Low	112 Å²	112	103.2 Å²	103.2	52%	0.519	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-69.1	-7.9	173.4	-91.3	-75.7	0	0	0	114.1	M517 H520 P521	M517-H523 WeakPolarHBondContact CE-NE2 3.44Å; M517-H523 PolarHBondContact O-CD2 3.24Å; H520-H523 PolarHBondContact O-N 3.41Å; P521-H523 PolarHBondContact O-N 3.01Å
524	L	48	Very low	61.2	Low	137 Å²	137	104.8 Å²	104.8	72%	0.717	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-86.6	-19.1	177	-63.2	172.9	0	0	0	114.1	P521 D522 K526	P521-L524 WeakPolarHBondContact O-CB 3.3Å; P521-L524 PolarHBondContact O-N 3.44Å; D522-L524 PolarHBondContact O-N 3.01Å; L524-K526 VanDerWaalsContact C-N 3.31Å; L524-K526 PolarHBondContact O-N 3Å
525	L	52.3	Low	60.9	Low	148 Å²	148	104 Å²	104	78%	0.775	53%	0.527	S	S	*	.	S	Bend	trans	-89.4	27	-171.4	-71.7	175.2	0	0	0	115.5	D522	D522-L525 PolarHBondContact O-N 3.29Å
526	K	55.5	Low	60.8	Low	174 Å²	174	104.1 Å²	104.1	76%	0.757	52%	0.519	S	S	*	.			trans	-132.2	66.6	160.9	-73.4	-165.5	176	-175.3	0	112	L524 K528	L524-K526 VanDerWaalsContact C-N 3.31Å; L524-K526 PolarHBondContact O-N 3Å; K526-K528 PolarHBondContact O-N 3.08Å
527	K	51.6	Low	60.8	Low	148 Å²	148	104.7 Å²	104.7	64%	0.643	53%	0.525	S	S	*	.			trans	-50.6	124.3	152.7	-61.3	-174.5	177.8	-164.1	0	107.5	T537	K527-T537 HydrophobicContact CD-CG2 4.35Å; K527-T537 PolarHBondContact NZ-OG1 2.8Å
528	K	58.2	Low	61.1	Low	152 Å²	152	103.5 Å²	103.5	66%	0.661	52%	0.52	S	S	*	.			trans	-111.6	-16.2	-176.2	-82.7	-166.8	174.5	-170.8	0	114.2	K526	K526-K528 PolarHBondContact O-N 3.08Å
529	Y	61	Low	60.8	Low	72 Å²	72	101.2 Å²	101.2	28%	0.282	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	122.9	-178.2	-54	-72.9	0	0	0	108.5	T537 T538 K541 F544	Y529-T537 WeakPolarHBondContact O-CA 3.29Å; Y529-T538 PolarHBondContact N-O 3.43Å; Y529-T538 PolarHBondContact O-N 3.29Å; Y529-K541 HydrophobicContact CE1-CG 4.37Å; Y529-K541 HydrophobicContact CE2-CB 3.98Å; Y529-F544 AromaticContact CD1-CD1 3.79Å; Y529-F544 HydrophobicContact CD1-CD1 3.79Å; Y529-F544 HydrophobicContact CD1-CE1 4.14Å; Y529-F544 HydrophobicContact CD1-CG 4.3Å; Y529-F544 HydrophobicContact CG-CB 4.18Å; Y529-F544 HydrophobicContact CG-CD1 4.05Å; Y529-F544 HydrophobicContact CG-CG 4.08Å
530	Q	64.4	Low	61.6	Low	124 Å²	124	102 Å²	102	58%	0.579	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.2	176.2	170.5	165.5	-2.9	0	0	105.9	T537 F544	Q530-T537 HydrophobicContact CB-CG2 3.83Å; Q530-T537 HydrophobicContact CG-CG2 3.76Å; Q530-F544 VanDerWaalsContact C-CE2 3.49Å; Q530-F544 WeakPolarHBondContact O-CE2 3.16Å; Q530-F544 WeakPolarHBondContact O-CZ 3.4Å
531	C	70.9	Confident	62.1	Low	6 Å²	6	107.9 Å²	107.9	4%	0.041	54%	0.539	C	S	.	.			trans	-73.3	144.8	174.2	-155.7	0	0	0	0	109.9	C534 F536 F544 H547	C531-C534 WeakPolarHBondContact CB-O 3.33Å; C531-F536 HydrophobicContact CB-CB 4.49Å; C531-F536 PolarHBondContact N-O 2.77Å; C531-F544 HydrophobicContact CB-CE2 4.32Å; C531-H547 WeakPolarHBondContact CB-NE2 3.44Å; C531-H547 PolarHBondContact SG-NE2 3.21Å
532	T	69.2	Low	63.1	Low	129 Å²	129	108.4 Å²	108.4	79%	0.791	54%	0.54	S	S	*	.	S	Bend	trans	-75.3	-22.5	169.6	40.4	0	0	0	0	111.4
533	D	61.3	Low	64.4	Low	97 Å²	97	106.1 Å²	106.1	52%	0.519	53%	0.532	S	S	.	.	S	Bend	trans	-108.4	-6.2	-163.1	-45.6	-14.3	0	0	0	112.1	H551	D533-H551 VanDerWaalsContact CB-CE1 3.45Å; D533-H551 WeakPolarHBondContact CB-CE1 3.18Å; D533-H551 IonicContact OD2-CG 3.8Å; D533-H551 IonicContact OD2-ND1 2.77Å
534	C	74.6	Confident	65.6	Low	52 Å²	52	102.6 Å²	102.6	35%	0.351	52%	0.515	S	S	.	.	S	Bend	trans	-166.1	171.9	168	73.1	0	0	0	0	111.9	C531 F536 H547 H551	C531-C534 WeakPolarHBondContact CB-O 3.33Å; C534-F536 PolarHBondContact O-N 3.05Å; C534-H547 PolarHBondContact SG-CE1 3.1Å; C534-H547 PolarHBondContact SG-NE2 2.96Å; C534-H547 VanDerWaalsContact SG-NE2 3.41Å; C534-H551 PolarHBondContact SG-NE2 2.74Å
535	D	62.8	Low	66.9	Low	150 Å²	150	101.1 Å²	101.1	80%	0.802	50%	0.504	S	S	*	.	S	Bend	trans	-69	8.9	-178.5	-64	-59.7	0	0	0	116.1	T537	D535-T537 PolarHBondContact O-N 3.37Å
536	F	68.4	Low	67.9	Low	81 Å²	81	98.8 Å²	98.8	36%	0.355	49%	0.492	S	S	.	.			trans	-67	118.1	-178.9	-171.1	-102.8	0	0	0	111.5	C531 C534 T538 H547	C531-F536 HydrophobicContact CB-CB 4.49Å; C531-F536 PolarHBondContact N-O 2.77Å; C534-F536 PolarHBondContact O-N 3.05Å; F536-T538 HydrophobicContact CD1-CG2 3.93Å; F536-T538 HydrophobicContact CE1-CG2 3.54Å; F536-T538 HydrophobicContact CZ-CG2 4.47Å; F536-H547 WeakPolarHBondContact CB-NE2 3.14Å; F536-H547 HydrophobicContact CD1-CB 3.89Å; F536-H547 AromaticContact CD1-CD2 3.35Å; F536-H547 WeakPolarHBondContact CD1-CD2 3.47Å; F536-H547 AromaticContact CD1-CG 3.37Å; F536-H547 AromaticContact CD1-ND1 3.86Å; F536-H547 AromaticContact CD1-NE2 3.8Å; F536-H547 HydrophobicContact CE1-CB 3.75Å; F536-H547 AromaticContact CE1-CG 3.76Å; F536-H547 AromaticContact CG-CD2 3.94Å; F536-H547 AromaticContact CG-CE1 3.95Å; F536-H547 AromaticContact CG-CG 3.97Å; F536-H547 AromaticContact CG-ND1 3.98Å; F536-H547 AromaticContact CG-NE2 3.91Å
537	T	73.5	Confident	69	Low	50 Å²	50	91.6 Å²	91.6	31%	0.307	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.4	178.3	56.8	0	0	0	0	111.5	K527 Y529 Q530 D535	K527-T537 HydrophobicContact CD-CG2 4.35Å; K527-T537 PolarHBondContact NZ-OG1 2.8Å; Y529-T537 WeakPolarHBondContact O-CA 3.29Å; Q530-T537 HydrophobicContact CB-CG2 3.83Å; Q530-T537 HydrophobicContact CG-CG2 3.76Å; D535-T537 PolarHBondContact O-N 3.37Å
538	T	76.2	Confident	70	Confident	15 Å²	15	87.5 Å²	87.5	9%	0.092	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.8	-171.3	156.9	0	0	0	0	112.4	Y529 F536 K540 F544	Y529-T538 PolarHBondContact N-O 3.43Å; Y529-T538 PolarHBondContact O-N 3.29Å; F536-T538 HydrophobicContact CD1-CG2 3.93Å; F536-T538 HydrophobicContact CE1-CG2 3.54Å; F536-T538 HydrophobicContact CZ-CG2 4.47Å; T538-K540 PolarHBondContact OG1-N 3.47Å; T538-K540 PolarHBondContact OG1-O 3Å; T538-K540 VanDerWaalsContact OG1-O 3.1Å; T538-F544 HydrophobicContact CG2-CB 3.73Å; T538-F544 HydrophobicContact CG2-CD2 3.86Å; T538-F544 HydrophobicContact CG2-CG 4.24Å
539	N	64.3	Low	70.8	Confident	129 Å²	129	84.4 Å²	84.4	69%	0.69	43%	0.434	S	S	*	.	S	Bend	trans	-99.7	1.3	174.6	60.8	9.3	0	0	0	113.4
540	K	74.5	Confident	71.2	Confident	142 Å²	142	83.2 Å²	83.2	62%	0.617	44%	0.437	S	S	*	.			trans	-120.7	120.1	-179.2	-69.2	175.1	-176.7	178.6	0	110.8	T538 V542 S543 F544	T538-K540 PolarHBondContact OG1-N 3.47Å; T538-K540 PolarHBondContact OG1-O 3Å; T538-K540 VanDerWaalsContact OG1-O 3.1Å; K540-V542 VanDerWaalsContact C-N 3.3Å; K540-V542 PolarHBondContact O-N 3.46Å; K540-S543 PolarHBondContact O-N 2.95Å; K540-S543 VanDerWaalsContact O-N 3.12Å; K540-F544 PolarHBondContact O-N 3.13Å; K540-F544 VanDerWaalsContact O-N 3.08Å
541	K	69.7	Low	71.6	Confident	152 Å²	152	79.4 Å²	79.4	66%	0.661	42%	0.419	S	S	*	.	H	α-helix	trans	-56.7	-39.2	179.1	-169.3	-176.4	177.8	-171.1	0	112.9	Y529 F544 H545	Y529-K541 HydrophobicContact CE1-CG 4.37Å; Y529-K541 HydrophobicContact CE2-CB 3.98Å; K541-F544 WeakPolarHBondContact O-CB 3.49Å; K541-F544 PolarHBondContact O-N 3.06Å; K541-H545 PolarHBondContact O-N 2.84Å
542	V	74	Confident	71.2	Confident	106 Å²	106	86 Å²	86	64%	0.642	45%	0.447	S	S	*	.	H	α-helix	trans	-62.6	-48.5	176	-177.5	0	0	0	0	111	K540 F544 H545 N546	K540-V542 VanDerWaalsContact C-N 3.3Å; K540-V542 PolarHBondContact O-N 3.46Å; V542-F544 PolarHBondContact O-N 3Å; V542-F544 VanDerWaalsContact O-N 3.11Å; V542-H545 PolarHBondContact O-N 3.26Å; V542-N546 PolarHBondContact O-N 2.81Å; V542-N546 PolarHBondContact O-OD1 3.43Å
543	S	72.3	Confident	70.7	Confident	52 Å²	52	85.7 Å²	85.7	36%	0.364	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-16.5	176.7	-170.2	0	0	0	0	113.7	K540 H547	K540-S543 PolarHBondContact O-N 2.95Å; K540-S543 VanDerWaalsContact O-N 3.12Å; S543-H547 WeakPolarHBondContact O-CB 3.23Å
544	F	75	Confident	70.5	Confident	39 Å²	39	86.6 Å²	86.6	17%	0.171	44%	0.444	C	S	.	.	H	α-helix	trans	-84.4	-40.4	170.9	-174.5	-120.8	0	0	0	111.8	Y529 Q530 C531 T538 K540 K541 V542 H547 L548	Y529-F544 AromaticContact CD1-CD1 3.79Å; Y529-F544 HydrophobicContact CD1-CD1 3.79Å; Y529-F544 HydrophobicContact CD1-CE1 4.14Å; Y529-F544 HydrophobicContact CD1-CG 4.3Å; Y529-F544 HydrophobicContact CG-CB 4.18Å; Y529-F544 HydrophobicContact CG-CD1 4.05Å; Y529-F544 HydrophobicContact CG-CG 4.08Å; Q530-F544 VanDerWaalsContact C-CE2 3.49Å; Q530-F544 WeakPolarHBondContact O-CE2 3.16Å; Q530-F544 WeakPolarHBondContact O-CZ 3.4Å; C531-F544 HydrophobicContact CB-CE2 4.32Å; T538-F544 HydrophobicContact CG2-CB 3.73Å; T538-F544 HydrophobicContact CG2-CD2 3.86Å; T538-F544 HydrophobicContact CG2-CG 4.24Å; K540-F544 PolarHBondContact O-N 3.13Å; K540-F544 VanDerWaalsContact O-N 3.08Å; K541-F544 WeakPolarHBondContact O-CB 3.49Å; K541-F544 PolarHBondContact O-N 3.06Å; V542-F544 PolarHBondContact O-N 3Å; V542-F544 VanDerWaalsContact O-N 3.11Å; F544-H547 WeakPolarHBondContact O-CB 3.24Å; F544-H547 PolarHBondContact O-N 2.84Å; F544-L548 HydrophobicContact CD1-CD1 4.26Å; F544-L548 HydrophobicContact CD2-CD1 3.89Å; F544-L548 HydrophobicContact CE1-CD1 3.86Å; F544-L548 HydrophobicContact CE2-CD1 3.42Å; F544-L548 VanDerWaalsContact CE2-CD1 3.42Å; F544-L548 HydrophobicContact CG-CD1 4.28Å; F544-L548 HydrophobicContact CZ-CD1 3.42Å; F544-L548 VanDerWaalsContact CZ-CD1 3.42Å; F544-L548 PolarHBondContact O-N 3.06Å
545	H	74.6	Confident	69.2	Low	105 Å²	105	87.7 Å²	87.7	49%	0.486	45%	0.452	S	S	.	.	H	α-helix	trans	-59.3	-57	175.1	-164	-80.2	0	0	0	111.1	K541 V542 H547 L548 E549	K541-H545 PolarHBondContact O-N 2.84Å; V542-H545 PolarHBondContact O-N 3.26Å; H545-H547 PolarHBondContact O-N 3.26Å; H545-L548 PolarHBondContact O-N 3.24Å; H545-E549 IonicContact CE1-OE1 3.59Å; H545-E549 PolarHBondContact CE1-OE1 2.82Å; H545-E549 IonicContact CE1-OE2 3.93Å; H545-E549 PolarHBondContact CE1-OE2 3.06Å; H545-E549 IonicContact ND1-OE1 2.68Å; H545-E549 IonicContact ND1-OE2 3.99Å; H545-E549 PolarHBondContact ND1-OE2 2.82Å; H545-E549 VanDerWaalsContact O-CB 3.31Å; H545-E549 WeakPolarHBondContact O-CB 3.47Å; H545-E549 PolarHBondContact O-N 3.38Å
546	N	73.6	Confident	68.6	Low	99 Å²	99	87.2 Å²	87.2	53%	0.529	45%	0.445	S	S	.	.	H	α-helix	trans	-55.3	-24.8	177.9	-63.5	42.1	0	0	0	112.8	V542 S550	V542-N546 PolarHBondContact O-N 2.81Å; V542-N546 PolarHBondContact O-OD1 3.43Å; N546-S550 PolarHBondContact O-N 2.95Å
547	H	79.1	Confident	67.3	Low	24 Å²	24	89.9 Å²	89.9	11%	0.111	46%	0.463	C	S	.	.	H	α-helix	trans	-81.9	-46.5	176.8	170.6	62.2	0	0	0	112.5	C531 C534 F536 S543 F544 H545 E549 S550 H551	C531-H547 WeakPolarHBondContact CB-NE2 3.44Å; C531-H547 PolarHBondContact SG-NE2 3.21Å; C534-H547 PolarHBondContact SG-CE1 3.1Å; C534-H547 PolarHBondContact SG-NE2 2.96Å; C534-H547 VanDerWaalsContact SG-NE2 3.41Å; F536-H547 WeakPolarHBondContact CB-NE2 3.14Å; F536-H547 HydrophobicContact CD1-CB 3.89Å; F536-H547 AromaticContact CD1-CD2 3.35Å; F536-H547 WeakPolarHBondContact CD1-CD2 3.47Å; F536-H547 AromaticContact CD1-CG 3.37Å; F536-H547 AromaticContact CD1-ND1 3.86Å; F536-H547 AromaticContact CD1-NE2 3.8Å; F536-H547 HydrophobicContact CE1-CB 3.75Å; F536-H547 AromaticContact CE1-CG 3.76Å; F536-H547 AromaticContact CG-CD2 3.94Å; F536-H547 AromaticContact CG-CE1 3.95Å; F536-H547 AromaticContact CG-CG 3.97Å; F536-H547 AromaticContact CG-ND1 3.98Å; F536-H547 AromaticContact CG-NE2 3.91Å; S543-H547 WeakPolarHBondContact O-CB 3.23Å; F544-H547 WeakPolarHBondContact O-CB 3.24Å; F544-H547 PolarHBondContact O-N 2.84Å; H545-H547 PolarHBondContact O-N 3.26Å; H547-E549 PolarHBondContact O-N 3.08Å; H547-S550 WeakPolarHBondContact O-CB 3.24Å; H547-S550 PolarHBondContact O-N 3.28Å; H547-S550 PolarHBondContact O-OG 2.84Å; H547-H551 AromaticContact CE1-CD2 3.42Å; H547-H551 PolarHBondContact CE1-CD2 3.04Å; H547-H551 VanDerWaalsContact CE1-CD2 3.42Å; H547-H551 AromaticContact CE1-NE2 3.16Å; H547-H551 PolarHBondContact CE1-NE2 3.49Å; H547-H551 AromaticContact NE2-CD2 3.57Å; H547-H551 AromaticContact NE2-NE2 3.36Å; H547-H551 PolarHBondContact NE2-NE2 3.2Å; H547-H551 PolarHBondContact O-CD2 2.98Å; H547-H551 PolarHBondContact O-N 3.38Å
548	L	72.9	Confident	65.6	Low	62 Å²	62	93 Å²	93	33%	0.325	48%	0.482	S	S	.	.	H	α-helix	trans	-59.6	-33.6	169.7	-96	73.8	0	0	0	111.8	F544 H545 S550 H551 K552	F544-L548 HydrophobicContact CD1-CD1 4.26Å; F544-L548 HydrophobicContact CD2-CD1 3.89Å; F544-L548 HydrophobicContact CE1-CD1 3.86Å; F544-L548 HydrophobicContact CE2-CD1 3.42Å; F544-L548 VanDerWaalsContact CE2-CD1 3.42Å; F544-L548 HydrophobicContact CG-CD1 4.28Å; F544-L548 HydrophobicContact CZ-CD1 3.42Å; F544-L548 VanDerWaalsContact CZ-CD1 3.42Å; F544-L548 PolarHBondContact O-N 3.06Å; H545-L548 PolarHBondContact O-N 3.24Å; L548-S550 VanDerWaalsContact C-N 3.31Å; L548-S550 PolarHBondContact O-N 3.19Å; L548-H551 WeakPolarHBondContact O-CB 3.27Å; L548-H551 PolarHBondContact O-N 3.36Å; L548-H551 VanDerWaalsContact O-N 3.14Å; L548-K552 PolarHBondContact O-N 3.21Å
549	E	75	Confident	63.7	Low	87 Å²	87	100.6 Å²	100.6	41%	0.407	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-36.4	175.1	-152.2	135.9	-131.3	0	0	111.5	H545 H547 K552 L553	H545-E549 IonicContact CE1-OE1 3.59Å; H545-E549 PolarHBondContact CE1-OE1 2.82Å; H545-E549 IonicContact CE1-OE2 3.93Å; H545-E549 PolarHBondContact CE1-OE2 3.06Å; H545-E549 IonicContact ND1-OE1 2.68Å; H545-E549 IonicContact ND1-OE2 3.99Å; H545-E549 PolarHBondContact ND1-OE2 2.82Å; H545-E549 VanDerWaalsContact O-CB 3.31Å; H545-E549 WeakPolarHBondContact O-CB 3.47Å; H545-E549 PolarHBondContact O-N 3.38Å; H547-E549 PolarHBondContact O-N 3.08Å; E549-K552 PolarHBondContact O-N 2.92Å; E549-L553 WeakPolarHBondContact O-CG 3.35Å; E549-L553 PolarHBondContact O-N 3.18Å; E549-L553 VanDerWaalsContact O-N 3.07Å
550	S	68.1	Low	62.4	Low	47 Å²	47	104.2 Å²	104.2	33%	0.329	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-37.2	170.3	75.4	0	0	0	0	113	N546 H547 L548 L553 L554	N546-S550 PolarHBondContact O-N 2.95Å; H547-S550 WeakPolarHBondContact O-CB 3.24Å; H547-S550 PolarHBondContact O-N 3.28Å; H547-S550 PolarHBondContact O-OG 2.84Å; L548-S550 VanDerWaalsContact C-N 3.31Å; L548-S550 PolarHBondContact O-N 3.19Å; S550-L553 PolarHBondContact O-N 2.82Å; S550-L554 WeakPolarHBondContact O-CG 3.17Å; S550-L554 PolarHBondContact O-N 2.79Å
551	H	72.9	Confident	60.1	Low	43 Å²	43	102.7 Å²	102.7	20%	0.199	53%	0.528	C	S	.	.	H	α-helix	trans	-64.6	-39.3	172.7	-81	-90.1	0	0	0	112.1	D533 C534 H547 L548 L554 S555	D533-H551 VanDerWaalsContact CB-CE1 3.45Å; D533-H551 WeakPolarHBondContact CB-CE1 3.18Å; D533-H551 IonicContact OD2-CG 3.8Å; D533-H551 IonicContact OD2-ND1 2.77Å; C534-H551 PolarHBondContact SG-NE2 2.74Å; H547-H551 AromaticContact CE1-CD2 3.42Å; H547-H551 PolarHBondContact CE1-CD2 3.04Å; H547-H551 VanDerWaalsContact CE1-CD2 3.42Å; H547-H551 AromaticContact CE1-NE2 3.16Å; H547-H551 PolarHBondContact CE1-NE2 3.49Å; H547-H551 AromaticContact NE2-CD2 3.57Å; H547-H551 AromaticContact NE2-NE2 3.36Å; H547-H551 PolarHBondContact NE2-NE2 3.2Å; H547-H551 PolarHBondContact O-CD2 2.98Å; H547-H551 PolarHBondContact O-N 3.38Å; L548-H551 WeakPolarHBondContact O-CB 3.27Å; L548-H551 PolarHBondContact O-N 3.36Å; L548-H551 VanDerWaalsContact O-N 3.14Å; H551-L554 PolarHBondContact O-N 3.38Å; H551-S555 WeakPolarHBondContact O-CB 3.4Å; H551-S555 PolarHBondContact O-N 3.3Å
552	K	63.5	Low	58.9	Low	145 Å²	145	101.5 Å²	101.5	63%	0.63	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-44.5	173.9	-70.9	-178.2	177.2	-176.2	0	112.5	L548 E549 L554 S555 H556	L548-K552 PolarHBondContact O-N 3.21Å; E549-K552 PolarHBondContact O-N 2.92Å; K552-L554 VanDerWaalsContact C-N 3.3Å; K552-L554 PolarHBondContact O-N 3.08Å; K552-S555 PolarHBondContact O-N 3.41Å; K552-H556 PolarHBondContact O-N 2.96Å; K552-H556 VanDerWaalsContact O-N 3.15Å
553	L	58.4	Low	57.1	Low	123 Å²	123	105.2 Å²	105.2	64%	0.644	55%	0.546	S	S	*	.	H	α-helix	trans	-66.8	-30.3	177.7	-68.3	171.5	0	0	0	112.6	E549 S550 N557	E549-L553 WeakPolarHBondContact O-CG 3.35Å; E549-L553 PolarHBondContact O-N 3.18Å; E549-L553 VanDerWaalsContact O-N 3.07Å; S550-L553 PolarHBondContact O-N 2.82Å; L553-N557 PolarHBondContact O-ND2 3.34Å
554	L	56.4	Low	55	Low	115 Å²	115	112.8 Å²	112.8	60%	0.602	57%	0.568	S	S	*	*	H	α-helix	trans	-73	-49.1	172.8	-74.5	162.9	0	0	0	111.8	S550 H551 K552 H556 N557 T558	S550-L554 WeakPolarHBondContact O-CG 3.17Å; S550-L554 PolarHBondContact O-N 2.79Å; H551-L554 PolarHBondContact O-N 3.38Å; K552-L554 VanDerWaalsContact C-N 3.3Å; K552-L554 PolarHBondContact O-N 3.08Å; L554-H556 VanDerWaalsContact C-N 3.33Å; L554-H556 PolarHBondContact O-N 3.31Å; L554-N557 PolarHBondContact O-N 3.44Å; L554-N557 VanDerWaalsContact O-N 3.07Å; L554-T558 PolarHBondContact O-OG1 3.07Å
555	S	47.6	Very low	53.1	Low	76 Å²	76	115 Å²	115	53%	0.531	59%	0.585	S	S	.	*	H	α-helix	trans	-56.6	-43.1	-179.7	167.9	0	0	0	0	112.7	H551 K552 N557 T558	H551-S555 WeakPolarHBondContact O-CB 3.4Å; H551-S555 PolarHBondContact O-N 3.3Å; K552-S555 PolarHBondContact O-N 3.41Å; S555-N557 PolarHBondContact O-N 3.42Å; S555-N557 VanDerWaalsContact O-N 3.08Å; S555-T558 PolarHBondContact O-N 3.35Å
556	H	50.7	Low	51.1	Low	140 Å²	140	115.9 Å²	115.9	65%	0.648	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-6.2	-179.4	-153	-44.4	0	0	0	114	K552 L554	K552-H556 PolarHBondContact O-N 2.96Å; K552-H556 VanDerWaalsContact O-N 3.15Å; L554-H556 VanDerWaalsContact C-N 3.33Å; L554-H556 PolarHBondContact O-N 3.31Å
557	N	40.7	Very low	49.1	Very low	136 Å²	136	120.3 Å²	120.3	73%	0.727	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-7.9	172.8	-79.8	-82.5	0	0	0	113.8	L553 L554 S555	L553-N557 PolarHBondContact O-ND2 3.34Å; L554-N557 PolarHBondContact O-N 3.44Å; L554-N557 VanDerWaalsContact O-N 3.07Å; S555-N557 PolarHBondContact O-N 3.42Å; S555-N557 VanDerWaalsContact O-N 3.08Å
558	T	38.5	Very low	47.1	Very low	116 Å²	116	125.3 Å²	125.3	71%	0.712	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-28.4	-176	-42.5	0	0	0	0	113.1	L554 S555	L554-T558 PolarHBondContact O-OG1 3.07Å; S555-T558 PolarHBondContact O-N 3.35Å
559	E	37.1	Very low	45.5	Very low	174 Å²	174	132.2 Å²	132.2	81%	0.813	65%	0.653	S	S	*	*	S	Bend	trans	-107.3	61.3	-175.2	-65	-173.9	167.8	0	0	112.5
560	R	35.6	Very low	43.8	Very low	205 Å²	205	137.4 Å²	137.4	77%	0.774	67%	0.67	S	S	*	*			trans	-147.5	57.4	173.5	-145	168.7	-169.5	158.7	3.7	115.4	P562	R560-P562 WeakPolarHBondContact O-CD 3.38Å
561	S	27.2	Very low	42.1	Very low	111 Å²	111	144.7 Å²	144.7	78%	0.776	69%	0.691	S	S	*	*			trans	-96.8	104	163.5	51.5	0	0	0	0	110.6	E563	S561-E563 PolarHBondContact O-N 3.3Å; S561-E563 VanDerWaalsContact O-N 3.13Å
562	P	43.4	Very low	40.2	Very low	127 Å²	127	151.7 Å²	151.7	83%	0.825	72%	0.723	S	S	*	*			trans	-88.1	72.1	-175.7	36	-35.8	0	0	0	112.6	R560	R560-P562 WeakPolarHBondContact O-CD 3.38Å
563	E	37.7	Very low	39	Very low	183 Å²	183	154 Å²	154	86%	0.855	74%	0.737	S	S	*	*			trans	-119	86.1	163.1	-77.2	-165.9	142.2	0	0	110.3	S561	S561-E563 PolarHBondContact O-N 3.3Å; S561-E563 VanDerWaalsContact O-N 3.13Å
564	Y	27.7	Very low	37.6	Very low	212 Å²	212	153 Å²	153	83%	0.831	74%	0.74	S	S	*	*			trans	-158	116.7	143.3	-136.9	-114.6	0	0	0	114.8
565	T	34.1	Very low	36.4	Very low	85 Å²	85	153.1 Å²	153.1	52%	0.521	75%	0.75	S	S	.	*			trans	29.4	152.3	147.5	73.9	0	0	0	0	123.5	Y567	T565-Y567 PolarHBondContact O-N 3.19Å; T565-Y567 VanDerWaalsContact O-N 3.11Å
566	E	33.3	Very low	36.4	Very low	123 Å²	123	154.8 Å²	154.8	58%	0.575	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-68.2	-5.5	-176.9	-153.7	-177.4	119.7	0	0	115.8	T568 R570	E566-T568 PolarHBondContact O-N 3.23Å; E566-R570 IonicContact OE1-NH2 3.98Å
567	Y	32	Very low	35.7	Very low	193 Å²	193	156.6 Å²	156.6	76%	0.757	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-66.3	-36	-160.3	-163.6	-108.9	0	0	0	114.5	T565 R569	T565-Y567 PolarHBondContact O-N 3.19Å; T565-Y567 VanDerWaalsContact O-N 3.11Å; Y567-R569 VanDerWaalsContact C-N 3.26Å; Y567-R569 PolarHBondContact O-N 3.38Å
568	T	36	Very low	35.2	Very low	128 Å²	128	154 Å²	154	79%	0.785	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-73.6	-9.7	-171.2	-36.7	0	0	0	0	114.2	E566 R570	E566-T568 PolarHBondContact O-N 3.23Å; T568-R570 PolarHBondContact O-N 2.78Å
569	R	40.3	Very low	35.2	Very low	207 Å²	207	154.1 Å²	154.1	78%	0.781	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-78.5	-8.2	-175.6	-99.9	-169.4	-67.2	164.8	-0.7	115.8	Y567	Y567-R569 VanDerWaalsContact C-N 3.26Å; Y567-R569 PolarHBondContact O-N 3.38Å
570	R	38	Very low	35	Very low	197 Å²	197	153.2 Å²	153.2	74%	0.743	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-105.3	18.1	-169.8	-59.9	-166.3	-172.5	-166.1	4.5	116.2	E566 T568	E566-R570 IonicContact OE1-NH2 3.98Å; T568-R570 PolarHBondContact O-N 2.78Å
571	Y	33	Very low	35.1	Very low	200 Å²	200	152.1 Å²	152.1	78%	0.784	79%	0.785	S	S	*	*	S	Bend	trans	-129	31.9	-175.6	-97.6	-75.1	0	0	0	115.4
572	H	33.3	Very low	35.6	Very low	189 Å²	189	155 Å²	155	88%	0.875	79%	0.791	S	S	*	*	S	Bend	trans	-129.8	4.2	172	-111.6	-69.4	0	0	0	116.2
573	E	37.4	Very low	35.4	Very low	194 Å²	194	155 Å²	155	91%	0.907	78%	0.783	S	S	*	*			trans	-106.1	86.1	171.9	-68.5	-169.9	129.3	0	0	111
574	S	29.8	Very low	35.6	Very low	102 Å²	102	152.2 Å²	152.2	71%	0.713	78%	0.778	S	S	*	*	S	Bend	trans	-163	49.6	163.5	24.2	0	0	0	0	115
575	S	30.7	Very low	36.1	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	77%	0.772	S	S	*	*			trans	69	177	151.3	-50.5	0	0	0	0	117
576	P	48	Very low	36.5	Very low	112 Å²	112	152.9 Å²	152.9	73%	0.727	79%	0.785	S	S	*	*				-130.8	174.1	-68.7	39.2	-25.7	0	0	0	114
577	L	36.8	Very low	37.1	Very low	177 Å²	177	158 Å²	158	93%	0.927	80%	0.799	S	S	*	*			trans	76.6	125.5	174.8	-48.6	176.9	0	0	0	115.6
578	G	28.7	Very low	37.7	Very low	81 Å²	81	156.9 Å²	156.9	84%	0.835	80%	0.801	S	S	*	*			trans	138.3	88.2	-179.9	0	0	0	0	0	111.4
579	S	38.6	Very low	38.7	Very low	119 Å²	119	155.4 Å²	155.4	83%	0.832	79%	0.793	S	S	*	*			trans	-84.1	114.9	179.8	52.4	0	0	0	0	111.6
580	D	34.2	Very low	39.7	Very low	156 Å²	156	154.1 Å²	154.1	83%	0.834	79%	0.793	S	S	*	*				-157	148.5	111.2	-137.6	-29.5	0	0	0	112.4
581	K	37.8	Very low	41.3	Very low	182 Å²	182	149.1 Å²	149.1	79%	0.791	78%	0.781	S	S	*	*			trans	-97.9	98.6	176.2	-76.6	-172.1	178.4	-178.1	0	109.6	I583	K581-I583 HydrophobicContact CB-CG1 4.33Å; K581-I583 PolarHBondContact O-N 3Å
582	L	37.7	Very low	43.1	Very low	171 Å²	171	142.3 Å²	142.3	90%	0.895	76%	0.756	S	S	*	*			trans	-66.2	85.2	161.4	-80.1	174.2	0	0	0	109.6	V584	L582-V584 PolarHBondContact O-N 2.89Å
583	I	37.5	Very low	44.9	Very low	126 Å²	126	139.3 Å²	139.3	65%	0.646	74%	0.742	S	S	*	*			trans	-67.7	99.7	170.9	-51.4	175.8	0	0	0	107.2	K581 K585	K581-I583 HydrophobicContact CB-CG1 4.33Å; K581-I583 PolarHBondContact O-N 3Å; I583-K585 HydrophobicContact CG2-CG 3.72Å; I583-K585 PolarHBondContact O-N 3.33Å
