A0A077Z3X2_TRITR Loading...

Probable ATP-dependent RNA helicase DDX46

Component of the 17S U2 SnRNP complex of the spliceosome, a large ribonucleoprotein complex that removes introns from transcribed pre-mRNAs. The 17S U2 SnRNP complex (1) directly participates in early spliceosome assembly and (2) mediates recognition of the intron branch site during pre-mRNA splicing by promoting the selection of the pre-mRNA branch-site adenosine, the nucleophile for the first step of splicing. Within the 17S U2 SnRNP complex, DDX46 plays essential roles during assembly of pre-spliceosome and proofreading of the branch site.

AlphaFold DB , UniProt , Accession A0A077Z3X2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 963 aa.

						>A0A077Z3X2_TRITR|A0A077Z3X2
MVSGDSRSRAYDRQRGRDTDHRREQRDRSRSPNVSDRRFSDRHDKKRKRSADRSPHHRRRRSRSPDVKSKPASEETLTKPVSMDIFDIKNKDAEKKLEEEMQKRKERIERWRAERRARLISKTTQAKAWTLEDDAEDDENDEVEGNNEIANGENAIPTVQATVTEETADEPDPLDLFMEEIRQTRGLKPEEVGSGSSGSSKVIMVTKVNLQKEKVKGDIVEQNADALEYSDEEQDVDIEQAMSSLASQAKQLPITDHSKVYYRPFRKDFYVEVPELKRMTQEEVEAYREQLEGIRVRGKNCPKPIKKWAQCGCSRRLLELLKKYNYEKPTPIQAQSIPAILCGRDVIGIAKTGSGKTLAFLVPMFRHILDQPPLDEMDGPIAMVMTPTRELAMQIAKECKRFSRPLGLTTVCVYGGTGISEQIAELKRGTEIIVCTPGRMIDMLAANNGKVTNLRRITYLVLDEADRMFDMGFEPQVMKIIANIRPDRQTIMFSATFPRQMEALARKTLQKPIEVTVGNRSVVCRDVEQHAFVLEEEQKFLKLLELLGIYQEVGNVLIFVDKQERADELVADLMRAGYPCAPLHGGIDQFDRDSTISDFKKGVINLLVATSVAARGLDVKNMIMVVNYDCPNHYEDYVHRVGRCGRAGNKGYAFTFLLPSGQERNAGDLVKAFELAGQEVPLPLQMIWEAYVKQMASEGKTVKQGGGYGGHGYKFDEAEAEAVKSKRSMEKLVHGLQASDDDEEDIDQQIQSLMKSTRRVTEGSGLSVSVSGTQGAVQGNQQALEKAKQLARQINMERNIGVGAKDVTQQTAEAVLKGAVTGPVNVSAKTIAQQLAEKLNEKLNYVPSEVPQQEQQQVFSRYEEELEINDFPQQVRWRITSRETLSQIQEYAEVGISVKGSYVPPGKEPKEGDRRLYLCIEATSELSIGRARAEIVRVLKEELRKLASMSSAQMYNKAKYRVV
					

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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	40.9	Very low	40.5	Very low	235 Å²	235	158.4 Å²	158.4	100%	1.158	85%	0.847	S	S	*	*				0	118.6	0	-59.4	170.8	179.2	0	0	106.1
2	V	43	Very low	40.4	Very low	131 Å²	131	154.6 Å²	154.6	79%	0.794	83%	0.827	S	S	*	*			cis	-139.4	111.2	-2.8	177.5	0	0	0	0	104.9
3	S	39.8	Very low	40.4	Very low	110 Å²	110	159 Å²	159	77%	0.769	83%	0.825	S	S	*	*				69.6	111.4	83.7	-49.5	0	0	0	0	115.8
4	G	42.1	Very low	40.4	Very low	78 Å²	78	161.6 Å²	161.6	80%	0.804	83%	0.831	S	S	*	*			trans	89.5	156.5	148	0	0	0	0	0	118.7
5	D	42.7	Very low	40.1	Very low	156 Å²	156	167.3 Å²	167.3	83%	0.834	84%	0.838	S	S	*	*			cis	-157.4	161.6	-15.1	-154.9	-4.2	0	0	0	112.9
6	S	38.9	Very low	40.4	Very low	89 Å²	89	161.8 Å²	161.8	62%	0.622	84%	0.836	S	S	*	*			trans	-40.8	148.9	174.9	-44.9	0	0	0	0	118.2
7	R	39.8	Very low	40.2	Very low	253 Å²	253	165.7 Å²	165.7	96%	0.955	84%	0.838	S	S	*	*				179.3	172	109.2	-97	163.1	-175.2	179.9	3	114.6
8	S	37	Very low	40.5	Very low	106 Å²	106	165.3 Å²	165.3	74%	0.741	84%	0.838	S	S	*	*			trans	-129.1	160.8	-168.7	57.4	0	0	0	0	113.2
9	R	39.9	Very low	40.3	Very low	255 Å²	255	162.5 Å²	162.5	96%	0.962	83%	0.83	S	S	*	*			trans	-173.9	163.2	144.6	-104.8	158.4	-177.5	-179.9	-0.5	111.6
10	A	36.8	Very low	40.3	Very low	89 Å²	89	161.3 Å²	161.3	74%	0.736	83%	0.826	S	S	*	*			trans	-120.7	165.3	-176.8	0	0	0	0	0	111.8
11	Y	45.2	Very low	40.4	Very low	240 Å²	240	162 Å²	162	94%	0.941	83%	0.825	S	S	*	*			trans	-142.4	167.9	166.6	-106.5	-83.6	0	0	0	111
12	D	39.5	Very low	40.4	Very low	113 Å²	113	161.4 Å²	161.4	60%	0.604	81%	0.81	S	S	*	*			trans	-142.3	158.2	-151.5	-179.1	25.9	0	0	0	112.8
13	R	39.4	Very low	40.1	Very low	212 Å²	212	166.6 Å²	166.6	80%	0.8	82%	0.816	S	S	*	*			trans	70.9	153	175.4	-61.5	150.7	-149.3	-157.9	4.3	115.4
14	Q	41.5	Very low	40.2	Very low	196 Å²	196	169.4 Å²	169.4	92%	0.916	82%	0.817	S	S	*	*			cis	-141.3	-175.3	37.8	-68.3	-179	-6.2	0	0	115.2
15	R	35.7	Very low	40.1	Very low	247 Å²	247	173.6 Å²	173.6	93%	0.932	82%	0.815	S	S	*	*			trans	-102.5	154.5	-177.2	-74.8	176.3	165.4	176.3	-4.4	113
16	G	44	Very low	39.7	Very low	79 Å²	79	177.2 Å²	177.2	81%	0.814	82%	0.817	S	S	*	*			trans	-137.8	155.9	154.3	0	0	0	0	0	110.8
17	R	38	Very low	39.8	Very low	228 Å²	228	178.9 Å²	178.9	86%	0.86	82%	0.819	S	S	*	*			trans	-122.6	158.3	171.4	-78.9	177.8	167.6	164.9	-7.3	108.4
18	D	44.5	Very low	39.8	Very low	158 Å²	158	176.7 Å²	176.7	85%	0.845	81%	0.811	S	S	*	*				-170.4	-176.4	118.3	-91.8	-22.2	0	0	0	111.4
19	T	37.9	Very low	39.9	Very low	112 Å²	112	176.6 Å²	176.6	69%	0.687	81%	0.81	S	S	*	*			trans	-142.1	156.8	-139.3	-30.9	0	0	0	0	114.4
20	D	40.2	Very low	39.8	Very low	139 Å²	139	176.1 Å²	176.1	74%	0.743	81%	0.808	S	S	*	*			trans	65.5	130.4	160.7	-76.4	-46.6	0	0	0	120.6
21	H	42.9	Very low	40.1	Very low	176 Å²	176	177.8 Å²	177.8	82%	0.815	82%	0.815	S	S	*	*				-158.8	152.7	112.6	-103	-70.8	0	0	0	113
22	R	40.1	Very low	39.8	Very low	223 Å²	223	171.7 Å²	171.7	84%	0.842	80%	0.804	S	S	*	*			trans	-56.2	143.2	-167.1	-60.7	161.2	-174.8	172.2	-0.4	114.1
23	R	37.2	Very low	39.8	Very low	239 Å²	239	173.7 Å²	173.7	90%	0.902	82%	0.815	S	S	*	*				68.7	106.6	58	-111.6	-160.4	-169.8	-169.3	5.8	115.2
24	E	40.4	Very low	39.8	Very low	170 Å²	170	170.2 Å²	170.2	79%	0.794	82%	0.817	S	S	*	*			trans	-179.4	161	136.9	-109.5	-177	-129.9	0	0	108.6
25	Q	40.8	Very low	39.7	Very low	165 Å²	165	165 Å²	165	77%	0.771	80%	0.802	S	S	*	*			cis	-122.6	-161.7	-6.1	-66.1	-163.8	-25.3	0	0	111
26	R	34.5	Very low	39.8	Very low	233 Å²	233	160.1 Å²	160.1	88%	0.879	80%	0.795	S	S	*	*			trans	-158.2	175.2	168.4	-113.2	-175.2	-178.9	-173.9	0.6	109.7
27	D	40.2	Very low	39.5	Very low	123 Å²	123	167.8 Å²	167.8	66%	0.658	80%	0.799	S	S	*	*			trans	93.3	149.7	178.9	-68.5	6.4	0	0	0	115.2
28	R	39.2	Very low	39.3	Very low	208 Å²	208	168.1 Å²	168.1	79%	0.785	80%	0.8	S	S	*	*			cis	-153.5	162	10.9	-138	158.4	-108.7	-176.7	-2.7	113
29	S	40.4	Very low	39.1	Very low	103 Å²	103	170.1 Å²	170.1	72%	0.72	80%	0.802	S	S	*	*			trans	40.6	117.1	157.9	50.9	0	0	0	0	121
30	R	37.7	Very low	39.1	Very low	246 Å²	246	168.9 Å²	168.9	93%	0.928	80%	0.797	S	S	*	*				60	112.7	72.5	-82.6	-170.3	168.6	-176.2	-2.3	116.7
31	S	43.1	Very low	39	Very low	124 Å²	124	169.3 Å²	169.3	87%	0.867	80%	0.8	S	S	*	*			trans	-167.2	132.1	143.2	-90.8	0	0	0	0	111.1
32	P	38.4	Very low	38.9	Very low	112 Å²	112	172.2 Å²	172.2	73%	0.727	80%	0.804	S	S	*	*			trans	-114.7	167.4	178.4	40.2	-31.9	0	0	0	114.8
33	N	38.7	Very low	38.9	Very low	155 Å²	155	169 Å²	169	83%	0.829	80%	0.798	S	S	*	*			trans	67	136	170.9	-60.8	-14.8	0	0	0	117.9
34	V	40.2	Very low	39.2	Very low	139 Å²	139	163 Å²	163	84%	0.842	78%	0.783	S	S	*	*				-174.6	146.5	115.2	146.6	0	0	0	0	110.8
35	S	39.7	Very low	39.2	Very low	87 Å²	87	161.3 Å²	161.3	61%	0.608	77%	0.774	S	S	*	*			trans	-35.7	159.6	-174.7	61.4	0	0	0	0	122
36	D	37.8	Very low	39.3	Very low	144 Å²	144	162.6 Å²	162.6	77%	0.77	78%	0.777	S	S	*	*			trans	3.5	139.5	142.1	-66.7	-82.5	0	0	0	120.6
37	R	38.5	Very low	39.5	Very low	239 Å²	239	163.2 Å²	163.2	90%	0.902	78%	0.779	S	S	*	*				-157.9	115.2	129.8	-102.1	144.7	-153.1	-150.5	4.5	112.8
38	R	33.9	Very low	39.4	Very low	236 Å²	236	167.3 Å²	167.3	89%	0.891	79%	0.791	S	S	*	*			trans	-78.3	143	141.3	-60.1	176.6	-177.4	173.4	0.7	107.3
39	F	38.3	Very low	39.5	Very low	200 Å²	200	169 Å²	169	88%	0.877	80%	0.797	S	S	*	*			trans	159.8	145	160.7	-111.7	-113.9	0	0	0	106.3