584	V	42.8	Very low	46.5	Very low	125 Å²	125	130.5 Å²	130.5	76%	0.758	70%	0.702	S	S	*	*			trans	-66.4	84.2	159.9	-178	0	0	0	0	106.8	L582 D586	L582-V584 PolarHBondContact O-N 2.89Å; V584-D586 PolarHBondContact O-N 3.4Å
585	K	37.3	Very low	48.3	Very low	160 Å²	160	134 Å²	134	70%	0.696	71%	0.705	S	S	*	*			trans	-67.7	110.3	162.3	-74.4	-170.5	174.5	-178	0	106.1	I583 R587	I583-K585 HydrophobicContact CG2-CG 3.72Å; I583-K585 PolarHBondContact O-N 3.33Å; K585-R587 VanDerWaalsContact C-N 3.27Å; K585-R587 PolarHBondContact O-N 3.42Å
586	D	42.8	Very low	49.9	Very low	151 Å²	151	136 Å²	136	81%	0.807	70%	0.695	S	S	*	*			trans	-54	99.3	158.5	-82.2	-60.5	0	0	0	107.7	V584 E588	V584-D586 PolarHBondContact O-N 3.4Å; D586-E588 PolarHBondContact O-N 3.08Å; D586-E588 VanDerWaalsContact O-N 3.08Å
587	R	46	Very low	50.9	Low	232 Å²	232	132.8 Å²	132.8	88%	0.875	68%	0.675	S	S	*	*			trans	-76.3	97	173.2	-81	-171.6	172.3	-168.2	-0.1	106.6	K585	K585-R587 VanDerWaalsContact C-N 3.27Å; K585-R587 PolarHBondContact O-N 3.42Å
588	E	45.1	Very low	52.4	Low	169 Å²	169	131.4 Å²	131.4	79%	0.79	67%	0.669	S	S	*	*			trans	-44.1	129	162.4	-61.9	-177.7	122.2	0	0	109	D586 K590	D586-E588 PolarHBondContact O-N 3.08Å; D586-E588 VanDerWaalsContact O-N 3.08Å; E588-K590 PolarHBondContact O-N 3.21Å
589	P	58	Low	54.2	Low	96 Å²	96	131.5 Å²	131.5	62%	0.623	64%	0.644	S	S	*	*			trans	-67.3	102	-179.5	26.9	-33	0	0	0	108.2	L591	P589-L591 PolarHBondContact O-N 2.81Å
590	K	61	Low	56	Low	180 Å²	180	131.6 Å²	131.6	78%	0.783	63%	0.632	S	S	*	*			trans	-48.9	106.7	-176.1	-73.1	-169.2	173.4	-169.1	0	110.6	E588 H592	E588-K590 PolarHBondContact O-N 3.21Å; K590-H592 PolarHBondContact O-CD2 3.24Å; K590-H592 VanDerWaalsContact O-CD2 3.26Å; K590-H592 PolarHBondContact O-N 2.73Å
591	L	70	Confident	58.1	Low	92 Å²	92	124.9 Å²	124.9	48%	0.482	60%	0.596	S	S	.	*			trans	-70.7	122.3	179.2	-63	-179	0	0	0	109.2	P589 H593 E600 A602	P589-L591 PolarHBondContact O-N 2.81Å; L591-H593 PolarHBondContact O-N 3.16Å; L591-E600 HydrophobicContact CB-CB 4.4Å; L591-A602 HydrophobicContact CD2-CB 4.03Å
592	H	72.3	Confident	60	Low	58 Å²	58	119 Å²	119	27%	0.269	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	102.2	176.7	-63.9	-90.7	0	0	0	108.3	K590 T601 Q604 L607	K590-H592 PolarHBondContact O-CD2 3.24Å; K590-H592 VanDerWaalsContact O-CD2 3.26Å; K590-H592 PolarHBondContact O-N 2.73Å; H592-T601 WeakPolarHBondContact CB-O 3.39Å; H592-T601 PolarHBondContact N-O 3.29Å; H592-T601 PolarHBondContact O-N 3.26Å; H592-Q604 PolarHBondContact CD2-N 3.04Å; H592-Q604 VanDerWaalsContact CD2-N 3.32Å; H592-Q604 PolarHBondContact CE1-OE1 2.77Å; H592-Q604 PolarHBondContact ND1-OE1 3.31Å; H592-L607 HydrophobicContact CB-CB 3.96Å; H592-L607 HydrophobicContact CB-CD2 3.71Å; H592-L607 HydrophobicContact CB-CG 4.43Å
593	H	70.6	Confident	61.7	Low	125 Å²	125	116.4 Å²	116.4	58%	0.579	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.3	148.4	-179.5	61.1	-96.4	0	0	0	112.3	L591 Y599 E600 L607	L591-H593 PolarHBondContact O-N 3.16Å; H593-Y599 CarbonylContact C-O 3.54Å; H593-E600 HydrophobicContact CB-CG 4.05Å; H593-L607 WeakPolarHBondContact O-CD2 3.42Å
594	C	70.9	Confident	63.2	Low	9 Å²	9	114.4 Å²	114.4	6%	0.061	55%	0.553	C	S	.	*			trans	-82.5	124	172.3	-177.8	0	0	0	0	111.3	Y596 C597 Y599 L607 H610 L611 H615	C594-Y596 PolarHBondContact O-N 3.1Å; C594-Y596 PolarHBondContact SG-N 3.34Å; C594-Y596 VanDerWaalsContact SG-N 3.44Å; C594-C597 WeakPolarHBondContact CB-O 3.4Å; C594-Y599 WeakPolarHBondContact CB-O 3.34Å; C594-Y599 PolarHBondContact N-O 2.76Å; C594-L607 HydrophobicContact CB-CD1 3.77Å; C594-H610 VanDerWaalsContact SG-CD2 3.54Å; C594-H610 PolarHBondContact SG-NE2 3Å; C594-L611 VanDerWaalsContact SG-CD2 3.5Å; C594-H615 PolarHBondContact SG-CD2 3.27Å; C594-H615 PolarHBondContact SG-NE2 2.89Å; C594-H615 VanDerWaalsContact SG-NE2 3.38Å
595	K	67.4	Low	64.6	Low	177 Å²	177	110.8 Å²	110.8	77%	0.77	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-8	175.7	-170.7	168.7	-179.8	178	0	114.1
596	Y	63.7	Low	66.3	Low	157 Å²	157	105.2 Å²	105.2	62%	0.616	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-3.7	-170.8	-53.6	-70.6	0	0	0	114.9	C594 L611 H615	C594-Y596 PolarHBondContact O-N 3.1Å; C594-Y596 PolarHBondContact SG-N 3.34Å; C594-Y596 VanDerWaalsContact SG-N 3.44Å; Y596-L611 HydrophobicContact CD2-CD2 3.73Å; Y596-L611 HydrophobicContact CE2-CD2 4.06Å; Y596-H615 VanDerWaalsContact CB-CE1 3.47Å; Y596-H615 WeakPolarHBondContact CB-CE1 3.44Å; Y596-H615 WeakPolarHBondContact CB-ND1 3.46Å; Y596-H615 HydrophobicContact CD2-CB 3.86Å; Y596-H615 AromaticContact CD2-CG 3.99Å; Y596-H615 HydrophobicContact CG-CB 4.25Å; Y596-H615 PolarHBondContact O-CE1 3.08Å; Y596-H615 VanDerWaalsContact O-CE1 3.31Å
597	C	70.2	Confident	67.7	Low	46 Å²	46	98.4 Å²	98.4	31%	0.311	48%	0.482	S	S	.	.	S	Bend	trans	-166.6	171.5	166.9	73.8	0	0	0	0	112.2	C594 Y599 H610 H615	C594-C597 WeakPolarHBondContact CB-O 3.4Å; C597-Y599 PolarHBondContact O-N 2.89Å; C597-H610 VanDerWaalsContact SG-CE1 3.51Å; C597-H610 PolarHBondContact SG-NE2 3.3Å; C597-H615 PolarHBondContact SG-NE2 3.28Å
598	D	68.8	Low	68.7	Low	148 Å²	148	91.3 Å²	91.3	79%	0.791	46%	0.461	S	S	*	.	S	Bend	trans	-64.9	33.4	179.6	-16.2	-43.7	0	0	0	115.1	K751	D598-K751 IonicContact OD2-NZ 3.69Å
599	Y	65.9	Low	69.7	Low	83 Å²	83	91.1 Å²	91.1	33%	0.325	45%	0.454	S	S	.	.			trans	-102	123.1	177.3	-178.1	-96.3	0	0	0	111.8	H593 C594 C597 T601 L607 H610	H593-Y599 CarbonylContact C-O 3.54Å; C594-Y599 WeakPolarHBondContact CB-O 3.34Å; C594-Y599 PolarHBondContact N-O 2.76Å; C597-Y599 PolarHBondContact O-N 2.89Å; Y599-T601 HydrophobicContact CE1-CG2 3.77Å; Y599-L607 HydrophobicContact CD1-CD1 4.44Å; Y599-H610 WeakPolarHBondContact CB-CE1 3.32Å; Y599-H610 HydrophobicContact CD1-CB 3.64Å; Y599-H610 AromaticContact CD1-CD2 3.55Å; Y599-H610 AromaticContact CD1-CE1 3.86Å; Y599-H610 AromaticContact CD1-CG 3.22Å; Y599-H610 AromaticContact CD1-ND1 3.44Å; Y599-H610 WeakPolarHBondContact CD1-ND1 3.48Å; Y599-H610 AromaticContact CD1-NE2 3.95Å; Y599-H610 AromaticContact CD2-ND1 3.9Å; Y599-H610 HydrophobicContact CE1-CB 3.47Å; Y599-H610 VanDerWaalsContact CE1-CB 3.47Å; Y599-H610 AromaticContact CE1-CG 3.62Å; Y599-H610 AromaticContact CE1-ND1 3.94Å; Y599-H610 HydrophobicContact CG-CB 4.49Å; Y599-H610 AromaticContact CG-CE1 3.54Å; Y599-H610 AromaticContact CG-CG 3.72Å; Y599-H610 AromaticContact CG-ND1 3.41Å; Y599-H610 AromaticContact CG-NE2 3.92Å
600	E	76.6	Confident	70.1	Confident	120 Å²	120	87.7 Å²	87.7	56%	0.561	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.6	179.3	-61.1	-176.2	175.2	0	0	111.1	L591 H593	L591-E600 HydrophobicContact CB-CB 4.4Å; H593-E600 HydrophobicContact CB-CG 4.05Å
601	T	78.1	Confident	70.4	Confident	16 Å²	16	81 Å²	81	10%	0.098	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	146.7	-179.6	-176.3	0	0	0	0	112.5	H592 Y599 E603 L606 L607	H592-T601 WeakPolarHBondContact CB-O 3.39Å; H592-T601 PolarHBondContact N-O 3.29Å; H592-T601 PolarHBondContact O-N 3.26Å; Y599-T601 HydrophobicContact CE1-CG2 3.77Å; T601-E603 WeakPolarHBondContact CG2-O 3.29Å; T601-E603 PolarHBondContact O-N 3.32Å; T601-L606 HydrophobicContact CG2-CB 3.75Å; T601-L606 WeakPolarHBondContact OG1-CB 3.42Å; T601-L606 WeakPolarHBondContact OG1-CD1 3.3Å; T601-L607 HydrophobicContact CG2-CB 3.83Å
602	A	77.8	Confident	70.2	Confident	58 Å²	58	82 Å²	82	48%	0.479	41%	0.407	S	S	.	.	S	Bend	trans	-72	-2.7	-177.9	0	0	0	0	0	114.8	L591	L591-A602 HydrophobicContact CD2-CB 4.03Å
603	E	72	Confident	69.6	Low	117 Å²	117	81.2 Å²	81.2	55%	0.547	41%	0.41	S	S	.	.			trans	-127.8	123.2	179.5	-63.2	178.6	-170.8	0	0	112	T601 G605 L606 L607	T601-E603 WeakPolarHBondContact CG2-O 3.29Å; T601-E603 PolarHBondContact O-N 3.32Å; E603-G605 PolarHBondContact O-N 2.92Å; E603-G605 VanDerWaalsContact O-N 3.07Å; E603-L606 HydrophobicContact CB-CB 4.22Å; E603-L606 HydrophobicContact CB-CD1 3.95Å; E603-L606 HydrophobicContact CB-CG 3.9Å; E603-L606 HydrophobicContact CG-CD1 4.16Å; E603-L606 WeakPolarHBondContact O-CB 3.32Å; E603-L606 PolarHBondContact O-N 3.18Å; E603-L606 WeakPolarHBondContact OE2-CG 3.18Å; E603-L607 PolarHBondContact O-N 3.17Å; E603-L607 VanDerWaalsContact O-N 3.08Å
604	Q	70.8	Confident	69.1	Low	83 Å²	83	79.2 Å²	79.2	39%	0.388	41%	0.407	S	S	.	.	H	α-helix	trans	-53.9	-29.4	171.5	-172.5	65.8	54	0	0	112.6	H592 L607 N608	H592-Q604 PolarHBondContact CD2-N 3.04Å; H592-Q604 VanDerWaalsContact CD2-N 3.32Å; H592-Q604 PolarHBondContact CE1-OE1 2.77Å; H592-Q604 PolarHBondContact ND1-OE1 3.31Å; Q604-L607 PolarHBondContact O-N 3.17Å; Q604-N608 PolarHBondContact NE2-OD1 3.11Å; Q604-N608 VanDerWaalsContact O-CB 3.3Å; Q604-N608 WeakPolarHBondContact O-CB 3.4Å; Q604-N608 PolarHBondContact O-N 2.89Å; Q604-N608 PolarHBondContact O-OD1 3.12Å
605	G	71.9	Confident	68.6	Low	49 Å²	49	81.5 Å²	81.5	51%	0.505	42%	0.416	S	S	.	.	H	α-helix	trans	-65.7	-37.3	175	0	0	0	0	0	113.5	E603 R609	E603-G605 PolarHBondContact O-N 2.92Å; E603-G605 VanDerWaalsContact O-N 3.07Å; G605-R609 WeakPolarHBondContact O-CB 3.39Å; G605-R609 PolarHBondContact O-N 3.02Å; G605-R609 VanDerWaalsContact O-N 3.08Å
606	L	73.1	Confident	68.3	Low	44 Å²	44	74.7 Å²	74.7	23%	0.23	39%	0.391	C	S	.	.	H	α-helix	trans	-72.2	-38.8	174	-63.7	175.4	0	0	0	110.8	T601 E603 R609 H610	T601-L606 HydrophobicContact CG2-CB 3.75Å; T601-L606 WeakPolarHBondContact OG1-CB 3.42Å; T601-L606 WeakPolarHBondContact OG1-CD1 3.3Å; E603-L606 HydrophobicContact CB-CB 4.22Å; E603-L606 HydrophobicContact CB-CD1 3.95Å; E603-L606 HydrophobicContact CB-CG 3.9Å; E603-L606 HydrophobicContact CG-CD1 4.16Å; E603-L606 WeakPolarHBondContact O-CB 3.32Å; E603-L606 PolarHBondContact O-N 3.18Å; E603-L606 WeakPolarHBondContact OE2-CG 3.18Å; L606-R609 PolarHBondContact O-N 3.29Å; L606-H610 WeakPolarHBondContact O-CB 3.46Å; L606-H610 PolarHBondContact O-N 3.1Å
607	L	72.3	Confident	68	Low	8 Å²	8	76.4 Å²	76.4	4%	0.042	40%	0.402	C	S	.	.	H	α-helix	trans	-64.2	-47.1	173.6	176.4	61.2	0	0	0	111.4	H592 H593 C594 Y599 T601 E603 Q604 R609 H610 L611	H592-L607 HydrophobicContact CB-CB 3.96Å; H592-L607 HydrophobicContact CB-CD2 3.71Å; H592-L607 HydrophobicContact CB-CG 4.43Å; H593-L607 WeakPolarHBondContact O-CD2 3.42Å; C594-L607 HydrophobicContact CB-CD1 3.77Å; Y599-L607 HydrophobicContact CD1-CD1 4.44Å; T601-L607 HydrophobicContact CG2-CB 3.83Å; E603-L607 PolarHBondContact O-N 3.17Å; E603-L607 VanDerWaalsContact O-N 3.08Å; Q604-L607 PolarHBondContact O-N 3.17Å; L607-R609 VanDerWaalsContact C-N 3.26Å; L607-R609 PolarHBondContact O-N 2.94Å; L607-H610 CarbonylContact O-C 3.58Å; L607-H610 WeakPolarHBondContact O-CA 3.42Å; L607-H610 WeakPolarHBondContact O-CB 3.44Å; L607-H610 PolarHBondContact O-N 3.08Å; L607-L611 HydrophobicContact CD1-CD1 4.16Å; L607-L611 HydrophobicContact CD1-CG 3.97Å; L607-L611 HydrophobicContact CD2-CD1 4.33Å; L607-L611 HydrophobicContact CG-CD1 3.86Å; L607-L611 HydrophobicContact CG-CG 4.18Å; L607-L611 WeakPolarHBondContact O-CG 3.03Å; L607-L611 PolarHBondContact O-N 3.22Å
608	N	66.1	Low	67.6	Low	82 Å²	82	80.9 Å²	80.9	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-58.6	-40.9	177.5	-74	-5.3	0	0	0	111.1	Q604 L612	Q604-N608 PolarHBondContact NE2-OD1 3.11Å; Q604-N608 VanDerWaalsContact O-CB 3.3Å; Q604-N608 WeakPolarHBondContact O-CB 3.4Å; Q604-N608 PolarHBondContact O-N 2.89Å; Q604-N608 PolarHBondContact O-OD1 3.12Å; N608-L612 PolarHBondContact O-N 3.01Å
609	R	66.8	Low	67	Low	166 Å²	166	77.1 Å²	77.1	63%	0.626	40%	0.399	S	S	*	.	H	α-helix	trans	-64	-41.4	172.5	-172.6	174.6	68	-163.6	1.4	112	G605 L606 L607 L612 A613	G605-R609 WeakPolarHBondContact O-CB 3.39Å; G605-R609 PolarHBondContact O-N 3.02Å; G605-R609 VanDerWaalsContact O-N 3.08Å; L606-R609 PolarHBondContact O-N 3.29Å; L607-R609 VanDerWaalsContact C-N 3.26Å; L607-R609 PolarHBondContact O-N 2.94Å; R609-L612 PolarHBondContact O-N 3.05Å; R609-A613 WeakPolarHBondContact O-CB 3.38Å; R609-A613 PolarHBondContact O-N 3.46Å
610	H	66.4	Low	66.8	Low	23 Å²	23	77.1 Å²	77.1	11%	0.106	42%	0.416	C	S	.	.	H	α-helix	trans	-64.2	-45.3	176	167.6	87.9	0	0	0	112.3	C594 C597 Y599 L606 L607 L612 A613 V614 H615	C594-H610 VanDerWaalsContact SG-CD2 3.54Å; C594-H610 PolarHBondContact SG-NE2 3Å; C597-H610 VanDerWaalsContact SG-CE1 3.51Å; C597-H610 PolarHBondContact SG-NE2 3.3Å; Y599-H610 WeakPolarHBondContact CB-CE1 3.32Å; Y599-H610 HydrophobicContact CD1-CB 3.64Å; Y599-H610 AromaticContact CD1-CD2 3.55Å; Y599-H610 AromaticContact CD1-CE1 3.86Å; Y599-H610 AromaticContact CD1-CG 3.22Å; Y599-H610 AromaticContact CD1-ND1 3.44Å; Y599-H610 WeakPolarHBondContact CD1-ND1 3.48Å; Y599-H610 AromaticContact CD1-NE2 3.95Å; Y599-H610 AromaticContact CD2-ND1 3.9Å; Y599-H610 HydrophobicContact CE1-CB 3.47Å; Y599-H610 VanDerWaalsContact CE1-CB 3.47Å; Y599-H610 AromaticContact CE1-CG 3.62Å; Y599-H610 AromaticContact CE1-ND1 3.94Å; Y599-H610 HydrophobicContact CG-CB 4.49Å; Y599-H610 AromaticContact CG-CE1 3.54Å; Y599-H610 AromaticContact CG-CG 3.72Å; Y599-H610 AromaticContact CG-ND1 3.41Å; Y599-H610 AromaticContact CG-NE2 3.92Å; L606-H610 WeakPolarHBondContact O-CB 3.46Å; L606-H610 PolarHBondContact O-N 3.1Å; L607-H610 CarbonylContact O-C 3.58Å; L607-H610 WeakPolarHBondContact O-CA 3.42Å; L607-H610 WeakPolarHBondContact O-CB 3.44Å; L607-H610 PolarHBondContact O-N 3.08Å; H610-L612 VanDerWaalsContact C-N 3.34Å; H610-L612 PolarHBondContact O-N 3Å; H610-A613 CarbonylContact O-C 3.24Å; H610-A613 PolarHBondContact O-N 3.21Å; H610-V614 PolarHBondContact O-N 2.84Å; H610-H615 AromaticContact CD2-CD2 3.98Å; H610-H615 AromaticContact CE1-NE2 3.86Å; H610-H615 AromaticContact NE2-CD2 3.42Å; H610-H615 PolarHBondContact NE2-CD2 2.89Å; H610-H615 AromaticContact NE2-NE2 3.19Å; H610-H615 PolarHBondContact NE2-NE2 2.78Å; H610-H615 VanDerWaalsContact NE2-NE2 3.19Å
611	L	66.1	Low	66.3	Low	41 Å²	41	74.3 Å²	74.3	22%	0.215	40%	0.403	C	S	.	.	I	π-helix	trans	-57.6	-46.8	175	-71.2	168.6	0	0	0	110.7	C594 Y596 L607 A613 H615 S616	C594-L611 VanDerWaalsContact SG-CD2 3.5Å; Y596-L611 HydrophobicContact CD2-CD2 3.73Å; Y596-L611 HydrophobicContact CE2-CD2 4.06Å; L607-L611 HydrophobicContact CD1-CD1 4.16Å; L607-L611 HydrophobicContact CD1-CG 3.97Å; L607-L611 HydrophobicContact CD2-CD1 4.33Å; L607-L611 HydrophobicContact CG-CD1 3.86Å; L607-L611 HydrophobicContact CG-CG 4.18Å; L607-L611 WeakPolarHBondContact O-CG 3.03Å; L607-L611 PolarHBondContact O-N 3.22Å; L611-A613 VanDerWaalsContact C-N 3.34Å; L611-A613 PolarHBondContact O-N 2.98Å; L611-H615 CarbonylContact O-C 3.51Å; L611-H615 PolarHBondContact O-N 3.01Å; L611-S616 PolarHBondContact O-N 2.89Å
612	L	65.6	Low	65.8	Low	112 Å²	112	77.2 Å²	77.2	59%	0.586	42%	0.421	S	S	*	.	I	π-helix	trans	-62.8	-36.8	171.5	-109.7	66.9	0	0	0	113.1	N608 R609 H610 R631	N608-L612 PolarHBondContact O-N 3.01Å; R609-L612 PolarHBondContact O-N 3.05Å; H610-L612 VanDerWaalsContact C-N 3.34Å; H610-L612 PolarHBondContact O-N 3Å; L612-R631 PolarHBondContact O-NE 3.32Å; L612-R631 PolarHBondContact O-NH2 3.15Å
613	A	61.3	Low	65.4	Low	41 Å²	41	74.5 Å²	74.5	34%	0.339	40%	0.398	S	S	.	.	I	π-helix	trans	-84.7	-19.1	-172.6	0	0	0	0	0	115.4	R609 H610 L611 R631	R609-A613 WeakPolarHBondContact O-CB 3.38Å; R609-A613 PolarHBondContact O-N 3.46Å; H610-A613 CarbonylContact O-C 3.24Å; H610-A613 PolarHBondContact O-N 3.21Å; L611-A613 VanDerWaalsContact C-N 3.34Å; L611-A613 PolarHBondContact O-N 2.98Å; A613-R631 VanDerWaalsContact C-CZ 3.46Å; A613-R631 VanDerWaalsContact C-NH2 3.3Å; A613-R631 VanDerWaalsContact CA-CZ 3.44Å; A613-R631 PolarHBondContact O-NH1 3.34Å; A613-R631 PolarHBondContact O-NH2 3.29Å; A613-R631 VanDerWaalsContact O-NH2 3.16Å
614	V	58.6	Low	65.1	Low	84 Å²	84	75.7 Å²	75.7	51%	0.509	41%	0.413	S	S	.	.	I	π-helix	trans	-127.3	-35.7	-173.8	-174.3	0	0	0	0	112.5	H610	H610-V614 PolarHBondContact O-N 2.84Å
615	H	61.5	Low	64.7	Low	56 Å²	56	77.2 Å²	77.2	26%	0.259	42%	0.42	S	S	.	.	I	π-helix	trans	-115.2	-25.5	-168.5	-59.9	-69.5	0	0	0	114.7	C594 Y596 C597 H610 L611 K617	C594-H615 PolarHBondContact SG-CD2 3.27Å; C594-H615 PolarHBondContact SG-NE2 2.89Å; C594-H615 VanDerWaalsContact SG-NE2 3.38Å; Y596-H615 VanDerWaalsContact CB-CE1 3.47Å; Y596-H615 WeakPolarHBondContact CB-CE1 3.44Å; Y596-H615 WeakPolarHBondContact CB-ND1 3.46Å; Y596-H615 HydrophobicContact CD2-CB 3.86Å; Y596-H615 AromaticContact CD2-CG 3.99Å; Y596-H615 HydrophobicContact CG-CB 4.25Å; Y596-H615 PolarHBondContact O-CE1 3.08Å; Y596-H615 VanDerWaalsContact O-CE1 3.31Å; C597-H615 PolarHBondContact SG-NE2 3.28Å; H610-H615 AromaticContact CD2-CD2 3.98Å; H610-H615 AromaticContact CE1-NE2 3.86Å; H610-H615 AromaticContact NE2-CD2 3.42Å; H610-H615 PolarHBondContact NE2-CD2 2.89Å; H610-H615 AromaticContact NE2-NE2 3.19Å; H610-H615 PolarHBondContact NE2-NE2 2.78Å; H610-H615 VanDerWaalsContact NE2-NE2 3.19Å; L611-H615 CarbonylContact O-C 3.51Å; L611-H615 PolarHBondContact O-N 3.01Å; H615-K617 PolarHBondContact O-N 3.33Å
616	S	61.1	Low	64.4	Low	34 Å²	34	77.3 Å²	77.3	24%	0.238	41%	0.412	C	S	.	.			trans	-69.5	117.4	174.1	-173	0	0	0	0	111	L611 N618	L611-S616 PolarHBondContact O-N 2.89Å; S616-N618 PolarHBondContact O-N 2.86Å; S616-N618 PolarHBondContact OG-N 3.41Å
617	K	57.4	Low	64	Low	193 Å²	193	79 Å²	79	84%	0.839	43%	0.433	S	S	*	.			trans	-68.1	-15.1	166.9	-69.6	-177.9	178.8	177.2	0	112.5	H615 F619	H615-K617 PolarHBondContact O-N 3.33Å; K617-F619 WeakPolarHBondContact O-CD2 3.49Å; K617-F619 PolarHBondContact O-N 3.06Å
618	N	60.6	Low	63.6	Low	140 Å²	140	84.5 Å²	84.5	75%	0.749	46%	0.456	S	S	*	.			trans	-76.1	72.4	176.8	-71.6	2.1	0	0	0	111.1	S616 A620	S616-N618 PolarHBondContact O-N 2.86Å; S616-N618 PolarHBondContact OG-N 3.41Å; N618-A620 PolarHBondContact O-N 2.86Å
619	F	57.1	Low	63.6	Low	70 Å²	70	81.6 Å²	81.6	31%	0.307	45%	0.446	S	S	.	.			trans	-71.1	98.8	155.9	-63.1	-81.1	0	0	0	108.2	K617 H621 V622 G629 R631	K617-F619 WeakPolarHBondContact O-CD2 3.49Å; K617-F619 PolarHBondContact O-N 3.06Å; F619-H621 PolarHBondContact O-N 2.97Å; F619-V622 HydrophobicContact CB-CG2 4.44Å; F619-V622 WeakPolarHBondContact O-CG2 3.25Å; F619-G629 WeakPolarHBondContact CD1-O 3.44Å; F619-G629 VanDerWaalsContact CG-CA 3.44Å; F619-R631 VanDerWaalsContact CE1-NH2 3.32Å
620	A	61.3	Low	64.1	Low	82 Å²	82	75.5 Å²	75.5	68%	0.678	42%	0.424	S	S	*	.	S	Bend	trans	-60.8	-10.4	-178.5	0	0	0	0	0	114.2	N618	N618-A620 PolarHBondContact O-N 2.86Å
621	H	66.3	Low	64.5	Low	62 Å²	62	78 Å²	78	29%	0.287	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	88.5	-178.3	-57.7	-52	0	0	0	109.8	F619 F630 P633 L636	F619-H621 PolarHBondContact O-N 2.97Å; H621-F630 PolarHBondContact O-N 3.23Å; H621-P633 VanDerWaalsContact CD2-CD 3.44Å; H621-P633 WeakPolarHBondContact CD2-CD 3.39Å; H621-P633 VanDerWaalsContact CD2-N 3.31Å; H621-P633 WeakPolarHBondContact NE2-CD 3.35Å; H621-L636 HydrophobicContact CB-CB 4.05Å; H621-L636 HydrophobicContact CB-CD2 3.79Å
622	V	68.1	Low	64.9	Low	77 Å²	77	81 Å²	81	47%	0.467	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.1	176.2	-175.6	0	0	0	0	110.3	F619 K628	F619-V622 HydrophobicContact CB-CG2 4.44Å; F619-V622 WeakPolarHBondContact O-CG2 3.25Å; V622-K628 WeakPolarHBondContact CA-O 3.4Å
623	C	68.1	Low	65.3	Low	1 Å²	1	79.2 Å²	79.2	1%	0.007	44%	0.44	C	S	.	.			trans	-76.3	119.8	170.1	176.4	0	0	0	0	111	E625 C626 A627 K628 F630 L636 H639 M640 H643	C623-E625 VanDerWaalsContact C-N 3.28Å; C623-E625 PolarHBondContact O-N 3.05Å; C623-C626 PolarHBondContact O-N 3.22Å; C623-A627 VanDerWaalsContact O-CA 3.25Å; C623-A627 WeakPolarHBondContact O-CA 3.48Å; C623-A627 PolarHBondContact O-N 3.34Å; C623-K628 HydrophobicContact CB-CB 4.47Å; C623-K628 WeakPolarHBondContact CB-O 3.45Å; C623-K628 PolarHBondContact N-O 3Å; C623-F630 HydrophobicContact CB-CE2 4.3Å; C623-L636 HydrophobicContact CB-CD1 3.74Å; C623-H639 PolarHBondContact SG-NE2 2.95Å; C623-H639 VanDerWaalsContact SG-NE2 3.41Å; C623-M640 HydrophobicContact CB-SD 4.3Å; C623-H643 VanDerWaalsContact SG-CD2 3.56Å; C623-H643 PolarHBondContact SG-NE2 2.98Å
624	V	66.2	Low	66.1	Low	141 Å²	141	80.8 Å²	80.8	86%	0.855	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-38	178.7	-175.1	0	0	0	0	112
625	E	63.2	Low	67	Low	116 Å²	116	80.4 Å²	80.4	54%	0.542	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-16.8	-172.5	-63.8	179.9	-103.2	0	0	114.9	C623 M640 H643	C623-E625 VanDerWaalsContact C-N 3.28Å; C623-E625 PolarHBondContact O-N 3.05Å; E625-M640 HydrophobicContact CG-CE 4.38Å; E625-M640 WeakPolarHBondContact OE1-CE 3.4Å; E625-H643 VanDerWaalsContact OE1-CB 3.32Å; E625-H643 WeakPolarHBondContact OE1-CB 3.47Å; E625-H643 IonicContact OE1-CD2 3.86Å; E625-H643 IonicContact OE1-CG 2.63Å; E625-H643 WeakPolarHBondContact OE2-CB 3.35Å; E625-H643 IonicContact OE2-CG 3.8Å
626	C	64.8	Low	67.7	Low	50 Å²	50	79.2 Å²	79.2	34%	0.338	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.7	16.8	-179.6	76	0	0	0	0	115.6	C623 K628 H639	C623-C626 PolarHBondContact O-N 3.22Å; C626-K628 PolarHBondContact O-N 2.88Å; C626-H639 PolarHBondContact SG-NE2 3.27Å
627	A	65.4	Low	68.5	Low	80 Å²	80	84.7 Å²	84.7	66%	0.661	46%	0.456	S	S	*	.			trans	55.4	10.7	178.3	0	0	0	0	0	116.7	C623 G629	C623-A627 VanDerWaalsContact O-CA 3.25Å; C623-A627 WeakPolarHBondContact O-CA 3.48Å; C623-A627 PolarHBondContact O-N 3.34Å; A627-G629 PolarHBondContact O-N 2.93Å
628	K	63.1	Low	69.5	Low	123 Å²	123	79.5 Å²	79.5	54%	0.535	43%	0.434	S	S	.	.			trans	-70.5	124.7	177	-73.8	179	-176.7	169.2	0	111	V622 C623 C626 F630	V622-K628 WeakPolarHBondContact CA-O 3.4Å; C623-K628 HydrophobicContact CB-CB 4.47Å; C623-K628 WeakPolarHBondContact CB-O 3.45Å; C623-K628 PolarHBondContact N-O 3Å; C626-K628 PolarHBondContact O-N 2.88Å; K628-F630 HydrophobicContact CB-CE2 3.68Å; K628-F630 HydrophobicContact CB-CZ 3.92Å; K628-F630 WeakPolarHBondContact O-CD2 3.39Å; K628-F630 WeakPolarHBondContact O-CE2 3.46Å
629	G	66.8	Low	70.4	Confident	21 Å²	21	73.8 Å²	73.8	22%	0.216	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141.8	175.5	0	0	0	0	0	113.4	F619 A627	F619-G629 WeakPolarHBondContact CD1-O 3.44Å; F619-G629 VanDerWaalsContact CG-CA 3.44Å; A627-G629 PolarHBondContact O-N 2.93Å
630	F	77.6	Confident	71.1	Confident	39 Å²	39	72.9 Å²	72.9	17%	0.171	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.8	178	-63	-86	0	0	0	112.1	H621 C623 K628 E635 L636 H639	H621-F630 PolarHBondContact O-N 3.23Å; C623-F630 HydrophobicContact CB-CE2 4.3Å; K628-F630 HydrophobicContact CB-CE2 3.68Å; K628-F630 HydrophobicContact CB-CZ 3.92Å; K628-F630 WeakPolarHBondContact O-CD2 3.39Å; K628-F630 WeakPolarHBondContact O-CE2 3.46Å; F630-E635 HydrophobicContact CB-CB 4.03Å; F630-E635 HydrophobicContact CD1-CB 3.77Å; F630-E635 HydrophobicContact CG-CB 4.21Å; F630-L636 HydrophobicContact CB-CB 4.17Å; F630-L636 HydrophobicContact CD2-CB 4.03Å; F630-L636 HydrophobicContact CD2-CD1 3.86Å; F630-L636 HydrophobicContact CE2-CD1 4.16Å; F630-L636 HydrophobicContact CG-CB 4.21Å; F630-H639 HydrophobicContact CE1-CB 3.93Å; F630-H639 HydrophobicContact CE2-CB 3.96Å; F630-H639 AromaticContact CE2-CD2 3.16Å; F630-H639 WeakPolarHBondContact CE2-CD2 3.31Å; F630-H639 AromaticContact CE2-CG 3.74Å; F630-H639 HydrophobicContact CZ-CB 3.49Å; F630-H639 VanDerWaalsContact CZ-CB 3.49Å; F630-H639 AromaticContact CZ-CD2 3.24Å; F630-H639 WeakPolarHBondContact CZ-CD2 3.38Å; F630-H639 AromaticContact CZ-CG 3.34Å