40	S	39.2	Very low	39.7	Very low	85 Å²	85	169.1 Å²	169.1	59%	0.594	80%	0.799	S	S	*	*			cis	-164.6	171.2	-16.7	56	0	0	0	0	109.4
41	D	38.2	Very low	39.9	Very low	149 Å²	149	161.9 Å²	161.9	80%	0.797	79%	0.791	S	S	*	*			trans	-56.1	145.2	171.5	-53.4	-97.3	0	0	0	114.4
42	R	40.5	Very low	39.9	Very low	236 Å²	236	161.4 Å²	161.4	89%	0.891	78%	0.779	S	S	*	*			trans	173.7	144.7	151.5	-95.8	154	-168.8	-150.7	4.9	108
43	H	41	Very low	39.9	Very low	156 Å²	156	166 Å²	166	72%	0.722	78%	0.782	S	S	*	*			cis	-165.6	170.8	-22.8	-151.1	-92.1	0	0	0	106.8
44	D	43.2	Very low	40.3	Very low	112 Å²	112	163.8 Å²	163.8	60%	0.599	78%	0.778	S	S	*	*			trans	85.7	142.8	165.3	-72.4	11.4	0	0	0	120.6
45	K	40.7	Very low	40.3	Very low	136 Å²	136	162.9 Å²	162.9	59%	0.591	78%	0.775	S	S	*	*			cis	-173.7	134	-29.3	-118.4	175.1	-152.4	126	0	108.3
46	K	41.3	Very low	40.4	Very low	192 Å²	192	167.6 Å²	167.6	84%	0.835	79%	0.787	S	S	*	*			trans	61.5	132.2	162.5	-53	172.1	-179.9	178.2	0	115.1
47	R	39.7	Very low	40.5	Very low	245 Å²	245	167.3 Å²	167.3	93%	0.925	78%	0.781	S	S	*	*			cis	-147.7	144.3	42.2	-70.3	171.9	166.4	169.9	-4.9	112
48	K	37.3	Very low	40.6	Very low	210 Å²	210	165.9 Å²	165.9	91%	0.913	78%	0.775	S	S	*	*			trans	-137.9	157.1	156	-83.4	-170.4	174.7	-176.3	0	108
49	R	40.8	Very low	40.9	Very low	242 Å²	242	165.7 Å²	165.7	91%	0.913	78%	0.775	S	S	*	*			trans	-127.5	138.1	164.2	-88.7	-176.8	164.4	174.9	-6.3	109
50	S	44.9	Very low	41	Very low	107 Å²	107	167.5 Å²	167.5	75%	0.748	78%	0.776	S	S	*	*			trans	20.2	119.8	155.1	49	0	0	0	0	119
51	A	42.9	Very low	40.9	Very low	93 Å²	93	174.7 Å²	174.7	77%	0.769	79%	0.79	S	S	*	*				77.6	148.2	63.8	0	0	0	0	0	112.6
52	D	42.8	Very low	41.1	Very low	114 Å²	114	172.1 Å²	172.1	61%	0.61	78%	0.783	S	S	*	*			cis	-158.8	160.8	20.7	-153.4	0.3	0	0	0	113.6
53	R	39	Very low	41	Very low	210 Å²	210	172.8 Å²	172.8	79%	0.792	79%	0.786	S	S	*	*			trans	57.7	155.7	161.5	-65.4	161.6	-142.6	-155.6	4.9	120.1
54	S	45.8	Very low	40.8	Very low	108 Å²	108	170.9 Å²	170.9	76%	0.755	79%	0.79	S	S	*	*			cis	-162.3	158.4	-23.6	-90.1	0	0	0	0	109.9
55	P	40.8	Very low	40.7	Very low	119 Å²	119	170.7 Å²	170.7	77%	0.773	80%	0.795	S	S	*	*			trans	-120.5	156.9	-162.5	41.2	-31.6	0	0	0	118.5
56	H	41.7	Very low	40.6	Very low	187 Å²	187	171.5 Å²	171.5	87%	0.866	81%	0.806	S	S	*	*			trans	-165	166.5	159.7	-109.1	5.4	0	0	0	110.2
57	H	40.9	Very low	40.6	Very low	137 Å²	137	169.3 Å²	169.3	63%	0.634	81%	0.808	S	S	*	*			cis	-134.3	-126.7	0.3	176.2	-129.2	0	0	0	111.2
58	R	40.3	Very low	40.3	Very low	209 Å²	209	167.3 Å²	167.3	79%	0.789	81%	0.806	S	S	*	*			trans	-158.6	144.8	-171.1	-66.4	174.9	170.9	165.9	-4.7	113.9
59	R	39.7	Very low	40.5	Very low	233 Å²	233	163.2 Å²	163.2	88%	0.879	80%	0.804	S	S	*	*			trans	159	131.6	135.7	-86.5	159.4	-177.5	-168.8	1	108.2
60	R	39.8	Very low	40.3	Very low	238 Å²	238	161.4 Å²	161.4	90%	0.898	80%	0.803	S	S	*	*			cis	94.5	129.3	31.3	-95.9	-165.2	169.5	-168.5	-2.4	115.5
61	R	37.8	Very low	39.9	Very low	236 Å²	236	162.3 Å²	162.3	89%	0.891	81%	0.806	S	S	*	*			trans	81.6	156.1	170.3	-64.6	177.5	172.6	169.2	-4.2	117
62	S	41.6	Very low	39.6	Very low	94 Å²	94	163.1 Å²	163.1	66%	0.657	81%	0.812	S	S	*	*				174.2	147.8	-52.6	49.9	0	0	0	0	112.5
63	R	38.3	Very low	39.1	Very low	251 Å²	251	163 Å²	163	95%	0.947	82%	0.82	S	S	*	*			trans	88.2	138.7	166.1	-62.8	-179.9	165.9	174.9	-6.6	118.7
64	S	38	Very low	39	Very low	116 Å²	116	162.5 Å²	162.5	81%	0.811	83%	0.827	S	S	*	*			trans	-88.9	-169.6	167.6	-17.5	0	0	0	0	110.5
65	P	40.6	Very low	38.4	Very low	107 Å²	107	166.1 Å²	166.1	70%	0.695	83%	0.832	S	S	*	*			cis	-139	-178.5	14.1	44.4	-25.5	0	0	0	117.8
66	D	37.8	Very low	38.2	Very low	153 Å²	153	167.3 Å²	167.3	82%	0.818	84%	0.837	S	S	*	*			trans	38.2	130.7	148.7	-59.7	-31.6	0	0	0	123.6
67	V	41.2	Very low	37.9	Very low	147 Å²	147	166.2 Å²	166.2	89%	0.891	84%	0.837	S	S	*	*				-163.5	159.8	122.3	136.7	0	0	0	0	110.2
68	K	34.9	Very low	37.8	Very low	202 Å²	202	166.5 Å²	166.5	88%	0.878	85%	0.849	S	S	*	*			trans	-99.6	152.7	-172.4	-56	165.1	-177.6	168.3	0	113.1
69	S	40.7	Very low	37.7	Very low	124 Å²	124	165.8 Å²	165.8	87%	0.867	85%	0.851	S	S	*	*			trans	-146.3	165.2	151.3	58.2	0	0	0	0	111
70	K	37.6	Very low	37.5	Very low	205 Å²	205	161 Å²	161	89%	0.891	85%	0.85	S	S	*	*			trans	-116.1	161.5	-176.8	-100.9	-171.6	173.6	-172.5	0	111
71	P	36.9	Very low	37.3	Very low	126 Å²	126	155.8 Å²	155.8	82%	0.818	85%	0.845	S	S	*	*			trans	-90.2	163.9	-171.8	37	-36.9	0	0	0	114.3
72	A	36.4	Very low	37.1	Very low	109 Å²	109	149.5 Å²	149.5	90%	0.901	84%	0.837	S	S	*	*			trans	-143.9	165.5	159.5	0	0	0	0	0	109
73	S	31.1	Very low	36.9	Very low	111 Å²	111	153.1 Å²	153.1	78%	0.776	85%	0.846	S	S	*	*			trans	-106.1	147.3	-172.9	51.7	0	0	0	0	113
74	E	38.2	Very low	36.7	Very low	200 Å²	200	148.6 Å²	148.6	94%	0.935	84%	0.84	S	S	*	*			trans	-160.2	156.3	149.7	-121.3	162.9	-159.3	0	0	111.3
75	E	32.7	Very low	36.6	Very low	184 Å²	184	149.7 Å²	149.7	86%	0.86	84%	0.835	S	S	*	*			trans	-98.2	154.3	-178.1	-59.6	176.4	116	0	0	111.4
76	T	37.1	Very low	36.3	Very low	144 Å²	144	152.3 Å²	152.3	88%	0.883	84%	0.836	S	S	*	*			trans	-163.1	138.1	153.4	-4.8	0	0	0	0	112.4
77	L	35.3	Very low	36.3	Very low	165 Å²	165	151.3 Å²	151.3	86%	0.864	83%	0.831	S	S	*	*			trans	-80.5	141.9	174.5	-73.7	75.2	0	0	0	111.3
78	T	38.3	Very low	36.4	Very low	142 Å²	142	151.4 Å²	151.4	87%	0.871	83%	0.825	S	S	*	*			trans	-133.8	150.2	153.7	45.8	0	0	0	0	110.6
79	K	36.7	Very low	36.8	Very low	195 Å²	195	149.2 Å²	149.2	85%	0.848	82%	0.815	S	S	*	*			trans	-83.4	156.3	-170.3	-71.6	178.3	177.6	179.4	0	112.2
80	P	35.7	Very low	37.5	Very low	132 Å²	132	149.5 Å²	149.5	86%	0.857	81%	0.807	S	S	*	*			trans	-67.8	153.3	178.3	29.5	-36.6	0	0	0	112.5
81	V	36.2	Very low	38.2	Very low	129 Å²	129	145.6 Å²	145.6	78%	0.782	79%	0.79	S	S	*	*			trans	-109.1	125.4	170.6	174.8	0	0	0	0	108.1
82	S	34.6	Very low	39.6	Very low	103 Å²	103	145.6 Å²	145.6	72%	0.72	78%	0.783	S	S	*	*			trans	-77.5	138.4	168.4	46	0	0	0	0	110.7
83	M	35.5	Very low	41	Very low	171 Å²	171	143.1 Å²	143.1	84%	0.842	76%	0.763	S	S	*	*			trans	-143.5	96	166.9	-94	-164.7	160.1	0	0	109.8	I85	M83-I85 PolarHBondContact O-N 2.63Å; M83-I85 VanDerWaalsContact O-N 3.09Å
84	D	34.7	Very low	42.6	Very low	155 Å²	155	143.5 Å²	143.5	83%	0.829	75%	0.752	S	S	*	*			trans	-74.4	93	172.9	-58.3	-65.5	0	0	0	110.4
85	I	35.5	Very low	44.3	Very low	140 Å²	140	140 Å²	140	72%	0.718	73%	0.734	S	S	*	*			trans	-158.9	116.1	165.3	-97.3	143.7	0	0	0	106.7	M83	M83-I85 PolarHBondContact O-N 2.63Å; M83-I85 VanDerWaalsContact O-N 3.09Å
86	F	34.6	Very low	46.3	Very low	161 Å²	161	138.3 Å²	138.3	71%	0.706	72%	0.724	S	S	*	*			trans	177.3	-0.3	145.7	-99.3	-59.4	0	0	0	116.1	I88 K89	F86-I88 PolarHBondContact O-N 3.24Å; F86-K89 PolarHBondContact O-N 3.13Å
87	D	39.1	Very low	47.9	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	20.9	-169.4	-160.4	10.7	0	0	0	117.6	K91	D87-K91 IonicContact OD1-NZ 3.67Å
88	I	42	Very low	49.7	Very low	149 Å²	149	133.8 Å²	133.8	76%	0.764	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	-13.9	-179.8	-61	-178.7	0	0	0	112.5	F86	F86-I88 PolarHBondContact O-N 3.24Å
89	K	44	Very low	51.5	Low	156 Å²	156	131.3 Å²	131.3	68%	0.678	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-13.9	-171.8	-74.1	-173.5	176.2	178	0	117.2	F86	F86-K89 PolarHBondContact O-N 3.13Å
90	N	54.4	Low	53.3	Low	130 Å²	130	128.1 Å²	128.1	70%	0.695	66%	0.657	S	S	*	*	S	Bend	trans	-76.8	-35	175.1	-104.2	11	0	0	0	112.9	D92 A93 E94	N90-D92 PolarHBondContact O-N 3.2Å; N90-D92 VanDerWaalsContact O-N 3.17Å; N90-A93 WeakPolarHBondContact O-CA 3.38Å; N90-A93 WeakPolarHBondContact O-CB 3.47Å; N90-A93 PolarHBondContact O-N 3.19Å; N90-E94 WeakPolarHBondContact O-CB 3.47Å; N90-E94 PolarHBondContact O-N 3.45Å
91	K	53	Low	55	Low	123 Å²	123	125.3 Å²	125.3	54%	0.535	63%	0.634	S	S	.	*	H	α-helix	trans	-57.5	-33.4	-177	-71.3	168.7	179.6	149.8	0	113.3	D87 K95	D87-K91 IonicContact OD1-NZ 3.67Å; K91-K95 WeakPolarHBondContact O-CB 3.38Å; K91-K95 PolarHBondContact O-N 3.39Å
92	D	67.3	Low	56.9	Low	127 Å²	127	124.3 Å²	124.3	68%	0.679	62%	0.62	S	S	*	*	H	α-helix	trans	-71.9	-26.8	174	-78.8	-18.1	0	0	0	113.9	N90 K96	N90-D92 PolarHBondContact O-N 3.2Å; N90-D92 VanDerWaalsContact O-N 3.17Å; D92-K96 WeakPolarHBondContact O-CB 3.42Å
93	A	65.7	Low	59.1	Low	57 Å²	57	123.8 Å²	123.8	47%	0.471	61%	0.605	S	S	.	*	H	α-helix	trans	-84.4	-42.5	177	0	0	0	0	0	111.2	N90 K96 L97	N90-A93 WeakPolarHBondContact O-CA 3.38Å; N90-A93 WeakPolarHBondContact O-CB 3.47Å; N90-A93 PolarHBondContact O-N 3.19Å; A93-K96 PolarHBondContact O-N 2.96Å; A93-L97 PolarHBondContact O-N 3.07Å
94	E	63.5	Low	60.8	Low	118 Å²	118	119.7 Å²	119.7	55%	0.551	58%	0.58	S	S	*	*	H	α-helix	trans	-60.3	-56.5	175.4	-175.3	167.7	-127.4	0	0	111.1	N90 K96 L97 E98	N90-E94 WeakPolarHBondContact O-CB 3.47Å; N90-E94 PolarHBondContact O-N 3.45Å; E94-K96 PolarHBondContact O-N 3.4Å; E94-K96 VanDerWaalsContact O-N 3.11Å; E94-L97 CarbonylContact O-C 3.47Å; E94-L97 WeakPolarHBondContact O-CA 3.41Å; E94-L97 WeakPolarHBondContact O-CB 3.2Å; E94-L97 PolarHBondContact O-N 3.5Å; E94-E98 PolarHBondContact O-N 3.22Å
95	K	73.5	Confident	62.7	Low	128 Å²	128	118.6 Å²	118.6	56%	0.557	57%	0.568	S	S	*	*	H	α-helix	trans	-58	-28.7	175.6	-172.2	172.6	-175.1	173.2	0	113.5	K91 E98 E99	K91-K95 WeakPolarHBondContact O-CB 3.38Å; K91-K95 PolarHBondContact O-N 3.39Å; K95-E98 WeakPolarHBondContact CA-OE2 3.48Å; K95-E99 WeakPolarHBondContact O-CB 3.49Å; K95-E99 WeakPolarHBondContact O-CG 3.46Å; K95-E99 PolarHBondContact O-N 3.11Å
96	K	75.3	Confident	64.8	Low	148 Å²	148	117 Å²	117	64%	0.643	56%	0.558	S	S	*	*	H	α-helix	trans	-78.6	-31.6	176	-171.9	175.7	-175.5	178	0	112.7	D92 A93 E94 E100	D92-K96 WeakPolarHBondContact O-CB 3.42Å; A93-K96 PolarHBondContact O-N 2.96Å; E94-K96 PolarHBondContact O-N 3.4Å; E94-K96 VanDerWaalsContact O-N 3.11Å; K96-E100 PolarHBondContact O-N 3.39Å
97	L	72	Confident	66.9	Low	89 Å²	89	116.8 Å²	116.8	47%	0.466	55%	0.552	S	S	.	*	H	α-helix	trans	-70.1	-43.2	169.4	-179.2	63.8	0	0	0	110.6	A93 E94 E100 M101	A93-L97 PolarHBondContact O-N 3.07Å; E94-L97 CarbonylContact O-C 3.47Å; E94-L97 WeakPolarHBondContact O-CA 3.41Å; E94-L97 WeakPolarHBondContact O-CB 3.2Å; E94-L97 PolarHBondContact O-N 3.5Å; L97-E100 PolarHBondContact O-N 3.07Å; L97-M101 HydrophobicContact CD1-CE 4.26Å; L97-M101 HydrophobicContact CG-CE 4.3Å; L97-M101 WeakPolarHBondContact O-CG 3.07Å; L97-M101 PolarHBondContact O-N 3.23Å
98	E	72.4	Confident	68.5	Low	124 Å²	124	112.6 Å²	112.6	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-56.8	-50.1	170.2	-67.9	-176	126.4	0	0	111	E94 K95 E100 M101 Q102	E94-E98 PolarHBondContact O-N 3.22Å; K95-E98 WeakPolarHBondContact CA-OE2 3.48Å; E98-E100 VanDerWaalsContact C-N 3.28Å; E98-E100 PolarHBondContact O-N 3.09Å; E98-M101 PolarHBondContact O-N 3.34Å; E98-Q102 VanDerWaalsContact O-CB 3.29Å; E98-Q102 WeakPolarHBondContact O-CB 3.47Å; E98-Q102 PolarHBondContact O-N 3.35Å
99	E	76	Confident	70.1	Confident	91 Å²	91	110.1 Å²	110.1	43%	0.425	52%	0.515	S	S	.	.	H	α-helix	trans	-57.2	-38.6	175	-88.1	-171.2	-139.2	0	0	112.6	K95 K103	K95-E99 WeakPolarHBondContact O-CB 3.49Å; K95-E99 WeakPolarHBondContact O-CG 3.46Å; K95-E99 PolarHBondContact O-N 3.11Å; E99-K103 VanDerWaalsContact O-CB 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.22Å; E99-K103 WeakPolarHBondContact O-CD 3.39Å; E99-K103 WeakPolarHBondContact O-CG 3.38Å; E99-K103 PolarHBondContact O-N 3.14Å; E99-K103 IonicContact OE2-NZ 2.58Å; E99-K103 PolarHBondContact OE2-NZ 3.32Å
100	E	75.3	Confident	71.7	Confident	127 Å²	127	112.3 Å²	112.3	59%	0.593	52%	0.518	S	S	*	.	H	α-helix	trans	-73.6	-37.5	177.1	-174.4	162.3	-173.1	0	0	112.3	K96 L97 E98 R104	K96-E100 PolarHBondContact O-N 3.39Å; L97-E100 PolarHBondContact O-N 3.07Å; E98-E100 VanDerWaalsContact C-N 3.28Å; E98-E100 PolarHBondContact O-N 3.09Å; E100-R104 WeakPolarHBondContact O-CB 3.43Å; E100-R104 PolarHBondContact O-N 2.79Å
101	M	71	Confident	72.8	Confident	74 Å²	74	110.7 Å²	110.7	37%	0.365	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-44.2	172.3	-71.9	-151.4	-174.6	0	0	111.4	L97 E98 R104 K105 P579	L97-M101 HydrophobicContact CD1-CE 4.26Å; L97-M101 HydrophobicContact CG-CE 4.3Å; L97-M101 WeakPolarHBondContact O-CG 3.07Å; L97-M101 PolarHBondContact O-N 3.23Å; E98-M101 PolarHBondContact O-N 3.34Å; M101-R104 CarbonylContact O-C 3.43Å; M101-R104 WeakPolarHBondContact O-CA 3.38Å; M101-R104 WeakPolarHBondContact O-CB 3.1Å; M101-R104 PolarHBondContact O-N 3.47Å; M101-K105 WeakPolarHBondContact O-CB 3.2Å; M101-K105 PolarHBondContact O-N 2.96Å; M101-P579 HydrophobicContact CE-CB 4.09Å
102	Q	74.5	Confident	73.8	Confident	107 Å²	107	109.5 Å²	109.5	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-60.1	-52.7	175.6	-162.3	78.8	-28.1	0	0	110.2	E98 R104 K105 E106	E98-Q102 VanDerWaalsContact O-CB 3.29Å; E98-Q102 WeakPolarHBondContact O-CB 3.47Å; E98-Q102 PolarHBondContact O-N 3.35Å; Q102-R104 PolarHBondContact O-N 2.64Å; Q102-K105 WeakPolarHBondContact O-CB 3.39Å; Q102-K105 PolarHBondContact O-N 3.02Å; Q102-K105 VanDerWaalsContact O-N 3.12Å; Q102-E106 WeakPolarHBondContact O-CB 3.25Å; Q102-E106 VanDerWaalsContact O-CG 3.3Å; Q102-E106 WeakPolarHBondContact O-CG 3.29Å; Q102-E106 PolarHBondContact O-N 2.89Å
103	K	80.8	Confident	74.2	Confident	93 Å²	93	105.7 Å²	105.7	40%	0.404	48%	0.481	S	S	.	.	H	α-helix	trans	-64.5	-13.2	175	-67.4	163.2	-160.6	167.9	0	113.2	E99 R107	E99-K103 VanDerWaalsContact O-CB 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.22Å; E99-K103 WeakPolarHBondContact O-CD 3.39Å; E99-K103 WeakPolarHBondContact O-CG 3.38Å; E99-K103 PolarHBondContact O-N 3.14Å; E99-K103 IonicContact OE2-NZ 2.58Å; E99-K103 PolarHBondContact OE2-NZ 3.32Å; K103-R107 WeakPolarHBondContact O-CG 3.39Å; K103-R107 PolarHBondContact O-NE 2.97Å; K103-R107 PolarHBondContact O-NH2 3.17Å