631	R	74.1	Confident	72	Confident	74 Å²	74	71 Å²	71	28%	0.279	38%	0.375	S	S	.	.	S	Bend	trans	-82.3	-32.3	-178.3	-68.2	-78.8	144.7	50.2	-11.9	111.5	L612 A613 F619 E635	L612-R631 PolarHBondContact O-NE 3.32Å; L612-R631 PolarHBondContact O-NH2 3.15Å; A613-R631 VanDerWaalsContact C-CZ 3.46Å; A613-R631 VanDerWaalsContact C-NH2 3.3Å; A613-R631 VanDerWaalsContact CA-CZ 3.44Å; A613-R631 PolarHBondContact O-NH1 3.34Å; A613-R631 PolarHBondContact O-NH2 3.29Å; A613-R631 VanDerWaalsContact O-NH2 3.16Å; F619-R631 VanDerWaalsContact CE1-NH2 3.32Å; R631-E635 WeakPolarHBondContact CB-OE2 3.44Å; R631-E635 PolarHBondContact N-OE2 3.46Å
632	H	75.2	Confident	72.2	Confident	105 Å²	105	72.5 Å²	72.5	49%	0.486	39%	0.389	S	S	.	.	S	Bend	trans	-131.1	146.4	-176.7	-58.9	-51.3	0	0	0	111.5	S634 E635 L636	H632-S634 PolarHBondContact O-N 3.35Å; H632-E635 HydrophobicContact CB-CG 4.17Å; H632-E635 IonicContact CD2-OE1 3.89Å; H632-E635 PolarHBondContact N-OE2 2.93Å; H632-E635 VanDerWaalsContact N-OE2 3.1Å; H632-E635 WeakPolarHBondContact O-CB 3.36Å; H632-E635 PolarHBondContact O-N 2.83Å; H632-L636 PolarHBondContact O-N 3.1Å
633	P	73.2	Confident	72.4	Confident	75 Å²	75	71.9 Å²	71.9	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-68.7	-19.1	-178.4	27.4	-30.8	0	0	0	111.7	H621 K637	H621-P633 VanDerWaalsContact CD2-CD 3.44Å; H621-P633 WeakPolarHBondContact CD2-CD 3.39Å; H621-P633 VanDerWaalsContact CD2-N 3.31Å; H621-P633 WeakPolarHBondContact NE2-CD 3.35Å; P633-K637 VanDerWaalsContact O-CB 3.23Å; P633-K637 WeakPolarHBondContact O-CB 3.39Å; P633-K637 PolarHBondContact O-N 3.39Å
634	S	78.2	Confident	72.4	Confident	74 Å²	74	75.7 Å²	75.7	52%	0.517	40%	0.404	S	S	.	.	H	α-helix	trans	-68.6	-30.4	169.6	50.4	0	0	0	0	113.5	H632 K638	H632-S634 PolarHBondContact O-N 3.35Å; S634-K638 WeakPolarHBondContact O-CG 3.45Å; S634-K638 PolarHBondContact O-N 3.24Å
635	E	77.5	Confident	72.6	Confident	76 Å²	76	71.2 Å²	71.2	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-77.7	-45.3	175.1	-61.7	168.8	160.7	0	0	110.2	F630 R631 H632 K637 K638 H639	F630-E635 HydrophobicContact CB-CB 4.03Å; F630-E635 HydrophobicContact CD1-CB 3.77Å; F630-E635 HydrophobicContact CG-CB 4.21Å; R631-E635 WeakPolarHBondContact CB-OE2 3.44Å; R631-E635 PolarHBondContact N-OE2 3.46Å; H632-E635 HydrophobicContact CB-CG 4.17Å; H632-E635 IonicContact CD2-OE1 3.89Å; H632-E635 PolarHBondContact N-OE2 2.93Å; H632-E635 VanDerWaalsContact N-OE2 3.1Å; H632-E635 WeakPolarHBondContact O-CB 3.36Å; H632-E635 PolarHBondContact O-N 2.83Å; E635-K637 VanDerWaalsContact C-N 3.33Å; E635-K637 PolarHBondContact O-N 3.01Å; E635-K638 WeakPolarHBondContact O-CB 3.43Å; E635-K638 PolarHBondContact O-N 3.42Å; E635-H639 PolarHBondContact O-N 3.45Å
636	L	77.5	Confident	73.1	Confident	30 Å²	30	70.9 Å²	70.9	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-56.1	-47.7	171	175.4	59.3	0	0	0	110.6	H621 C623 F630 H632 K638 H639 M640	H621-L636 HydrophobicContact CB-CB 4.05Å; H621-L636 HydrophobicContact CB-CD2 3.79Å; C623-L636 HydrophobicContact CB-CD1 3.74Å; F630-L636 HydrophobicContact CB-CB 4.17Å; F630-L636 HydrophobicContact CD2-CB 4.03Å; F630-L636 HydrophobicContact CD2-CD1 3.86Å; F630-L636 HydrophobicContact CE2-CD1 4.16Å; F630-L636 HydrophobicContact CG-CB 4.21Å; H632-L636 PolarHBondContact O-N 3.1Å; L636-K638 VanDerWaalsContact C-N 3.28Å; L636-K638 PolarHBondContact O-N 2.88Å; L636-H639 CarbonylContact O-C 3.54Å; L636-H639 WeakPolarHBondContact O-CA 3.49Å; L636-H639 PolarHBondContact O-N 2.63Å; L636-M640 HydrophobicContact CD1-CG 4.06Å; L636-M640 HydrophobicContact CD1-SD 3.8Å; L636-M640 HydrophobicContact CG-CG 4.3Å; L636-M640 WeakPolarHBondContact O-CG 3.45Å; L636-M640 PolarHBondContact O-N 3.5Å
637	K	77.4	Confident	73.7	Confident	150 Å²	150	73.7 Å²	73.7	65%	0.652	39%	0.392	S	S	*	.	H	α-helix	trans	-64.1	-28.1	179.3	-173	164.5	-174.7	166.5	0	113.8	P633 E635	P633-K637 VanDerWaalsContact O-CB 3.23Å; P633-K637 WeakPolarHBondContact O-CB 3.39Å; P633-K637 PolarHBondContact O-N 3.39Å; E635-K637 VanDerWaalsContact C-N 3.33Å; E635-K637 PolarHBondContact O-N 3.01Å
638	K	78.7	Confident	74.2	Confident	84 Å²	84	73.1 Å²	73.1	37%	0.365	38%	0.381	S	S	.	.	H	α-helix	trans	-70.6	-44.3	168.2	-75.8	171.5	171.9	-133.4	0	111.3	S634 E635 L636 R641 D660	S634-K638 WeakPolarHBondContact O-CG 3.45Å; S634-K638 PolarHBondContact O-N 3.24Å; E635-K638 WeakPolarHBondContact O-CB 3.43Å; E635-K638 PolarHBondContact O-N 3.42Å; L636-K638 VanDerWaalsContact C-N 3.28Å; L636-K638 PolarHBondContact O-N 2.88Å; K638-R641 VanDerWaalsContact O-CB 3.32Å; K638-R641 WeakPolarHBondContact O-CB 3.49Å; K638-R641 PolarHBondContact O-N 2.9Å; K638-D660 WeakPolarHBondContact CD-OD1 3.38Å; K638-D660 VanDerWaalsContact CE-OD1 3.25Å; K638-D660 WeakPolarHBondContact CE-OD1 3.12Å; K638-D660 IonicContact NZ-OD1 3.03Å; K638-D660 PolarHBondContact NZ-OD1 2.55Å
639	H	78.4	Confident	74.9	Confident	20 Å²	20	70.4 Å²	70.4	9%	0.093	37%	0.368	C	S	.	.	H	α-helix	trans	-66.2	-36.9	180	171.5	46	0	0	0	113.2	C623 C626 F630 E635 L636 R641 T642 H643	C623-H639 PolarHBondContact SG-NE2 2.95Å; C623-H639 VanDerWaalsContact SG-NE2 3.41Å; C626-H639 PolarHBondContact SG-NE2 3.27Å; F630-H639 HydrophobicContact CE1-CB 3.93Å; F630-H639 HydrophobicContact CE2-CB 3.96Å; F630-H639 AromaticContact CE2-CD2 3.16Å; F630-H639 WeakPolarHBondContact CE2-CD2 3.31Å; F630-H639 AromaticContact CE2-CG 3.74Å; F630-H639 HydrophobicContact CZ-CB 3.49Å; F630-H639 VanDerWaalsContact CZ-CB 3.49Å; F630-H639 AromaticContact CZ-CD2 3.24Å; F630-H639 WeakPolarHBondContact CZ-CD2 3.38Å; F630-H639 AromaticContact CZ-CG 3.34Å; E635-H639 PolarHBondContact O-N 3.45Å; L636-H639 CarbonylContact O-C 3.54Å; L636-H639 WeakPolarHBondContact O-CA 3.49Å; L636-H639 PolarHBondContact O-N 2.63Å; H639-R641 PolarHBondContact O-N 2.79Å; H639-T642 PolarHBondContact CE1-OG1 3.19Å; H639-T642 PolarHBondContact ND1-OG1 2.94Å; H639-T642 VanDerWaalsContact ND1-OG1 3.08Å; H639-T642 WeakPolarHBondContact O-CB 3.43Å; H639-T642 PolarHBondContact O-N 2.9Å; H639-T642 PolarHBondContact O-OG1 3.49Å; H639-H643 AromaticContact CE1-CE1 3.51Å; H639-H643 AromaticContact CE1-NE2 3.21Å; H639-H643 PolarHBondContact CE1-NE2 3.3Å; H639-H643 AromaticContact NE2-CE1 3.84Å; H639-H643 AromaticContact NE2-NE2 3.15Å; H639-H643 PolarHBondContact NE2-NE2 3.01Å; H639-H643 VanDerWaalsContact NE2-NE2 3.15Å
640	M	72.8	Confident	75.6	Confident	51 Å²	51	74.8 Å²	74.8	25%	0.251	38%	0.383	S	S	.	.	H	α-helix	trans	-56.8	-27.5	176.1	-65.4	-51.5	-63.2	0	0	112.7	C623 E625 L636 T642 H643 T644	C623-M640 HydrophobicContact CB-SD 4.3Å; E625-M640 HydrophobicContact CG-CE 4.38Å; E625-M640 WeakPolarHBondContact OE1-CE 3.4Å; L636-M640 HydrophobicContact CD1-CG 4.06Å; L636-M640 HydrophobicContact CD1-SD 3.8Å; L636-M640 HydrophobicContact CG-CG 4.3Å; L636-M640 WeakPolarHBondContact O-CG 3.45Å; L636-M640 PolarHBondContact O-N 3.5Å; M640-T642 PolarHBondContact O-N 3.39Å; M640-H643 PolarHBondContact O-N 3.09Å; M640-T644 PolarHBondContact O-N 3.28Å; M640-T644 PolarHBondContact O-OG1 3.04Å
641	R	79.1	Confident	75.7	Confident	42 Å²	42	73.1 Å²	73.1	16%	0.158	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.3	173.1	-59	174.5	177.7	153.2	-1.2	114.2	K638 H639 H643 G645 E646 A659	K638-R641 VanDerWaalsContact O-CB 3.32Å; K638-R641 WeakPolarHBondContact O-CB 3.49Å; K638-R641 PolarHBondContact O-N 2.9Å; H639-R641 PolarHBondContact O-N 2.79Å; R641-H643 VanDerWaalsContact C-N 3.26Å; R641-G645 PolarHBondContact O-N 2.87Å; R641-E646 HydrophobicContact CB-CB 4.39Å; R641-E646 HydrophobicContact CG-CB 4.29Å; R641-A659 HydrophobicContact CB-CB 3.8Å; R641-A659 VanDerWaalsContact CD-O 3.29Å; R641-A659 WeakPolarHBondContact CD-O 3.4Å; R641-A659 PolarHBondContact NH1-O 2.81Å
642	T	71.6	Confident	75.6	Confident	93 Å²	93	74.4 Å²	74.4	57%	0.571	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.8	171.9	68.9	0	0	0	0	112.4	H639 M640	H639-T642 PolarHBondContact CE1-OG1 3.19Å; H639-T642 PolarHBondContact ND1-OG1 2.94Å; H639-T642 VanDerWaalsContact ND1-OG1 3.08Å; H639-T642 WeakPolarHBondContact O-CB 3.43Å; H639-T642 PolarHBondContact O-N 2.9Å; H639-T642 PolarHBondContact O-OG1 3.49Å; M640-T642 PolarHBondContact O-N 3.39Å
643	H	71	Confident	75.2	Confident	64 Å²	64	73.7 Å²	73.7	30%	0.296	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-48.3	177.2	-51.7	-46.1	0	0	0	111.5	C623 E625 H639 M640 R641 G645	C623-H643 VanDerWaalsContact SG-CD2 3.56Å; C623-H643 PolarHBondContact SG-NE2 2.98Å; E625-H643 VanDerWaalsContact OE1-CB 3.32Å; E625-H643 WeakPolarHBondContact OE1-CB 3.47Å; E625-H643 IonicContact OE1-CD2 3.86Å; E625-H643 IonicContact OE1-CG 2.63Å; E625-H643 WeakPolarHBondContact OE2-CB 3.35Å; E625-H643 IonicContact OE2-CG 3.8Å; H639-H643 AromaticContact CE1-CE1 3.51Å; H639-H643 AromaticContact CE1-NE2 3.21Å; H639-H643 PolarHBondContact CE1-NE2 3.3Å; H639-H643 AromaticContact NE2-CE1 3.84Å; H639-H643 AromaticContact NE2-NE2 3.15Å; H639-H643 PolarHBondContact NE2-NE2 3.01Å; H639-H643 VanDerWaalsContact NE2-NE2 3.15Å; M640-H643 PolarHBondContact O-N 3.09Å; R641-H643 VanDerWaalsContact C-N 3.26Å; H643-G645 PolarHBondContact O-N 2.97Å; H643-G645 VanDerWaalsContact O-N 3.08Å
644	T	69.3	Low	75.3	Confident	81 Å²	81	72.4 Å²	72.4	50%	0.497	38%	0.383	S	S	.	.	S	Bend	trans	-68.3	-7.8	175.9	65.8	0	0	0	0	113.7	M640 E646	M640-T644 PolarHBondContact O-N 3.28Å; M640-T644 PolarHBondContact O-OG1 3.04Å; T644-E646 PolarHBondContact O-N 3.39Å; T644-E646 WeakPolarHBondContact OG1-CG 3.31Å
645	G	70.6	Confident	75.2	Confident	47 Å²	47	77.6 Å²	77.6	49%	0.485	40%	0.399	S	S	.	.			trans	68	1.2	-178.2	0	0	0	0	0	114.6	R641 H643 K647	R641-G645 PolarHBondContact O-N 2.87Å; H643-G645 PolarHBondContact O-N 2.97Å; H643-G645 VanDerWaalsContact O-N 3.08Å; G645-K647 PolarHBondContact O-N 2.94Å
646	E	73.5	Confident	75	Confident	110 Å²	110	78 Å²	78	51%	0.514	40%	0.4	S	S	.	.			trans	-58.5	124.7	-177.5	-79	-176.8	-176.3	0	0	111.8	R641 T644 P648	R641-E646 HydrophobicContact CB-CB 4.39Å; R641-E646 HydrophobicContact CG-CB 4.29Å; T644-E646 PolarHBondContact O-N 3.39Å; T644-E646 WeakPolarHBondContact OG1-CG 3.31Å; E646-P648 WeakPolarHBondContact O-CD 3.5Å
647	K	76.3	Confident	75.2	Confident	109 Å²	109	82.8 Å²	82.8	47%	0.474	42%	0.415	S	S	.	.			trans	-122	78.3	175.8	-67.7	162.4	179.5	175.8	0	109.9	G645 Y649 R657 C658	G645-K647 PolarHBondContact O-N 2.94Å; K647-Y649 PolarHBondContact O-N 3.18Å; K647-R657 HydrophobicContact CB-CB 3.65Å; K647-R657 HydrophobicContact CD-CB 4.25Å; K647-R657 WeakPolarHBondContact CD-O 3.41Å; K647-R657 HydrophobicContact CG-CB 4.49Å; K647-R657 PolarHBondContact O-NE 3.33Å; K647-R657 VanDerWaalsContact O-NE 3.08Å; K647-R657 PolarHBondContact O-NH2 2.89Å; K647-C658 CarbonylContact C-O 3.59Å; K647-C658 WeakPolarHBondContact CA-O 3.38Å
648	P	77.5	Confident	75.2	Confident	67 Å²	67	76.1 Å²	76.1	44%	0.435	39%	0.387	S	S	.	.			trans	-69.3	-21.7	-174.7	-19.2	33.6	0	0	0	113.5	E646	E646-P648 WeakPolarHBondContact O-CD 3.5Å
649	Y	77.3	Confident	75.2	Confident	67 Å²	67	73.1 Å²	73.1	26%	0.263	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	95	-173.8	-54.7	-76.2	0	0	0	110.3	K647 R657 C658 A659 Q661	K647-Y649 PolarHBondContact O-N 3.18Å; Y649-R657 WeakPolarHBondContact O-CA 3.33Å; Y649-C658 PolarHBondContact N-O 3.48Å; Y649-C658 VanDerWaalsContact N-O 3.1Å; Y649-C658 PolarHBondContact O-N 3.48Å; Y649-A659 WeakPolarHBondContact CE2-O 3.3Å; Y649-Q661 HydrophobicContact CD1-CB 4.01Å; Y649-Q661 HydrophobicContact CD1-CG 4.25Å; Y649-Q661 HydrophobicContact CE1-CB 3.83Å; Y649-Q661 HydrophobicContact CE1-CG 4.2Å; Y649-Q661 HydrophobicContact CE2-CB 4.39Å; Y649-Q661 HydrophobicContact CG-CB 4.38Å
650	Q	80.9	Confident	75.1	Confident	113 Å²	113	73.8 Å²	73.8	53%	0.528	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.2	172.8	-177	164.4	-11.7	0	0	111.4	F656 R657 L664	Q650-F656 CarbonylContact C-O 3.53Å; Q650-R657 HydrophobicContact CB-CG 3.9Å; Q650-R657 HydrophobicContact CG-CG 3.9Å; Q650-L664 VanDerWaalsContact O-CD2 3.31Å; Q650-L664 WeakPolarHBondContact O-CD2 3.39Å
651	C	79.1	Confident	75.3	Confident	4 Å²	4	77 Å²	77	3%	0.027	40%	0.397	C	S	.	.			trans	-77.4	132.3	170.5	-171.2	0	0	0	0	110.6	H653 C654 F656 L664 H667	C651-H653 PolarHBondContact O-N 2.87Å; C651-H653 PolarHBondContact SG-N 3.31Å; C651-C654 WeakPolarHBondContact CB-O 3.29Å; C651-F656 HydrophobicContact CB-CB 4.31Å; C651-F656 PolarHBondContact N-O 3.32Å; C651-L664 HydrophobicContact CB-CD1 3.96Å; C651-H667 PolarHBondContact SG-NE2 3.16Å
652	P	72	Confident	75.3	Confident	100 Å²	100	78.6 Å²	78.6	65%	0.649	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-3.3	174.2	30.7	-34.5	0	0	0	113.2
653	H	67.9	Low	75.7	Confident	90 Å²	90	78.3 Å²	78.3	42%	0.417	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-5.7	-176	-50.8	-66.2	0	0	0	114.1	C651 H672	C651-H653 PolarHBondContact O-N 2.87Å; C651-H653 PolarHBondContact SG-N 3.31Å; H653-H672 HydrophobicContact CB-CB 4.35Å; H653-H672 VanDerWaalsContact CB-CE1 3.42Å; H653-H672 WeakPolarHBondContact CB-CE1 3.49Å; H653-H672 VanDerWaalsContact CB-ND1 3.34Å; H653-H672 WeakPolarHBondContact CB-ND1 3.43Å; H653-H672 PolarHBondContact O-CE1 3.49Å; H653-H672 VanDerWaalsContact O-CE1 3.3Å
654	C	74.9	Confident	76.2	Confident	49 Å²	49	76.2 Å²	76.2	33%	0.331	40%	0.401	S	S	.	.	S	Bend	trans	-163.7	173.2	170.4	68.2	0	0	0	0	111.4	C651 F656 H667 H672	C651-C654 WeakPolarHBondContact CB-O 3.29Å; C654-F656 PolarHBondContact O-N 3.28Å; C654-F656 VanDerWaalsContact SG-CB 3.59Å; C654-H667 PolarHBondContact SG-NE2 3.42Å; C654-H672 PolarHBondContact SG-NE2 3.07Å
655	E	76.7	Confident	76.6	Confident	183 Å²	183	77 Å²	77	86%	0.855	40%	0.398	S	S	*	.	S	Bend	trans	-69.8	2	-178.1	-55.6	-174.5	151.9	0	0	114.9	R657	E655-R657 PolarHBondContact O-N 3.29Å
656	F	73.3	Confident	77.1	Confident	85 Å²	85	79 Å²	79	37%	0.373	40%	0.4	S	S	.	.			trans	-64.2	125.1	-179.9	-178.3	-98.1	0	0	0	111.9	Q650 C651 C654 C658 H667	Q650-F656 CarbonylContact C-O 3.53Å; C651-F656 HydrophobicContact CB-CB 4.31Å; C651-F656 PolarHBondContact N-O 3.32Å; C654-F656 PolarHBondContact O-N 3.28Å; C654-F656 VanDerWaalsContact SG-CB 3.59Å; F656-C658 HydrophobicContact CE1-CB 3.79Å; F656-C658 HydrophobicContact CZ-CB 4.06Å; F656-H667 WeakPolarHBondContact CB-CE1 3.47Å; F656-H667 HydrophobicContact CD1-CB 3.95Å; F656-H667 AromaticContact CD1-CD2 3.6Å; F656-H667 AromaticContact CD1-CE1 3.67Å; F656-H667 AromaticContact CD1-CG 3.34Å; F656-H667 AromaticContact CD1-ND1 3.38Å; F656-H667 WeakPolarHBondContact CD1-ND1 3.45Å; F656-H667 AromaticContact CD1-NE2 3.81Å; F656-H667 AromaticContact CD2-ND1 3.97Å; F656-H667 HydrophobicContact CE1-CB 3.71Å; F656-H667 AromaticContact CE1-CG 3.62Å; F656-H667 AromaticContact CE1-ND1 3.76Å; F656-H667 AromaticContact CG-CE1 3.45Å; F656-H667 VanDerWaalsContact CG-CE1 3.45Å; F656-H667 WeakPolarHBondContact CG-CE1 3.4Å; F656-H667 AromaticContact CG-CG 3.95Å; F656-H667 AromaticContact CG-ND1 3.49Å; F656-H667 WeakPolarHBondContact CG-ND1 3.37Å; F656-H667 AromaticContact CG-NE2 3.88Å; F656-H667 HydrophobicContact CZ-CB 4.47Å
657	R	80.8	Confident	77.4	Confident	129 Å²	129	74.9 Å²	74.9	49%	0.487	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.9	175.4	-58.8	-179.8	58.5	-175.1	2	111	K647 Y649 Q650 E655	K647-R657 HydrophobicContact CB-CB 3.65Å; K647-R657 HydrophobicContact CD-CB 4.25Å; K647-R657 WeakPolarHBondContact CD-O 3.41Å; K647-R657 HydrophobicContact CG-CB 4.49Å; K647-R657 PolarHBondContact O-NE 3.33Å; K647-R657 VanDerWaalsContact O-NE 3.08Å; K647-R657 PolarHBondContact O-NH2 2.89Å; Y649-R657 WeakPolarHBondContact O-CA 3.33Å; Q650-R657 HydrophobicContact CB-CG 3.9Å; Q650-R657 HydrophobicContact CG-CG 3.9Å; E655-R657 PolarHBondContact O-N 3.29Å
658	C	78.1	Confident	77.5	Confident	10 Å²	10	70.9 Å²	70.9	7%	0.068	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	163.7	177.6	66.8	0	0	0	0	113.8	K647 Y649 F656 D660 N663 L664	K647-C658 CarbonylContact C-O 3.59Å; K647-C658 WeakPolarHBondContact CA-O 3.38Å; Y649-C658 PolarHBondContact N-O 3.48Å; Y649-C658 VanDerWaalsContact N-O 3.1Å; Y649-C658 PolarHBondContact O-N 3.48Å; F656-C658 HydrophobicContact CE1-CB 3.79Å; F656-C658 HydrophobicContact CZ-CB 4.06Å; C658-D660 PolarHBondContact SG-O 3.25Å; C658-D660 VanDerWaalsContact SG-O 3.34Å; C658-N663 HydrophobicContact CB-CB 4.5Å; C658-L664 PolarHBondContact SG-N 2.83Å
659	A	77.4	Confident	77.4	Confident	22 Å²	22	71.5 Å²	71.5	18%	0.182	36%	0.36	C	S	.	.	S	Bend	trans	-81.3	-11.7	-177.3	0	0	0	0	0	114.6	R641 Y649	R641-A659 HydrophobicContact CB-CB 3.8Å; R641-A659 VanDerWaalsContact CD-O 3.29Å; R641-A659 WeakPolarHBondContact CD-O 3.4Å; R641-A659 PolarHBondContact NH1-O 2.81Å; Y649-A659 WeakPolarHBondContact CE2-O 3.3Å
660	D	78.1	Confident	77.2	Confident	34 Å²	34	72.5 Å²	72.5	18%	0.182	38%	0.377	C	S	.	.			trans	-139.1	128.8	-171.5	-109.4	-46.9	0	0	0	112.9	K638 C658 S662 N663 L664	K638-D660 WeakPolarHBondContact CD-OD1 3.38Å; K638-D660 VanDerWaalsContact CE-OD1 3.25Å; K638-D660 WeakPolarHBondContact CE-OD1 3.12Å; K638-D660 IonicContact NZ-OD1 3.03Å; K638-D660 PolarHBondContact NZ-OD1 2.55Å; C658-D660 PolarHBondContact SG-O 3.25Å; C658-D660 VanDerWaalsContact SG-O 3.34Å; D660-S662 VanDerWaalsContact C-N 3.25Å; D660-S662 PolarHBondContact O-N 2.81Å; D660-N663 HydrophobicContact CB-CB 4.42Å; D660-N663 WeakPolarHBondContact O-CB 3.28Å; D660-N663 PolarHBondContact O-N 3.2Å; D660-L664 PolarHBondContact O-N 3.08Å; D660-L664 VanDerWaalsContact O-N 3.15Å
661	Q	77	Confident	76.7	Confident	117 Å²	117	74.5 Å²	74.5	55%	0.547	38%	0.384	S	S	.	.	H	α-helix	trans	-59.3	-32.1	-178.3	-166.6	-177.4	17.4	0	0	113.5	Y649 N663 L664 K665	Y649-Q661 HydrophobicContact CD1-CB 4.01Å; Y649-Q661 HydrophobicContact CD1-CG 4.25Å; Y649-Q661 HydrophobicContact CE1-CB 3.83Å; Y649-Q661 HydrophobicContact CE1-CG 4.2Å; Y649-Q661 HydrophobicContact CE2-CB 4.39Å; Y649-Q661 HydrophobicContact CG-CB 4.38Å; Q661-N663 VanDerWaalsContact C-N 3.33Å; Q661-L664 WeakPolarHBondContact O-CB 3.34Å; Q661-L664 PolarHBondContact O-N 3.35Å; Q661-K665 PolarHBondContact O-N 2.81Å
662	S	78.7	Confident	76.4	Confident	76 Å²	76	75.4 Å²	75.4	53%	0.531	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-41.1	174.8	-56.1	0	0	0	0	111.7	D660 L664 K665 T666	D660-S662 VanDerWaalsContact C-N 3.25Å; D660-S662 PolarHBondContact O-N 2.81Å; S662-L664 VanDerWaalsContact C-N 3.32Å; S662-K665 PolarHBondContact O-N 2.98Å; S662-T666 PolarHBondContact O-N 2.97Å; S662-T666 PolarHBondContact O-OG1 2.63Å
663	N	80.3	Confident	76.1	Confident	87 Å²	87	72 Å²	72	47%	0.465	37%	0.372	S	S	.	.	H	α-helix	trans	-70.5	-33	178.8	-63.8	-10	0	0	0	110.7	C658 D660 Q661 T666 H667	C658-N663 HydrophobicContact CB-CB 4.5Å; D660-N663 HydrophobicContact CB-CB 4.42Å; D660-N663 WeakPolarHBondContact O-CB 3.28Å; D660-N663 PolarHBondContact O-N 3.2Å; Q661-N663 VanDerWaalsContact C-N 3.33Å; N663-T666 WeakPolarHBondContact CA-OG1 3.42Å; N663-T666 PolarHBondContact O-N 3.14Å; N663-T666 PolarHBondContact O-OG1 3.06Å; N663-H667 VanDerWaalsContact O-CB 3.28Å; N663-H667 WeakPolarHBondContact O-CB 3.29Å; N663-H667 PolarHBondContact O-N 3.36Å
664	L	80.3	Confident	75.8	Confident	21 Å²	21	71 Å²	71	11%	0.11	38%	0.379	C	S	.	.	H	α-helix	trans	-63.1	-47.8	170.1	-173.9	62.2	0	0	0	111.6	Q650 C651 C658 D660 Q661 S662 T666 H667 I668	Q650-L664 VanDerWaalsContact O-CD2 3.31Å; Q650-L664 WeakPolarHBondContact O-CD2 3.39Å; C651-L664 HydrophobicContact CB-CD1 3.96Å; C658-L664 PolarHBondContact SG-N 2.83Å; D660-L664 PolarHBondContact O-N 3.08Å; D660-L664 VanDerWaalsContact O-N 3.15Å; Q661-L664 WeakPolarHBondContact O-CB 3.34Å; Q661-L664 PolarHBondContact O-N 3.35Å; S662-L664 VanDerWaalsContact C-N 3.32Å; L664-T666 VanDerWaalsContact C-N 3.33Å; L664-T666 PolarHBondContact O-N 3.47Å; L664-H667 PolarHBondContact O-N 3.41Å; L664-I668 HydrophobicContact CD1-CD1 4.07Å; L664-I668 HydrophobicContact CD1-CG1 4.17Å; L664-I668 HydrophobicContact CD2-CD1 4.31Å; L664-I668 HydrophobicContact CG-CD1 3.82Å; L664-I668 HydrophobicContact CG-CG1 4.32Å; L664-I668 WeakPolarHBondContact O-CG1 3.38Å; L664-I668 PolarHBondContact O-N 3.34Å
665	K	77.8	Confident	75.2	Confident	98 Å²	98	73.2 Å²	73.2	43%	0.426	39%	0.387	S	S	.	.	H	α-helix	trans	-60.2	-40.4	177.2	-80.6	-156.5	166.2	-163.8	0	112.2	Q661 S662 K669 E692	Q661-K665 PolarHBondContact O-N 2.81Å; S662-K665 PolarHBondContact O-N 2.98Å; K665-K669 VanDerWaalsContact O-CB 3.3Å; K665-K669 WeakPolarHBondContact O-CB 3.5Å; K665-K669 PolarHBondContact O-N 3.07Å; K665-E692 IonicContact NZ-OE1 3.58Å; K665-E692 PolarHBondContact NZ-OE1 3.3Å; K665-E692 IonicContact NZ-OE2 3.89Å
666	T	81.1	Confident	74.8	Confident	89 Å²	89	64.8 Å²	64.8	55%	0.546	35%	0.348	S	S	.	.	H	α-helix	trans	-69.8	-36.2	175.1	51.6	0	0	0	0	112.8	S662 N663 L664 S670	S662-T666 PolarHBondContact O-N 2.97Å; S662-T666 PolarHBondContact O-OG1 2.63Å; N663-T666 WeakPolarHBondContact CA-OG1 3.42Å; N663-T666 PolarHBondContact O-N 3.14Å; N663-T666 PolarHBondContact O-OG1 3.06Å; L664-T666 VanDerWaalsContact C-N 3.33Å; L664-T666 PolarHBondContact O-N 3.47Å; T666-S670 VanDerWaalsContact O-CB 3.28Å; T666-S670 WeakPolarHBondContact O-CB 3.45Å; T666-S670 PolarHBondContact O-N 2.98Å; T666-S670 PolarHBondContact O-OG 3.49Å
667	H	80.7	Confident	74.7	Confident	23 Å²	23	65.2 Å²	65.2	11%	0.106	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-54.7	174.1	165.5	86.9	0	0	0	110.8	C651 C654 F656 N663 L664 K669 S670 K671 H672	C651-H667 PolarHBondContact SG-NE2 3.16Å; C654-H667 PolarHBondContact SG-NE2 3.42Å; F656-H667 WeakPolarHBondContact CB-CE1 3.47Å; F656-H667 HydrophobicContact CD1-CB 3.95Å; F656-H667 AromaticContact CD1-CD2 3.6Å; F656-H667 AromaticContact CD1-CE1 3.67Å; F656-H667 AromaticContact CD1-CG 3.34Å; F656-H667 AromaticContact CD1-ND1 3.38Å; F656-H667 WeakPolarHBondContact CD1-ND1 3.45Å; F656-H667 AromaticContact CD1-NE2 3.81Å; F656-H667 AromaticContact CD2-ND1 3.97Å; F656-H667 HydrophobicContact CE1-CB 3.71Å; F656-H667 AromaticContact CE1-CG 3.62Å; F656-H667 AromaticContact CE1-ND1 3.76Å; F656-H667 AromaticContact CG-CE1 3.45Å; F656-H667 VanDerWaalsContact CG-CE1 3.45Å; F656-H667 WeakPolarHBondContact CG-CE1 3.4Å; F656-H667 AromaticContact CG-CG 3.95Å; F656-H667 AromaticContact CG-ND1 3.49Å; F656-H667 WeakPolarHBondContact CG-ND1 3.37Å; F656-H667 AromaticContact CG-NE2 3.88Å; F656-H667 HydrophobicContact CZ-CB 4.47Å; N663-H667 VanDerWaalsContact O-CB 3.28Å; N663-H667 WeakPolarHBondContact O-CB 3.29Å; N663-H667 PolarHBondContact O-N 3.36Å; L664-H667 PolarHBondContact O-N 3.41Å; H667-K669 VanDerWaalsContact C-N 3.31Å; H667-K669 PolarHBondContact O-N 3.24Å; H667-S670 PolarHBondContact O-N 3.19Å; H667-S670 VanDerWaalsContact O-N 3.08Å; H667-S670 PolarHBondContact O-OG 2.82Å; H667-K671 WeakPolarHBondContact O-CB 3.38Å; H667-K671 PolarHBondContact O-N 2.78Å; H667-H672 AromaticContact NE2-CD2 3.81Å; H667-H672 AromaticContact NE2-NE2 3.79Å