104	R	72.3	Confident	74.7	Confident	84 Å²	84	107.9 Å²	107.9	32%	0.317	48%	0.481	S	S	.	.	H	α-helix	trans	-91.8	-41.2	172.3	-172.8	170.5	-177.7	179.7	-4.3	111.6	E100 M101 Q102 R107 I108 S594 D598	E100-R104 WeakPolarHBondContact O-CB 3.43Å; E100-R104 PolarHBondContact O-N 2.79Å; M101-R104 CarbonylContact O-C 3.43Å; M101-R104 WeakPolarHBondContact O-CA 3.38Å; M101-R104 WeakPolarHBondContact O-CB 3.1Å; M101-R104 PolarHBondContact O-N 3.47Å; Q102-R104 PolarHBondContact O-N 2.64Å; R104-R107 PolarHBondContact O-N 3.45Å; R104-I108 HydrophobicContact CG-CD1 4.07Å; R104-I108 WeakPolarHBondContact O-CG1 3.43Å; R104-I108 PolarHBondContact O-N 3.34Å; R104-S594 PolarHBondContact NH2-OG 3.32Å; R104-D598 IonicContact CZ-OD1 3.56Å; R104-D598 IonicContact CZ-OD2 3.31Å; R104-D598 VanDerWaalsContact CZ-OD2 3.31Å; R104-D598 VanDerWaalsContact NH1-CG 3.35Å; R104-D598 IonicContact NH1-OD1 2.98Å; R104-D598 PolarHBondContact NH1-OD1 2.58Å; R104-D598 IonicContact NH1-OD2 3.38Å; R104-D598 PolarHBondContact NH1-OD2 3.11Å; R104-D598 VanDerWaalsContact NH2-CG 3.3Å; R104-D598 IonicContact NH2-OD1 3.21Å; R104-D598 PolarHBondContact NH2-OD1 2.87Å; R104-D598 IonicContact NH2-OD2 2.66Å; R104-D598 PolarHBondContact NH2-OD2 2.88Å
105	K	75.1	Confident	75.3	Confident	133 Å²	133	109 Å²	109	58%	0.578	48%	0.481	S	S	*	.	H	α-helix	trans	-57.1	-53.1	170.1	-173	179.3	178.4	-176.8	0	109.5	M101 Q102 R107 I108 E109	M101-K105 WeakPolarHBondContact O-CB 3.2Å; M101-K105 PolarHBondContact O-N 2.96Å; Q102-K105 WeakPolarHBondContact O-CB 3.39Å; Q102-K105 PolarHBondContact O-N 3.02Å; Q102-K105 VanDerWaalsContact O-N 3.12Å; K105-R107 VanDerWaalsContact C-N 3.32Å; K105-R107 PolarHBondContact O-N 3.4Å; K105-I108 PolarHBondContact O-N 3.36Å; K105-I108 VanDerWaalsContact O-N 3.17Å; K105-E109 WeakPolarHBondContact O-CB 3.37Å; K105-E109 PolarHBondContact O-N 3.27Å
106	E	78.8	Confident	75.2	Confident	107 Å²	107	110 Å²	110	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-52.5	-43	171.9	-72.9	169.6	-164.7	0	0	113.1	Q102 R110	Q102-E106 WeakPolarHBondContact O-CB 3.25Å; Q102-E106 VanDerWaalsContact O-CG 3.3Å; Q102-E106 WeakPolarHBondContact O-CG 3.29Å; Q102-E106 PolarHBondContact O-N 2.89Å; E106-R110 WeakPolarHBondContact O-CB 3.36Å; E106-R110 PolarHBondContact O-N 2.77Å
107	R	79	Confident	75.1	Confident	155 Å²	155	104.8 Å²	104.8	59%	0.585	47%	0.465	S	S	*	.	H	α-helix	trans	-69.1	-41.6	178.7	-91.3	179.5	-70.4	173.1	0.7	112.5	K103 R104 K105 W111	K103-R107 WeakPolarHBondContact O-CG 3.39Å; K103-R107 PolarHBondContact O-NE 2.97Å; K103-R107 PolarHBondContact O-NH2 3.17Å; R104-R107 PolarHBondContact O-N 3.45Å; K105-R107 VanDerWaalsContact C-N 3.32Å; K105-R107 PolarHBondContact O-N 3.4Å; R107-W111 VanDerWaalsContact O-CB 3.27Å; R107-W111 WeakPolarHBondContact O-CB 3.39Å; R107-W111 PolarHBondContact O-N 3.46Å
108	I	73	Confident	75.1	Confident	44 Å²	44	108.5 Å²	108.5	23%	0.226	47%	0.473	C	S	.	.	H	α-helix	trans	-67.6	-44.7	176.8	-68.3	166.5	0	0	0	109.6	R104 K105 W111 R112	R104-I108 HydrophobicContact CG-CD1 4.07Å; R104-I108 WeakPolarHBondContact O-CG1 3.43Å; R104-I108 PolarHBondContact O-N 3.34Å; K105-I108 PolarHBondContact O-N 3.36Å; K105-I108 VanDerWaalsContact O-N 3.17Å; I108-W111 CarbonylContact O-C 3.49Å; I108-W111 PolarHBondContact O-N 3.23Å; I108-R112 HydrophobicContact CG2-CG 4.35Å; I108-R112 WeakPolarHBondContact O-CB 3.29Å; I108-R112 WeakPolarHBondContact O-CG 3.36Å; I108-R112 PolarHBondContact O-N 3.35Å
109	E	75.4	Confident	74.6	Confident	98 Å²	98	107.9 Å²	107.9	46%	0.458	47%	0.473	S	S	.	.	H	α-helix	trans	-63.6	-46.5	177.7	-175.9	135.3	-121.3	0	0	111.8	K105 W111 R112 A113	K105-E109 WeakPolarHBondContact O-CB 3.37Å; K105-E109 PolarHBondContact O-N 3.27Å; E109-W111 VanDerWaalsContact C-N 3.31Å; E109-W111 PolarHBondContact O-N 2.95Å; E109-R112 CarbonylContact O-C 3.57Å; E109-R112 PolarHBondContact O-N 3.05Å; E109-A113 WeakPolarHBondContact O-CB 3.45Å; E109-A113 PolarHBondContact O-N 2.85Å
110	R	78.5	Confident	73.9	Confident	201 Å²	201	106.5 Å²	106.5	76%	0.758	47%	0.468	S	S	*	.	H	α-helix	trans	-63.6	-34.6	174.3	-165.3	176.7	-157.7	148.6	5.5	112.1	E106 E114	E106-R110 WeakPolarHBondContact O-CB 3.36Å; E106-R110 PolarHBondContact O-N 2.77Å; R110-E114 VanDerWaalsContact O-CB 3.28Å; R110-E114 WeakPolarHBondContact O-CB 3.49Å; R110-E114 PolarHBondContact O-N 3.42Å
111	W	76.5	Confident	72.7	Confident	96 Å²	96	101.6 Å²	101.6	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-73.5	-39.7	173	-177	85.8	0	0	0	112.7	R107 I108 E109 A113 E114 R115 F590	R107-W111 VanDerWaalsContact O-CB 3.27Å; R107-W111 WeakPolarHBondContact O-CB 3.39Å; R107-W111 PolarHBondContact O-N 3.46Å; I108-W111 CarbonylContact O-C 3.49Å; I108-W111 PolarHBondContact O-N 3.23Å; E109-W111 VanDerWaalsContact C-N 3.31Å; E109-W111 PolarHBondContact O-N 2.95Å; W111-A113 VanDerWaalsContact C-N 3.3Å; W111-E114 PolarHBondContact O-N 3.12Å; W111-R115 VanDerWaalsContact CH2-NH1 3.26Å; W111-R115 WeakPolarHBondContact O-CB 3.26Å; W111-R115 PolarHBondContact O-N 2.92Å; W111-F590 HydrophobicContact CE3-CE1 4.42Å; W111-F590 HydrophobicContact CH2-CD1 4.13Å; W111-F590 HydrophobicContact CH2-CD2 4.41Å; W111-F590 HydrophobicContact CH2-CE1 4.1Å; W111-F590 HydrophobicContact CH2-CE2 4.38Å; W111-F590 HydrophobicContact CH2-CG 4.29Å; W111-F590 HydrophobicContact CH2-CZ 4.22Å; W111-F590 AromaticContact CZ3-CD1 3.87Å; W111-F590 HydrophobicContact CZ3-CD1 3.87Å; W111-F590 AromaticContact CZ3-CE1 3.91Å; W111-F590 HydrophobicContact CZ3-CE1 3.91Å; W111-F590 HydrophobicContact CZ3-CG 4.4Å; W111-F590 HydrophobicContact CZ3-CZ 4.47Å
112	R	74	Confident	71.6	Confident	98 Å²	98	107 Å²	107	37%	0.37	47%	0.469	S	S	.	.	H	α-helix	trans	-64.7	-35.8	171.3	-73.4	-172	-164.1	152.3	10	110.8	I108 E109 R116 D591	I108-R112 HydrophobicContact CG2-CG 4.35Å; I108-R112 WeakPolarHBondContact O-CB 3.29Å; I108-R112 WeakPolarHBondContact O-CG 3.36Å; I108-R112 PolarHBondContact O-N 3.35Å; E109-R112 CarbonylContact O-C 3.57Å; E109-R112 PolarHBondContact O-N 3.05Å; R112-R116 VanDerWaalsContact O-CB 3.23Å; R112-R116 WeakPolarHBondContact O-CB 3.4Å; R112-R116 VanDerWaalsContact O-CG 3.3Å; R112-R116 WeakPolarHBondContact O-CG 3.35Å; R112-R116 PolarHBondContact O-N 3.19Å; R112-D591 IonicContact CZ-OD1 3.46Å; R112-D591 IonicContact CZ-OD2 2.66Å; R112-D591 VanDerWaalsContact CZ-OD2 3.28Å; R112-D591 IonicContact NE-OD1 2.65Å; R112-D591 IonicContact NE-OD2 3.22Å; R112-D591 PolarHBondContact NE-OD2 3.37Å; R112-D591 VanDerWaalsContact NE-OD2 3.07Å; R112-D591 IonicContact NH2-OD1 2.73Å; R112-D591 PolarHBondContact NH2-OD1 2.91Å; R112-D591 IonicContact NH2-OD2 2.71Å; R112-D591 PolarHBondContact NH2-OD2 2.82Å
113	A	75.4	Confident	70	Confident	47 Å²	47	107.6 Å²	107.6	39%	0.388	48%	0.48	S	S	.	.	H	α-helix	trans	-71.4	-45.6	175.5	0	0	0	0	0	111	E109 W111 R115 R116 A117	E109-A113 WeakPolarHBondContact O-CB 3.45Å; E109-A113 PolarHBondContact O-N 2.85Å; W111-A113 VanDerWaalsContact C-N 3.3Å; A113-R115 VanDerWaalsContact C-N 3.32Å; A113-R115 PolarHBondContact O-N 3.02Å; A113-R116 PolarHBondContact O-N 3.3Å; A113-A117 WeakPolarHBondContact O-CA 3.4Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 3.19Å
114	E	77.4	Confident	68.1	Low	103 Å²	103	105.1 Å²	105.1	48%	0.481	47%	0.473	S	S	.	.	H	α-helix	trans	-63.3	-38.3	173.3	-170.1	-172.5	175.3	0	0	111.3	R110 W111 A117 R118	R110-E114 VanDerWaalsContact O-CB 3.28Å; R110-E114 WeakPolarHBondContact O-CB 3.49Å; R110-E114 PolarHBondContact O-N 3.42Å; W111-E114 PolarHBondContact O-N 3.12Å; E114-A117 CarbonylContact O-C 3.59Å; E114-R118 WeakPolarHBondContact O-CB 3.45Å; E114-R118 WeakPolarHBondContact O-CG 3.38Å; E114-R118 PolarHBondContact O-N 2.94Å