668	I	77.6	Confident	74.3	Confident	25 Å²	25	62.8 Å²	62.8	13%	0.128	35%	0.353	C	S	.	.	H	α-helix	trans	-55.4	-48.2	178.6	-67	171.5	0	0	0	110	L664 S670 H672 G673 L676	L664-I668 HydrophobicContact CD1-CD1 4.07Å; L664-I668 HydrophobicContact CD1-CG1 4.17Å; L664-I668 HydrophobicContact CD2-CD1 4.31Å; L664-I668 HydrophobicContact CG-CD1 3.82Å; L664-I668 HydrophobicContact CG-CG1 4.32Å; L664-I668 WeakPolarHBondContact O-CG1 3.38Å; L664-I668 PolarHBondContact O-N 3.34Å; I668-S670 VanDerWaalsContact C-N 3.29Å; I668-S670 PolarHBondContact O-N 3.22Å; I668-H672 HydrophobicContact CG2-CB 4.34Å; I668-H672 CarbonylContact O-C 3.59Å; I668-H672 VanDerWaalsContact O-C 3.24Å; I668-H672 VanDerWaalsContact O-CA 3.27Å; I668-H672 WeakPolarHBondContact O-CA 3.42Å; I668-H672 WeakPolarHBondContact O-CB 3.34Å; I668-H672 PolarHBondContact O-N 3.49Å; I668-G673 PolarHBondContact O-N 3.18Å; I668-L676 HydrophobicContact CG2-CD1 4.44Å; I668-L676 HydrophobicContact CG2-CD2 3.78Å; I668-L676 HydrophobicContact CG2-CG 4.31Å
669	K	75.6	Confident	74	Confident	79 Å²	79	68.4 Å²	68.4	34%	0.343	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-22.7	-179.5	-174.2	156.9	-179.3	134.7	0	114.9	K665 H667 A686	K665-K669 VanDerWaalsContact O-CB 3.3Å; K665-K669 WeakPolarHBondContact O-CB 3.5Å; K665-K669 PolarHBondContact O-N 3.07Å; H667-K669 VanDerWaalsContact C-N 3.31Å; H667-K669 PolarHBondContact O-N 3.24Å; K669-A686 PolarHBondContact NZ-O 3.3Å
670	S	73.9	Confident	73.8	Confident	89 Å²	89	68.1 Å²	68.1	62%	0.622	37%	0.372	S	S	*	.	H	α-helix	trans	-103.5	-18.8	-177.9	60.5	0	0	0	0	114.9	T666 H667 I668	T666-S670 VanDerWaalsContact O-CB 3.28Å; T666-S670 WeakPolarHBondContact O-CB 3.45Å; T666-S670 PolarHBondContact O-N 2.98Å; T666-S670 PolarHBondContact O-OG 3.49Å; H667-S670 PolarHBondContact O-N 3.19Å; H667-S670 VanDerWaalsContact O-N 3.08Å; H667-S670 PolarHBondContact O-OG 2.82Å; I668-S670 VanDerWaalsContact C-N 3.29Å; I668-S670 PolarHBondContact O-N 3.22Å
671	K	69.4	Low	73.4	Confident	155 Å²	155	71 Å²	71	67%	0.674	40%	0.395	S	S	*	.	H	α-helix	trans	-110.8	-42.6	177.9	-67.3	-59.6	-170.5	171.9	0	113	H667 G673	H667-K671 WeakPolarHBondContact O-CB 3.38Å; H667-K671 PolarHBondContact O-N 2.78Å; K671-G673 VanDerWaalsContact C-N 3.34Å
672	H	72.9	Confident	72.7	Confident	22 Å²	22	70.7 Å²	70.7	10%	0.102	39%	0.393	C	S	.	.	S	Bend	trans	-100.9	24.7	177.3	-59.6	-70.9	0	0	0	111.8	H653 C654 H667 I668 A674 D675 L676	H653-H672 HydrophobicContact CB-CB 4.35Å; H653-H672 VanDerWaalsContact CB-CE1 3.42Å; H653-H672 WeakPolarHBondContact CB-CE1 3.49Å; H653-H672 VanDerWaalsContact CB-ND1 3.34Å; H653-H672 WeakPolarHBondContact CB-ND1 3.43Å; H653-H672 PolarHBondContact O-CE1 3.49Å; H653-H672 VanDerWaalsContact O-CE1 3.3Å; C654-H672 PolarHBondContact SG-NE2 3.07Å; H667-H672 AromaticContact NE2-CD2 3.81Å; H667-H672 AromaticContact NE2-NE2 3.79Å; I668-H672 HydrophobicContact CG2-CB 4.34Å; I668-H672 CarbonylContact O-C 3.59Å; I668-H672 VanDerWaalsContact O-C 3.24Å; I668-H672 VanDerWaalsContact O-CA 3.27Å; I668-H672 WeakPolarHBondContact O-CA 3.42Å; I668-H672 WeakPolarHBondContact O-CB 3.34Å; I668-H672 PolarHBondContact O-N 3.49Å; H672-A674 PolarHBondContact O-N 2.96Å; H672-D675 HydrophobicContact CB-CB 4.36Å; H672-D675 IonicContact CG-OD2 2.69Å; H672-D675 IonicContact ND1-OD2 3.69Å; H672-D675 PolarHBondContact ND1-OD2 2.61Å; H672-D675 PolarHBondContact O-N 3.39Å; H672-L676 WeakPolarHBondContact O-CG 3.47Å; H672-L676 PolarHBondContact O-N 3.2Å
673	G	65.5	Low	71.9	Confident	30 Å²	30	68.9 Å²	68.9	31%	0.309	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.2	179.6	0	0	0	0	0	114.4	I668 K671 A686	I668-G673 PolarHBondContact O-N 3.18Å; K671-G673 VanDerWaalsContact C-N 3.34Å; G673-A686 WeakPolarHBondContact O-CB 3.41Å
674	A	62.3	Low	70.9	Confident	69 Å²	69	71.6 Å²	71.6	57%	0.57	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-25.8	175.2	0	0	0	0	0	113.8	H672 K679	H672-A674 PolarHBondContact O-N 2.96Å; A674-K679 WeakPolarHBondContact O-CE 3.25Å; A674-K679 PolarHBondContact O-NZ 3.35Å
675	D	63	Low	70	Confident	95 Å²	95	74.9 Å²	74.9	51%	0.508	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-16.3	-173.2	-48.1	-42.8	0	0	0	112.7	H672	H672-D675 HydrophobicContact CB-CB 4.36Å; H672-D675 IonicContact CG-OD2 2.69Å; H672-D675 IonicContact ND1-OD2 3.69Å; H672-D675 PolarHBondContact ND1-OD2 2.61Å; H672-D675 PolarHBondContact O-N 3.39Å
676	L	68.1	Low	69.9	Low	6 Å²	6	70.5 Å²	70.5	3%	0.031	40%	0.4	C	S	.	.			trans	-60.7	123.6	178.2	-76.6	168.6	0	0	0	111.3	I668 H672 F678 K679 A686 A688	I668-L676 HydrophobicContact CG2-CD1 4.44Å; I668-L676 HydrophobicContact CG2-CD2 3.78Å; I668-L676 HydrophobicContact CG2-CG 4.31Å; H672-L676 WeakPolarHBondContact O-CG 3.47Å; H672-L676 PolarHBondContact O-N 3.2Å; L676-F678 PolarHBondContact O-N 3.11Å; L676-K679 WeakPolarHBondContact O-CE 3.45Å; L676-A686 HydrophobicContact CB-CB 3.54Å; L676-A686 HydrophobicContact CD1-CB 4.15Å; L676-A688 HydrophobicContact CD2-CB 3.79Å
677	P	70.7	Confident	69.6	Low	94 Å²	94	67.1 Å²	67.1	61%	0.61	38%	0.377	S	S	*	.	S	Bend	trans	-63.1	-35.7	-171.1	-25.5	34.2	0	0	0	114.5	K679	P677-K679 PolarHBondContact O-N 3.34Å
678	F	71.4	Confident	69.1	Low	78 Å²	78	68.1 Å²	68.1	34%	0.342	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	83.7	-170	-56.6	-74.5	0	0	0	110.9	L676 A686 Y687 A688 D689 A690 L693	L676-F678 PolarHBondContact O-N 3.11Å; F678-A686 CarbonylContact O-C 3.5Å; F678-A686 WeakPolarHBondContact O-CA 3.41Å; F678-Y687 WeakPolarHBondContact CB-O 3.22Å; F678-Y687 PolarHBondContact N-O 3.43Å; F678-Y687 PolarHBondContact O-N 3.1Å; F678-A688 VanDerWaalsContact CD2-O 3.29Å; F678-A688 WeakPolarHBondContact CD2-O 3.41Å; F678-A688 WeakPolarHBondContact CE2-O 3.41Å; F678-D689 VanDerWaalsContact CD2-C 3.47Å; F678-A690 HydrophobicContact CD1-CB 3.88Å; F678-A690 VanDerWaalsContact CD2-N 3.33Å; F678-A690 HydrophobicContact CE1-CB 3.69Å; F678-A690 HydrophobicContact CE2-CB 4.42Å; F678-A690 HydrophobicContact CG-CB 4.33Å; F678-A690 HydrophobicContact CZ-CB 3.98Å; F678-L693 HydrophobicContact CB-CB 3.85Å; F678-L693 HydrophobicContact CB-CD2 3.76Å; F678-L693 HydrophobicContact CB-CG 4.4Å
679	K	73.1	Confident	69	Low	127 Å²	127	70.8 Å²	70.8	55%	0.552	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.3	178.9	-66	170.5	-177.8	173.6	0	110.8	A674 L676 P677 A686	A674-K679 WeakPolarHBondContact O-CE 3.25Å; A674-K679 PolarHBondContact O-NZ 3.35Å; L676-K679 WeakPolarHBondContact O-CE 3.45Å; P677-K679 PolarHBondContact O-N 3.34Å; K679-A686 HydrophobicContact CG-CB 3.84Å
680	C	72.6	Confident	68.9	Low	16 Å²	16	69.4 Å²	69.4	11%	0.108	41%	0.408	C	S	.	.			trans	-80.2	134.3	175.2	-173.8	0	0	0	0	111.5	H682 C683 Q685 L693 H696	C680-H682 VanDerWaalsContact C-N 3.29Å; C680-H682 PolarHBondContact O-N 3.34Å; C680-H682 PolarHBondContact SG-N 2.87Å; C680-H682 VanDerWaalsContact SG-N 3.37Å; C680-C683 WeakPolarHBondContact CB-O 3.35Å; C680-C683 VanDerWaalsContact O-O 3.05Å; C680-Q685 WeakPolarHBondContact CB-O 3.44Å; C680-Q685 PolarHBondContact N-O 3.25Å; C680-L693 HydrophobicContact CB-CD1 3.71Å; C680-H696 VanDerWaalsContact SG-CD2 3.53Å; C680-H696 PolarHBondContact SG-NE2 2.82Å
681	S	69.4	Low	69	Low	96 Å²	96	75.6 Å²	75.6	67%	0.671	42%	0.417	S	S	*	.	S	Bend	trans	-69.6	-24.7	173.9	48.1	0	0	0	0	113.4
682	H	62.2	Low	69.2	Low	109 Å²	109	70.6 Å²	70.6	51%	0.505	40%	0.397	S	S	.	.	S	Bend	trans	-102.8	-10.2	-173.2	-59.9	-67	0	0	0	114.4	C680 V700 Q701	C680-H682 VanDerWaalsContact C-N 3.29Å; C680-H682 PolarHBondContact O-N 3.34Å; C680-H682 PolarHBondContact SG-N 2.87Å; C680-H682 VanDerWaalsContact SG-N 3.37Å; H682-V700 HydrophobicContact CB-CG1 4.05Å; H682-Q701 PolarHBondContact NE2-NE2 2.96Å
683	C	63	Low	69.4	Low	38 Å²	38	70.7 Å²	70.7	26%	0.257	40%	0.397	S	S	.	.	S	Bend	trans	-157.3	158.8	174.7	87.8	0	0	0	0	111.8	C680 Q685 H696	C680-C683 WeakPolarHBondContact CB-O 3.35Å; C680-C683 VanDerWaalsContact O-O 3.05Å; C683-Q685 PolarHBondContact O-N 2.95Å; C683-H696 PolarHBondContact SG-NE2 3.48Å
684	P	58.8	Low	69.7	Low	144 Å²	144	73.7 Å²	73.7	94%	0.935	40%	0.403	S	S	*	.	S	Bend	trans	-75.2	31.7	-176.8	33.4	-38.2	0	0	0	114.1
685	Q	60.6	Low	70.3	Confident	90 Å²	90	77.4 Å²	77.4	42%	0.421	40%	0.403	S	S	.	.			trans	-100.9	132.6	171.7	-63.8	-156.8	18.9	0	0	111.5	C680 C683 Y687	C680-Q685 WeakPolarHBondContact CB-O 3.44Å; C680-Q685 PolarHBondContact N-O 3.25Å; C683-Q685 PolarHBondContact O-N 2.95Å; Q685-Y687 HydrophobicContact CB-CE2 3.79Å; Q685-Y687 PolarHBondContact OE1-OH 2.7Å; Q685-Y687 VanDerWaalsContact OE1-OH 3.07Å
686	A	75.3	Confident	70.8	Confident	7 Å²	7	73.5 Å²	73.5	6%	0.058	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	162.4	169.4	0	0	0	0	0	111.4	K669 G673 L676 F678 K679	K669-A686 PolarHBondContact NZ-O 3.3Å; G673-A686 WeakPolarHBondContact O-CB 3.41Å; L676-A686 HydrophobicContact CB-CB 3.54Å; L676-A686 HydrophobicContact CD1-CB 4.15Å; F678-A686 CarbonylContact O-C 3.5Å; F678-A686 WeakPolarHBondContact O-CA 3.41Å; K679-A686 HydrophobicContact CG-CB 3.84Å
687	Y	75.8	Confident	70.9	Confident	17 Å²	17	74.5 Å²	74.5	7%	0.067	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.1	-171.3	-62.3	-91.5	0	0	0	110.7	F678 Q685 E692 L693 H696	F678-Y687 WeakPolarHBondContact CB-O 3.22Å; F678-Y687 PolarHBondContact N-O 3.43Å; F678-Y687 PolarHBondContact O-N 3.1Å; Q685-Y687 HydrophobicContact CB-CE2 3.79Å; Q685-Y687 PolarHBondContact OE1-OH 2.7Å; Q685-Y687 VanDerWaalsContact OE1-OH 3.07Å; Y687-E692 HydrophobicContact CD1-CB 3.84Å; Y687-E692 HydrophobicContact CG-CB 4.34Å; Y687-L693 HydrophobicContact CD2-CB 4.12Å; Y687-L693 HydrophobicContact CD2-CD1 3.81Å; Y687-L693 HydrophobicContact CE2-CD1 4.19Å; Y687-L693 HydrophobicContact CG-CB 4.27Å; Y687-H696 HydrophobicContact CE1-CB 4.08Å; Y687-H696 HydrophobicContact CE2-CB 4.06Å; Y687-H696 AromaticContact CE2-CD2 3.39Å; Y687-H696 WeakPolarHBondContact CE2-CD2 3.37Å; Y687-H696 AromaticContact CE2-CG 3.77Å; Y687-H696 AromaticContact CZ-CD2 3.6Å; Y687-H696 AromaticContact CZ-CG 3.49Å; Y687-H696 VanDerWaalsContact CZ-CG 3.49Å; Y687-H696 PolarHBondContact OH-CD2 2.8Å; Y687-H696 PolarHBondContact OH-ND1 2.88Å
688	A	69.8	Low	70.9	Confident	45 Å²	45	75.1 Å²	75.1	37%	0.372	38%	0.381	S	S	.	.	S	Bend	trans	-79.3	-32.9	-178	0	0	0	0	0	112.3	L676 F678	L676-A688 HydrophobicContact CD2-CB 3.79Å; F678-A688 VanDerWaalsContact CD2-O 3.29Å; F678-A688 WeakPolarHBondContact CD2-O 3.41Å; F678-A688 WeakPolarHBondContact CE2-O 3.41Å
689	D	75.3	Confident	70.4	Confident	80 Å²	80	75.9 Å²	75.9	43%	0.428	39%	0.387	S	S	.	.	S	Bend	trans	-117.2	139.8	-178.2	-59.1	-54.1	0	0	0	110.9	F678 R691 E692 L693	F678-D689 VanDerWaalsContact CD2-C 3.47Å; D689-R691 PolarHBondContact O-N 3.27Å; D689-R691 VanDerWaalsContact O-N 3.13Å; D689-E692 HydrophobicContact CB-CB 4.38Å; D689-E692 HydrophobicContact CB-CG 4.28Å; D689-E692 PolarHBondContact O-N 2.81Å; D689-L693 PolarHBondContact O-N 3.28Å
690	A	74.2	Confident	69.9	Low	51 Å²	51	73 Å²	73	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-52.9	-33.3	169.3	0	0	0	0	0	112.3	F678 L693 Q694	F678-A690 HydrophobicContact CD1-CB 3.88Å; F678-A690 VanDerWaalsContact CD2-N 3.33Å; F678-A690 HydrophobicContact CE1-CB 3.69Å; F678-A690 HydrophobicContact CE2-CB 4.42Å; F678-A690 HydrophobicContact CG-CB 4.33Å; F678-A690 HydrophobicContact CZ-CB 3.98Å; A690-L693 PolarHBondContact O-N 2.4Å; A690-Q694 WeakPolarHBondContact O-CB 3.48Å; A690-Q694 PolarHBondContact O-N 3.04Å
691	R	76	Confident	69.4	Low	218 Å²	218	78 Å²	78	82%	0.823	40%	0.401	S	S	*	.	H	α-helix	trans	-70.4	-29.6	175.5	-71.7	179.5	63.1	-141.2	-1.1	114	D689 R695	D689-R691 PolarHBondContact O-N 3.27Å; D689-R691 VanDerWaalsContact O-N 3.13Å; R691-R695 WeakPolarHBondContact O-CB 3.27Å; R691-R695 PolarHBondContact O-N 2.79Å
692	E	72.7	Confident	68.6	Low	51 Å²	51	76 Å²	76	24%	0.238	40%	0.396	C	S	.	.	H	α-helix	trans	-77.6	-36.3	173.6	-72.5	-165.5	163.1	0	0	111.4	K665 Y687 D689 H696	K665-E692 IonicContact NZ-OE1 3.58Å; K665-E692 PolarHBondContact NZ-OE1 3.3Å; K665-E692 IonicContact NZ-OE2 3.89Å; Y687-E692 HydrophobicContact CD1-CB 3.84Å; Y687-E692 HydrophobicContact CG-CB 4.34Å; D689-E692 HydrophobicContact CB-CB 4.38Å; D689-E692 HydrophobicContact CB-CG 4.28Å; D689-E692 PolarHBondContact O-N 2.81Å; E692-H696 WeakPolarHBondContact O-CB 3.36Å; E692-H696 PolarHBondContact O-N 3.14Å
693	L	76.7	Confident	68	Low	23 Å²	23	74.4 Å²	74.4	12%	0.12	39%	0.389	C	S	.	.	H	α-helix	trans	-64.1	-50.1	170.2	175.1	62.4	0	0	0	111.4	F678 C680 Y687 D689 A690 R695 H696 I697	F678-L693 HydrophobicContact CB-CB 3.85Å; F678-L693 HydrophobicContact CB-CD2 3.76Å; F678-L693 HydrophobicContact CB-CG 4.4Å; C680-L693 HydrophobicContact CB-CD1 3.71Å; Y687-L693 HydrophobicContact CD2-CB 4.12Å; Y687-L693 HydrophobicContact CD2-CD1 3.81Å; Y687-L693 HydrophobicContact CE2-CD1 4.19Å; Y687-L693 HydrophobicContact CG-CB 4.27Å; D689-L693 PolarHBondContact O-N 3.28Å; A690-L693 PolarHBondContact O-N 2.4Å; L693-R695 PolarHBondContact O-N 3.38Å; L693-H696 CarbonylContact O-C 3.22Å; L693-H696 WeakPolarHBondContact O-CA 3.5Å; L693-H696 WeakPolarHBondContact O-CB 3.32Å; L693-H696 PolarHBondContact O-N 2.89Å; L693-I697 HydrophobicContact CD1-CD1 3.83Å; L693-I697 HydrophobicContact CD1-CG1 3.93Å; L693-I697 HydrophobicContact CD2-CD1 4.2Å; L693-I697 HydrophobicContact CG-CD1 3.76Å; L693-I697 HydrophobicContact CG-CG1 4.24Å; L693-I697 WeakPolarHBondContact O-CG1 3.29Å; L693-I697 PolarHBondContact O-N 3.05Å
694	Q	73.7	Confident	67.4	Low	93 Å²	93	81.9 Å²	81.9	44%	0.435	42%	0.417	S	S	.	.	H	α-helix	trans	-57.6	-48.8	-178.3	179.2	59.8	22.3	0	0	111.1	A690 H696 I697 E698	A690-Q694 WeakPolarHBondContact O-CB 3.48Å; A690-Q694 PolarHBondContact O-N 3.04Å; Q694-H696 PolarHBondContact O-N 2.64Å; Q694-I697 PolarHBondContact O-N 2.86Å; Q694-I697 VanDerWaalsContact O-N 3.12Å; Q694-E698 HydrophobicContact CG-CG 4.46Å; Q694-E698 VanDerWaalsContact CG-OE1 3.32Å; Q694-E698 WeakPolarHBondContact CG-OE1 3.43Å; Q694-E698 PolarHBondContact NE2-OE1 3.08Å; Q694-E698 WeakPolarHBondContact O-CB 3.41Å; Q694-E698 VanDerWaalsContact O-CG 3.29Å; Q694-E698 WeakPolarHBondContact O-CG 3.46Å; Q694-E698 PolarHBondContact O-N 3.23Å
695	R	73.8	Confident	67.4	Low	148 Å²	148	78.1 Å²	78.1	56%	0.558	39%	0.392	S	S	*	.	H	α-helix	trans	-60.1	-30	173.8	-176.3	-179.2	61.1	82.4	2.1	113.2	R691 L693 M699	R691-R695 WeakPolarHBondContact O-CB 3.27Å; R691-R695 PolarHBondContact O-N 2.79Å; L693-R695 PolarHBondContact O-N 3.38Å; R695-M699 WeakPolarHBondContact O-CB 3.28Å; R695-M699 PolarHBondContact O-N 3.05Å; R695-M699 VanDerWaalsContact O-N 3.1Å
696	H	73.6	Confident	67.4	Low	13 Å²	13	77.2 Å²	77.2	6%	0.06	39%	0.387	C	S	.	.	H	α-helix	trans	-75.6	-40.5	174	165	63	0	0	0	112.3	C680 C683 Y687 E692 L693 Q694 M699 V700	C680-H696 VanDerWaalsContact SG-CD2 3.53Å; C680-H696 PolarHBondContact SG-NE2 2.82Å; C683-H696 PolarHBondContact SG-NE2 3.48Å; Y687-H696 HydrophobicContact CE1-CB 4.08Å; Y687-H696 HydrophobicContact CE2-CB 4.06Å; Y687-H696 AromaticContact CE2-CD2 3.39Å; Y687-H696 WeakPolarHBondContact CE2-CD2 3.37Å; Y687-H696 AromaticContact CE2-CG 3.77Å; Y687-H696 AromaticContact CZ-CD2 3.6Å; Y687-H696 AromaticContact CZ-CG 3.49Å; Y687-H696 VanDerWaalsContact CZ-CG 3.49Å; Y687-H696 PolarHBondContact OH-CD2 2.8Å; Y687-H696 PolarHBondContact OH-ND1 2.88Å; E692-H696 WeakPolarHBondContact O-CB 3.36Å; E692-H696 PolarHBondContact O-N 3.14Å; L693-H696 CarbonylContact O-C 3.22Å; L693-H696 WeakPolarHBondContact O-CA 3.5Å; L693-H696 WeakPolarHBondContact O-CB 3.32Å; L693-H696 PolarHBondContact O-N 2.89Å; Q694-H696 PolarHBondContact O-N 2.64Å; H696-M699 WeakPolarHBondContact O-CB 3.47Å; H696-M699 PolarHBondContact O-N 3.28Å; H696-V700 WeakPolarHBondContact CE1-CG2 3.27Å; H696-V700 WeakPolarHBondContact O-CG2 3.41Å; H696-V700 PolarHBondContact O-N 3.34Å
697	I	70.1	Confident	67.2	Low	26 Å²	26	80.1 Å²	80.1	13%	0.133	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-45.1	174	-67	174.7	0	0	0	109.8	L693 Q694 M699 V700 Q701	L693-I697 HydrophobicContact CD1-CD1 3.83Å; L693-I697 HydrophobicContact CD1-CG1 3.93Å; L693-I697 HydrophobicContact CD2-CD1 4.2Å; L693-I697 HydrophobicContact CG-CD1 3.76Å; L693-I697 HydrophobicContact CG-CG1 4.24Å; L693-I697 WeakPolarHBondContact O-CG1 3.29Å; L693-I697 PolarHBondContact O-N 3.05Å; Q694-I697 PolarHBondContact O-N 2.86Å; Q694-I697 VanDerWaalsContact O-N 3.12Å; I697-M699 VanDerWaalsContact C-N 3.26Å; I697-M699 PolarHBondContact O-N 3.33Å; I697-V700 PolarHBondContact O-N 2.87Å; I697-V700 VanDerWaalsContact O-N 3.09Å; I697-Q701 VanDerWaalsContact CG2-CD 3.46Å; I697-Q701 HydrophobicContact CG2-CG 4.08Å; I697-Q701 WeakPolarHBondContact O-CB 3.4Å; I697-Q701 WeakPolarHBondContact O-CG 3.14Å; I697-Q701 PolarHBondContact O-N 3.15Å
698	E	71.4	Confident	67.1	Low	107 Å²	107	79.5 Å²	79.5	50%	0.5	40%	0.398	S	S	.	.	H	α-helix	trans	-59.1	-34.2	172.7	-72.9	165.5	178	0	0	112.5	Q694 G702	Q694-E698 HydrophobicContact CG-CG 4.46Å; Q694-E698 VanDerWaalsContact CG-OE1 3.32Å; Q694-E698 WeakPolarHBondContact CG-OE1 3.43Å; Q694-E698 PolarHBondContact NE2-OE1 3.08Å; Q694-E698 WeakPolarHBondContact O-CB 3.41Å; Q694-E698 VanDerWaalsContact O-CG 3.29Å; Q694-E698 WeakPolarHBondContact O-CG 3.46Å; Q694-E698 PolarHBondContact O-N 3.23Å; E698-G702 WeakPolarHBondContact O-CA 3.33Å; E698-G702 PolarHBondContact O-N 2.67Å
699	M	61.5	Low	67.1	Low	95 Å²	95	82 Å²	82	47%	0.468	41%	0.41	S	S	.	.	H	α-helix	trans	-71.6	-43.3	172.1	-172.1	-176.1	74.2	0	0	111.6	R695 H696 I697 H703	R695-M699 WeakPolarHBondContact O-CB 3.28Å; R695-M699 PolarHBondContact O-N 3.05Å; R695-M699 VanDerWaalsContact O-N 3.1Å; H696-M699 WeakPolarHBondContact O-CB 3.47Å; H696-M699 PolarHBondContact O-N 3.28Å; I697-M699 VanDerWaalsContact C-N 3.26Å; I697-M699 PolarHBondContact O-N 3.33Å; M699-H703 WeakPolarHBondContact O-CB 3.45Å; M699-H703 PolarHBondContact O-CD2 2.9Å; M699-H703 PolarHBondContact O-N 3.34Å
700	V	62.4	Low	66.7	Low	65 Å²	65	83.8 Å²	83.8	39%	0.394	42%	0.416	S	S	.	.	H	α-helix	trans	-71.5	-37	-178	168.8	0	0	0	0	112.8	H682 H696 I697	H682-V700 HydrophobicContact CB-CG1 4.05Å; H696-V700 WeakPolarHBondContact CE1-CG2 3.27Å; H696-V700 WeakPolarHBondContact O-CG2 3.41Å; H696-V700 PolarHBondContact O-N 3.34Å; I697-V700 PolarHBondContact O-N 2.87Å; I697-V700 VanDerWaalsContact O-N 3.09Å
701	Q	61.8	Low	66.8	Low	121 Å²	121	83.5 Å²	83.5	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-94.5	-35.4	-179.3	-63	-179.9	-11.3	0	0	112.6	H682 I697	H682-Q701 PolarHBondContact NE2-NE2 2.96Å; I697-Q701 VanDerWaalsContact CG2-CD 3.46Å; I697-Q701 HydrophobicContact CG2-CG 4.08Å; I697-Q701 WeakPolarHBondContact O-CB 3.4Å; I697-Q701 WeakPolarHBondContact O-CG 3.14Å; I697-Q701 PolarHBondContact O-N 3.15Å
702	G	51.5	Low	66.5	Low	55 Å²	55	81.8 Å²	81.8	57%	0.567	41%	0.411	S	S	*	.	H	α-helix	trans	-80.7	-14	-177.3	0	0	0	0	0	114.5	E698 K704	E698-G702 WeakPolarHBondContact O-CA 3.33Å; E698-G702 PolarHBondContact O-N 2.67Å; G702-K704 PolarHBondContact O-N 2.85Å
703	H	51.3	Low	66.2	Low	75 Å²	75	83.4 Å²	83.4	35%	0.347	42%	0.419	S	S	.	.			trans	-68	84.5	159.8	-80	-50.1	0	0	0	109.9	M699 T705 T716	M699-H703 WeakPolarHBondContact O-CB 3.45Å; M699-H703 PolarHBondContact O-CD2 2.9Å; M699-H703 PolarHBondContact O-N 3.34Å; H703-T705 VanDerWaalsContact C-N 3.34Å; H703-T705 PolarHBondContact O-N 3.33Å; H703-T716 PolarHBondContact CD2-O 3.47Å; H703-T716 PolarHBondContact CE1-O 3.04Å; H703-T716 PolarHBondContact ND1-O 2.95Å; H703-T716 PolarHBondContact NE2-O 3.42Å
704	K	48.7	Very low	66	Low	195 Å²	195	88.4 Å²	88.4	85%	0.848	44%	0.439	S	S	*	.			trans	-46.9	105	152.5	-74.6	-174.7	176.8	-177.5	0	106.6	G702 H706	G702-K704 PolarHBondContact O-N 2.85Å; K704-H706 PolarHBondContact O-N 3.24Å
705	T	58.7	Low	65.9	Low	65 Å²	65	84.3 Å²	84.3	40%	0.399	42%	0.421	S	S	.	.			trans	-58.3	128	-165.7	56.9	0	0	0	0	110	H703 Q707 K714	H703-T705 VanDerWaalsContact C-N 3.34Å; H703-T705 PolarHBondContact O-N 3.33Å; T705-Q707 VanDerWaalsContact C-N 3.31Å; T705-Q707 PolarHBondContact O-N 3.49Å; T705-K714 HydrophobicContact CG2-CB 4.15Å; T705-K714 HydrophobicContact CG2-CD 4.27Å; T705-K714 HydrophobicContact CG2-CG 4.48Å
706	H	61.6	Low	65.4	Low	72 Å²	72	81.7 Å²	81.7	33%	0.333	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	96.6	173.8	-72.7	-72.7	0	0	0	107.5	K704 S715 S718 L721	K704-H706 PolarHBondContact O-N 3.24Å; H706-S715 WeakPolarHBondContact CB-OG 3.47Å; H706-S715 PolarHBondContact N-O 2.94Å; H706-S715 PolarHBondContact O-N 3.03Å; H706-S715 PolarHBondContact O-OG 3.3Å; H706-S718 PolarHBondContact CD2-N 3.22Å; H706-L721 HydrophobicContact CB-CB 3.82Å; H706-L721 HydrophobicContact CB-CD2 3.76Å; H706-L721 HydrophobicContact CB-CG 4.31Å
707	Q	71.7	Confident	65.3	Low	68 Å²	68	84.3 Å²	84.3	32%	0.318	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.7	-178	-176.5	64.4	60.9	0	0	110.1	T705 C711 E712 H713 L721	T705-Q707 VanDerWaalsContact C-N 3.31Å; T705-Q707 PolarHBondContact O-N 3.49Å; Q707-C711 PolarHBondContact NE2-O 3.38Å; Q707-E712 VanDerWaalsContact NE2-CA 3.35Å; Q707-E712 PolarHBondContact NE2-O 3.06Å; Q707-H713 PolarHBondContact NE2-O 2.81Å; Q707-L721 VanDerWaalsContact O-CD2 3.27Å; Q707-L721 WeakPolarHBondContact O-CD2 3.48Å
708	C	73.5	Confident	65.4	Low	4 Å²	4	85.5 Å²	85.5	3%	0.027	45%	0.447	C	S	.	.			trans	-69.3	127.7	168.1	-170.4	0	0	0	0	110.6	H710 C711 H713 L721 H724 H729	C708-H710 PolarHBondContact O-N 3.01Å; C708-H710 VanDerWaalsContact O-N 3.17Å; C708-H710 PolarHBondContact SG-N 3.3Å; C708-H710 VanDerWaalsContact SG-N 3.4Å; C708-C711 WeakPolarHBondContact CB-O 3.21Å; C708-H713 HydrophobicContact CB-CB 4.47Å; C708-H713 PolarHBondContact N-O 3.45Å; C708-L721 HydrophobicContact CB-CD1 4.01Å; C708-H724 WeakPolarHBondContact CB-NE2 3.31Å; C708-H724 PolarHBondContact SG-NE2 3.07Å; C708-H729 VanDerWaalsContact SG-CD2 3.5Å; C708-H729 PolarHBondContact SG-NE2 3.27Å; C708-H729 VanDerWaalsContact SG-NE2 3.39Å
709	P	70	Confident	65.6	Low	97 Å²	97	83.6 Å²	83.6	63%	0.63	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.4	173	29.1	-34.4	0	0	0	112.8	I725	P709-I725 HydrophobicContact CG-CD1 4.29Å
710	H	67.1	Low	66.3	Low	118 Å²	118	81.3 Å²	81.3	55%	0.546	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-0.9	-177.1	-50.9	-57.5	0	0	0	114.1	C708 H729	C708-H710 PolarHBondContact O-N 3.01Å; C708-H710 VanDerWaalsContact O-N 3.17Å; C708-H710 PolarHBondContact SG-N 3.3Å; C708-H710 VanDerWaalsContact SG-N 3.4Å; H710-H729 HydrophobicContact CB-CB 4.38Å; H710-H729 VanDerWaalsContact CB-CE1 3.48Å; H710-H729 WeakPolarHBondContact CB-CE1 3.45Å; H710-H729 VanDerWaalsContact CB-ND1 3.31Å; H710-H729 WeakPolarHBondContact CB-ND1 3.4Å; H710-H729 PolarHBondContact O-CE1 3Å; H710-H729 VanDerWaalsContact O-CE1 3.24Å