115	R	74.9	Confident	66.6	Low	142 Å²	142	108.7 Å²	108.7	54%	0.536	49%	0.494	S	S	.	.	H	α-helix	trans	-71	-42.9	176.9	-175.8	171.5	176.1	138.1	-3.9	112.3	W111 A113 R118 L119	W111-R115 VanDerWaalsContact CH2-NH1 3.26Å; W111-R115 WeakPolarHBondContact O-CB 3.26Å; W111-R115 PolarHBondContact O-N 2.92Å; A113-R115 VanDerWaalsContact C-N 3.32Å; A113-R115 PolarHBondContact O-N 3.02Å; R115-R118 PolarHBondContact O-N 2.84Å; R115-L119 HydrophobicContact CG-CD1 4.31Å; R115-L119 WeakPolarHBondContact O-CB 3.34Å; R115-L119 PolarHBondContact O-N 3.07Å
116	R	72.4	Confident	64.9	Low	148 Å²	148	106.5 Å²	106.5	56%	0.558	50%	0.5	S	S	*	.	H	α-helix	trans	-60.9	-51	169.6	-80.5	-171.9	-78.6	-163.7	1.9	109.6	R112 A113 R118 L119 I120	R112-R116 VanDerWaalsContact O-CB 3.23Å; R112-R116 WeakPolarHBondContact O-CB 3.4Å; R112-R116 VanDerWaalsContact O-CG 3.3Å; R112-R116 WeakPolarHBondContact O-CG 3.35Å; R112-R116 PolarHBondContact O-N 3.19Å; A113-R116 PolarHBondContact O-N 3.3Å; R116-R118 PolarHBondContact O-N 2.82Å; R116-L119 PolarHBondContact O-N 2.97Å; R116-I120 HydrophobicContact CB-CD1 4.43Å; R116-I120 WeakPolarHBondContact O-CB 3.04Å; R116-I120 WeakPolarHBondContact O-CG1 3.44Å; R116-I120 PolarHBondContact O-N 2.75Å
117	A	72.5	Confident	62.5	Low	39 Å²	39	105.9 Å²	105.9	32%	0.322	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-23.3	177	0	0	0	0	0	113.9	A113 E114 S121 K127	A113-A117 WeakPolarHBondContact O-CA 3.4Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 3.19Å; E114-A117 CarbonylContact O-C 3.59Å; A117-S121 WeakPolarHBondContact O-CA 3.46Å; A117-S121 WeakPolarHBondContact O-CB 3.3Å; A117-S121 PolarHBondContact O-N 2.95Å; A117-K127 PolarHBondContact O-NZ 3.4Å
118	R	71.7	Confident	60.3	Low	168 Å²	168	102.7 Å²	102.7	63%	0.634	50%	0.502	S	S	*	.	H	α-helix	trans	-85.8	-36.9	171.7	-90.9	-177.4	161.6	178.2	-1.9	114.5	E114 R115 R116 S121 K122	E114-R118 WeakPolarHBondContact O-CB 3.45Å; E114-R118 WeakPolarHBondContact O-CG 3.38Å; E114-R118 PolarHBondContact O-N 2.94Å; R115-R118 PolarHBondContact O-N 2.84Å; R116-R118 PolarHBondContact O-N 2.82Å; R118-S121 CarbonylContact O-C 3.58Å; R118-S121 PolarHBondContact O-N 3.48Å; R118-K122 WeakPolarHBondContact O-CG 3.39Å; R118-K122 PolarHBondContact O-N 3.04Å
119	L	63	Low	58.3	Low	110 Å²	110	108.2 Å²	108.2	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-62.3	-54.1	167.9	-92.4	149	0	0	0	108.8	R115 R116 S121 K122 T123	R115-L119 HydrophobicContact CG-CD1 4.31Å; R115-L119 WeakPolarHBondContact O-CB 3.34Å; R115-L119 PolarHBondContact O-N 3.07Å; R116-L119 PolarHBondContact O-N 2.97Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 2.82Å; L119-K122 PolarHBondContact O-N 3.21Å; L119-T123 PolarHBondContact O-N 3.21Å; L119-T123 PolarHBondContact O-OG1 3.23Å
120	I	61.1	Low	56.4	Low	63 Å²	63	109.6 Å²	109.6	32%	0.323	54%	0.536	S	S	.	.	H	α-helix	trans	-53.5	-41.3	167.4	-64.6	166.4	0	0	0	109.7	R116 K122 T123 T124 W129	R116-I120 HydrophobicContact CB-CD1 4.43Å; R116-I120 WeakPolarHBondContact O-CB 3.04Å; R116-I120 WeakPolarHBondContact O-CG1 3.44Å; R116-I120 PolarHBondContact O-N 2.75Å; I120-K122 PolarHBondContact O-N 2.96Å; I120-T123 PolarHBondContact O-N 3.27Å; I120-T124 WeakPolarHBondContact CG2-OG1 3.46Å; I120-T124 CarbonylContact O-C 3.54Å; I120-T124 WeakPolarHBondContact O-CA 3.5Å; I120-T124 VanDerWaalsContact O-CB 3.31Å; I120-T124 WeakPolarHBondContact O-CB 3.2Å; I120-T124 PolarHBondContact O-N 2.87Å; I120-T124 PolarHBondContact O-OG1 3.43Å; I120-W129 HydrophobicContact CD1-CZ2 4.3Å; I120-W129 HydrophobicContact CG2-CZ2 4.05Å
121	S	50.5	Low	54.2	Low	23 Å²	23	107 Å²	107	16%	0.161	54%	0.536	C	S	.	.	H	α-helix	trans	-67.6	-14.7	175.8	-150.4	0	0	0	0	115.5	A117 R118 L119 T124 Q125 K127	A117-S121 WeakPolarHBondContact O-CA 3.46Å; A117-S121 WeakPolarHBondContact O-CB 3.3Å; A117-S121 PolarHBondContact O-N 2.95Å; R118-S121 CarbonylContact O-C 3.58Å; R118-S121 PolarHBondContact O-N 3.48Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 2.82Å; S121-T124 CarbonylContact O-C 3.56Å; S121-Q125 WeakPolarHBondContact O-CB 3.46Å; S121-Q125 VanDerWaalsContact O-CG 3.29Å; S121-Q125 WeakPolarHBondContact O-CG 3.44Å; S121-Q125 PolarHBondContact O-N 2.82Å; S121-Q125 PolarHBondContact O-OE1 3.34Å; S121-K127 PolarHBondContact OG-NZ 3.23Å
122	K	48	Very low	52.3	Low	188 Å²	188	111 Å²	111	82%	0.817	56%	0.559	S	S	*	*	H	α-helix	trans	-97.5	-27.9	177.2	-75.9	-170.9	170	-159.5	0	112.5	R118 L119 I120	R118-K122 WeakPolarHBondContact O-CG 3.39Å; R118-K122 PolarHBondContact O-N 3.04Å; L119-K122 PolarHBondContact O-N 3.21Å; I120-K122 PolarHBondContact O-N 2.96Å
123	T	40.1	Very low	50.4	Low	119 Å²	119	112.2 Å²	112.2	73%	0.73	57%	0.573	S	S	*	*	H	α-helix	trans	-81.2	-38.2	167.7	-44.4	0	0	0	0	111.4	L119 I120	L119-T123 PolarHBondContact O-N 3.21Å; L119-T123 PolarHBondContact O-OG1 3.23Å; I120-T123 PolarHBondContact O-N 3.27Å
124	T	40.3	Very low	48.4	Very low	41 Å²	41	117.5 Å²	117.5	25%	0.252	60%	0.595	S	S	.	*			trans	-115.7	67	175.4	67.2	0	0	0	0	109.4	I120 S121 A126 K127	I120-T124 WeakPolarHBondContact CG2-OG1 3.46Å; I120-T124 CarbonylContact O-C 3.54Å; I120-T124 WeakPolarHBondContact O-CA 3.5Å; I120-T124 VanDerWaalsContact O-CB 3.31Å; I120-T124 WeakPolarHBondContact O-CB 3.2Å; I120-T124 PolarHBondContact O-N 2.87Å; I120-T124 PolarHBondContact O-OG1 3.43Å; S121-T124 CarbonylContact O-C 3.56Å; T124-A126 WeakPolarHBondContact CA-O 3.3Å; T124-A126 WeakPolarHBondContact CB-O 3.38Å; T124-K127 WeakPolarHBondContact O-CB 3.45Å; T124-K127 WeakPolarHBondContact O-CD 3.47Å; T124-K127 VanDerWaalsContact O-CE 3.3Å; T124-K127 WeakPolarHBondContact O-CE 3.44Å; T124-K127 WeakPolarHBondContact O-CG 3.27Å
125	Q	41.4	Very low	46.3	Very low	160 Å²	160	115.9 Å²	115.9	75%	0.748	60%	0.598	S	S	*	*	S	Bend	trans	-98.7	5.9	137.4	-101	178.1	-67.9	0	0	112.7	S121 K127	S121-Q125 WeakPolarHBondContact O-CB 3.46Å; S121-Q125 VanDerWaalsContact O-CG 3.29Å; S121-Q125 WeakPolarHBondContact O-CG 3.44Å; S121-Q125 PolarHBondContact O-N 2.82Å; S121-Q125 PolarHBondContact O-OE1 3.34Å; Q125-K127 PolarHBondContact O-N 3.19Å
126	A	38.5	Very low	44.2	Very low	86 Å²	86	117.3 Å²	117.3	71%	0.711	61%	0.611	S	S	*	*	S	Bend		-73.7	76.1	123.2	0	0	0	0	0	110.2	T124	T124-A126 WeakPolarHBondContact CA-O 3.3Å; T124-A126 WeakPolarHBondContact CB-O 3.38Å
127	K	29.7	Very low	42.3	Very low	95 Å²	95	116.3 Å²	116.3	41%	0.413	62%	0.617	S	S	.	*			trans	-101.5	162.3	175	-122.8	162.6	-159.4	178.2	0	108.9	A117 S121 T124 Q125	A117-K127 PolarHBondContact O-NZ 3.4Å; S121-K127 PolarHBondContact OG-NZ 3.23Å; T124-K127 WeakPolarHBondContact O-CB 3.45Å; T124-K127 WeakPolarHBondContact O-CD 3.47Å; T124-K127 VanDerWaalsContact O-CE 3.3Å; T124-K127 WeakPolarHBondContact O-CE 3.44Å; T124-K127 WeakPolarHBondContact O-CG 3.27Å; Q125-K127 PolarHBondContact O-N 3.19Å
128	A	31.3	Very low	40.4	Very low	87 Å²	87	121 Å²	121	72%	0.719	64%	0.637	S	S	*	*			cis	-146.7	148.9	21	0	0	0	0	0	109.6
129	W	32.6	Very low	38.4	Very low	160 Å²	160	120.9 Å²	120.9	61%	0.606	64%	0.643	S	S	*	*				83.8	152.8	56.2	-91.7	78	0	0	0	115.5	I120	I120-W129 HydrophobicContact CD1-CZ2 4.3Å; I120-W129 HydrophobicContact CG2-CZ2 4.05Å
130	T	34.1	Very low	36.7	Very low	128 Å²	128	121.6 Å²	121.6	79%	0.785	65%	0.648	S	S	*	*			trans	83	122.3	-173.5	66.3	0	0	0	0	116.5