711	C	74.3	Confident	67	Low	44 Å²	44	79.2 Å²	79.2	30%	0.297	42%	0.422	S	S	.	.	S	Bend	trans	-166.6	174	169.6	70.8	0	0	0	0	112.7	Q707 C708 H713 H724 H729	Q707-C711 PolarHBondContact NE2-O 3.38Å; C708-C711 WeakPolarHBondContact CB-O 3.21Å; C711-H713 PolarHBondContact O-N 3.15Å; C711-H724 PolarHBondContact SG-CE1 3.44Å; C711-H724 PolarHBondContact SG-NE2 3.45Å; C711-H729 PolarHBondContact SG-NE2 3.31Å
712	E	71.3	Confident	67.6	Low	182 Å²	182	80.2 Å²	80.2	85%	0.85	42%	0.424	S	S	*	.	S	Bend	trans	-69.3	-2.8	-178	-58.8	-172.1	156.2	0	0	115.1	Q707 K714	Q707-E712 VanDerWaalsContact NE2-CA 3.35Å; Q707-E712 PolarHBondContact NE2-O 3.06Å; E712-K714 PolarHBondContact O-N 2.88Å; E712-K714 VanDerWaalsContact O-N 3.13Å
713	H	65.8	Low	68.8	Low	86 Å²	86	81.8 Å²	81.8	40%	0.398	41%	0.413	S	S	.	.			trans	-61.7	117.3	-178.1	-171.1	67.1	0	0	0	113.1	Q707 C708 C711 H724	Q707-H713 PolarHBondContact NE2-O 2.81Å; C708-H713 HydrophobicContact CB-CB 4.47Å; C708-H713 PolarHBondContact N-O 3.45Å; C711-H713 PolarHBondContact O-N 3.15Å; H713-H724 AromaticContact CD2-CG 3.49Å; H713-H724 VanDerWaalsContact CD2-CG 3.49Å; H713-H724 AromaticContact CD2-ND1 3.41Å; H713-H724 PolarHBondContact CD2-ND1 3.36Å; H713-H724 AromaticContact CG-ND1 3.66Å
714	K	73.3	Confident	70.1	Confident	127 Å²	127	79.9 Å²	79.9	55%	0.552	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.6	173.8	-70.4	177.6	-167.1	-62	0	109.8	T705 E712	T705-K714 HydrophobicContact CG2-CB 4.15Å; T705-K714 HydrophobicContact CG2-CD 4.27Å; T705-K714 HydrophobicContact CG2-CG 4.48Å; E712-K714 PolarHBondContact O-N 2.88Å; E712-K714 VanDerWaalsContact O-N 3.13Å
715	S	70.6	Confident	71.5	Confident	8 Å²	8	72.3 Å²	72.3	6%	0.056	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	151.6	176.1	67.4	0	0	0	0	112	H706 N717 L721	H706-S715 WeakPolarHBondContact CB-OG 3.47Å; H706-S715 PolarHBondContact N-O 2.94Å; H706-S715 PolarHBondContact O-N 3.03Å; H706-S715 PolarHBondContact O-OG 3.3Å; S715-N717 VanDerWaalsContact C-N 3.34Å; S715-N717 PolarHBondContact OG-O 3.02Å; S715-L721 WeakPolarHBondContact OG-CA 3.25Å; S715-L721 WeakPolarHBondContact OG-CB 3.46Å; S715-L721 PolarHBondContact OG-N 2.83Å
716	T	64.5	Low	72.3	Confident	93 Å²	93	71.3 Å²	71.3	57%	0.571	36%	0.364	S	S	*	.	S	Bend	trans	-82.3	-8.9	-179.2	48	0	0	0	0	113.6	H703	H703-T716 PolarHBondContact CD2-O 3.47Å; H703-T716 PolarHBondContact CE1-O 3.04Å; H703-T716 PolarHBondContact ND1-O 2.95Å; H703-T716 PolarHBondContact NE2-O 3.42Å
717	N	71.2	Confident	72.9	Confident	67 Å²	67	70.1 Å²	70.1	36%	0.358	36%	0.364	S	S	.	.	S	Bend	trans	-148.7	138.1	-175.3	-176.7	-4.7	0	0	0	110.4	S715 S719 D720 L721	S715-N717 VanDerWaalsContact C-N 3.34Å; S715-N717 PolarHBondContact OG-O 3.02Å; N717-S719 PolarHBondContact O-N 3.44Å; N717-S719 PolarHBondContact OD1-N 2.76Å; N717-D720 HydrophobicContact CB-CB 4.42Å; N717-D720 WeakPolarHBondContact O-CA 3.34Å; N717-D720 WeakPolarHBondContact O-CB 3.33Å; N717-D720 PolarHBondContact O-N 2.96Å; N717-L721 PolarHBondContact O-N 3.27Å
718	S	72.3	Confident	72.7	Confident	51 Å²	51	70.2 Å²	70.2	36%	0.357	37%	0.369	S	S	.	.	H	α-helix	trans	-59.1	-29.7	179.2	61.9	0	0	0	0	113.2	H706 D720 L721 K722	H706-S718 PolarHBondContact CD2-N 3.22Å; S718-D720 VanDerWaalsContact C-N 3.32Å; S718-L721 PolarHBondContact O-N 3.44Å; S718-K722 WeakPolarHBondContact O-CG 3.43Å; S718-K722 PolarHBondContact O-N 2.9Å
719	S	75.4	Confident	72.7	Confident	68 Å²	68	73.1 Å²	73.1	48%	0.476	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-33	173.7	-61.5	0	0	0	0	112.6	N717 R723	N717-S719 PolarHBondContact O-N 3.44Å; N717-S719 PolarHBondContact OD1-N 2.76Å; S719-R723 WeakPolarHBondContact O-CB 3.49Å; S719-R723 PolarHBondContact O-N 3.06Å
720	D	75.6	Confident	72.9	Confident	46 Å²	46	72.3 Å²	72.3	25%	0.246	38%	0.376	C	S	.	.	H	α-helix	trans	-80.6	-33.7	177.1	-64.8	-37.2	0	0	0	110.8	N717 S718 R723 H724	N717-D720 HydrophobicContact CB-CB 4.42Å; N717-D720 WeakPolarHBondContact O-CA 3.34Å; N717-D720 WeakPolarHBondContact O-CB 3.33Å; N717-D720 PolarHBondContact O-N 2.96Å; S718-D720 VanDerWaalsContact C-N 3.32Å; D720-R723 PolarHBondContact O-N 3Å; D720-R723 IonicContact OD1-CZ 2.77Å; D720-R723 IonicContact OD1-NE 2.76Å; D720-R723 IonicContact OD1-NH2 3.69Å; D720-R723 PolarHBondContact OD1-NH2 3.23Å; D720-H724 WeakPolarHBondContact O-CB 3.15Å; D720-H724 PolarHBondContact O-N 2.94Å
721	L	77.1	Confident	72.9	Confident	21 Å²	21	73.7 Å²	73.7	11%	0.11	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-51.3	168.2	-176	57.9	0	0	0	112.2	H706 Q707 C708 S715 N717 S718 R723 H724 I725	H706-L721 HydrophobicContact CB-CB 3.82Å; H706-L721 HydrophobicContact CB-CD2 3.76Å; H706-L721 HydrophobicContact CB-CG 4.31Å; Q707-L721 VanDerWaalsContact O-CD2 3.27Å; Q707-L721 WeakPolarHBondContact O-CD2 3.48Å; C708-L721 HydrophobicContact CB-CD1 4.01Å; S715-L721 WeakPolarHBondContact OG-CA 3.25Å; S715-L721 WeakPolarHBondContact OG-CB 3.46Å; S715-L721 PolarHBondContact OG-N 2.83Å; N717-L721 PolarHBondContact O-N 3.27Å; S718-L721 PolarHBondContact O-N 3.44Å; L721-R723 VanDerWaalsContact C-N 3.26Å; L721-R723 PolarHBondContact O-N 3.01Å; L721-H724 WeakPolarHBondContact O-CB 3.28Å; L721-H724 PolarHBondContact O-N 3.17Å; L721-I725 HydrophobicContact CD1-CD1 4.05Å; L721-I725 HydrophobicContact CD1-CG1 4.13Å; L721-I725 HydrophobicContact CD2-CD1 4.17Å; L721-I725 HydrophobicContact CG-CD1 3.76Å; L721-I725 HydrophobicContact CG-CG1 4.28Å; L721-I725 WeakPolarHBondContact O-CG1 3.45Å; L721-I725 PolarHBondContact O-N 3.06Å
722	K	74.1	Confident	72.6	Confident	142 Å²	142	76.8 Å²	76.8	62%	0.617	39%	0.393	S	S	*	.	H	α-helix	trans	-57.1	-43.9	179.5	-76.1	-178.6	177.1	-170.4	0	110.6	S718 H724 I725 I726	S718-K722 WeakPolarHBondContact O-CG 3.43Å; S718-K722 PolarHBondContact O-N 2.9Å; K722-H724 PolarHBondContact O-N 3.22Å; K722-I725 PolarHBondContact O-N 2.92Å; K722-I726 WeakPolarHBondContact O-CB 3.35Å; K722-I726 WeakPolarHBondContact O-CD1 3.47Å; K722-I726 WeakPolarHBondContact O-CG1 3.43Å; K722-I726 PolarHBondContact O-N 3.13Å
723	R	76.5	Confident	72.7	Confident	88 Å²	88	70.7 Å²	70.7	33%	0.332	36%	0.364	S	S	.	.	H	α-helix	trans	-62	-39.1	174.5	178.3	162.6	55.6	141.3	0.7	113.2	S719 D720 L721 S727 H745	S719-R723 WeakPolarHBondContact O-CB 3.49Å; S719-R723 PolarHBondContact O-N 3.06Å; D720-R723 PolarHBondContact O-N 3Å; D720-R723 IonicContact OD1-CZ 2.77Å; D720-R723 IonicContact OD1-NE 2.76Å; D720-R723 IonicContact OD1-NH2 3.69Å; D720-R723 PolarHBondContact OD1-NH2 3.23Å; L721-R723 VanDerWaalsContact C-N 3.26Å; L721-R723 PolarHBondContact O-N 3.01Å; R723-S727 VanDerWaalsContact O-CB 3.22Å; R723-S727 WeakPolarHBondContact O-CB 3.36Å; R723-S727 PolarHBondContact O-N 3.26Å; R723-S727 PolarHBondContact O-OG 3.32Å; R723-S727 VanDerWaalsContact O-OG 3.08Å; R723-H745 HydrophobicContact CG-CB 4.15Å
724	H	79.9	Confident	73.1	Confident	36 Å²	36	70.4 Å²	70.4	17%	0.167	37%	0.37	C	S	.	.	H	α-helix	trans	-65.8	-46.4	173.9	169.6	85.1	0	0	0	112.5	C708 C711 H713 D720 L721 K722 I726 S727 V728 H729	C708-H724 WeakPolarHBondContact CB-NE2 3.31Å; C708-H724 PolarHBondContact SG-NE2 3.07Å; C711-H724 PolarHBondContact SG-CE1 3.44Å; C711-H724 PolarHBondContact SG-NE2 3.45Å; H713-H724 AromaticContact CD2-CG 3.49Å; H713-H724 VanDerWaalsContact CD2-CG 3.49Å; H713-H724 AromaticContact CD2-ND1 3.41Å; H713-H724 PolarHBondContact CD2-ND1 3.36Å; H713-H724 AromaticContact CG-ND1 3.66Å; D720-H724 WeakPolarHBondContact O-CB 3.15Å; D720-H724 PolarHBondContact O-N 2.94Å; L721-H724 WeakPolarHBondContact O-CB 3.28Å; L721-H724 PolarHBondContact O-N 3.17Å; K722-H724 PolarHBondContact O-N 3.22Å; H724-I726 VanDerWaalsContact C-N 3.3Å; H724-I726 PolarHBondContact O-N 2.79Å; H724-S727 PolarHBondContact O-N 3.28Å; H724-S727 PolarHBondContact O-OG 3.41Å; H724-V728 VanDerWaalsContact CE1-CG2 3.41Å; H724-V728 WeakPolarHBondContact CE1-CG2 3.43Å; H724-V728 WeakPolarHBondContact O-CB 3.25Å; H724-V728 PolarHBondContact O-N 3.24Å; H724-H729 AromaticContact NE2-CD2 2.92Å; H724-H729 PolarHBondContact NE2-CD2 3.06Å; H724-H729 AromaticContact NE2-CE1 3.58Å; H724-H729 AromaticContact NE2-NE2 2.32Å; H724-H729 PolarHBondContact NE2-NE2 3.05Å
725	I	77.1	Confident	73.1	Confident	35 Å²	35	67.4 Å²	67.4	18%	0.179	36%	0.358	C	S	.	.	I	π-helix	trans	-59	-46.1	176.8	-68.3	168.7	0	0	0	109.9	P709 L721 K722 H729 T730	P709-I725 HydrophobicContact CG-CD1 4.29Å; L721-I725 HydrophobicContact CD1-CD1 4.05Å; L721-I725 HydrophobicContact CD1-CG1 4.13Å; L721-I725 HydrophobicContact CD2-CD1 4.17Å; L721-I725 HydrophobicContact CG-CD1 3.76Å; L721-I725 HydrophobicContact CG-CG1 4.28Å; L721-I725 WeakPolarHBondContact O-CG1 3.45Å; L721-I725 PolarHBondContact O-N 3.06Å; K722-I725 PolarHBondContact O-N 2.92Å; I725-H729 WeakPolarHBondContact O-CA 3.48Å; I725-H729 WeakPolarHBondContact O-CB 3.39Å; I725-H729 PolarHBondContact O-N 2.89Å; I725-T730 HydrophobicContact CG2-CG2 4.42Å; I725-T730 PolarHBondContact O-N 3.27Å
726	I	75.6	Confident	73.5	Confident	45 Å²	45	72 Å²	72	23%	0.231	38%	0.379	C	S	.	.	I	π-helix	trans	-67.6	-39.8	179.5	-64.4	164.1	0	0	0	111.9	K722 H724 T730 K731 D732 H745	K722-I726 WeakPolarHBondContact O-CB 3.35Å; K722-I726 WeakPolarHBondContact O-CD1 3.47Å; K722-I726 WeakPolarHBondContact O-CG1 3.43Å; K722-I726 PolarHBondContact O-N 3.13Å; H724-I726 VanDerWaalsContact C-N 3.3Å; H724-I726 PolarHBondContact O-N 2.79Å; I726-T730 WeakPolarHBondContact CA-OG1 3.42Å; I726-K731 WeakPolarHBondContact O-CA 3.44Å; I726-K731 PolarHBondContact O-N 2.74Å; I726-D732 WeakPolarHBondContact CG2-O 3.41Å; I726-H745 WeakPolarHBondContact CG2-ND1 3.43Å
727	S	73.2	Confident	74.2	Confident	46 Å²	46	67.8 Å²	67.8	32%	0.322	35%	0.353	S	S	.	.	I	π-helix	trans	-78.1	-34.1	-176.4	71	0	0	0	0	114.5	R723 H724 H745	R723-S727 VanDerWaalsContact O-CB 3.22Å; R723-S727 WeakPolarHBondContact O-CB 3.36Å; R723-S727 PolarHBondContact O-N 3.26Å; R723-S727 PolarHBondContact O-OG 3.32Å; R723-S727 VanDerWaalsContact O-OG 3.08Å; H724-S727 PolarHBondContact O-N 3.28Å; H724-S727 PolarHBondContact O-OG 3.41Å; S727-H745 VanDerWaalsContact CB-CE1 3.49Å; S727-H745 WeakPolarHBondContact CB-CE1 3.47Å; S727-H745 VanDerWaalsContact CB-NE2 3.29Å; S727-H745 WeakPolarHBondContact CB-NE2 3.38Å
728	V	68.9	Low	74.4	Confident	71 Å²	71	72.4 Å²	72.4	43%	0.43	38%	0.378	S	S	.	.	I	π-helix	trans	-101.2	-39.1	-173.9	-179	0	0	0	0	112.3	H724	H724-V728 VanDerWaalsContact CE1-CG2 3.41Å; H724-V728 WeakPolarHBondContact CE1-CG2 3.43Å; H724-V728 WeakPolarHBondContact O-CB 3.25Å; H724-V728 PolarHBondContact O-N 3.24Å
729	H	74.1	Confident	74.4	Confident	64 Å²	64	74.9 Å²	74.9	30%	0.296	39%	0.39	S	S	.	.	I	π-helix	trans	-106.3	-52.2	-165.8	-61.3	-77.7	0	0	0	113.7	C708 H710 C711 H724 I725	C708-H729 VanDerWaalsContact SG-CD2 3.5Å; C708-H729 PolarHBondContact SG-NE2 3.27Å; C708-H729 VanDerWaalsContact SG-NE2 3.39Å; H710-H729 HydrophobicContact CB-CB 4.38Å; H710-H729 VanDerWaalsContact CB-CE1 3.48Å; H710-H729 WeakPolarHBondContact CB-CE1 3.45Å; H710-H729 VanDerWaalsContact CB-ND1 3.31Å; H710-H729 WeakPolarHBondContact CB-ND1 3.4Å; H710-H729 PolarHBondContact O-CE1 3Å; H710-H729 VanDerWaalsContact O-CE1 3.24Å; C711-H729 PolarHBondContact SG-NE2 3.31Å; H724-H729 AromaticContact NE2-CD2 2.92Å; H724-H729 PolarHBondContact NE2-CD2 3.06Å; H724-H729 AromaticContact NE2-CE1 3.58Å; H724-H729 AromaticContact NE2-NE2 2.32Å; H724-H729 PolarHBondContact NE2-NE2 3.05Å; I725-H729 WeakPolarHBondContact O-CA 3.48Å; I725-H729 WeakPolarHBondContact O-CB 3.39Å; I725-H729 PolarHBondContact O-N 2.89Å
730	T	72.3	Confident	74.2	Confident	81 Å²	81	73.8 Å²	73.8	50%	0.497	38%	0.382	S	S	.	.	I	π-helix	trans	-90.6	-29.6	-179.2	64.8	0	0	0	0	114.1	I725 I726 D732	I725-T730 HydrophobicContact CG2-CG2 4.42Å; I725-T730 PolarHBondContact O-N 3.27Å; I726-T730 WeakPolarHBondContact CA-OG1 3.42Å; T730-D732 PolarHBondContact O-N 3.18Å; T730-D732 VanDerWaalsContact O-N 3.12Å
731	K	67.7	Low	74.1	Confident	146 Å²	146	79.6 Å²	79.6	64%	0.635	41%	0.408	S	S	*	.			trans	56	18.7	-173.2	-57.8	173.2	-175.3	165	0	114.2	I726 F733	I726-K731 WeakPolarHBondContact O-CA 3.44Å; I726-K731 PolarHBondContact O-N 2.74Å; K731-F733 HydrophobicContact CB-CE2 4.2Å; K731-F733 WeakPolarHBondContact O-CD2 3.36Å; K731-F733 VanDerWaalsContact O-CE2 3.24Å; K731-F733 WeakPolarHBondContact O-CE2 3.38Å; K731-F733 PolarHBondContact O-N 2.96Å
732	D	69	Low	73.9	Confident	109 Å²	109	84.4 Å²	84.4	58%	0.583	43%	0.428	S	S	*	.			trans	-89.3	89.8	179.1	177.9	25.1	0	0	0	110.2	I726 T730 P734	I726-D732 WeakPolarHBondContact CG2-O 3.41Å; T730-D732 PolarHBondContact O-N 3.18Å; T730-D732 VanDerWaalsContact O-N 3.12Å; D732-P734 WeakPolarHBondContact O-CD 3.4Å
733	F	73.1	Confident	74	Confident	54 Å²	54	78.5 Å²	78.5	24%	0.237	41%	0.408	C	S	.	.			trans	-84	117	-174.8	-60	-94.1	0	0	0	111.1	K731 H735 Q736 G743 H745	K731-F733 HydrophobicContact CB-CE2 4.2Å; K731-F733 WeakPolarHBondContact O-CD2 3.36Å; K731-F733 VanDerWaalsContact O-CE2 3.24Å; K731-F733 WeakPolarHBondContact O-CE2 3.38Å; K731-F733 PolarHBondContact O-N 2.96Å; F733-H735 PolarHBondContact O-N 3.24Å; F733-Q736 WeakPolarHBondContact O-CG 3.42Å; F733-G743 VanDerWaalsContact CD1-C 3.41Å; F733-G743 WeakPolarHBondContact CD1-O 3.25Å; F733-G743 VanDerWaalsContact CG-CA 3.43Å; F733-H745 AromaticContact CD1-CE1 3.34Å; F733-H745 WeakPolarHBondContact CD1-CE1 3.07Å; F733-H745 AromaticContact CD1-ND1 3.76Å; F733-H745 AromaticContact CD1-NE2 3.81Å; F733-H745 AromaticContact CE1-CE1 3.25Å; F733-H745 WeakPolarHBondContact CE1-CE1 3.34Å; F733-H745 AromaticContact CE1-NE2 3.42Å; F733-H745 WeakPolarHBondContact CE1-NE2 3.46Å
734	P	73.9	Confident	74.1	Confident	81 Å²	81	76.4 Å²	76.4	53%	0.526	40%	0.401	S	S	.	.	S	Bend	trans	-67.6	-10.7	-175.5	-22.4	34.9	0	0	0	115.2	D732	D732-P734 WeakPolarHBondContact O-CD 3.4Å
735	H	73.6	Confident	73.7	Confident	63 Å²	63	77 Å²	77	29%	0.292	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-133	86	-176.4	-56	-50.7	0	0	0	109.5	F733 F744 P747 L750	F733-H735 PolarHBondContact O-N 3.24Å; H735-F744 PolarHBondContact N-O 3.38Å; H735-F744 PolarHBondContact O-N 3.07Å; H735-P747 VanDerWaalsContact CD2-CD 3.48Å; H735-P747 WeakPolarHBondContact CD2-CD 3.34Å; H735-P747 WeakPolarHBondContact NE2-CD 3.03Å; H735-L750 HydrophobicContact CB-CB 4.17Å; H735-L750 HydrophobicContact CB-CD2 3.84Å
736	Q	78.6	Confident	73.7	Confident	106 Å²	106	80.5 Å²	80.5	50%	0.495	42%	0.415	S	S	.	.			trans	-86	162.1	177.4	-55.3	-175.3	16.3	0	0	110.8	F733 K742 L750	F733-Q736 WeakPolarHBondContact O-CG 3.42Å; Q736-K742 CarbonylContact C-O 3.59Å; Q736-K742 WeakPolarHBondContact CA-O 3.38Å; Q736-L750 WeakPolarHBondContact O-CD1 3.39Å; Q736-L750 VanDerWaalsContact O-CD2 3.25Å; Q736-L750 WeakPolarHBondContact O-CD2 3.46Å
737	C	79.6	Confident	73.7	Confident	3 Å²	3	82.2 Å²	82.2	2%	0.02	43%	0.428	C	S	.	.			trans	-109.8	112	-179	-172.2	0	0	0	0	111.4	V739 C740 E741 K742 F744 L750 H757	C737-V739 PolarHBondContact O-N 3.34Å; C737-C740 PolarHBondContact O-N 3.46Å; C737-E741 WeakPolarHBondContact O-CA 3.34Å; C737-E741 PolarHBondContact O-N 3.08Å; C737-K742 WeakPolarHBondContact CB-O 3.29Å; C737-K742 PolarHBondContact N-O 3.44Å; C737-F744 HydrophobicContact CB-CE2 4.33Å; C737-L750 HydrophobicContact CB-CD1 3.5Å; C737-H757 PolarHBondContact SG-CD2 3.07Å
738	D	74.3	Confident	73.9	Confident	165 Å²	165	83.4 Å²	83.4	88%	0.882	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.6	-173.8	-31.6	-55.6	0	0	0	114.8
739	V	72.3	Confident	74.3	Confident	102 Å²	102	83 Å²	83	62%	0.618	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-20.5	-177	-173.9	0	0	0	0	113.2	C737 H757	C737-V739 PolarHBondContact O-N 3.34Å; V739-H757 HydrophobicContact CB-CB 4.3Å; V739-H757 HydrophobicContact CG1-CB 4.07Å; V739-H757 HydrophobicContact CG2-CB 4.33Å
740	C	72.6	Confident	74.6	Confident	46 Å²	46	81.6 Å²	81.6	31%	0.311	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	20.5	179.2	77.5	0	0	0	0	115.7	C737 K742 H753 H757	C737-C740 PolarHBondContact O-N 3.46Å; C740-K742 PolarHBondContact O-N 3.34Å; C740-H753 PolarHBondContact SG-NE2 3.31Å; C740-H757 PolarHBondContact SG-CE1 2.93Å; C740-H757 PolarHBondContact SG-NE2 3.34Å
741	E	72.6	Confident	74.9	Confident	168 Å²	168	83.4 Å²	83.4	79%	0.785	43%	0.426	S	S	*	.			trans	58.3	12.3	173.2	-58.8	174.9	172.1	0	0	115	C737 G743	C737-E741 WeakPolarHBondContact O-CA 3.34Å; C737-E741 PolarHBondContact O-N 3.08Å; E741-G743 PolarHBondContact O-N 3.2Å
742	K	73.4	Confident	75.3	Confident	121 Å²	121	83.4 Å²	83.4	53%	0.526	43%	0.426	S	S	.	.			trans	-74	122	179.3	-75.9	178.4	-171.9	166	0	111.3	Q736 C737 C740 F744	Q736-K742 CarbonylContact C-O 3.59Å; Q736-K742 WeakPolarHBondContact CA-O 3.38Å; C737-K742 WeakPolarHBondContact CB-O 3.29Å; C737-K742 PolarHBondContact N-O 3.44Å; C740-K742 PolarHBondContact O-N 3.34Å; K742-F744 HydrophobicContact CB-CE2 3.76Å; K742-F744 HydrophobicContact CB-CZ 4.08Å; K742-F744 VanDerWaalsContact O-CD2 3.25Å; K742-F744 WeakPolarHBondContact O-CD2 3.49Å; K742-F744 WeakPolarHBondContact O-CE2 3.43Å
743	G	76.6	Confident	75.7	Confident	19 Å²	19	79.6 Å²	79.6	20%	0.196	40%	0.404	C	S	.	.			trans	-80.1	142.1	174.6	0	0	0	0	0	114.4	F733 E741	F733-G743 VanDerWaalsContact CD1-C 3.41Å; F733-G743 WeakPolarHBondContact CD1-O 3.25Å; F733-G743 VanDerWaalsContact CG-CA 3.43Å; E741-G743 PolarHBondContact O-N 3.2Å
744	F	78.6	Confident	75.8	Confident	44 Å²	44	78.6 Å²	78.6	19%	0.193	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-131.8	155.2	175.1	-61.5	-88.9	0	0	0	111.3	H735 C737 K742 E749 L750 H753	H735-F744 PolarHBondContact N-O 3.38Å; H735-F744 PolarHBondContact O-N 3.07Å; C737-F744 HydrophobicContact CB-CE2 4.33Å; K742-F744 HydrophobicContact CB-CE2 3.76Å; K742-F744 HydrophobicContact CB-CZ 4.08Å; K742-F744 VanDerWaalsContact O-CD2 3.25Å; K742-F744 WeakPolarHBondContact O-CD2 3.49Å; K742-F744 WeakPolarHBondContact O-CE2 3.43Å; F744-E749 HydrophobicContact CB-CB 4.16Å; F744-E749 HydrophobicContact CD1-CB 3.95Å; F744-E749 HydrophobicContact CG-CB 4.37Å; F744-L750 HydrophobicContact CB-CB 4.21Å; F744-L750 HydrophobicContact CD2-CB 4.11Å; F744-L750 HydrophobicContact CD2-CD1 3.96Å; F744-L750 HydrophobicContact CE2-CD1 4.32Å; F744-L750 HydrophobicContact CG-CB 4.3Å; F744-H753 HydrophobicContact CE1-CB 4.07Å; F744-H753 HydrophobicContact CE2-CB 3.87Å; F744-H753 AromaticContact CE2-CD2 3.28Å; F744-H753 WeakPolarHBondContact CE2-CD2 3.49Å; F744-H753 AromaticContact CE2-CG 3.75Å; F744-H753 HydrophobicContact CZ-CB 3.51Å; F744-H753 AromaticContact CZ-CD2 3.31Å; F744-H753 WeakPolarHBondContact CZ-CD2 3.33Å; F744-H753 AromaticContact CZ-CG 3.37Å
745	H	70.2	Confident	75.8	Confident	48 Å²	48	78.3 Å²	78.3	22%	0.222	40%	0.398	C	S	.	.	S	Bend	trans	-91.3	-3.5	179.7	-52.6	-67.7	0	0	0	113.6	R723 I726 S727 F733	R723-H745 HydrophobicContact CG-CB 4.15Å; I726-H745 WeakPolarHBondContact CG2-ND1 3.43Å; S727-H745 VanDerWaalsContact CB-CE1 3.49Å; S727-H745 WeakPolarHBondContact CB-CE1 3.47Å; S727-H745 VanDerWaalsContact CB-NE2 3.29Å; S727-H745 WeakPolarHBondContact CB-NE2 3.38Å; F733-H745 AromaticContact CD1-CE1 3.34Å; F733-H745 WeakPolarHBondContact CD1-CE1 3.07Å; F733-H745 AromaticContact CD1-ND1 3.76Å; F733-H745 AromaticContact CD1-NE2 3.81Å; F733-H745 AromaticContact CE1-CE1 3.25Å; F733-H745 WeakPolarHBondContact CE1-CE1 3.34Å; F733-H745 AromaticContact CE1-NE2 3.42Å; F733-H745 WeakPolarHBondContact CE1-NE2 3.46Å
746	R	76.7	Confident	75.5	Confident	109 Å²	109	79.1 Å²	79.1	41%	0.411	41%	0.407	S	S	.	.	S	Bend	trans	-144.2	141.8	-179.6	-63.8	-174	169.4	172.7	-5.5	111.7	S748 E749 L750	R746-S748 PolarHBondContact O-N 3.19Å; R746-E749 HydrophobicContact CB-CB 4.22Å; R746-E749 HydrophobicContact CB-CG 4Å; R746-E749 WeakPolarHBondContact CD-OE1 3.37Å; R746-E749 PolarHBondContact O-N 2.93Å; R746-L750 PolarHBondContact O-N 2.94Å
747	P	76	Confident	75	Confident	80 Å²	80	77.3 Å²	77.3	52%	0.519	40%	0.399	S	S	.	.	H	α-helix	trans	-59	-30.9	172.7	-23.2	34	0	0	0	112.7	H735 E749 K751	H735-P747 VanDerWaalsContact CD2-CD 3.48Å; H735-P747 WeakPolarHBondContact CD2-CD 3.34Å; H735-P747 WeakPolarHBondContact NE2-CD 3.03Å; P747-E749 VanDerWaalsContact C-N 3.32Å; P747-E749 PolarHBondContact O-N 3.22Å; P747-K751 VanDerWaalsContact O-CB 3.22Å; P747-K751 WeakPolarHBondContact O-CB 3.32Å; P747-K751 PolarHBondContact O-N 2.97Å
748	S	77.5	Confident	74.3	Confident	72 Å²	72	86 Å²	86	50%	0.503	44%	0.436	S	S	.	.	H	α-helix	trans	-76.3	-14.8	177.2	56.4	0	0	0	0	114.6	R746 K752	R746-S748 PolarHBondContact O-N 3.19Å; S748-K752 WeakPolarHBondContact O-CD 3.36Å; S748-K752 WeakPolarHBondContact O-CG 3.2Å
749	E	77.4	Confident	73.5	Confident	62 Å²	62	81 Å²	81	29%	0.29	42%	0.424	S	S	.	.	H	α-helix	trans	-88.8	-44.4	171.3	-69.8	164.2	-176	0	0	109.4	F744 R746 P747 K751 K752 H753	F744-E749 HydrophobicContact CB-CB 4.16Å; F744-E749 HydrophobicContact CD1-CB 3.95Å; F744-E749 HydrophobicContact CG-CB 4.37Å; R746-E749 HydrophobicContact CB-CB 4.22Å; R746-E749 HydrophobicContact CB-CG 4Å; R746-E749 WeakPolarHBondContact CD-OE1 3.37Å; R746-E749 PolarHBondContact O-N 2.93Å; P747-E749 VanDerWaalsContact C-N 3.32Å; P747-E749 PolarHBondContact O-N 3.22Å; E749-K751 PolarHBondContact O-N 2.68Å; E749-K752 PolarHBondContact O-N 3.37Å; E749-H753 PolarHBondContact O-N 3.21Å; E749-H753 VanDerWaalsContact O-N 3.1Å
750	L	81	Confident	72.6	Confident	34 Å²	34	79.3 Å²	79.3	18%	0.178	41%	0.411	C	S	.	.	H	α-helix	trans	-56.7	-47.6	169.9	173.3	59.9	0	0	0	112.1	H735 Q736 C737 F744 R746 K752 H753 A754	H735-L750 HydrophobicContact CB-CB 4.17Å; H735-L750 HydrophobicContact CB-CD2 3.84Å; Q736-L750 WeakPolarHBondContact O-CD1 3.39Å; Q736-L750 VanDerWaalsContact O-CD2 3.25Å; Q736-L750 WeakPolarHBondContact O-CD2 3.46Å; C737-L750 HydrophobicContact CB-CD1 3.5Å; F744-L750 HydrophobicContact CB-CB 4.21Å; F744-L750 HydrophobicContact CD2-CB 4.11Å; F744-L750 HydrophobicContact CD2-CD1 3.96Å; F744-L750 HydrophobicContact CE2-CD1 4.32Å; F744-L750 HydrophobicContact CG-CB 4.3Å; R746-L750 PolarHBondContact O-N 2.94Å; L750-K752 PolarHBondContact O-N 3.44Å; L750-H753 CarbonylContact O-C 3.54Å; L750-H753 WeakPolarHBondContact O-CA 3.29Å; L750-H753 WeakPolarHBondContact O-CB 3.39Å; L750-H753 PolarHBondContact O-N 3.18Å; L750-A754 PolarHBondContact O-N 3.43Å
751	K	77.6	Confident	71.7	Confident	119 Å²	119	86 Å²	86	52%	0.517	44%	0.435	S	S	.	.	H	α-helix	trans	-59	-45.1	-179	-174.1	160.8	-174	159.1	0	112.1	D598 P747 E749 H753 A754 E755	D598-K751 IonicContact OD2-NZ 3.69Å; P747-K751 VanDerWaalsContact O-CB 3.22Å; P747-K751 WeakPolarHBondContact O-CB 3.32Å; P747-K751 PolarHBondContact O-N 2.97Å; E749-K751 PolarHBondContact O-N 2.68Å; K751-H753 PolarHBondContact O-N 3.2Å; K751-A754 PolarHBondContact O-N 3.43Å; K751-E755 VanDerWaalsContact O-CG 3.29Å; K751-E755 WeakPolarHBondContact O-CG 3.49Å; K751-E755 PolarHBondContact O-N 2.95Å