131	L	33.4	Very low	35.2	Very low	147 Å²	147	126.4 Å²	126.4	77%	0.77	67%	0.674	S	S	*	*			cis	86.8	110	24.3	-167.2	83.9	0	0	0	115
132	E	35.9	Very low	34	Very low	178 Å²	178	134 Å²	134	83%	0.832	71%	0.707	S	S	*	*			trans	178.7	158.7	162.5	-98.5	159.6	-150.3	0	0	105.4
133	D	33.9	Very low	33.2	Very low	125 Å²	125	132.1 Å²	132.1	67%	0.668	71%	0.711	S	S	*	*			cis	-164.5	161.9	-42.5	-97.6	-8	0	0	0	107.4
134	D	34.7	Very low	32.6	Very low	158 Å²	158	134.6 Å²	134.6	85%	0.845	71%	0.714	S	S	*	*			trans	59	171.1	163.2	-60.3	-21.5	0	0	0	119.5
135	A	32.3	Very low	32.1	Very low	68 Å²	68	136.4 Å²	136.4	56%	0.562	74%	0.741	S	S	*	*			cis	-167	163	-42.4	0	0	0	0	0	109.3
136	E	31.6	Very low	31.5	Very low	173 Å²	173	134.9 Å²	134.9	81%	0.808	74%	0.738	S	S	*	*			trans	62.4	161.7	159	-64.1	157	-162.7	0	0	117.1
137	D	31	Very low	31.1	Very low	126 Å²	126	137.1 Å²	137.1	67%	0.674	74%	0.738	S	S	*	*			cis	-161.7	163.9	-28.5	-97.2	-11.6	0	0	0	108.2
138	D	32.7	Very low	31.1	Very low	139 Å²	139	139.2 Å²	139.2	74%	0.743	75%	0.749	S	S	*	*			trans	57.8	161.7	153	-64.7	-10.9	0	0	0	120.9
139	E	30.5	Very low	31	Very low	164 Å²	164	142 Å²	142	77%	0.766	75%	0.75	S	S	*	*			cis	-150.8	-171.1	-22.5	-120.2	-164.2	151.5	0	0	110.5
140	N	26.8	Very low	30.9	Very low	125 Å²	125	138.7 Å²	138.7	67%	0.668	76%	0.758	S	S	*	*			trans	-60.7	164.1	-173.2	-44.4	-79.1	0	0	0	117.1
141	D	29.8	Very low	30.6	Very low	164 Å²	164	140.5 Å²	140.5	88%	0.877	76%	0.762	S	S	*	*				-162.7	136	116.2	-111.2	-14.2	0	0	0	112.7
142	E	26	Very low	30.5	Very low	183 Å²	183	137.3 Å²	137.3	86%	0.855	77%	0.765	S	S	*	*			trans	-109.6	145.5	174.3	-61.7	-177.2	132.3	0	0	110.6
143	V	30.3	Very low	30.2	Very low	148 Å²	148	136.8 Å²	136.8	90%	0.897	76%	0.763	S	S	*	*			trans	-142.7	129.7	158.9	-169.7	0	0	0	0	110.9
144	E	27.2	Very low	30	Very low	172 Å²	172	138.1 Å²	138.1	80%	0.804	77%	0.77	S	S	*	*			trans	-78.6	172.8	-179.6	-55.3	179	104	0	0	114.2
145	G	30.1	Very low	29.8	Very low	78 Å²	78	134 Å²	134	80%	0.804	76%	0.757	S	S	*	*			trans	-168.2	65.6	175.2	0	0	0	0	0	114.3
146	N	28.2	Very low	29.9	Very low	129 Å²	129	138.4 Å²	138.4	69%	0.69	77%	0.77	S	S	*	*			trans	-71.4	148.1	-178.6	-68.4	-51.8	0	0	0	114.2
147	N	30.6	Very low	30	Very low	132 Å²	132	136 Å²	136	71%	0.706	77%	0.77	S	S	*	*				156.4	150.4	125.3	-89.1	27.4	0	0	0	111.1
148	E	29.1	Very low	29.9	Very low	140 Å²	140	136.1 Å²	136.1	65%	0.654	78%	0.775	S	S	*	*			cis	-179.6	136.2	-19	-110.4	-172.4	144.5	0	0	105.5
149	I	30.9	Very low	29.9	Very low	144 Å²	144	135.7 Å²	135.7	74%	0.738	78%	0.777	S	S	*	*			trans	56.9	121.4	132.4	-57.7	169.2	0	0	0	121.1
150	A	30.4	Very low	29.8	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	78%	0.781	S	S	*	*				-173.8	129.3	121.1	0	0	0	0	0	112.2
151	N	27.7	Very low	30	Very low	165 Å²	165	134.9 Å²	134.9	88%	0.882	79%	0.785	S	S	*	*			trans	-96.7	164.8	176.8	-71.5	-15.4	0	0	0	112.5
152	G	31.2	Very low	30	Very low	81 Å²	81	132.9 Å²	132.9	84%	0.835	78%	0.778	S	S	*	*			trans	-167.8	91	170.5	0	0	0	0	0	113.2
153	E	29.5	Very low	30.1	Very low	167 Å²	167	130 Å²	130	78%	0.78	77%	0.773	S	S	*	*			trans	-101.7	176.3	-178.9	-63.8	-177.6	111.9	0	0	113.5
154	N	30.5	Very low	30	Very low	152 Å²	152	127.9 Å²	127.9	81%	0.813	76%	0.761	S	S	*	*			trans	94.8	150.7	160.5	-53.4	-77.8	0	0	0	118.8
155	A	29	Very low	30.1	Very low	71 Å²	71	127.5 Å²	127.5	59%	0.587	76%	0.759	S	S	*	*			cis	-179.3	135.9	-35.8	0	0	0	0	0	111.6
156	I	34.5	Very low	29.9	Very low	161 Å²	161	131.5 Å²	131.5	83%	0.826	76%	0.757	S	S	*	*			trans	67.9	166.8	141.6	-68.5	170.3	0	0	0	115.4
157	P	34.7	Very low	29.9	Very low	124 Å²	124	131.4 Å²	131.4	81%	0.805	76%	0.761	S	S	*	*			cis	-125	-178.8	0.9	17.9	8.9	0	0	0	118.7
158	T	28.8	Very low	29.8	Very low	128 Å²	128	129.9 Å²	129.9	79%	0.785	77%	0.767	S	S	*	*			trans	-94.5	156.4	-178.2	-45.5	0	0	0	0	115.9
159	V	32.4	Very low	29.9	Very low	130 Å²	130	131.3 Å²	131.3	79%	0.788	78%	0.779	S	S	*	*			trans	-148.6	116.1	153.9	-163.8	0	0	0	0	107.1
160	Q	28.9	Very low	30.3	Very low	181 Å²	181	133.5 Å²	133.5	85%	0.846	79%	0.786	S	S	*	*				50.5	139.5	85.7	-62.7	-175.8	-0.5	0	0	115.2
161	A	30	Very low	30.8	Very low	90 Å²	90	133.2 Å²	133.2	74%	0.744	78%	0.776	S	S	*	*			cis	-155.9	-165.8	-11.7	0	0	0	0	0	107.2
162	T	29.4	Very low	31.8	Very low	122 Å²	122	129.8 Å²	129.8	75%	0.748	76%	0.758	S	S	*	*			cis	-150.7	161.3	17.3	52.8	0	0	0	0	110.7
163	V	29.5	Very low	32.6	Very low	123 Å²	123	130.9 Å²	130.9	75%	0.745	75%	0.75	S	S	*	*				47.6	128.9	95.1	-159.1	0	0	0	0	114.7
164	T	28	Very low	33.5	Very low	104 Å²	104	128 Å²	128	64%	0.638	74%	0.739	S	S	*	*			cis	-155.1	162.3	38.7	-20.3	0	0	0	0	114.1
165	E	28.5	Very low	34.7	Very low	163 Å²	163	125.3 Å²	125.3	76%	0.762	73%	0.725	S	S	*	*			trans	35	155.4	141.8	-75.3	150.8	-160.3	0	0	122.7
166	E	27.3	Very low	36.1	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.762	72%	0.722	S	S	*	*			cis	-156.7	164.4	14.2	-138.8	173.3	-169.6	0	0	113.4
167	T	27.3	Very low	36.8	Very low	127 Å²	127	124.4 Å²	124.4	78%	0.779	71%	0.706	S	S	*	*			trans	-0.9	132.6	169.1	54.7	0	0	0	0	124.2
168	A	29	Very low	37.7	Very low	99 Å²	99	122.4 Å²	122.4	82%	0.818	69%	0.687	S	S	*	*			trans	-167.1	155.8	130.9	0	0	0	0	0	111.6
169	D	31.4	Very low	38.8	Very low	171 Å²	171	121.3 Å²	121.3	91%	0.914	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-82.6	124	178.2	-61.1	-79.6	0	0	0	112.8
170	E	38.8	Very low	39.4	Very low	189 Å²	189	121.1 Å²	121.1	88%	0.883	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-103.9	139.2	169.1	-71.8	-166.4	134.8	0	0	112.1
171	P	40.9	Very low	40.3	Very low	86 Å²	86	116.6 Å²	116.6	56%	0.558	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-76.4	160.6	179.2	32.2	-35.6	0	0	0	113.2	P173 L176	P171-P173 WeakPolarHBondContact O-CD 3.46Å; P171-L176 HydrophobicContact CG-CD1 4.32Å; P171-L176 HydrophobicContact CG-CG 4.39Å
172	D	49	Very low	40.9	Very low	94 Å²	94	120.5 Å²	120.5	50%	0.503	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-57.5	125.5	-178.5	-168.5	-29.9	0	0	0	111.2	L174 D175 L176	D172-L174 PolarHBondContact O-N 3.18Å; D172-L174 VanDerWaalsContact OD1-CB 3.25Å; D172-L174 WeakPolarHBondContact OD1-CB 3.12Å; D172-L174 PolarHBondContact OD1-N 2.97Å; D172-D175 PolarHBondContact O-N 3.29Å; D172-L176 PolarHBondContact O-N 2.92Å
173	P	47.7	Very low	41.5	Very low	103 Å²	103	122.5 Å²	122.5	67%	0.669	64%	0.641	S	S	*	*	H	α-helix	trans	-53.1	-25.1	173.6	-28.8	36.2	0	0	0	114.1	P171 F177	P171-P173 WeakPolarHBondContact O-CD 3.46Å; P173-F177 VanDerWaalsContact O-CB 3.27Å; P173-F177 WeakPolarHBondContact O-CB 3.43Å; P173-F177 PolarHBondContact O-N 3.15Å; P173-F177 VanDerWaalsContact O-N 3.07Å
174	L	48.4	Very low	41.9	Very low	106 Å²	106	121.6 Å²	121.6	56%	0.555	64%	0.636	S	S	*	*	H	α-helix	trans	-68.8	-35.5	174	-172.3	64.7	0	0	0	112.6	D172 M178	D172-L174 PolarHBondContact O-N 3.18Å; D172-L174 VanDerWaalsContact OD1-CB 3.25Å; D172-L174 WeakPolarHBondContact OD1-CB 3.12Å; D172-L174 PolarHBondContact OD1-N 2.97Å; L174-M178 VanDerWaalsContact O-CB 3.27Å; L174-M178 WeakPolarHBondContact O-CB 3.48Å; L174-M178 WeakPolarHBondContact O-CG 3.4Å; L174-M178 PolarHBondContact O-N 2.93Å