752	K	76.2	Confident	71.1	Confident	147 Å²	147	82.2 Å²	82.2	64%	0.639	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-26.6	173.4	-72.5	178.4	179.9	-176	0	113.6	S748 E749 L750	S748-K752 WeakPolarHBondContact O-CD 3.36Å; S748-K752 WeakPolarHBondContact O-CG 3.2Å; E749-K752 PolarHBondContact O-N 3.37Å; L750-K752 PolarHBondContact O-N 3.44Å
753	H	78	Confident	70.4	Confident	28 Å²	28	80.1 Å²	80.1	13%	0.13	42%	0.415	C	S	.	.	H	α-helix	trans	-81.4	-40.1	173.5	-177	45.9	0	0	0	112.5	C740 F744 E749 L750 K751 E755 T756 H757	C740-H753 PolarHBondContact SG-NE2 3.31Å; F744-H753 HydrophobicContact CE1-CB 4.07Å; F744-H753 HydrophobicContact CE2-CB 3.87Å; F744-H753 AromaticContact CE2-CD2 3.28Å; F744-H753 WeakPolarHBondContact CE2-CD2 3.49Å; F744-H753 AromaticContact CE2-CG 3.75Å; F744-H753 HydrophobicContact CZ-CB 3.51Å; F744-H753 AromaticContact CZ-CD2 3.31Å; F744-H753 WeakPolarHBondContact CZ-CD2 3.33Å; F744-H753 AromaticContact CZ-CG 3.37Å; E749-H753 PolarHBondContact O-N 3.21Å; E749-H753 VanDerWaalsContact O-N 3.1Å; L750-H753 CarbonylContact O-C 3.54Å; L750-H753 WeakPolarHBondContact O-CA 3.29Å; L750-H753 WeakPolarHBondContact O-CB 3.39Å; L750-H753 PolarHBondContact O-N 3.18Å; K751-H753 PolarHBondContact O-N 3.2Å; H753-E755 PolarHBondContact O-N 2.81Å; H753-T756 PolarHBondContact ND1-OG1 3.1Å; H753-T756 VanDerWaalsContact ND1-OG1 3.11Å; H753-T756 WeakPolarHBondContact O-CA 3.32Å; H753-T756 WeakPolarHBondContact O-CB 3.39Å; H753-T756 PolarHBondContact O-N 3.09Å; H753-T756 PolarHBondContact O-OG1 3.32Å; H753-H757 AromaticContact CD2-NE2 3.72Å; H753-H757 AromaticContact CE1-CE1 3.92Å; H753-H757 AromaticContact CE1-NE2 3.32Å; H753-H757 PolarHBondContact CE1-NE2 2.81Å; H753-H757 VanDerWaalsContact CE1-NE2 3.32Å; H753-H757 AromaticContact NE2-CD2 3.84Å; H753-H757 AromaticContact NE2-CE1 3.88Å; H753-H757 AromaticContact NE2-NE2 3.01Å; H753-H757 PolarHBondContact NE2-NE2 2.79Å; H753-H757 PolarHBondContact O-N 2.79Å
754	A	74.5	Confident	69.8	Low	33 Å²	33	85 Å²	85	27%	0.273	43%	0.433	S	S	.	.	H	α-helix	trans	-60.3	-34.7	172.4	0	0	0	0	0	111.8	L750 K751 T756 H757 K758	L750-A754 PolarHBondContact O-N 3.43Å; K751-A754 PolarHBondContact O-N 3.43Å; A754-T756 PolarHBondContact O-N 3.24Å; A754-H757 PolarHBondContact O-N 3.12Å; A754-H757 VanDerWaalsContact O-N 3.07Å; A754-K758 PolarHBondContact O-N 3.41Å
755	E	74.5	Confident	69.2	Low	75 Å²	75	83.1 Å²	83.1	35%	0.35	43%	0.425	S	S	.	.	H	α-helix	trans	-59.7	-28.6	168.7	-74.7	163	-163.3	0	0	113.1	K751 H753 N760	K751-E755 VanDerWaalsContact O-CG 3.29Å; K751-E755 WeakPolarHBondContact O-CG 3.49Å; K751-E755 PolarHBondContact O-N 2.95Å; H753-E755 PolarHBondContact O-N 2.81Å; E755-N760 VanDerWaalsContact O-CG 3.26Å; E755-N760 PolarHBondContact O-N 3.31Å; E755-N760 PolarHBondContact O-OD1 2.87Å
756	T	67	Low	69	Low	81 Å²	81	92.4 Å²	92.4	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-75.9	-25.2	172.2	66.2	0	0	0	0	113.6	H753 A754	H753-T756 PolarHBondContact ND1-OG1 3.1Å; H753-T756 VanDerWaalsContact ND1-OG1 3.11Å; H753-T756 WeakPolarHBondContact O-CA 3.32Å; H753-T756 WeakPolarHBondContact O-CB 3.39Å; H753-T756 PolarHBondContact O-N 3.09Å; H753-T756 PolarHBondContact O-OG1 3.32Å; A754-T756 PolarHBondContact O-N 3.24Å
757	H	68.1	Low	68	Low	67 Å²	67	93.1 Å²	93.1	31%	0.31	47%	0.466	S	S	.	.	H	α-helix	trans	-82.1	-37.5	173.6	-66.8	-61.8	0	0	0	112.6	C737 V739 C740 H753 A754 G759	C737-H757 PolarHBondContact SG-CD2 3.07Å; V739-H757 HydrophobicContact CB-CB 4.3Å; V739-H757 HydrophobicContact CG1-CB 4.07Å; V739-H757 HydrophobicContact CG2-CB 4.33Å; C740-H757 PolarHBondContact SG-CE1 2.93Å; C740-H757 PolarHBondContact SG-NE2 3.34Å; H753-H757 AromaticContact CD2-NE2 3.72Å; H753-H757 AromaticContact CE1-CE1 3.92Å; H753-H757 AromaticContact CE1-NE2 3.32Å; H753-H757 PolarHBondContact CE1-NE2 2.81Å; H753-H757 VanDerWaalsContact CE1-NE2 3.32Å; H753-H757 AromaticContact NE2-CD2 3.84Å; H753-H757 AromaticContact NE2-CE1 3.88Å; H753-H757 AromaticContact NE2-NE2 3.01Å; H753-H757 PolarHBondContact NE2-NE2 2.79Å; H753-H757 PolarHBondContact O-N 2.79Å; A754-H757 PolarHBondContact O-N 3.12Å; A754-H757 VanDerWaalsContact O-N 3.07Å; H757-G759 PolarHBondContact O-N 3.04Å
758	K	64.7	Low	67.5	Low	187 Å²	187	91.4 Å²	91.4	81%	0.813	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	15.2	177.7	-70.6	-169	174.2	-174.3	0	114.5	A754	A754-K758 PolarHBondContact O-N 3.41Å
759	G	58.3	Low	66.8	Low	60 Å²	60	95.1 Å²	95.1	62%	0.619	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	54	172.7	0	0	0	0	0	113.5	H757 K761	H757-G759 PolarHBondContact O-N 3.04Å; G759-K761 PolarHBondContact O-N 3.32Å
760	N	52.3	Low	66	Low	66 Å²	66	96.1 Å²	96.1	35%	0.353	47%	0.473	S	S	.	.			trans	-39.8	131.6	178.3	-99.5	2.2	0	0	0	112.9	E755 V762 P773	E755-N760 VanDerWaalsContact O-CG 3.26Å; E755-N760 PolarHBondContact O-N 3.31Å; E755-N760 PolarHBondContact O-OD1 2.87Å; N760-V762 PolarHBondContact O-N 3.22Å; N760-P773 PolarHBondContact ND2-O 2.84Å
761	K	54.1	Low	65.2	Low	186 Å²	186	98.1 Å²	98.1	81%	0.809	48%	0.484	S	S	*	.			trans	-47.4	108.7	177.8	-74.7	-175.8	176.8	-179.3	0	110.2	G759 H763	G759-K761 PolarHBondContact O-N 3.32Å; K761-H763 PolarHBondContact O-N 3.39Å; K761-H763 VanDerWaalsContact O-N 3.1Å
762	V	59.6	Low	64.8	Low	88 Å²	88	92.4 Å²	92.4	53%	0.533	46%	0.459	S	S	.	.			trans	-62.9	114.4	-177.7	-83.8	0	0	0	0	110.6	N760 Q764 N771	N760-V762 PolarHBondContact O-N 3.22Å; V762-Q764 PolarHBondContact O-N 3.05Å; V762-N771 HydrophobicContact CB-CB 3.85Å; V762-N771 HydrophobicContact CG1-CB 3.95Å
763	H	60.4	Low	63.8	Low	77 Å²	77	89 Å²	89	36%	0.356	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	98.5	172.6	-65.4	-72.6	0	0	0	108.3	K761 A772 T775 L778	K761-H763 PolarHBondContact O-N 3.39Å; K761-H763 VanDerWaalsContact O-N 3.1Å; H763-A772 PolarHBondContact N-O 2.83Å; H763-A772 PolarHBondContact O-N 3.01Å; H763-T775 WeakPolarHBondContact NE2-CG2 3.26Å; H763-L778 HydrophobicContact CB-CB 4.17Å; H763-L778 HydrophobicContact CB-CD2 3.76Å
764	Q	63.4	Low	63.3	Low	123 Å²	123	90.4 Å²	90.4	58%	0.575	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	140.5	178.8	-173.9	178	22.1	0	0	111.5	V762 N771 L778	V762-Q764 PolarHBondContact O-N 3.05Å; Q764-N771 WeakPolarHBondContact CA-OD1 3.48Å; Q764-N771 WeakPolarHBondContact CB-OD1 3.33Å; Q764-N771 WeakPolarHBondContact CG-OD1 3.16Å; Q764-L778 WeakPolarHBondContact O-CD2 2.99Å
765	C	66.1	Low	63	Low	4 Å²	4	92.9 Å²	92.9	3%	0.027	47%	0.472	C	S	.	.			trans	-75.5	129.3	170.8	-175.8	0	0	0	0	111.5	H767 C768 F770 L778 H781 H786	C765-H767 PolarHBondContact O-N 3.14Å; C765-H767 VanDerWaalsContact O-N 3.09Å; C765-H767 PolarHBondContact SG-N 3.26Å; C765-H767 VanDerWaalsContact SG-N 3.39Å; C765-C768 WeakPolarHBondContact CB-O 3.35Å; C765-C768 PolarHBondContact O-N 3.26Å; C765-F770 HydrophobicContact CB-CB 4.45Å; C765-F770 PolarHBondContact N-O 3.47Å; C765-L778 HydrophobicContact CB-CD1 3.68Å; C765-H781 WeakPolarHBondContact CB-NE2 3.48Å; C765-H781 VanDerWaalsContact SG-CD2 3.51Å; C765-H781 PolarHBondContact SG-NE2 3.47Å; C765-H786 VanDerWaalsContact SG-CD2 3.58Å
766	R	64.8	Low	62.9	Low	243 Å²	243	95.7 Å²	95.7	92%	0.917	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-5.8	173.2	-79.1	-176.6	164.6	173	-6.1	114.9
767	H	56.8	Low	63.1	Low	124 Å²	124	93.3 Å²	93.3	57%	0.574	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-6.6	-176	-53.8	-71.8	0	0	0	114	C765 H786	C765-H767 PolarHBondContact O-N 3.14Å; C765-H767 VanDerWaalsContact O-N 3.09Å; C765-H767 PolarHBondContact SG-N 3.26Å; C765-H767 VanDerWaalsContact SG-N 3.39Å; H767-H786 HydrophobicContact CB-CB 4.12Å; H767-H786 VanDerWaalsContact CB-CE1 3.5Å; H767-H786 WeakPolarHBondContact CB-CE1 3.44Å; H767-H786 VanDerWaalsContact CB-CG 3.48Å; H767-H786 VanDerWaalsContact CB-ND1 3.29Å; H767-H786 WeakPolarHBondContact CB-ND1 3.06Å; H767-H786 PolarHBondContact O-CE1 2.89Å; H767-H786 VanDerWaalsContact O-CE1 3.31Å
768	C	64.6	Low	63.3	Low	44 Å²	44	91.1 Å²	91.1	30%	0.297	46%	0.459	S	S	.	.	S	Bend	trans	-167	171.7	166	70.4	0	0	0	0	111.8	C765 F770 H781 H786	C765-C768 WeakPolarHBondContact CB-O 3.35Å; C765-C768 PolarHBondContact O-N 3.26Å; C768-F770 PolarHBondContact O-N 2.92Å; C768-H781 PolarHBondContact SG-CE1 2.91Å; C768-H781 PolarHBondContact SG-NE2 2.85Å; C768-H786 PolarHBondContact SG-NE2 3.43Å
769	N	62.5	Low	63.5	Low	150 Å²	150	85 Å²	85	80%	0.802	44%	0.44	S	S	*	.	S	Bend	trans	-72.6	28.3	-178	-58.9	-15	0	0	0	114.8
770	F	61.4	Low	64	Low	82 Å²	82	88.3 Å²	88.3	36%	0.36	43%	0.433	S	S	.	.			trans	-86.1	127.9	174.3	-175.9	-96.9	0	0	0	111	C765 C768 A772 H781	C765-F770 HydrophobicContact CB-CB 4.45Å; C765-F770 PolarHBondContact N-O 3.47Å; C768-F770 PolarHBondContact O-N 2.92Å; F770-A772 HydrophobicContact CE1-CB 4.05Å; F770-H781 WeakPolarHBondContact CB-CE1 3.5Å; F770-H781 WeakPolarHBondContact CB-NE2 3.17Å; F770-H781 HydrophobicContact CD1-CB 3.78Å; F770-H781 AromaticContact CD1-CD2 3.72Å; F770-H781 AromaticContact CD1-CG 3.36Å; F770-H781 AromaticContact CD1-ND1 3.43Å; F770-H781 WeakPolarHBondContact CD1-ND1 3.17Å; F770-H781 HydrophobicContact CE1-CB 3.79Å; F770-H781 AromaticContact CE1-CG 3.86Å; F770-H781 AromaticContact CE1-ND1 3.94Å; F770-H781 AromaticContact CG-CE1 3.67Å; F770-H781 AromaticContact CG-CG 3.91Å; F770-H781 AromaticContact CG-ND1 3.51Å
771	N	63.6	Low	65	Low	76 Å²	76	86.3 Å²	86.3	41%	0.406	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.1	-177.8	-79.3	-9.3	0	0	0	109.8	V762 Q764	V762-N771 HydrophobicContact CB-CB 3.85Å; V762-N771 HydrophobicContact CG1-CB 3.95Å; Q764-N771 WeakPolarHBondContact CA-OD1 3.48Å; Q764-N771 WeakPolarHBondContact CB-OD1 3.33Å; Q764-N771 WeakPolarHBondContact CG-OD1 3.16Å
772	A	69.4	Low	65.7	Low	0 Å²	0	79.4 Å²	79.4	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.4	177.6	0	0	0	0	0	112	H763 F770 D774 T777 L778	H763-A772 PolarHBondContact N-O 2.83Å; H763-A772 PolarHBondContact O-N 3.01Å; F770-A772 HydrophobicContact CE1-CB 4.05Å; A772-D774 PolarHBondContact O-N 3.29Å; A772-T777 HydrophobicContact CB-CG2 4.01Å; A772-L778 HydrophobicContact CB-CB 3.91Å
773	P	54.7	Low	66	Low	74 Å²	74	79.1 Å²	79.1	48%	0.481	39%	0.388	S	S	.	.	S	Bend	trans	-77.1	2.8	174.7	33.9	-37.3	0	0	0	113.7	N760	N760-P773 PolarHBondContact ND2-O 2.84Å
774	D	68.1	Low	66.1	Low	59 Å²	59	77.4 Å²	77.4	32%	0.316	39%	0.385	S	S	.	.	S	Bend	trans	-154.3	137.5	-172.6	149.2	51.9	0	0	0	110.8	A772 F776 T777 L778	A772-D774 PolarHBondContact O-N 3.29Å; D774-F776 VanDerWaalsContact C-N 3.33Å; D774-F776 PolarHBondContact O-N 3.12Å; D774-F776 WeakPolarHBondContact OD1-CB 3.35Å; D774-F776 PolarHBondContact OD1-N 3.18Å; D774-T777 PolarHBondContact O-N 3.06Å; D774-T777 VanDerWaalsContact OD2-CB 3.27Å; D774-T777 WeakPolarHBondContact OD2-CB 3.34Å; D774-T777 PolarHBondContact OD2-N 2.8Å; D774-T777 PolarHBondContact OD2-OG1 3.44Å; D774-L778 PolarHBondContact O-N 3.06Å
775	T	69.1	Low	66	Low	84 Å²	84	76.7 Å²	76.7	52%	0.515	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-34.3	179.7	58.1	0	0	0	0	113.3	H763 L778 S779	H763-T775 WeakPolarHBondContact NE2-CG2 3.26Å; T775-L778 PolarHBondContact O-N 2.85Å; T775-S779 WeakPolarHBondContact O-CB 3.17Å; T775-S779 PolarHBondContact O-N 2.78Å; T775-S779 PolarHBondContact O-OG 3.32Å
776	F	72.1	Confident	65.7	Low	135 Å²	135	79.6 Å²	79.6	59%	0.592	40%	0.398	S	S	*	.	H	α-helix	trans	-69.7	-38.6	176.5	179	-95.3	0	0	0	110.4	D774 S779 R780	D774-F776 VanDerWaalsContact C-N 3.33Å; D774-F776 PolarHBondContact O-N 3.12Å; D774-F776 WeakPolarHBondContact OD1-CB 3.35Å; D774-F776 PolarHBondContact OD1-N 3.18Å; F776-S779 CarbonylContact O-C 3.33Å; F776-S779 PolarHBondContact O-N 2.9Å; F776-R780 WeakPolarHBondContact O-CB 3.28Å; F776-R780 PolarHBondContact O-N 3.31Å
777	T	70.8	Confident	65.4	Low	30 Å²	30	70.6 Å²	70.6	18%	0.184	37%	0.37	C	S	.	.	H	α-helix	trans	-68	-38	174	-63.6	0	0	0	0	112.3	A772 D774 R780 H781	A772-T777 HydrophobicContact CB-CG2 4.01Å; D774-T777 PolarHBondContact O-N 3.06Å; D774-T777 VanDerWaalsContact OD2-CB 3.27Å; D774-T777 WeakPolarHBondContact OD2-CB 3.34Å; D774-T777 PolarHBondContact OD2-N 2.8Å; D774-T777 PolarHBondContact OD2-OG1 3.44Å; T777-R780 CarbonylContact O-C 3.51Å; T777-R780 WeakPolarHBondContact O-CB 3.39Å; T777-R780 PolarHBondContact O-N 2.9Å; T777-R780 PolarHBondContact OG1-NH2 2.94Å; T777-H781 PolarHBondContact O-N 3.42Å
778	L	71.3	Confident	65.4	Low	22 Å²	22	74 Å²	74	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-63.2	-43.2	169.1	179.9	60.2	0	0	0	111.6	H763 Q764 C765 A772 D774 T775 R780 H781 I782	H763-L778 HydrophobicContact CB-CB 4.17Å; H763-L778 HydrophobicContact CB-CD2 3.76Å; Q764-L778 WeakPolarHBondContact O-CD2 2.99Å; C765-L778 HydrophobicContact CB-CD1 3.68Å; A772-L778 HydrophobicContact CB-CB 3.91Å; D774-L778 PolarHBondContact O-N 3.06Å; T775-L778 PolarHBondContact O-N 2.85Å; L778-R780 PolarHBondContact O-N 2.93Å; L778-H781 CarbonylContact O-C 3.59Å; L778-H781 WeakPolarHBondContact O-CA 3.16Å; L778-H781 WeakPolarHBondContact O-CB 3.24Å; L778-H781 PolarHBondContact O-N 3.28Å; L778-I782 HydrophobicContact CD1-CD1 4Å; L778-I782 HydrophobicContact CD1-CG1 4.03Å; L778-I782 HydrophobicContact CD2-CD1 4.15Å; L778-I782 HydrophobicContact CG-CD1 3.78Å; L778-I782 HydrophobicContact CG-CG1 4.24Å; L778-I782 PolarHBondContact O-N 3.08Å
779	S	70.4	Confident	65	Low	57 Å²	57	77.9 Å²	77.9	40%	0.399	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-30.7	176.1	-55.4	0	0	0	0	112.2	T775 F776 H781 L783 R802	T775-S779 WeakPolarHBondContact O-CB 3.17Å; T775-S779 PolarHBondContact O-N 2.78Å; T775-S779 PolarHBondContact O-OG 3.32Å; F776-S779 CarbonylContact O-C 3.33Å; F776-S779 PolarHBondContact O-N 2.9Å; S779-H781 VanDerWaalsContact C-N 3.29Å; S779-L783 PolarHBondContact O-N 3.37Å; S779-R802 PolarHBondContact O-NH1 2.84Å; S779-R802 PolarHBondContact O-NH2 3.48Å
780	R	68.1	Low	64.8	Low	130 Å²	130	71.8 Å²	71.8	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-74.4	-14.1	170.8	-176.5	173.1	53.9	-178.8	-9.2	113.7	F776 T777 L778 S784 R802	F776-R780 WeakPolarHBondContact O-CB 3.28Å; F776-R780 PolarHBondContact O-N 3.31Å; T777-R780 CarbonylContact O-C 3.51Å; T777-R780 WeakPolarHBondContact O-CB 3.39Å; T777-R780 PolarHBondContact O-N 2.9Å; T777-R780 PolarHBondContact OG1-NH2 2.94Å; L778-R780 PolarHBondContact O-N 2.93Å; R780-S784 PolarHBondContact O-OG 3.06Å; R780-R802 PolarHBondContact O-NH2 2.9Å
781	H	74.2	Confident	65.1	Low	25 Å²	25	72.5 Å²	72.5	12%	0.116	38%	0.381	C	S	.	.	H	α-helix	trans	-91	-48.2	169.7	171.1	84.4	0	0	0	112.3	C765 C768 F770 T777 L778 S779 S784 L785 H786	C765-H781 WeakPolarHBondContact CB-NE2 3.48Å; C765-H781 VanDerWaalsContact SG-CD2 3.51Å; C765-H781 PolarHBondContact SG-NE2 3.47Å; C768-H781 PolarHBondContact SG-CE1 2.91Å; C768-H781 PolarHBondContact SG-NE2 2.85Å; F770-H781 WeakPolarHBondContact CB-CE1 3.5Å; F770-H781 WeakPolarHBondContact CB-NE2 3.17Å; F770-H781 HydrophobicContact CD1-CB 3.78Å; F770-H781 AromaticContact CD1-CD2 3.72Å; F770-H781 AromaticContact CD1-CG 3.36Å; F770-H781 AromaticContact CD1-ND1 3.43Å; F770-H781 WeakPolarHBondContact CD1-ND1 3.17Å; F770-H781 HydrophobicContact CE1-CB 3.79Å; F770-H781 AromaticContact CE1-CG 3.86Å; F770-H781 AromaticContact CE1-ND1 3.94Å; F770-H781 AromaticContact CG-CE1 3.67Å; F770-H781 AromaticContact CG-CG 3.91Å; F770-H781 AromaticContact CG-ND1 3.51Å; T777-H781 PolarHBondContact O-N 3.42Å; L778-H781 CarbonylContact O-C 3.59Å; L778-H781 WeakPolarHBondContact O-CA 3.16Å; L778-H781 WeakPolarHBondContact O-CB 3.24Å; L778-H781 PolarHBondContact O-N 3.28Å; S779-H781 VanDerWaalsContact C-N 3.29Å; H781-S784 PolarHBondContact O-N 3.34Å; H781-S784 PolarHBondContact O-OG 3.22Å; H781-L785 VanDerWaalsContact CE1-CD1 3.46Å; H781-L785 WeakPolarHBondContact CE1-CD1 3.49Å; H781-L785 PolarHBondContact O-N 3Å; H781-L785 VanDerWaalsContact O-N 3.15Å; H781-H786 AromaticContact CD2-CD2 3.97Å; H781-H786 AromaticContact NE2-CD2 3.38Å; H781-H786 PolarHBondContact NE2-CD2 2.87Å; H781-H786 AromaticContact NE2-CE1 3.98Å; H781-H786 AromaticContact NE2-NE2 2.79Å; H781-H786 PolarHBondContact NE2-NE2 3.35Å
782	I	68.8	Low	65.1	Low	41 Å²	41	72.5 Å²	72.5	21%	0.21	38%	0.378	C	S	.	.	I	π-helix	trans	-59	-62.9	-175.9	-67.2	171.1	0	0	0	111.5	L778 S784 H786 T787	L778-I782 HydrophobicContact CD1-CD1 4Å; L778-I782 HydrophobicContact CD1-CG1 4.03Å; L778-I782 HydrophobicContact CD2-CD1 4.15Å; L778-I782 HydrophobicContact CG-CD1 3.78Å; L778-I782 HydrophobicContact CG-CG1 4.24Å; L778-I782 PolarHBondContact O-N 3.08Å; I782-S784 PolarHBondContact O-N 2.78Å; I782-H786 WeakPolarHBondContact O-CA 3.4Å; I782-H786 WeakPolarHBondContact O-CB 3.45Å; I782-H786 PolarHBondContact O-N 2.69Å; I782-T787 PolarHBondContact O-N 2.77Å
783	L	65.7	Low	64.8	Low	81 Å²	81	78.5 Å²	78.5	42%	0.424	40%	0.404	S	S	.	.	I	π-helix	trans	-72.7	12.6	-175.6	-63.6	75	0	0	0	114.4	S779 T787 R802	S779-L783 PolarHBondContact O-N 3.37Å; L783-T787 WeakPolarHBondContact CA-OG1 3.22Å; L783-R802 VanDerWaalsContact CA-NH2 3.34Å; L783-R802 VanDerWaalsContact CB-CZ 3.4Å; L783-R802 WeakPolarHBondContact O-CD 3.42Å; L783-R802 PolarHBondContact O-NE 2.75Å
784	S	62.2	Low	65.5	Low	41 Å²	41	75.1 Å²	75.1	29%	0.287	38%	0.381	S	S	.	.	I	π-helix	trans	-124.1	-26.5	-179.2	55.1	0	0	0	0	113.8	R780 H781 I782 R802	R780-S784 PolarHBondContact O-OG 3.06Å; H781-S784 PolarHBondContact O-N 3.34Å; H781-S784 PolarHBondContact O-OG 3.22Å; I782-S784 PolarHBondContact O-N 2.78Å; S784-R802 PolarHBondContact OG-NH2 3.18Å
785	L	60.4	Low	65.1	Low	108 Å²	108	82 Å²	82	57%	0.565	41%	0.409	S	S	*	.	I	π-helix	trans	-114.8	-20.9	175.4	-62.2	179.8	0	0	0	113.1	H781	H781-L785 VanDerWaalsContact CE1-CD1 3.46Å; H781-L785 WeakPolarHBondContact CE1-CD1 3.49Å; H781-L785 PolarHBondContact O-N 3Å; H781-L785 VanDerWaalsContact O-N 3.15Å
786	H	60.4	Low	64.4	Low	66 Å²	66	87.4 Å²	87.4	31%	0.306	42%	0.419	S	S	.	.	I	π-helix	trans	-115.3	-27.9	-174.8	-62.6	-66.9	0	0	0	114.5	C765 H767 C768 H781 I782	C765-H786 VanDerWaalsContact SG-CD2 3.58Å; H767-H786 HydrophobicContact CB-CB 4.12Å; H767-H786 VanDerWaalsContact CB-CE1 3.5Å; H767-H786 WeakPolarHBondContact CB-CE1 3.44Å; H767-H786 VanDerWaalsContact CB-CG 3.48Å; H767-H786 VanDerWaalsContact CB-ND1 3.29Å; H767-H786 WeakPolarHBondContact CB-ND1 3.06Å; H767-H786 PolarHBondContact O-CE1 2.89Å; H767-H786 VanDerWaalsContact O-CE1 3.31Å; C768-H786 PolarHBondContact SG-NE2 3.43Å; H781-H786 AromaticContact CD2-CD2 3.97Å; H781-H786 AromaticContact NE2-CD2 3.38Å; H781-H786 PolarHBondContact NE2-CD2 2.87Å; H781-H786 AromaticContact NE2-CE1 3.98Å; H781-H786 AromaticContact NE2-NE2 2.79Å; H781-H786 PolarHBondContact NE2-NE2 3.35Å; I782-H786 WeakPolarHBondContact O-CA 3.4Å; I782-H786 WeakPolarHBondContact O-CB 3.45Å; I782-H786 PolarHBondContact O-N 2.69Å
787	T	59.7	Low	63.7	Low	54 Å²	54	84 Å²	84	33%	0.331	41%	0.412	S	S	.	.			trans	-93.2	129.2	171.7	-47.3	0	0	0	0	110.1	I782 L783 D789 L790	I782-T787 PolarHBondContact O-N 2.77Å; L783-T787 WeakPolarHBondContact CA-OG1 3.22Å; T787-D789 VanDerWaalsContact C-N 3.33Å; T787-D789 HydrophobicContact CG2-CB 4.37Å; T787-D789 PolarHBondContact O-N 3.26Å; T787-L790 WeakPolarHBondContact O-CD1 3.32Å
788	K	55.7	Low	62.8	Low	196 Å²	196	93.3 Å²	93.3	85%	0.852	44%	0.444	S	S	*	.	S	Bend	trans	-75.2	-18.6	-178.4	-69.2	-179.4	179.3	175.6	0	113.7	L790	K788-L790 PolarHBondContact O-N 3.48Å
789	D	55.6	Low	62	Low	125 Å²	125	99.8 Å²	99.8	67%	0.668	47%	0.466	S	S	*	.			trans	-79.8	84	176.6	-70.5	-61.1	0	0	0	113.1	T787	T787-D789 VanDerWaalsContact C-N 3.33Å; T787-D789 HydrophobicContact CG2-CB 4.37Å; T787-D789 PolarHBondContact O-N 3.26Å
790	L	59.8	Low	61.4	Low	22 Å²	22	98.1 Å²	98.1	12%	0.115	46%	0.459	C	S	.	.			trans	-104.1	105.1	161.2	-70.4	89.3	0	0	0	107.8	T787 K788 F792 K793 G800 R802	T787-L790 WeakPolarHBondContact O-CD1 3.32Å; K788-L790 PolarHBondContact O-N 3.48Å; L790-F792 VanDerWaalsContact C-N 3.26Å; L790-F792 PolarHBondContact O-N 3.17Å; L790-K793 WeakPolarHBondContact O-CE 3.27Å; L790-K793 WeakPolarHBondContact O-CG 3.49Å; L790-G800 WeakPolarHBondContact CD2-O 3.45Å; L790-R802 HydrophobicContact CD2-CG 4.25Å; L790-R802 HydrophobicContact CG-CG 4.13Å
791	P	67.1	Low	61.5	Low	96 Å²	96	93.5 Å²	93.5	62%	0.623	44%	0.442	S	S	*	.	S	Bend	trans	-63.6	-28.5	-172.2	-25.3	34.8	0	0	0	114.2	K793	P791-K793 PolarHBondContact O-N 2.85Å
792	F	63	Low	60.9	Low	77 Å²	77	95.5 Å²	95.5	34%	0.338	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	74.7	-171.4	-55.2	-70.7	0	0	0	110.7	L790 F801 R802 P804 L807	L790-F792 VanDerWaalsContact C-N 3.26Å; L790-F792 PolarHBondContact O-N 3.17Å; F792-F801 HydrophobicContact CB-CB 4.43Å; F792-F801 WeakPolarHBondContact CB-O 3.12Å; F792-F801 PolarHBondContact N-O 2.93Å; F792-F801 WeakPolarHBondContact O-CB 3.11Å; F792-F801 PolarHBondContact O-N 3.49Å; F792-R802 WeakPolarHBondContact CD2-O 3.49Å; F792-R802 WeakPolarHBondContact CE2-O 3.38Å; F792-P804 HydrophobicContact CD1-CG 4.05Å; F792-P804 HydrophobicContact CD2-CG 4.32Å; F792-P804 HydrophobicContact CE1-CG 3.72Å; F792-P804 HydrophobicContact CE2-CG 4Å; F792-P804 HydrophobicContact CG-CG 4.34Å; F792-P804 HydrophobicContact CZ-CG 3.69Å; F792-L807 HydrophobicContact CB-CB 4.16Å; F792-L807 HydrophobicContact CB-CD2 3.87Å
793	K	64.4	Low	61	Low	126 Å²	126	98.7 Å²	98.7	55%	0.548	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.4	-179.7	-61.4	174.7	-175.2	168.9	0	111.4	L790 P791 K795	L790-K793 WeakPolarHBondContact O-CE 3.27Å; L790-K793 WeakPolarHBondContact O-CG 3.49Å; P791-K793 PolarHBondContact O-N 2.85Å; K793-K795 PolarHBondContact O-N 3.3Å
794	C	67.7	Low	60.9	Low	2 Å²	2	98.6 Å²	98.6	1%	0.014	47%	0.467	C	S	.	.			trans	-72.8	113	177.5	175.6	0	0	0	0	111.4	R796 C797 R798 R799 F801 L807 H810 M811 H814	C794-R796 PolarHBondContact O-N 3.37Å; C794-R796 VanDerWaalsContact O-N 3.15Å; C794-C797 PolarHBondContact O-N 3.49Å; C794-C797 PolarHBondContact SG-N 3.23Å; C794-C797 VanDerWaalsContact SG-SG 3.68Å; C794-R798 WeakPolarHBondContact O-CA 3.46Å; C794-R798 PolarHBondContact O-N 2.88Å; C794-R799 VanDerWaalsContact CB-O 3.28Å; C794-R799 WeakPolarHBondContact CB-O 3.46Å; C794-R799 PolarHBondContact N-O 3.31Å; C794-F801 HydrophobicContact CB-CE2 4.21Å; C794-L807 HydrophobicContact CB-CD1 4.01Å; C794-H810 VanDerWaalsContact SG-CD2 3.6Å; C794-H810 PolarHBondContact SG-NE2 3.38Å; C794-M811 HydrophobicContact CB-CE 4.06Å; C794-M811 VanDerWaalsContact SG-CE 3.51Å; C794-H814 PolarHBondContact SG-NE2 3.33Å; C794-H814 VanDerWaalsContact SG-NE2 3.44Å
795	K	61	Low	61.5	Low	205 Å²	205	99.3 Å²	99.3	89%	0.891	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-31.6	178.9	-67.5	-166	176.2	-169.6	0	113.7	K793	K793-K795 PolarHBondContact O-N 3.3Å
796	R	53.5	Low	62	Low	196 Å²	196	97.6 Å²	97.6	74%	0.74	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-23.7	-174.1	-162.6	171.5	178.4	113.8	-4.1	115.5	C794	C794-R796 PolarHBondContact O-N 3.37Å; C794-R796 VanDerWaalsContact O-N 3.15Å
797	C	57.9	Low	62.6	Low	63 Å²	63	95.9 Å²	95.9	43%	0.426	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.6	20.2	177.6	78.2	0	0	0	0	114.6	C794 R799 H810 H814	C794-C797 PolarHBondContact O-N 3.49Å; C794-C797 PolarHBondContact SG-N 3.23Å; C794-C797 VanDerWaalsContact SG-SG 3.68Å; C797-R799 PolarHBondContact O-N 3.08Å; C797-H810 PolarHBondContact SG-NE2 3.44Å; C797-H814 PolarHBondContact SG-NE2 3.13Å; C797-H814 VanDerWaalsContact SG-NE2 3.38Å
798	R	52.8	Low	63.2	Low	227 Å²	227	100.9 Å²	100.9	86%	0.857	47%	0.474	S	S	*	.			trans	55.6	-3.8	174.9	-57.9	-173.1	179.9	-162.2	0.2	117.7	C794 G800	C794-R798 WeakPolarHBondContact O-CA 3.46Å; C794-R798 PolarHBondContact O-N 2.88Å; R798-G800 PolarHBondContact O-N 2.94Å
799	R	52.7	Low	63.9	Low	157 Å²	157	99.2 Å²	99.2	59%	0.592	47%	0.467	S	S	*	.			trans	-62.3	129.7	178.3	-168.3	168.3	-172.5	85.4	2.7	111.6	C794 C797 F801	C794-R799 VanDerWaalsContact CB-O 3.28Å; C794-R799 WeakPolarHBondContact CB-O 3.46Å; C794-R799 PolarHBondContact N-O 3.31Å; C797-R799 PolarHBondContact O-N 3.08Å; R799-F801 HydrophobicContact CB-CE2 4.06Å; R799-F801 HydrophobicContact CB-CZ 4.45Å; R799-F801 HydrophobicContact CG-CE2 4.07Å; R799-F801 HydrophobicContact CG-CZ 4.1Å; R799-F801 WeakPolarHBondContact O-CD2 3.41Å; R799-F801 WeakPolarHBondContact O-CE2 3.5Å
800	G	58.3	Low	64.8	Low	23 Å²	23	94.8 Å²	94.8	24%	0.237	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	148.5	177.5	0	0	0	0	0	113.4	L790 R798	L790-G800 WeakPolarHBondContact CD2-O 3.45Å; R798-G800 PolarHBondContact O-N 2.94Å
801	F	71.7	Confident	64.9	Low	33 Å²	33	96.3 Å²	96.3	15%	0.145	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.2	171.5	-62.8	-90.7	0	0	0	109.9	F792 C794 R799 E806 L807 H810	F792-F801 HydrophobicContact CB-CB 4.43Å; F792-F801 WeakPolarHBondContact CB-O 3.12Å; F792-F801 PolarHBondContact N-O 2.93Å; F792-F801 WeakPolarHBondContact O-CB 3.11Å; F792-F801 PolarHBondContact O-N 3.49Å; C794-F801 HydrophobicContact CB-CE2 4.21Å; R799-F801 HydrophobicContact CB-CE2 4.06Å; R799-F801 HydrophobicContact CB-CZ 4.45Å; R799-F801 HydrophobicContact CG-CE2 4.07Å; R799-F801 HydrophobicContact CG-CZ 4.1Å; R799-F801 WeakPolarHBondContact O-CD2 3.41Å; R799-F801 WeakPolarHBondContact O-CE2 3.5Å; F801-E806 HydrophobicContact CB-CB 4.22Å; F801-E806 HydrophobicContact CD1-CB 3.93Å; F801-E806 HydrophobicContact CG-CB 4.44Å; F801-L807 HydrophobicContact CB-CB 4.19Å; F801-L807 HydrophobicContact CD2-CB 4.45Å; F801-L807 HydrophobicContact CD2-CD1 3.75Å; F801-L807 HydrophobicContact CE2-CD1 4.29Å; F801-L807 HydrophobicContact CG-CB 4.41Å; F801-H810 HydrophobicContact CE1-CB 3.88Å; F801-H810 HydrophobicContact CE2-CB 3.98Å; F801-H810 AromaticContact CE2-CD2 3.17Å; F801-H810 WeakPolarHBondContact CE2-CD2 3.36Å; F801-H810 AromaticContact CE2-CG 3.61Å; F801-H810 AromaticContact CE2-NE2 3.77Å; F801-H810 HydrophobicContact CZ-CB 3.52Å; F801-H810 AromaticContact CZ-CD2 3.35Å; F801-H810 WeakPolarHBondContact CZ-CD2 3.33Å; F801-H810 AromaticContact CZ-CG 3.27Å; F801-H810 AromaticContact CZ-ND1 3.81Å; F801-H810 AromaticContact CZ-NE2 3.89Å
802	R	60.8	Low	64.9	Low	67 Å²	67	98.4 Å²	98.4	25%	0.253	45%	0.449	S	S	.	.	S	Bend	trans	-95.5	-20.4	-178.1	-83.2	-161.1	-94.5	161	-23.6	114	S779 R780 L783 S784 L790 F792 E806	S779-R802 PolarHBondContact O-NH1 2.84Å; S779-R802 PolarHBondContact O-NH2 3.48Å; R780-R802 PolarHBondContact O-NH2 2.9Å; L783-R802 VanDerWaalsContact CA-NH2 3.34Å; L783-R802 VanDerWaalsContact CB-CZ 3.4Å; L783-R802 WeakPolarHBondContact O-CD 3.42Å; L783-R802 PolarHBondContact O-NE 2.75Å; S784-R802 PolarHBondContact OG-NH2 3.18Å; L790-R802 HydrophobicContact CD2-CG 4.25Å; L790-R802 HydrophobicContact CG-CG 4.13Å; F792-R802 WeakPolarHBondContact CD2-O 3.49Å; F792-R802 WeakPolarHBondContact CE2-O 3.38Å; R802-E806 PolarHBondContact N-OE2 3.21Å
803	Q	70.9	Confident	64.8	Low	107 Å²	107	98.3 Å²	98.3	50%	0.5	46%	0.455	S	S	.	.	S	Bend	trans	-123.6	144.7	175	-57.9	-173.1	-6	0	0	112.4	A805 E806 L807	Q803-A805 PolarHBondContact O-N 3.34Å; Q803-E806 HydrophobicContact CB-CB 4.46Å; Q803-E806 HydrophobicContact CB-CG 4.03Å; Q803-E806 PolarHBondContact N-OE2 2.9Å; Q803-E806 PolarHBondContact O-N 3.02Å; Q803-L807 PolarHBondContact O-N 3.46Å
804	P	64.2	Low	64.6	Low	80 Å²	80	94.8 Å²	94.8	52%	0.519	44%	0.44	S	S	.	.	H	α-helix	trans	-57.2	-30.4	171.3	-24.1	33.7	0	0	0	112.9	F792 K808	F792-P804 HydrophobicContact CD1-CG 4.05Å; F792-P804 HydrophobicContact CD2-CG 4.32Å; F792-P804 HydrophobicContact CE1-CG 3.72Å; F792-P804 HydrophobicContact CE2-CG 4Å; F792-P804 HydrophobicContact CG-CG 4.34Å; F792-P804 HydrophobicContact CZ-CG 3.69Å; P804-K808 WeakPolarHBondContact O-CB 3.26Å; P804-K808 PolarHBondContact O-N 3.12Å
805	A	73.3	Confident	64	Low	56 Å²	56	98.7 Å²	98.7	46%	0.463	47%	0.467	S	S	.	.	H	α-helix	trans	-68.7	-35.3	176.9	0	0	0	0	0	113	Q803 K809	Q803-A805 PolarHBondContact O-N 3.34Å; A805-K809 WeakPolarHBondContact O-CG 3.27Å; A805-K809 PolarHBondContact O-N 3.5Å
806	E	70.9	Confident	63.6	Low	71 Å²	71	91.4 Å²	91.4	33%	0.332	45%	0.45	S	S	.	.	H	α-helix	trans	-71.5	-46.3	174.6	-64.1	170.4	151.7	0	0	110.2	F801 R802 Q803 K808 K809 H810	F801-E806 HydrophobicContact CB-CB 4.22Å; F801-E806 HydrophobicContact CD1-CB 3.93Å; F801-E806 HydrophobicContact CG-CB 4.44Å; R802-E806 PolarHBondContact N-OE2 3.21Å; Q803-E806 HydrophobicContact CB-CB 4.46Å; Q803-E806 HydrophobicContact CB-CG 4.03Å; Q803-E806 PolarHBondContact N-OE2 2.9Å; Q803-E806 PolarHBondContact O-N 3.02Å; E806-K808 VanDerWaalsContact C-N 3.3Å; E806-K808 PolarHBondContact O-N 2.77Å; E806-K809 PolarHBondContact O-N 3.18Å; E806-H810 PolarHBondContact O-N 3.02Å
807	L	73.4	Confident	63.4	Low	31 Å²	31	91.9 Å²	91.9	16%	0.162	45%	0.452	C	S	.	.	H	α-helix	trans	-57.3	-43.7	172.5	-178.3	64.1	0	0	0	111.1	F792 C794 F801 Q803 K809 H810 M811	F792-L807 HydrophobicContact CB-CB 4.16Å; F792-L807 HydrophobicContact CB-CD2 3.87Å; C794-L807 HydrophobicContact CB-CD1 4.01Å; F801-L807 HydrophobicContact CB-CB 4.19Å; F801-L807 HydrophobicContact CD2-CB 4.45Å; F801-L807 HydrophobicContact CD2-CD1 3.75Å; F801-L807 HydrophobicContact CE2-CD1 4.29Å; F801-L807 HydrophobicContact CG-CB 4.41Å; Q803-L807 PolarHBondContact O-N 3.46Å; L807-K809 PolarHBondContact O-N 3.39Å; L807-H810 CarbonylContact O-C 3.5Å; L807-H810 PolarHBondContact O-N 3.21Å; L807-M811 HydrophobicContact CD1-CE 3.75Å; L807-M811 HydrophobicContact CD1-CG 4.43Å; L807-M811 HydrophobicContact CG-CE 4.36Å; L807-M811 HydrophobicContact CG-CG 4.41Å; L807-M811 VanDerWaalsContact O-CG 3.31Å; L807-M811 WeakPolarHBondContact O-CG 3.5Å; L807-M811 PolarHBondContact O-N 3.26Å
808	K	71.7	Confident	63	Low	158 Å²	158	95.6 Å²	95.6	69%	0.687	46%	0.461	S	S	*	.	H	α-helix	trans	-67.5	-31.2	178.6	-169.2	168.3	-174.4	171.6	0	112.8	P804 E806	P804-K808 WeakPolarHBondContact O-CB 3.26Å; P804-K808 PolarHBondContact O-N 3.12Å; E806-K808 VanDerWaalsContact C-N 3.3Å; E806-K808 PolarHBondContact O-N 2.77Å
809	K	71.9	Confident	63.4	Low	161 Å²	161	89 Å²	89	70%	0.7	45%	0.446	S	S	*	.	H	α-helix	trans	-68.5	-44.5	169	-76.6	174.8	-179.9	-179.4	0	111.4	A805 E806 L807 K812	A805-K809 WeakPolarHBondContact O-CG 3.27Å; A805-K809 PolarHBondContact O-N 3.5Å; E806-K809 PolarHBondContact O-N 3.18Å; L807-K809 PolarHBondContact O-N 3.39Å; K809-K812 WeakPolarHBondContact O-CB 3.23Å; K809-K812 PolarHBondContact O-N 2.8Å
810	H	73.8	Confident	63.6	Low	32 Å²	32	86 Å²	86	15%	0.148	44%	0.435	C	S	.	.	H	α-helix	trans	-66.8	-34.8	176.8	174.8	61	0	0	0	113.1	C794 C797 F801 E806 L807 K812 T813 H814	C794-H810 VanDerWaalsContact SG-CD2 3.6Å; C794-H810 PolarHBondContact SG-NE2 3.38Å; C797-H810 PolarHBondContact SG-NE2 3.44Å; F801-H810 HydrophobicContact CE1-CB 3.88Å; F801-H810 HydrophobicContact CE2-CB 3.98Å; F801-H810 AromaticContact CE2-CD2 3.17Å; F801-H810 WeakPolarHBondContact CE2-CD2 3.36Å; F801-H810 AromaticContact CE2-CG 3.61Å; F801-H810 AromaticContact CE2-NE2 3.77Å; F801-H810 HydrophobicContact CZ-CB 3.52Å; F801-H810 AromaticContact CZ-CD2 3.35Å; F801-H810 WeakPolarHBondContact CZ-CD2 3.33Å; F801-H810 AromaticContact CZ-CG 3.27Å; F801-H810 AromaticContact CZ-ND1 3.81Å; F801-H810 AromaticContact CZ-NE2 3.89Å; E806-H810 PolarHBondContact O-N 3.02Å; L807-H810 CarbonylContact O-C 3.5Å; L807-H810 PolarHBondContact O-N 3.21Å; H810-K812 PolarHBondContact O-N 3.49Å; H810-T813 PolarHBondContact O-N 3.45Å; H810-T813 PolarHBondContact O-OG1 3.42Å; H810-H814 AromaticContact CD2-CD2 3.97Å; H810-H814 AromaticContact CD2-NE2 3.87Å; H810-H814 AromaticContact CE1-CD2 3.82Å; H810-H814 AromaticContact CE1-NE2 3.21Å; H810-H814 PolarHBondContact CE1-NE2 3.06Å; H810-H814 AromaticContact NE2-CD2 3.58Å; H810-H814 AromaticContact NE2-NE2 3.02Å; H810-H814 PolarHBondContact NE2-NE2 3.28Å
811	M	61.9	Low	64	Low	55 Å²	55	91.1 Å²	91.1	27%	0.271	45%	0.453	S	S	.	.	H	α-helix	trans	-61.7	-30.2	173.8	-74.3	-65.1	169.4	0	0	112.1	C794 L807 T813 H814 S815	C794-M811 HydrophobicContact CB-CE 4.06Å; C794-M811 VanDerWaalsContact SG-CE 3.51Å; L807-M811 HydrophobicContact CD1-CE 3.75Å; L807-M811 HydrophobicContact CD1-CG 4.43Å; L807-M811 HydrophobicContact CG-CE 4.36Å; L807-M811 HydrophobicContact CG-CG 4.41Å; L807-M811 VanDerWaalsContact O-CG 3.31Å; L807-M811 WeakPolarHBondContact O-CG 3.5Å; L807-M811 PolarHBondContact O-N 3.26Å; M811-T813 PolarHBondContact O-N 3.15Å; M811-H814 CarbonylContact O-C 3.59Å; M811-H814 WeakPolarHBondContact O-CA 3.48Å; M811-H814 WeakPolarHBondContact O-CB 3.37Å; M811-H814 PolarHBondContact O-N 3.2Å; M811-S815 PolarHBondContact O-N 3.3Å; M811-S815 PolarHBondContact O-OG 2.32Å; M811-S815 VanDerWaalsContact O-OG 3.07Å
812	K	67.9	Low	63.6	Low	139 Å²	139	89.8 Å²	89.8	60%	0.604	45%	0.448	S	S	*	.	H	α-helix	trans	-62.8	-26.7	172.1	-64.5	-177.2	178	-167.6	0	113.4	K809 H810 H814	K809-K812 WeakPolarHBondContact O-CB 3.23Å; K809-K812 PolarHBondContact O-N 2.8Å; H810-K812 PolarHBondContact O-N 3.49Å; K812-H814 VanDerWaalsContact C-N 3.3Å
813	T	60.1	Low	63.7	Low	75 Å²	75	95.2 Å²	95.2	46%	0.46	48%	0.476	S	S	.	.	H	α-helix	trans	-77	-19.1	173.4	69.4	0	0	0	0	112.6	H810 M811	H810-T813 PolarHBondContact O-N 3.45Å; H810-T813 PolarHBondContact O-OG1 3.42Å; M811-T813 PolarHBondContact O-N 3.15Å
814	H	59.8	Low	63.2	Low	52 Å²	52	97.9 Å²	97.9	24%	0.241	48%	0.483	C	S	.	.	H	α-helix	trans	-87.7	-35.1	171.7	-72.9	-66.6	0	0	0	112.9	C794 C797 H810 M811 K812 G816	C794-H814 PolarHBondContact SG-NE2 3.33Å; C794-H814 VanDerWaalsContact SG-NE2 3.44Å; C797-H814 PolarHBondContact SG-NE2 3.13Å; C797-H814 VanDerWaalsContact SG-NE2 3.38Å; H810-H814 AromaticContact CD2-CD2 3.97Å; H810-H814 AromaticContact CD2-NE2 3.87Å; H810-H814 AromaticContact CE1-CD2 3.82Å; H810-H814 AromaticContact CE1-NE2 3.21Å; H810-H814 PolarHBondContact CE1-NE2 3.06Å; H810-H814 AromaticContact NE2-CD2 3.58Å; H810-H814 AromaticContact NE2-NE2 3.02Å; H810-H814 PolarHBondContact NE2-NE2 3.28Å; M811-H814 CarbonylContact O-C 3.59Å; M811-H814 WeakPolarHBondContact O-CA 3.48Å; M811-H814 WeakPolarHBondContact O-CB 3.37Å; M811-H814 PolarHBondContact O-N 3.2Å; K812-H814 VanDerWaalsContact C-N 3.3Å; H814-G816 PolarHBondContact O-N 3.39Å
815	S	55.5	Low	63.4	Low	84 Å²	84	96.5 Å²	96.5	59%	0.587	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	12.6	-178.6	-54.5	0	0	0	0	114.8	M811 R817	M811-S815 PolarHBondContact O-N 3.3Å; M811-S815 PolarHBondContact O-OG 2.32Å; M811-S815 VanDerWaalsContact O-OG 3.07Å; S815-R817 PolarHBondContact O-N 2.92Å
816	G	53.6	Low	62.8	Low	52 Å²	52	102.3 Å²	102.3	54%	0.536	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	2.7	168.7	0	0	0	0	0	117.8	H814 K818	H814-G816 PolarHBondContact O-N 3.39Å; G816-K818 PolarHBondContact O-N 2.95Å
817	R	48.8	Very low	62.3	Low	207 Å²	207	103.8 Å²	103.8	78%	0.781	50%	0.495	S	S	*	.			trans	-67.1	100	-176.9	-73.5	-163.3	177.8	-141.3	0.1	110.1	S815 V819	S815-R817 PolarHBondContact O-N 2.92Å; R817-V819 WeakPolarHBondContact O-CG2 3.41Å; R817-V819 PolarHBondContact O-N 3.04Å
818	K	48.6	Very low	61.8	Low	141 Å²	141	104.5 Å²	104.5	61%	0.613	50%	0.499	S	S	*	.			trans	-54.1	115.1	173.7	-57.2	175.5	178.8	-157.5	0	108.5	G816 N828	G816-K818 PolarHBondContact O-N 2.95Å; K818-N828 HydrophobicContact CB-CB 4.1Å; K818-N828 HydrophobicContact CD-CB 3.9Å; K818-N828 WeakPolarHBondContact CD-OD1 3.31Å; K818-N828 WeakPolarHBondContact CE-OD1 3.42Å; K818-N828 HydrophobicContact CG-CB 3.86Å; K818-N828 PolarHBondContact NZ-OD1 2.86Å
819	V	62.9	Low	61.7	Low	89 Å²	89	97.7 Å²	97.7	54%	0.539	47%	0.472	S	S	.	.			trans	-99.7	-31.7	-179.9	-172.7	0	0	0	0	111.1	R817 S829	R817-V819 WeakPolarHBondContact O-CG2 3.41Å; R817-V819 PolarHBondContact O-N 3.04Å; V819-S829 PolarHBondContact N-O 3.13Å
820	Y	56.6	Low	61.1	Low	92 Å²	92	93.4 Å²	93.4	36%	0.361	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	113.3	179.7	-55.7	-80.1	0	0	0	109.6	N828 S829 A832 F835	Y820-N828 CarbonylContact O-C 3.53Å; Y820-N828 WeakPolarHBondContact O-CA 3.45Å; Y820-S829 PolarHBondContact N-O 2.88Å; Y820-S829 PolarHBondContact O-N 3.41Å; Y820-A832 HydrophobicContact CD2-CB 4.48Å; Y820-A832 HydrophobicContact CE1-CB 4.19Å; Y820-A832 HydrophobicContact CE2-CB 3.88Å; Y820-F835 VanDerWaalsContact CB-CG 3.49Å; Y820-F835 HydrophobicContact CD1-CD1 4.32Å; Y820-F835 HydrophobicContact CG-CB 4.04Å; Y820-F835 HydrophobicContact CG-CD1 4.43Å; Y820-F835 HydrophobicContact CG-CG 4.19Å
821	Q	65	Low	60.9	Low	131 Å²	131	95.1 Å²	95.1	61%	0.612	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.6	175.9	173.1	172.1	-6.1	0	0	109.1	F835	Q821-F835 VanDerWaalsContact O-CE2 3.29Å; Q821-F835 WeakPolarHBondContact O-CE2 3.26Å
822	C	64.8	Low	61.2	Low	5 Å²	5	94.1 Å²	94.1	3%	0.034	47%	0.47	C	S	.	.			trans	-75.8	137.7	171.9	-163.5	0	0	0	0	110.3	Y824 C825 Y827 F835 H838 H843	C822-Y824 VanDerWaalsContact C-N 3.26Å; C822-Y824 PolarHBondContact SG-N 2.98Å; C822-C825 WeakPolarHBondContact CB-O 3.37Å; C822-Y827 PolarHBondContact N-O 2.51Å; C822-F835 HydrophobicContact CB-CE2 4.17Å; C822-H838 WeakPolarHBondContact CB-NE2 3.37Å; C822-H838 PolarHBondContact SG-NE2 3.07Å; C822-H838 VanDerWaalsContact SG-NE2 3.36Å; C822-H843 VanDerWaalsContact SG-CD2 3.51Å; C822-H843 PolarHBondContact SG-NE2 2.79Å
823	Q	61.6	Low	61.4	Low	181 Å²	181	90.8 Å²	90.8	85%	0.846	46%	0.464	S	S	*	.	S	Bend	trans	-79.2	-14.7	173	-69.6	173.2	-20	0	0	111.8
824	Y	60.7	Low	61.9	Low	164 Å²	164	87.4 Å²	87.4	64%	0.643	44%	0.444	S	S	*	.	S	Bend	trans	-107.8	-6.1	-174.4	-52.6	-67.8	0	0	0	114.2	C822 H843	C822-Y824 VanDerWaalsContact C-N 3.26Å; C822-Y824 PolarHBondContact SG-N 2.98Å; Y824-H843 WeakPolarHBondContact CB-CE1 3.46Å; Y824-H843 VanDerWaalsContact CB-ND1 3.33Å; Y824-H843 WeakPolarHBondContact CB-ND1 3.12Å; Y824-H843 HydrophobicContact CD2-CB 4.31Å; Y824-H843 PolarHBondContact O-CE1 3.32Å; Y824-H843 VanDerWaalsContact O-CE1 3.28Å
825	C	68.4	Low	62.6	Low	51 Å²	51	87.3 Å²	87.3	35%	0.345	44%	0.443	S	S	.	.	S	Bend	trans	-164.6	172.6	167	71.6	0	0	0	0	111.2	C822 Y827 H838 H843	C822-C825 WeakPolarHBondContact CB-O 3.37Å; C825-Y827 PolarHBondContact O-N 2.85Å; C825-H838 PolarHBondContact SG-CE1 2.99Å; C825-H838 PolarHBondContact SG-NE2 2.86Å; C825-H838 VanDerWaalsContact SG-NE2 3.39Å; C825-H843 PolarHBondContact SG-NE2 3.37Å
826	E	61.9	Low	63.3	Low	178 Å²	178	90.2 Å²	90.2	83%	0.832	45%	0.445	S	S	*	.	S	Bend	trans	-69.2	-1.1	-176.2	-57.9	-177.2	169.1	0	0	115.4	N828	E826-N828 PolarHBondContact O-ND2 2.96Å
827	Y	59.6	Low	64.1	Low	102 Å²	102	92 Å²	92	40%	0.4	44%	0.436	S	S	.	.			trans	-63.3	137.8	-178.4	-175.9	-93.3	0	0	0	112.5	C822 C825 H838	C822-Y827 PolarHBondContact N-O 2.51Å; C825-Y827 PolarHBondContact O-N 2.85Å; Y827-H838 VanDerWaalsContact CB-CE1 3.46Å; Y827-H838 WeakPolarHBondContact CB-CE1 3.43Å; Y827-H838 HydrophobicContact CD1-CB 3.63Å; Y827-H838 AromaticContact CD1-CD2 3.48Å; Y827-H838 VanDerWaalsContact CD1-CD2 3.48Å; Y827-H838 WeakPolarHBondContact CD1-CD2 3.29Å; Y827-H838 AromaticContact CD1-CE1 3.96Å; Y827-H838 AromaticContact CD1-CG 3.18Å; Y827-H838 AromaticContact CD1-ND1 3.51Å; Y827-H838 AromaticContact CD1-NE2 3.96Å; Y827-H838 HydrophobicContact CE1-CB 3.46Å; Y827-H838 VanDerWaalsContact CE1-CB 3.46Å; Y827-H838 AromaticContact CE1-CG 3.6Å; Y827-H838 HydrophobicContact CG-CB 4.47Å; Y827-H838 AromaticContact CG-CE1 3.74Å; Y827-H838 AromaticContact CG-CG 3.72Å; Y827-H838 AromaticContact CG-ND1 3.51Å
828	N	63.1	Low	65.4	Low	46 Å²	46	83 Å²	83	25%	0.246	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.6	177.9	-20.2	116.5	0	0	0	110.5	K818 Y820 E826	K818-N828 HydrophobicContact CB-CB 4.1Å; K818-N828 HydrophobicContact CD-CB 3.9Å; K818-N828 WeakPolarHBondContact CD-OD1 3.31Å; K818-N828 WeakPolarHBondContact CE-OD1 3.42Å; K818-N828 HydrophobicContact CG-CB 3.86Å; K818-N828 PolarHBondContact NZ-OD1 2.86Å; Y820-N828 CarbonylContact O-C 3.53Å; Y820-N828 WeakPolarHBondContact O-CA 3.45Å; E826-N828 PolarHBondContact O-ND2 2.96Å
829	S	68.6	Low	66.5	Low	15 Å²	15	77.6 Å²	77.6	11%	0.105	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.5	177.1	-143.5	0	0	0	0	112.4	V819 Y820	V819-S829 PolarHBondContact N-O 3.13Å; Y820-S829 PolarHBondContact N-O 2.88Å; Y820-S829 PolarHBondContact O-N 3.41Å
830	T	61	Low	66.9	Low	71 Å²	71	75.6 Å²	75.6	44%	0.436	37%	0.367	S	S	.	.	S	Bend	trans	-94.8	-6	173.8	50.3	0	0	0	0	112.6
831	D	69.1	Low	67.5	Low	68 Å²	68	72 Å²	72	36%	0.364	36%	0.355	S	S	.	.	S	Bend	trans	-130.1	136.5	179.5	160.2	43.2	0	0	0	110.5	S833 G834 F835	D831-S833 VanDerWaalsContact CG-N 3.28Å; D831-S833 PolarHBondContact O-N 3.47Å; D831-S833 WeakPolarHBondContact OD1-CB 3.4Å; D831-S833 PolarHBondContact OD1-N 3.35Å; D831-S833 PolarHBondContact OD1-OG 3.18Å; D831-S833 WeakPolarHBondContact OD2-CA 3.46Å; D831-S833 WeakPolarHBondContact OD2-CB 3.41Å; D831-S833 PolarHBondContact OD2-N 2.78Å; D831-S833 PolarHBondContact OD2-OG 3.24Å; D831-G834 PolarHBondContact O-N 3.37Å; D831-G834 PolarHBondContact OD2-N 2.91Å; D831-F835 PolarHBondContact O-N 2.97Å
832	A	68.1	Low	67.6	Low	34 Å²	34	70 Å²	70	28%	0.281	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-30	177.2	0	0	0	0	0	112.5	Y820 F835 K836	Y820-A832 HydrophobicContact CD2-CB 4.48Å; Y820-A832 HydrophobicContact CE1-CB 4.19Å; Y820-A832 HydrophobicContact CE2-CB 3.88Å; A832-F835 PolarHBondContact O-N 2.97Å; A832-K836 WeakPolarHBondContact O-CB 3.32Å; A832-K836 WeakPolarHBondContact O-CG 3.35Å; A832-K836 PolarHBondContact O-N 2.81Å
833	S	72.6	Confident	67.9	Low	69 Å²	69	72.7 Å²	72.7	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-73.9	-38.8	178.2	-24.8	0	0	0	0	111.2	D831 R837	D831-S833 VanDerWaalsContact CG-N 3.28Å; D831-S833 PolarHBondContact O-N 3.47Å; D831-S833 WeakPolarHBondContact OD1-CB 3.4Å; D831-S833 PolarHBondContact OD1-N 3.35Å; D831-S833 PolarHBondContact OD1-OG 3.18Å; D831-S833 WeakPolarHBondContact OD2-CA 3.46Å; D831-S833 WeakPolarHBondContact OD2-CB 3.41Å; D831-S833 PolarHBondContact OD2-N 2.78Å; D831-S833 PolarHBondContact OD2-OG 3.24Å; S833-R837 VanDerWaalsContact O-CB 3.27Å; S833-R837 WeakPolarHBondContact O-CB 3.34Å; S833-R837 PolarHBondContact O-N 3.37Å; S833-R837 VanDerWaalsContact O-N 3.1Å
834	G	70.5	Confident	68.3	Low	4 Å²	4	68.1 Å²	68.1	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-46.1	167.1	0	0	0	0	0	112.5	D831 R837 H838	D831-G834 PolarHBondContact O-N 3.37Å; D831-G834 PolarHBondContact OD2-N 2.91Å; G834-R837 PolarHBondContact O-N 2.79Å; G834-H838 PolarHBondContact O-N 3.26Å
835	F	73.5	Confident	68.5	Low	49 Å²	49	67 Å²	67	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-54	177	179.4	-113.6	0	0	0	113.3	Y820 Q821 C822 D831 A832 R837 H838 V839	Y820-F835 VanDerWaalsContact CB-CG 3.49Å; Y820-F835 HydrophobicContact CD1-CD1 4.32Å; Y820-F835 HydrophobicContact CG-CB 4.04Å; Y820-F835 HydrophobicContact CG-CD1 4.43Å; Y820-F835 HydrophobicContact CG-CG 4.19Å; Q821-F835 VanDerWaalsContact O-CE2 3.29Å; Q821-F835 WeakPolarHBondContact O-CE2 3.26Å; C822-F835 HydrophobicContact CB-CE2 4.17Å; D831-F835 PolarHBondContact O-N 2.97Å; A832-F835 PolarHBondContact O-N 2.97Å; F835-R837 VanDerWaalsContact C-N 3.28Å; F835-R837 PolarHBondContact O-N 2.81Å; F835-H838 WeakPolarHBondContact O-CB 3.17Å; F835-H838 PolarHBondContact O-N 3.22Å; F835-V839 HydrophobicContact CD2-CG2 4.33Å; F835-V839 HydrophobicContact CE1-CG2 4.17Å; F835-V839 HydrophobicContact CE2-CG2 3.82Å; F835-V839 HydrophobicContact CZ-CG2 3.74Å; F835-V839 PolarHBondContact O-N 3.11Å
836	K	69.9	Low	68.4	Low	145 Å²	145	68.6 Å²	68.6	63%	0.63	35%	0.348	S	S	*	.	H	α-helix	trans	-56.4	-43.3	177.2	-75.2	-176.8	176.3	-170.1	0	111.4	A832 H838 V839 I840	A832-K836 WeakPolarHBondContact O-CB 3.32Å; A832-K836 WeakPolarHBondContact O-CG 3.35Å; A832-K836 PolarHBondContact O-N 2.81Å; K836-H838 PolarHBondContact O-N 3.3Å; K836-V839 PolarHBondContact O-N 2.89Å; K836-I840 WeakPolarHBondContact O-CB 3.49Å; K836-I840 WeakPolarHBondContact O-CD1 3.25Å; K836-I840 VanDerWaalsContact O-CG1 3.3Å; K836-I840 WeakPolarHBondContact O-CG1 3.19Å; K836-I840 PolarHBondContact O-N 3.34Å
837	R	70.1	Confident	68.9	Low	91 Å²	91	62.9 Å²	62.9	34%	0.343	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-42.6	175.7	-169.3	-167.8	-47.4	113.5	12.8	112.1	S833 G834 F835 S841	S833-R837 VanDerWaalsContact O-CB 3.27Å; S833-R837 WeakPolarHBondContact O-CB 3.34Å; S833-R837 PolarHBondContact O-N 3.37Å; S833-R837 VanDerWaalsContact O-N 3.1Å; G834-R837 PolarHBondContact O-N 2.79Å; F835-R837 VanDerWaalsContact C-N 3.28Å; F835-R837 PolarHBondContact O-N 2.81Å; R837-S841 WeakPolarHBondContact O-CB 3.35Å; R837-S841 PolarHBondContact O-N 2.97Å; R837-S841 PolarHBondContact O-OG 3.28Å
838	H	76.8	Confident	69.4	Low	16 Å²	16	61.5 Å²	61.5	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-54	176.6	160.8	72.1	0	0	0	111.4	C822 C825 Y827 G834 F835 K836 I840 S841 I842 H843	C822-H838 WeakPolarHBondContact CB-NE2 3.37Å; C822-H838 PolarHBondContact SG-NE2 3.07Å; C822-H838 VanDerWaalsContact SG-NE2 3.36Å; C825-H838 PolarHBondContact SG-CE1 2.99Å; C825-H838 PolarHBondContact SG-NE2 2.86Å; C825-H838 VanDerWaalsContact SG-NE2 3.39Å; Y827-H838 VanDerWaalsContact CB-CE1 3.46Å; Y827-H838 WeakPolarHBondContact CB-CE1 3.43Å; Y827-H838 HydrophobicContact CD1-CB 3.63Å; Y827-H838 AromaticContact CD1-CD2 3.48Å; Y827-H838 VanDerWaalsContact CD1-CD2 3.48Å; Y827-H838 WeakPolarHBondContact CD1-CD2 3.29Å; Y827-H838 AromaticContact CD1-CE1 3.96Å; Y827-H838 AromaticContact CD1-CG 3.18Å; Y827-H838 AromaticContact CD1-ND1 3.51Å; Y827-H838 AromaticContact CD1-NE2 3.96Å; Y827-H838 HydrophobicContact CE1-CB 3.46Å; Y827-H838 VanDerWaalsContact CE1-CB 3.46Å; Y827-H838 AromaticContact CE1-CG 3.6Å; Y827-H838 HydrophobicContact CG-CB 4.47Å; Y827-H838 AromaticContact CG-CE1 3.74Å; Y827-H838 AromaticContact CG-CG 3.72Å; Y827-H838 AromaticContact CG-ND1 3.51Å; G834-H838 PolarHBondContact O-N 3.26Å; F835-H838 WeakPolarHBondContact O-CB 3.17Å; F835-H838 PolarHBondContact O-N 3.22Å; K836-H838 PolarHBondContact O-N 3.3Å; H838-I840 VanDerWaalsContact C-N 3.31Å; H838-I840 PolarHBondContact O-N 3.47Å; H838-S841 WeakPolarHBondContact CA-OG 3.45Å; H838-S841 PolarHBondContact O-N 3.06Å; H838-S841 PolarHBondContact O-OG 2.92Å; H838-I842 PolarHBondContact O-N 3.01Å; H838-H843 AromaticContact CE1-NE2 3.65Å; H838-H843 AromaticContact NE2-CD2 3.55Å; H838-H843 AromaticContact NE2-NE2 3.35Å; H838-H843 PolarHBondContact NE2-NE2 3.44Å