175	D	55.7	Low	42.2	Very low	96 Å²	96	127.1 Å²	127.1	51%	0.513	65%	0.645	S	S	.	*	H	α-helix	trans	-74.4	-41.3	178	-84.1	-32.9	0	0	0	111	D172 F177 M178 E179	D172-D175 PolarHBondContact O-N 3.29Å; D175-F177 VanDerWaalsContact C-N 3.34Å; D175-F177 PolarHBondContact O-N 3.32Å; D175-M178 CarbonylContact O-C 3.53Å; D175-M178 PolarHBondContact O-N 2.9Å; D175-M178 VanDerWaalsContact O-N 3.11Å; D175-E179 WeakPolarHBondContact O-CG 3.41Å; D175-E179 PolarHBondContact O-N 2.96Å
176	L	58.1	Low	42.2	Very low	99 Å²	99	122.9 Å²	122.9	52%	0.518	65%	0.645	S	S	.	*	H	α-helix	trans	-57.3	-46.1	171.3	-71.8	172.2	0	0	0	111.8	P171 D172 M178 E179 E180	P171-L176 HydrophobicContact CG-CD1 4.32Å; P171-L176 HydrophobicContact CG-CG 4.39Å; D172-L176 PolarHBondContact O-N 2.92Å; L176-M178 VanDerWaalsContact C-N 3.33Å; L176-M178 PolarHBondContact O-N 3.12Å; L176-E179 PolarHBondContact O-N 2.89Å; L176-E180 PolarHBondContact O-N 2.8Å
177	F	48.2	Very low	42.4	Very low	114 Å²	114	123.1 Å²	123.1	50%	0.5	65%	0.651	S	S	.	*	H	α-helix	trans	-65	-33.9	175.4	-176.2	-114.8	0	0	0	112.8	P173 D175 I181	P173-F177 VanDerWaalsContact O-CB 3.27Å; P173-F177 WeakPolarHBondContact O-CB 3.43Å; P173-F177 PolarHBondContact O-N 3.15Å; P173-F177 VanDerWaalsContact O-N 3.07Å; D175-F177 VanDerWaalsContact C-N 3.34Å; D175-F177 PolarHBondContact O-N 3.32Å; F177-I181 HydrophobicContact CD1-CD1 3.99Å; F177-I181 HydrophobicContact CE1-CD1 3.56Å; F177-I181 HydrophobicContact CE2-CD1 4.14Å; F177-I181 HydrophobicContact CG-CD1 4.46Å; F177-I181 HydrophobicContact CZ-CD1 3.66Å; F177-I181 WeakPolarHBondContact O-CG1 3.37Å; F177-I181 PolarHBondContact O-N 2.81Å; F177-I181 VanDerWaalsContact O-N 3.09Å
178	M	53.6	Low	42.9	Very low	82 Å²	82	126.4 Å²	126.4	40%	0.404	66%	0.655	S	S	.	*	H	α-helix	trans	-72.9	-27	174.3	-73.9	-96.7	-78.8	0	0	112.8	L174 D175 L176 R182	L174-M178 VanDerWaalsContact O-CB 3.27Å; L174-M178 WeakPolarHBondContact O-CB 3.48Å; L174-M178 WeakPolarHBondContact O-CG 3.4Å; L174-M178 PolarHBondContact O-N 2.93Å; D175-M178 CarbonylContact O-C 3.53Å; D175-M178 PolarHBondContact O-N 2.9Å; D175-M178 VanDerWaalsContact O-N 3.11Å; L176-M178 VanDerWaalsContact C-N 3.33Å; L176-M178 PolarHBondContact O-N 3.12Å; M178-R182 WeakPolarHBondContact O-CB 3.43Å; M178-R182 VanDerWaalsContact O-CD 3.32Å; M178-R182 WeakPolarHBondContact O-CD 3.45Å; M178-R182 WeakPolarHBondContact O-CG 3.32Å; M178-R182 PolarHBondContact O-N 3.06Å
179	E	53.6	Low	42.9	Very low	106 Å²	106	127.5 Å²	127.5	50%	0.495	65%	0.653	S	S	.	*	H	α-helix	trans	-75.2	-40.5	170.6	-68.8	-159.4	140.4	0	0	112.2	D175 L176 I181 R182 Q183	D175-E179 WeakPolarHBondContact O-CG 3.41Å; D175-E179 PolarHBondContact O-N 2.96Å; L176-E179 PolarHBondContact O-N 2.89Å; E179-I181 VanDerWaalsContact C-N 3.33Å; E179-I181 PolarHBondContact O-N 3.12Å; E179-R182 WeakPolarHBondContact O-CA 3.49Å; E179-R182 WeakPolarHBondContact O-CB 3.46Å; E179-R182 PolarHBondContact O-N 2.93Å; E179-Q183 WeakPolarHBondContact O-CG 3.35Å; E179-Q183 PolarHBondContact O-N 3.06Å
180	E	45.3	Very low	43	Very low	126 Å²	126	128.4 Å²	128.4	59%	0.589	65%	0.652	S	S	*	*	H	α-helix	trans	-59.8	-42.1	173.7	-169.5	175.2	-153.9	0	0	112	L176 R182 Q183 T184	L176-E180 PolarHBondContact O-N 2.8Å; E180-R182 VanDerWaalsContact C-N 3.29Å; E180-R182 PolarHBondContact O-N 2.78Å; E180-Q183 PolarHBondContact O-N 3.28Å; E180-T184 PolarHBondContact O-N 3.2Å; E180-T184 PolarHBondContact O-OG1 3.37Å
181	I	46.9	Very low	42.6	Very low	86 Å²	86	128.2 Å²	128.2	44%	0.441	65%	0.651	S	S	.	*	H	α-helix	trans	-69.3	-24	173.6	-70.7	174.6	0	0	0	112.7	F177 E179 T184	F177-I181 HydrophobicContact CD1-CD1 3.99Å; F177-I181 HydrophobicContact CE1-CD1 3.56Å; F177-I181 HydrophobicContact CE2-CD1 4.14Å; F177-I181 HydrophobicContact CG-CD1 4.46Å; F177-I181 HydrophobicContact CZ-CD1 3.66Å; F177-I181 WeakPolarHBondContact O-CG1 3.37Å; F177-I181 PolarHBondContact O-N 2.81Å; F177-I181 VanDerWaalsContact O-N 3.09Å; E179-I181 VanDerWaalsContact C-N 3.33Å; E179-I181 PolarHBondContact O-N 3.12Å; I181-T184 PolarHBondContact O-OG1 2.75Å
182	R	42.7	Very low	42	Very low	172 Å²	172	130.9 Å²	130.9	65%	0.649	67%	0.665	S	S	*	*	H	α-helix	trans	-79.4	-34.1	174	-79.2	166.9	178.4	172	2.5	112.9	M178 E179 E180 T184	M178-R182 WeakPolarHBondContact O-CB 3.43Å; M178-R182 VanDerWaalsContact O-CD 3.32Å; M178-R182 WeakPolarHBondContact O-CD 3.45Å; M178-R182 WeakPolarHBondContact O-CG 3.32Å; M178-R182 PolarHBondContact O-N 3.06Å; E179-R182 WeakPolarHBondContact O-CA 3.49Å; E179-R182 WeakPolarHBondContact O-CB 3.46Å; E179-R182 PolarHBondContact O-N 2.93Å; E180-R182 VanDerWaalsContact C-N 3.29Å; E180-R182 PolarHBondContact O-N 2.78Å; R182-T184 VanDerWaalsContact C-N 3.32Å
183	Q	42.1	Very low	41.1	Very low	163 Å²	163	129.2 Å²	129.2	76%	0.762	67%	0.671	S	S	*	*	H	α-helix	trans	-73.7	-23.6	179.1	-67.5	-176.4	36.6	0	0	112.9	E179 E180 R185	E179-Q183 WeakPolarHBondContact O-CG 3.35Å; E179-Q183 PolarHBondContact O-N 3.06Å; E180-Q183 PolarHBondContact O-N 3.28Å; Q183-R185 PolarHBondContact O-N 3.3Å
184	T	38.6	Very low	40.1	Very low	104 Å²	104	130.5 Å²	130.5	64%	0.638	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	3.9	-176.3	45.9	0	0	0	0	115.6	E180 I181 R182	E180-T184 PolarHBondContact O-N 3.2Å; E180-T184 PolarHBondContact O-OG1 3.37Å; I181-T184 PolarHBondContact O-OG1 2.75Å; R182-T184 VanDerWaalsContact C-N 3.32Å
185	R	33.6	Very low	39.2	Very low	220 Å²	220	129 Å²	129	83%	0.83	69%	0.692	S	S	*	*	S	Bend	trans	-131.8	68.4	174.9	-72.2	-170.1	172.5	-172	-1.8	113.1	Q183 L187	Q183-R185 PolarHBondContact O-N 3.3Å; R185-L187 PolarHBondContact O-N 2.95Å
186	G	28.5	Very low	38	Very low	75 Å²	75	130 Å²	130	77%	0.773	71%	0.707	S	S	*	*			trans	-67.2	97.2	178.6	0	0	0	0	0	114.6
187	L	31.9	Very low	36.7	Very low	167 Å²	167	131.2 Å²	131.2	87%	0.874	72%	0.724	S	S	*	*			trans	-130.2	97.3	156.1	-79.3	173.3	0	0	0	108.2	R185	R185-L187 PolarHBondContact O-N 2.95Å
188	K	36.5	Very low	35.9	Very low	197 Å²	197	128.7 Å²	128.7	86%	0.857	73%	0.73	S	S	*	*			trans	-71.7	138.2	175.2	-71.7	-175.5	175.5	-176.8	0	110.3
189	P	29.9	Very low	34.9	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	75%	0.749	S	S	*	*			trans	-79.8	137.1	160.4	33.1	-30.7	0	0	0	109.9
190	E	34.1	Very low	33.7	Very low	189 Å²	189	131 Å²	131	88%	0.883	77%	0.765	S	S	*	*			trans	-126.2	153.9	158.7	-76.8	-165.4	149.5	0	0	109.6
191	E	28.5	Very low	33.1	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	78%	0.78	S	S	*	*			trans	-98.4	-166.5	-174.1	-58.8	-172.8	124.9	0	0	111.8
192	V	29.5	Very low	32.2	Very low	141 Å²	141	136.9 Å²	136.9	86%	0.855	80%	0.796	S	S	*	*			trans	79.4	109.7	162.5	-168.6	0	0	0	0	117.5
193	G	30	Very low	31.6	Very low	60 Å²	60	136.3 Å²	136.3	62%	0.619	81%	0.805	S	S	*	*				86.2	96	118.2	0	0	0	0	0	119.3
194	S	27.2	Very low	30.8	Very low	129 Å²	129	136.5 Å²	136.5	90%	0.902	81%	0.808	S	S	*	*			trans	20.1	117.1	134.3	58.6	0	0	0	0	120.1
195	G	29.9	Very low	30.3	Very low	74 Å²	74	138.1 Å²	138.1	76%	0.763	82%	0.817	S	S	*	*			trans	139.8	109.2	138.4	0	0	0	0	0	118.8
196	S	28.9	Very low	30.2	Very low	118 Å²	118	134.4 Å²	134.4	83%	0.825	82%	0.819	S	S	*	*			trans	48.3	109.5	132.4	179.3	0	0	0	0	121.5
197	S	30.4	Very low	30.3	Very low	125 Å²	125	139.8 Å²	139.8	87%	0.874	82%	0.821	S	S	*	*			trans	74.7	138.4	138.4	-163.9	0	0	0	0	120.6