839	V	72.2	Confident	69.8	Low	29 Å²	29	62.5 Å²	62.5	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-56.4	-45.8	179.5	176.6	0	0	0	0	111.2	F835 K836 S841 H843 T844	F835-V839 HydrophobicContact CD2-CG2 4.33Å; F835-V839 HydrophobicContact CE1-CG2 4.17Å; F835-V839 HydrophobicContact CE2-CG2 3.82Å; F835-V839 HydrophobicContact CZ-CG2 3.74Å; F835-V839 PolarHBondContact O-N 3.11Å; K836-V839 PolarHBondContact O-N 2.89Å; V839-S841 PolarHBondContact O-N 3.4Å; V839-H843 WeakPolarHBondContact O-CB 3.37Å; V839-H843 PolarHBondContact O-N 3.17Å; V839-T844 HydrophobicContact CG1-CG2 4.29Å; V839-T844 PolarHBondContact O-N 3.24Å
840	I	71.8	Confident	70.1	Confident	47 Å²	47	68.1 Å²	68.1	24%	0.241	34%	0.344	C	S	.	.	I	π-helix	trans	-59.6	-44.7	173.6	-75.7	166.4	0	0	0	112	K836 H838 T844 K845 D846 P848	K836-I840 WeakPolarHBondContact O-CB 3.49Å; K836-I840 WeakPolarHBondContact O-CD1 3.25Å; K836-I840 VanDerWaalsContact O-CG1 3.3Å; K836-I840 WeakPolarHBondContact O-CG1 3.19Å; K836-I840 PolarHBondContact O-N 3.34Å; H838-I840 VanDerWaalsContact C-N 3.31Å; H838-I840 PolarHBondContact O-N 3.47Å; I840-T844 WeakPolarHBondContact CA-OG1 3.39Å; I840-K845 WeakPolarHBondContact O-CA 3.48Å; I840-K845 PolarHBondContact O-N 3.32Å; I840-D846 VanDerWaalsContact CG2-O 3.24Å; I840-D846 WeakPolarHBondContact CG2-O 3.45Å; I840-P848 HydrophobicContact CD1-CG 4.16Å
841	S	69	Low	71	Confident	16 Å²	16	64.8 Å²	64.8	11%	0.112	32%	0.324	C	S	.	.	I	π-helix	trans	-76.5	-28.9	-171.4	66.4	0	0	0	0	115.3	R837 H838 V839 R859	R837-S841 WeakPolarHBondContact O-CB 3.35Å; R837-S841 PolarHBondContact O-N 2.97Å; R837-S841 PolarHBondContact O-OG 3.28Å; H838-S841 WeakPolarHBondContact CA-OG 3.45Å; H838-S841 PolarHBondContact O-N 3.06Å; H838-S841 PolarHBondContact O-OG 2.92Å; V839-S841 PolarHBondContact O-N 3.4Å; S841-R859 PolarHBondContact O-NH2 3.07Å
842	I	65.8	Low	71.3	Confident	90 Å²	90	67.1 Å²	67.1	46%	0.462	34%	0.337	S	S	.	.	I	π-helix	trans	-109.9	-47.9	-173.6	-56.7	-54.8	0	0	0	111.4	H838	H838-I842 PolarHBondContact O-N 3.01Å
843	H	72.3	Confident	71.6	Confident	61 Å²	61	71.2 Å²	71.2	28%	0.282	35%	0.345	S	S	.	.	I	π-helix	trans	-97.9	-51.1	-165	-62.1	-67.4	0	0	0	113.3	C822 Y824 C825 H838 V839	C822-H843 VanDerWaalsContact SG-CD2 3.51Å; C822-H843 PolarHBondContact SG-NE2 2.79Å; Y824-H843 WeakPolarHBondContact CB-CE1 3.46Å; Y824-H843 VanDerWaalsContact CB-ND1 3.33Å; Y824-H843 WeakPolarHBondContact CB-ND1 3.12Å; Y824-H843 HydrophobicContact CD2-CB 4.31Å; Y824-H843 PolarHBondContact O-CE1 3.32Å; Y824-H843 VanDerWaalsContact O-CE1 3.28Å; C825-H843 PolarHBondContact SG-NE2 3.37Å; H838-H843 AromaticContact CE1-NE2 3.65Å; H838-H843 AromaticContact NE2-CD2 3.55Å; H838-H843 AromaticContact NE2-NE2 3.35Å; H838-H843 PolarHBondContact NE2-NE2 3.44Å; V839-H843 WeakPolarHBondContact O-CB 3.37Å; V839-H843 PolarHBondContact O-N 3.17Å
844	T	68.5	Low	71.7	Confident	84 Å²	84	69.7 Å²	69.7	52%	0.515	34%	0.335	S	S	.	.	I	π-helix	trans	-88.1	-28.7	179.6	70.8	0	0	0	0	113.5	V839 I840 D846	V839-T844 HydrophobicContact CG1-CG2 4.29Å; V839-T844 PolarHBondContact O-N 3.24Å; I840-T844 WeakPolarHBondContact CA-OG1 3.39Å; T844-D846 PolarHBondContact O-N 2.97Å; T844-D846 PolarHBondContact OG1-N 3.42Å
845	K	66.1	Low	71.7	Confident	142 Å²	142	75.1 Å²	75.1	62%	0.617	37%	0.367	S	S	*	.			trans	53.7	18.5	-172.5	-61.5	176.2	-176	169.2	0	114.1	I840 Y847	I840-K845 WeakPolarHBondContact O-CA 3.48Å; I840-K845 PolarHBondContact O-N 3.32Å; K845-Y847 HydrophobicContact CB-CE2 4.33Å; K845-Y847 WeakPolarHBondContact O-CD2 3.48Å; K845-Y847 WeakPolarHBondContact O-CE2 3.31Å; K845-Y847 PolarHBondContact O-N 3.47Å
846	D	65.9	Low	71.8	Confident	84 Å²	84	78.5 Å²	78.5	45%	0.449	38%	0.382	S	S	.	.			trans	-85.9	102.2	175.6	-178.9	38.2	0	0	0	110.7	I840 T844 P848 R850	I840-D846 VanDerWaalsContact CG2-O 3.24Å; I840-D846 WeakPolarHBondContact CG2-O 3.45Å; T844-D846 PolarHBondContact O-N 2.97Å; T844-D846 PolarHBondContact OG1-N 3.42Å; D846-P848 WeakPolarHBondContact O-CD 3.36Å; D846-R850 IonicContact OD1-CZ 3.33Å; D846-R850 IonicContact OD1-NH2 2.86Å; D846-R850 PolarHBondContact OD1-NH2 2.83Å
847	Y	72.8	Confident	72.1	Confident	58 Å²	58	72.9 Å²	72.9	23%	0.227	37%	0.365	C	S	.	.			trans	-81.6	108.8	-178	-65	-94	0	0	0	110.5	K845 H849 R850 G857 R859	K845-Y847 HydrophobicContact CB-CE2 4.33Å; K845-Y847 WeakPolarHBondContact O-CD2 3.48Å; K845-Y847 WeakPolarHBondContact O-CE2 3.31Å; K845-Y847 PolarHBondContact O-N 3.47Å; Y847-H849 PolarHBondContact O-N 2.94Å; Y847-R850 WeakPolarHBondContact O-CG 3.24Å; Y847-R850 PolarHBondContact O-NE 2.97Å; Y847-G857 VanDerWaalsContact CB-CA 3.41Å; Y847-G857 WeakPolarHBondContact CD1-O 3.39Å; Y847-R859 HydrophobicContact CD1-CG 3.73Å; Y847-R859 HydrophobicContact CE1-CG 3.5Å; Y847-R859 PolarHBondContact OH-NH2 3.33Å; Y847-R859 VanDerWaalsContact OH-NH2 3.12Å
848	P	70.1	Confident	72.4	Confident	73 Å²	73	70.3 Å²	70.3	47%	0.474	36%	0.356	S	S	.	.	S	Bend	trans	-73.9	-11.2	-172.2	-16.8	33.1	0	0	0	113.7	I840 D846	I840-P848 HydrophobicContact CD1-CG 4.16Å; D846-P848 WeakPolarHBondContact O-CD 3.36Å
849	H	70.3	Confident	72	Confident	66 Å²	66	74.6 Å²	74.6	31%	0.306	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	76.2	-177.3	-54.6	-49.4	0	0	0	109.5	Y847 F858 K864	Y847-H849 PolarHBondContact O-N 2.94Å; H849-F858 WeakPolarHBondContact O-CB 3.46Å; H849-F858 PolarHBondContact O-N 3.06Å; H849-K864 HydrophobicContact CB-CB 4.22Å; H849-K864 HydrophobicContact CB-CD 4.22Å
850	R	76.2	Confident	71.7	Confident	134 Å²	134	79 Å²	79	51%	0.506	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	141.6	175.6	-54.6	-173.7	-175	-145.1	2.2	109.9	D846 Y847 K856 K864	D846-R850 IonicContact OD1-CZ 3.33Å; D846-R850 IonicContact OD1-NH2 2.86Å; D846-R850 PolarHBondContact OD1-NH2 2.83Å; Y847-R850 WeakPolarHBondContact O-CG 3.24Å; Y847-R850 PolarHBondContact O-NE 2.97Å; R850-K856 CarbonylContact C-O 3.59Å; R850-K856 WeakPolarHBondContact CA-O 3.41Å; R850-K864 VanDerWaalsContact O-CD 3.32Å; R850-K864 WeakPolarHBondContact O-CD 3.2Å; R850-K864 WeakPolarHBondContact O-CE 3.38Å; R850-K864 PolarHBondContact O-NZ 2.98Å
851	C	80.1	Confident	71.8	Confident	1 Å²	1	80.5 Å²	80.5	1%	0.007	40%	0.398	C	S	.	.			trans	-72.2	124.9	170.4	178.5	0	0	0	0	109	Y853 C854 T855 K856 F858 H867 H872	C851-Y853 PolarHBondContact O-N 2.9Å; C851-C854 PolarHBondContact O-N 3.47Å; C851-T855 VanDerWaalsContact O-CA 3.26Å; C851-T855 WeakPolarHBondContact O-CA 3.32Å; C851-T855 PolarHBondContact O-N 3.28Å; C851-K856 PolarHBondContact N-O 3.44Å; C851-F858 HydrophobicContact CB-CE2 3.92Å; C851-H867 PolarHBondContact SG-NE2 3.03Å; C851-H867 VanDerWaalsContact SG-NE2 3.37Å; C851-H872 VanDerWaalsContact SG-CD2 3.58Å
852	D	75.3	Confident	72.1	Confident	117 Å²	117	83.2 Å²	83.2	63%	0.626	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.9	-171.8	-35.7	-71	0	0	0	111.1	K864	D852-K864 IonicContact OD1-NZ 3.68Å; D852-K864 PolarHBondContact OD1-NZ 3.1Å; D852-K864 WeakPolarHBondContact OD2-CE 3.48Å; D852-K864 IonicContact OD2-NZ 2.79Å; D852-K864 PolarHBondContact OD2-NZ 3.32Å
853	Y	74.1	Confident	72.7	Confident	119 Å²	119	81.7 Å²	81.7	47%	0.467	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-17.4	-179.3	-56.8	-66.7	0	0	0	115.2	C851 I868 H872 M875	C851-Y853 PolarHBondContact O-N 2.9Å; Y853-I868 HydrophobicContact CD2-CG2 4.32Å; Y853-I868 HydrophobicContact CE2-CG2 4.15Å; Y853-H872 VanDerWaalsContact CB-CE1 3.46Å; Y853-H872 WeakPolarHBondContact CB-CE1 3.3Å; Y853-H872 WeakPolarHBondContact CB-ND1 3.48Å; Y853-H872 HydrophobicContact CD2-CB 3.84Å; Y853-H872 AromaticContact CD2-CG 3.86Å; Y853-H872 HydrophobicContact CE2-CB 4.43Å; Y853-H872 HydrophobicContact CG-CB 4.34Å; Y853-M875 HydrophobicContact CE1-CB 4.41Å
854	C	75.5	Confident	73	Confident	38 Å²	38	80.8 Å²	80.8	26%	0.257	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.4	18.1	-177.7	84.3	0	0	0	0	115.2	C851 K856 H867	C851-C854 PolarHBondContact O-N 3.47Å; C854-K856 PolarHBondContact O-N 2.93Å; C854-H867 PolarHBondContact SG-NE2 3.33Å
855	T	69.4	Low	73.4	Confident	118 Å²	118	80.4 Å²	80.4	72%	0.724	40%	0.404	S	S	*	.			trans	56.5	-7.4	176.8	73.1	0	0	0	0	118.2	C851 G857	C851-T855 VanDerWaalsContact O-CA 3.26Å; C851-T855 WeakPolarHBondContact O-CA 3.32Å; C851-T855 PolarHBondContact O-N 3.28Å; T855-G857 PolarHBondContact O-N 2.81Å
856	K	75.5	Confident	73.9	Confident	119 Å²	119	78.7 Å²	78.7	52%	0.517	40%	0.398	S	S	.	.			trans	-56.3	127.9	178.8	-72.4	179.4	-176.4	174	0	111.7	R850 C851 C854 F858	R850-K856 CarbonylContact C-O 3.59Å; R850-K856 WeakPolarHBondContact CA-O 3.41Å; C851-K856 PolarHBondContact N-O 3.44Å; C854-K856 PolarHBondContact O-N 2.93Å; K856-F858 HydrophobicContact CB-CE2 3.7Å; K856-F858 HydrophobicContact CB-CZ 3.85Å; K856-F858 VanDerWaalsContact O-CD2 3.29Å; K856-F858 WeakPolarHBondContact O-CD2 3.12Å; K856-F858 WeakPolarHBondContact O-CE2 3.27Å
857	G	75.6	Confident	74.6	Confident	27 Å²	27	75.4 Å²	75.4	28%	0.278	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.9	177.9	0	0	0	0	0	113.7	Y847 T855	Y847-G857 VanDerWaalsContact CB-CA 3.41Å; Y847-G857 WeakPolarHBondContact CD1-O 3.39Å; T855-G857 PolarHBondContact O-N 2.81Å
858	F	76.7	Confident	74.9	Confident	38 Å²	38	73.5 Å²	73.5	17%	0.167	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	152.5	177.8	-62.5	-82.5	0	0	0	112.7	H849 C851 K856 E863 K864 H867	H849-F858 WeakPolarHBondContact O-CB 3.46Å; H849-F858 PolarHBondContact O-N 3.06Å; C851-F858 HydrophobicContact CB-CE2 3.92Å; K856-F858 HydrophobicContact CB-CE2 3.7Å; K856-F858 HydrophobicContact CB-CZ 3.85Å; K856-F858 VanDerWaalsContact O-CD2 3.29Å; K856-F858 WeakPolarHBondContact O-CD2 3.12Å; K856-F858 WeakPolarHBondContact O-CE2 3.27Å; F858-E863 HydrophobicContact CB-CB 3.98Å; F858-E863 HydrophobicContact CD1-CB 3.95Å; F858-E863 HydrophobicContact CG-CB 4.3Å; F858-K864 HydrophobicContact CB-CB 4.15Å; F858-K864 HydrophobicContact CD2-CB 4.04Å; F858-K864 HydrophobicContact CG-CB 4.25Å; F858-H867 HydrophobicContact CE1-CB 3.74Å; F858-H867 AromaticContact CE1-CG 3.94Å; F858-H867 HydrophobicContact CE2-CB 4.04Å; F858-H867 AromaticContact CE2-CD2 3.34Å; F858-H867 WeakPolarHBondContact CE2-CD2 3.32Å; F858-H867 AromaticContact CE2-CG 3.68Å; F858-H867 HydrophobicContact CZ-CB 3.49Å; F858-H867 VanDerWaalsContact CZ-CB 3.49Å; F858-H867 AromaticContact CZ-CD2 3.35Å; F858-H867 WeakPolarHBondContact CZ-CD2 3.36Å; F858-H867 AromaticContact CZ-CG 3.18Å; F858-H867 AromaticContact CZ-ND1 3.73Å; F858-H867 AromaticContact CZ-NE2 3.95Å
859	R	69.5	Low	75.3	Confident	105 Å²	105	72.6 Å²	72.6	40%	0.396	37%	0.373	S	S	.	.	S	Bend	trans	-92.5	-12.6	-174.4	-58.7	176.2	176.1	165.5	-1.8	112.5	S841 Y847 E863	S841-R859 PolarHBondContact O-NH2 3.07Å; Y847-R859 HydrophobicContact CD1-CG 3.73Å; Y847-R859 HydrophobicContact CE1-CG 3.5Å; Y847-R859 PolarHBondContact OH-NH2 3.33Å; Y847-R859 VanDerWaalsContact OH-NH2 3.12Å; R859-E863 WeakPolarHBondContact CA-OE2 3.16Å; R859-E863 WeakPolarHBondContact CB-OE2 3.49Å; R859-E863 PolarHBondContact N-OE2 3.41Å
860	R	64.9	Low	75.6	Confident	122 Å²	122	78 Å²	78	46%	0.46	39%	0.39	S	S	.	.	S	Bend	trans	-134.2	151.1	171.9	-55.3	178.9	-150.1	-148.2	-0.2	111.1	S862 E863 K864	R860-S862 WeakPolarHBondContact CB-OG 3.18Å; R860-S862 PolarHBondContact O-N 3.49Å; R860-E863 HydrophobicContact CB-CB 4.23Å; R860-E863 HydrophobicContact CB-CG 3.9Å; R860-E863 WeakPolarHBondContact CD-OE1 3.38Å; R860-E863 HydrophobicContact CG-CG 4.2Å; R860-E863 VanDerWaalsContact CG-OE1 3.25Å; R860-E863 WeakPolarHBondContact CG-OE1 3.36Å; R860-E863 IonicContact CZ-OE1 3.91Å; R860-E863 PolarHBondContact N-OE2 3.05Å; R860-E863 IonicContact NE-OE1 2.82Å; R860-E863 PolarHBondContact NE-OE1 2.82Å; R860-E863 WeakPolarHBondContact O-CB 2.99Å; R860-E863 PolarHBondContact O-N 3.42Å; R860-E863 VanDerWaalsContact O-N 3.12Å; R860-K864 PolarHBondContact O-N 2.93Å
861	P	74	Confident	75.4	Confident	78 Å²	78	77.4 Å²	77.4	51%	0.506	39%	0.393	S	S	.	.	H	α-helix	trans	-54.9	-41.5	166.4	-24.3	33.9	0	0	0	112.2	E863 K864 S865	P861-E863 VanDerWaalsContact C-N 3.27Å; P861-E863 PolarHBondContact O-N 2.83Å; P861-K864 WeakPolarHBondContact O-CB 3.49Å; P861-K864 PolarHBondContact O-N 3.18Å; P861-S865 PolarHBondContact O-N 3.49Å; P861-S865 PolarHBondContact O-OG 3.23Å; P861-S865 VanDerWaalsContact O-OG 3.14Å
862	S	76.6	Confident	75.2	Confident	73 Å²	73	78.7 Å²	78.7	51%	0.51	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-30.9	178.2	62.3	0	0	0	0	113.6	R860 Q866	R860-S862 WeakPolarHBondContact CB-OG 3.18Å; R860-S862 PolarHBondContact O-N 3.49Å; S862-Q866 VanDerWaalsContact O-CB 3.23Å; S862-Q866 WeakPolarHBondContact O-CB 3.43Å; S862-Q866 PolarHBondContact O-N 2.98Å
863	E	76.8	Confident	74.8	Confident	59 Å²	59	79.6 Å²	79.6	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-73.8	-42	175.9	-68.7	161	-170	0	0	110.2	F858 R859 R860 P861 Q866 H867	F858-E863 HydrophobicContact CB-CB 3.98Å; F858-E863 HydrophobicContact CD1-CB 3.95Å; F858-E863 HydrophobicContact CG-CB 4.3Å; R859-E863 WeakPolarHBondContact CA-OE2 3.16Å; R859-E863 WeakPolarHBondContact CB-OE2 3.49Å; R859-E863 PolarHBondContact N-OE2 3.41Å; R860-E863 HydrophobicContact CB-CB 4.23Å; R860-E863 HydrophobicContact CB-CG 3.9Å; R860-E863 WeakPolarHBondContact CD-OE1 3.38Å; R860-E863 HydrophobicContact CG-CG 4.2Å; R860-E863 VanDerWaalsContact CG-OE1 3.25Å; R860-E863 WeakPolarHBondContact CG-OE1 3.36Å; R860-E863 IonicContact CZ-OE1 3.91Å; R860-E863 PolarHBondContact N-OE2 3.05Å; R860-E863 IonicContact NE-OE1 2.82Å; R860-E863 PolarHBondContact NE-OE1 2.82Å; R860-E863 WeakPolarHBondContact O-CB 2.99Å; R860-E863 PolarHBondContact O-N 3.42Å; R860-E863 VanDerWaalsContact O-N 3.12Å; P861-E863 VanDerWaalsContact C-N 3.27Å; P861-E863 PolarHBondContact O-N 2.83Å; E863-Q866 PolarHBondContact O-N 2.84Å; E863-H867 VanDerWaalsContact O-CB 3.26Å; E863-H867 WeakPolarHBondContact O-CB 3.35Å; E863-H867 PolarHBondContact O-N 3Å
864	K	79.2	Confident	74.2	Confident	42 Å²	42	79.5 Å²	79.5	18%	0.183	40%	0.404	C	S	.	.	H	α-helix	trans	-57.8	-50.9	169.6	174.5	176.3	174.2	166.9	0	110.8	H849 R850 D852 F858 R860 P861 Q866 H867 I868	H849-K864 HydrophobicContact CB-CB 4.22Å; H849-K864 HydrophobicContact CB-CD 4.22Å; R850-K864 VanDerWaalsContact O-CD 3.32Å; R850-K864 WeakPolarHBondContact O-CD 3.2Å; R850-K864 WeakPolarHBondContact O-CE 3.38Å; R850-K864 PolarHBondContact O-NZ 2.98Å; D852-K864 IonicContact OD1-NZ 3.68Å; D852-K864 PolarHBondContact OD1-NZ 3.1Å; D852-K864 WeakPolarHBondContact OD2-CE 3.48Å; D852-K864 IonicContact OD2-NZ 2.79Å; D852-K864 PolarHBondContact OD2-NZ 3.32Å; F858-K864 HydrophobicContact CB-CB 4.15Å; F858-K864 HydrophobicContact CD2-CB 4.04Å; F858-K864 HydrophobicContact CG-CB 4.25Å; R860-K864 PolarHBondContact O-N 2.93Å; P861-K864 WeakPolarHBondContact O-CB 3.49Å; P861-K864 PolarHBondContact O-N 3.18Å; K864-Q866 PolarHBondContact O-N 3.35Å; K864-H867 PolarHBondContact O-N 3.06Å; K864-I868 HydrophobicContact CD-CD1 4.32Å; K864-I868 HydrophobicContact CG-CD1 3.71Å; K864-I868 HydrophobicContact CG-CG1 4.37Å; K864-I868 WeakPolarHBondContact O-CG1 3.42Å; K864-I868 PolarHBondContact O-N 2.79Å
865	S	77.1	Confident	73.3	Confident	76 Å²	76	83.4 Å²	83.4	53%	0.531	42%	0.421	S	S	.	.	H	α-helix	trans	-61.2	-44.4	179.8	-58.6	0	0	0	0	112.6	P861 H867 I868 A869	P861-S865 PolarHBondContact O-N 3.49Å; P861-S865 PolarHBondContact O-OG 3.23Å; P861-S865 VanDerWaalsContact O-OG 3.14Å; S865-H867 VanDerWaalsContact C-N 3.32Å; S865-H867 PolarHBondContact O-N 3.12Å; S865-I868 PolarHBondContact O-N 3.23Å; S865-A869 VanDerWaalsContact O-CB 3.26Å; S865-A869 WeakPolarHBondContact O-CB 3.41Å; S865-A869 PolarHBondContact O-N 3.35Å
866	Q	77.1	Confident	72.7	Confident	105 Å²	105	83 Å²	83	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-67.6	-32.7	177.9	-172.1	177.7	43.5	0	0	112.3	S862 E863 K864 R870	S862-Q866 VanDerWaalsContact O-CB 3.23Å; S862-Q866 WeakPolarHBondContact O-CB 3.43Å; S862-Q866 PolarHBondContact O-N 2.98Å; E863-Q866 PolarHBondContact O-N 2.84Å; K864-Q866 PolarHBondContact O-N 3.35Å; Q866-R870 WeakPolarHBondContact O-CB 3.05Å; Q866-R870 WeakPolarHBondContact O-CD 3.46Å; Q866-R870 VanDerWaalsContact O-CG 3.27Å; Q866-R870 WeakPolarHBondContact O-CG 3.29Å; Q866-R870 PolarHBondContact O-N 3.49Å
867	H	80.8	Confident	71.2	Confident	16 Å²	16	87.3 Å²	87.3	7%	0.074	44%	0.438	C	S	.	.	H	α-helix	trans	-69	-48.1	173.2	162.5	69.2	0	0	0	112	C851 C854 F858 E863 K864 S865 A869 R870 H871 H872	C851-H867 PolarHBondContact SG-NE2 3.03Å; C851-H867 VanDerWaalsContact SG-NE2 3.37Å; C854-H867 PolarHBondContact SG-NE2 3.33Å; F858-H867 HydrophobicContact CE1-CB 3.74Å; F858-H867 AromaticContact CE1-CG 3.94Å; F858-H867 HydrophobicContact CE2-CB 4.04Å; F858-H867 AromaticContact CE2-CD2 3.34Å; F858-H867 WeakPolarHBondContact CE2-CD2 3.32Å; F858-H867 AromaticContact CE2-CG 3.68Å; F858-H867 HydrophobicContact CZ-CB 3.49Å; F858-H867 VanDerWaalsContact CZ-CB 3.49Å; F858-H867 AromaticContact CZ-CD2 3.35Å; F858-H867 WeakPolarHBondContact CZ-CD2 3.36Å; F858-H867 AromaticContact CZ-CG 3.18Å; F858-H867 AromaticContact CZ-ND1 3.73Å; F858-H867 AromaticContact CZ-NE2 3.95Å; E863-H867 VanDerWaalsContact O-CB 3.26Å; E863-H867 WeakPolarHBondContact O-CB 3.35Å; E863-H867 PolarHBondContact O-N 3Å; K864-H867 PolarHBondContact O-N 3.06Å; S865-H867 VanDerWaalsContact C-N 3.32Å; S865-H867 PolarHBondContact O-N 3.12Å; H867-A869 PolarHBondContact O-N 3.28Å; H867-R870 PolarHBondContact O-N 3.28Å; H867-R870 VanDerWaalsContact O-N 3.08Å; H867-H871 AromaticContact CE1-CD2 3.72Å; H867-H871 AromaticContact CE1-CG 3.9Å; H867-H871 AromaticContact ND1-CD2 3.23Å; H867-H871 PolarHBondContact ND1-CD2 3.46Å; H867-H871 AromaticContact ND1-CG 3.86Å; H867-H871 PolarHBondContact O-CD2 3.36Å; H867-H871 PolarHBondContact O-N 3.39Å; H867-H872 AromaticContact NE2-CD2 3.77Å; H867-H872 AromaticContact NE2-NE2 3.68Å
868	I	78.9	Confident	71	Confident	17 Å²	17	90.4 Å²	90.4	9%	0.087	45%	0.446	C	S	.	.	H	α-helix	trans	-60.5	-46.3	177.2	-64.8	172.3	0	0	0	109.9	Y853 K864 S865 R870 H871 H872 K873 L876	Y853-I868 HydrophobicContact CD2-CG2 4.32Å; Y853-I868 HydrophobicContact CE2-CG2 4.15Å; K864-I868 HydrophobicContact CD-CD1 4.32Å; K864-I868 HydrophobicContact CG-CD1 3.71Å; K864-I868 HydrophobicContact CG-CG1 4.37Å; K864-I868 WeakPolarHBondContact O-CG1 3.42Å; K864-I868 PolarHBondContact O-N 2.79Å; S865-I868 PolarHBondContact O-N 3.23Å; I868-R870 PolarHBondContact O-N 2.89Å; I868-H871 PolarHBondContact O-N 3.4Å; I868-H872 HydrophobicContact CG2-CB 3.95Å; I868-H872 CarbonylContact O-C 3.57Å; I868-H872 VanDerWaalsContact O-C 3.22Å; I868-H872 WeakPolarHBondContact O-CA 3.33Å; I868-H872 PolarHBondContact O-N 3.25Å; I868-K873 PolarHBondContact O-N 2.98Å; I868-L876 HydrophobicContact CG2-CD1 3.63Å; I868-L876 HydrophobicContact CG2-CD2 4.47Å; I868-L876 HydrophobicContact CG2-CG 4.12Å
869	A	76.8	Confident	70.7	Confident	55 Å²	55	93.1 Å²	93.1	46%	0.455	46%	0.461	S	S	.	.	H	α-helix	trans	-64.6	-10.2	177	0	0	0	0	0	115	S865 H867	S865-A869 VanDerWaalsContact O-CB 3.26Å; S865-A869 WeakPolarHBondContact O-CB 3.41Å; S865-A869 PolarHBondContact O-N 3.35Å; H867-A869 PolarHBondContact O-N 3.28Å
870	R	76.5	Confident	70.8	Confident	179 Å²	179	92.4 Å²	92.4	68%	0.675	46%	0.464	S	S	*	.	H	α-helix	trans	-109.2	-29.6	177.3	-77.2	177	169.6	176.6	-5.4	114.5	Q866 H867 I868	Q866-R870 WeakPolarHBondContact O-CB 3.05Å; Q866-R870 WeakPolarHBondContact O-CD 3.46Å; Q866-R870 VanDerWaalsContact O-CG 3.27Å; Q866-R870 WeakPolarHBondContact O-CG 3.29Å; Q866-R870 PolarHBondContact O-N 3.49Å; H867-R870 PolarHBondContact O-N 3.28Å; H867-R870 VanDerWaalsContact O-N 3.08Å; I868-R870 PolarHBondContact O-N 2.89Å
871	H	73.9	Confident	71.1	Confident	122 Å²	122	90.7 Å²	90.7	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-119.4	-14.3	-173.9	-66.4	-81.7	0	0	0	114.5	H867 I868	H867-H871 AromaticContact CE1-CD2 3.72Å; H867-H871 AromaticContact CE1-CG 3.9Å; H867-H871 AromaticContact ND1-CD2 3.23Å; H867-H871 PolarHBondContact ND1-CD2 3.46Å; H867-H871 AromaticContact ND1-CG 3.86Å; H867-H871 PolarHBondContact O-CD2 3.36Å; H867-H871 PolarHBondContact O-N 3.39Å; I868-H871 PolarHBondContact O-N 3.4Å
872	H	75.1	Confident	70.9	Confident	28 Å²	28	91.5 Å²	91.5	13%	0.13	46%	0.462	C	S	.	.	S	Bend	trans	-131.3	26.3	179.7	-59.1	-67.2	0	0	0	110.7	C851 Y853 H867 I868 D874 M875	C851-H872 VanDerWaalsContact SG-CD2 3.58Å; Y853-H872 VanDerWaalsContact CB-CE1 3.46Å; Y853-H872 WeakPolarHBondContact CB-CE1 3.3Å; Y853-H872 WeakPolarHBondContact CB-ND1 3.48Å; Y853-H872 HydrophobicContact CD2-CB 3.84Å; Y853-H872 AromaticContact CD2-CG 3.86Å; Y853-H872 HydrophobicContact CE2-CB 4.43Å; Y853-H872 HydrophobicContact CG-CB 4.34Å; H867-H872 AromaticContact NE2-CD2 3.77Å; H867-H872 AromaticContact NE2-NE2 3.68Å; I868-H872 HydrophobicContact CG2-CB 3.95Å; I868-H872 CarbonylContact O-C 3.57Å; I868-H872 VanDerWaalsContact O-C 3.22Å; I868-H872 WeakPolarHBondContact O-CA 3.33Å; I868-H872 PolarHBondContact O-N 3.25Å; H872-D874 PolarHBondContact O-N 3.03Å; H872-M875 HydrophobicContact CB-CB 4.39Å; H872-M875 PolarHBondContact O-N 2.75Å
873	K	66.8	Low	70.5	Confident	136 Å²	136	92.7 Å²	92.7	59%	0.591	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-58.2	-37.3	179.3	-169.3	-172.1	175.7	-163.2	0	111.5	I868 M875 L876	I868-K873 PolarHBondContact O-N 2.98Å; K873-M875 PolarHBondContact O-N 2.77Å; K873-L876 PolarHBondContact O-N 3.33Å
874	D	61.3	Low	70.1	Confident	116 Å²	116	95.1 Å²	95.1	62%	0.62	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-85.1	3.7	-179.4	-40.5	-54.4	0	0	0	112.9	H872 M877	H872-D874 PolarHBondContact O-N 3.03Å; D874-M877 HydrophobicContact CB-CE 4.47Å
875	M	56.4	Low	69.4	Low	121 Å²	121	99.2 Å²	99.2	60%	0.596	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-110.9	14.4	169.4	-53.1	-84	83	0	0	111.3	Y853 H872 K873	Y853-M875 HydrophobicContact CE1-CB 4.41Å; H872-M875 HydrophobicContact CB-CB 4.39Å; H872-M875 PolarHBondContact O-N 2.75Å; K873-M875 PolarHBondContact O-N 2.77Å
876	L	56.1	Low	68.7	Low	108 Å²	108	101.2 Å²	101.2	57%	0.565	49%	0.491	S	S	*	.			trans	-121.9	17.2	177.2	-75.7	179.7	0	0	0	112.3	I868 K873	I868-L876 HydrophobicContact CG2-CD1 3.63Å; I868-L876 HydrophobicContact CG2-CD2 4.47Å; I868-L876 HydrophobicContact CG2-CG 4.12Å; K873-L876 PolarHBondContact O-N 3.33Å
877	M	45.2	Very low	68	Low	211 Å²	211	100.8 Å²	100.8	100%	1.039	49%	0.491	S	S	*	.			trans	-117.6	0	174.9	-66.9	-170.7	-71	0	0	109.8	D874	D874-M877 HydrophobicContact CB-CE 4.47Å

Retrieved 877 of 877 residues in 326.7 ms (Link to these results)

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