198	G	31.4	Very low	30.4	Very low	61 Å²	61	138.7 Å²	138.7	63%	0.629	82%	0.821	S	S	*	*			trans	134.6	84.3	145.2	0	0	0	0	0	119.8
199	S	33.5	Very low	30.2	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	81%	0.807	S	S	*	*			trans	47.1	101.1	144.1	58.9	0	0	0	0	122.3
200	S	28.5	Very low	30.4	Very low	120 Å²	120	135.1 Å²	135.1	84%	0.839	80%	0.804	S	S	*	*				32.7	126.8	126	-51.8	0	0	0	0	123.2
201	K	32.5	Very low	30.3	Very low	205 Å²	205	133 Å²	133	89%	0.891	79%	0.794	S	S	*	*				-163.2	105.7	126.3	-112	168.2	-175.3	176.5	0	115.5
202	V	27.6	Very low	30.5	Very low	130 Å²	130	132.1 Å²	132.1	79%	0.788	79%	0.787	S	S	*	*			trans	25.4	130.2	138.7	-177	0	0	0	0	120.7
203	I	30.2	Very low	30.6	Very low	160 Å²	160	131.7 Å²	131.7	82%	0.821	78%	0.776	S	S	*	*				-156.9	146.7	126.1	-101.4	153.9	0	0	0	112.7
204	M	26.7	Very low	30.7	Very low	168 Å²	168	137.1 Å²	137.1	83%	0.828	78%	0.782	S	S	*	*			trans	-22.8	153.4	-172.3	-61.3	-173.7	-73	0	0	123.8
205	V	26.9	Very low	31.1	Very low	138 Å²	138	138.1 Å²	138.1	84%	0.836	78%	0.783	S	S	*	*			trans	-135.5	142.1	163.1	172.9	0	0	0	0	108.8
206	T	32.6	Very low	31.1	Very low	141 Å²	141	142.2 Å²	142.2	87%	0.865	78%	0.779	S	S	*	*			trans	-112	154.6	170.1	43.4	0	0	0	0	111.8
207	K	30	Very low	31.3	Very low	189 Å²	189	139.5 Å²	139.5	82%	0.822	77%	0.77	S	S	*	*			trans	-157.4	149.3	-165.4	-172.8	-176.2	-177.5	-175.7	0	111.6
208	V	33.7	Very low	31.5	Very low	144 Å²	144	139 Å²	139	87%	0.873	76%	0.758	S	S	*	*			trans	-133.8	156.6	170.3	-164.8	0	0	0	0	110.4
209	N	32.7	Very low	31.4	Very low	104 Å²	104	143.2 Å²	143.2	56%	0.556	76%	0.764	S	S	*	*			trans	-105.7	-174.8	-169.7	-145.4	22.9	0	0	0	111.1
210	L	34.7	Very low	31.3	Very low	139 Å²	139	144.2 Å²	144.2	73%	0.728	77%	0.765	S	S	*	*			cis	-133.7	162.2	21.6	-81.5	94.3	0	0	0	110.4
211	Q	30.3	Very low	31.5	Very low	144 Å²	144	146 Å²	146	67%	0.673	76%	0.76	S	S	*	*				63.1	133.8	62.1	-50.2	-176.7	-19.5	0	0	114.9
212	K	33.5	Very low	31.5	Very low	168 Å²	168	143.2 Å²	143.2	73%	0.73	75%	0.751	S	S	*	*			cis	-144.8	144.6	35	-75.9	-179.8	177.4	179.6	0	113
213	E	32.2	Very low	31.5	Very low	133 Å²	133	144.2 Å²	144.2	62%	0.621	75%	0.751	S	S	*	*				66.6	145.1	90.5	-54.3	-163.6	114	0	0	117.3
214	K	32.2	Very low	31.7	Very low	174 Å²	174	141.4 Å²	141.4	76%	0.757	75%	0.752	S	S	*	*			cis	-170.9	-175	-8.7	-115.2	178.1	-176.7	156.2	0	112.4
215	V	34.3	Very low	31.8	Very low	149 Å²	149	141.3 Å²	141.3	90%	0.903	76%	0.755	S	S	*	*			trans	112.5	151.2	161.6	-176.7	0	0	0	0	115.3
216	K	29.6	Very low	32.2	Very low	160 Å²	160	139.2 Å²	139.2	70%	0.696	75%	0.752	S	S	*	*			trans	-164	143.1	-169.2	177	-95.7	179.4	-178.7	0	114.3	D218	K216-D218 WeakPolarHBondContact CE-OD1 3.46Å; K216-D218 IonicContact NZ-OD1 2.69Å; K216-D218 PolarHBondContact NZ-OD1 3.02Å; K216-D218 IonicContact NZ-OD2 2.64Å; K216-D218 PolarHBondContact NZ-OD2 3.38Å
217	G	34.5	Very low	32.1	Very low	62 Å²	62	140.1 Å²	140.1	64%	0.639	75%	0.751	S	S	*	*			trans	178.5	132.3	164.5	0	0	0	0	0	109.4
218	D	33.7	Very low	32.3	Very low	113 Å²	113	139.4 Å²	139.4	60%	0.604	75%	0.75	S	S	*	*			cis	80.8	135.7	49.9	-66	-13.3	0	0	0	113.3	K216	K216-D218 WeakPolarHBondContact CE-OD1 3.46Å; K216-D218 IonicContact NZ-OD1 2.69Å; K216-D218 PolarHBondContact NZ-OD1 3.02Å; K216-D218 IonicContact NZ-OD2 2.64Å; K216-D218 PolarHBondContact NZ-OD2 3.38Å
219	I	29.5	Very low	32.2	Very low	150 Å²	150	143 Å²	143	77%	0.769	75%	0.75	S	S	*	*			cis	-170.8	178.8	-21.6	-132.4	165.3	0	0	0	108.4
220	V	32.3	Very low	32.2	Very low	137 Å²	137	143.7 Å²	143.7	83%	0.83	76%	0.763	S	S	*	*			trans	106.6	149.7	170.7	-173.1	0	0	0	0	116.8
221	E	31.1	Very low	32.1	Very low	158 Å²	158	143.9 Å²	143.9	74%	0.738	77%	0.765	S	S	*	*			trans	-115	-173.8	-165.9	-49.9	175.6	135.2	0	0	114.3
222	Q	32.4	Very low	32.4	Very low	147 Å²	147	146.6 Å²	146.6	69%	0.687	78%	0.777	S	S	*	*			trans	101.5	105	146.6	-73.6	163.7	45	0	0	120.8
223	N	29.4	Very low	32.4	Very low	150 Å²	150	147.6 Å²	147.6	80%	0.802	79%	0.785	S	S	*	*				54.7	112.7	124.4	-50.6	-10.3	0	0	0	121.3
224	A	34.4	Very low	32.6	Very low	101 Å²	101	150 Å²	150	84%	0.835	80%	0.796	S	S	*	*				-162.5	157.9	129.4	0	0	0	0	0	110.9
225	D	28.6	Very low	32.8	Very low	166 Å²	166	150 Å²	150	89%	0.888	80%	0.804	S	S	*	*			trans	-97.5	-179.6	178.3	-63.3	-75.5	0	0	0	112.9
226	A	34.3	Very low	33.1	Very low	94 Å²	94	148.6 Å²	148.6	78%	0.777	80%	0.795	S	S	*	*			trans	76.2	129.3	175.7	0	0	0	0	0	115.8
227	L	30	Very low	33.9	Very low	160 Å²	160	145.6 Å²	145.6	84%	0.838	79%	0.787	S	S	*	*			cis	100.1	137.6	41.3	-105.9	167.1	0	0	0	112.8
228	E	35.1	Very low	34.7	Very low	174 Å²	174	148.5 Å²	148.5	81%	0.813	79%	0.786	S	S	*	*			trans	86.7	158.4	169.3	-58.4	-171.2	170.8	0	0	118.8
229	Y	31	Very low	35.4	Very low	221 Å²	221	151.1 Å²	151.1	87%	0.867	80%	0.795	S	S	*	*			trans	-97.8	146.7	-148.8	-67.7	-111	0	0	0	113.5
230	S	34.4	Very low	36.5	Very low	118 Å²	118	149.9 Å²	149.9	83%	0.825	79%	0.786	S	S	*	*			trans	-157.7	144.3	133.5	-167.5	0	0	0	0	109.4
231	D	31.4	Very low	37.2	Very low	143 Å²	143	145.8 Å²	145.8	77%	0.765	77%	0.767	S	S	*	*			trans	-82.2	149.2	174.5	-50.4	-78.1	0	0	0	111.1
232	E	35.7	Very low	37.9	Very low	200 Å²	200	144.6 Å²	144.6	94%	0.935	76%	0.763	S	S	*	*			trans	-161.7	152.5	145.8	-117.9	170.2	-138.6	0	0	109.8
233	E	34.7	Very low	38.6	Very low	190 Å²	190	140.9 Å²	140.9	89%	0.888	75%	0.753	S	S	*	*			trans	-92.3	135.8	-158.7	-61	172.9	137.4	0	0	113.6
234	Q	35.4	Very low	39.1	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	73%	0.734	S	S	*	*			trans	-140.3	119.7	157.9	-71	-168.1	-9	0	0	109.8	V236	Q234-V236 PolarHBondContact O-N 2.89Å
235	D	36.8	Very low	39.5	Very low	175 Å²	175	137.8 Å²	137.8	94%	0.936	73%	0.727	S	S	*	*			trans	-67	120.8	171.1	-69.7	-63.8	0	0	0	110.2
236	V	40.9	Very low	40.1	Very low	118 Å²	118	133 Å²	133	72%	0.715	71%	0.71	S	S	*	*			trans	-123.7	127.2	175.2	-169.5	0	0	0	0	108.4	Q234 I238	Q234-V236 PolarHBondContact O-N 2.89Å; V236-I238 PolarHBondContact O-N 2.89Å
237	D	46.4	Very low	40.5	Very low	97 Å²	97	133.1 Å²	133.1	52%	0.519	71%	0.705	S	S	.	*			trans	-46.2	102.2	-170.6	-81.7	-31.3	0	0	0	113.9	E239 Q240 A241	D237-E239 PolarHBondContact O-N 3.23Å; D237-Q240 HydrophobicContact CB-CB 3.79Å; D237-Q240 HydrophobicContact CB-CG 3.77Å; D237-Q240 PolarHBondContact O-N 3.5Å; D237-Q240 PolarHBondContact OD2-NE2 2.95Å; D237-A241 PolarHBondContact O-N 2.67Å
238	I	50.4	Low	40.9	Very low	123 Å²	123	132.8 Å²	132.8	63%	0.631	70%	0.699	S	S	*	*	H	α-helix	trans	-61.6	-33.5	176.7	-59.2	176.2	0	0	0	110	V236 A241 M242	V236-I238 PolarHBondContact O-N 2.89Å; I238-A241 PolarHBondContact O-N 2.95Å; I238-M242 HydrophobicContact CG2-CE 4.06Å; I238-M242 HydrophobicContact CG2-CG 4.44Å; I238-M242 WeakPolarHBondContact O-CB 3.18Å; I238-M242 WeakPolarHBondContact O-CG 3.35Å; I238-M242 PolarHBondContact O-N 2.92Å
239	E	49.4	Very low	41.3	Very low	168 Å²	168	127.4 Å²	127.4	79%	0.785	68%	0.684	S	S	*	*	H	α-helix	trans	-68.2	-42.1	175.2	-75.2	-172.2	135.1	0	0	113	D237 A241 M242 S243	D237-E239 PolarHBondContact O-N 3.23Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 3.4Å; E239-M242 PolarHBondContact O-N 3.25Å; E239-S243 WeakPolarHBondContact O-CB 3.15Å; E239-S243 PolarHBondContact O-N 3.07Å; E239-S243 PolarHBondContact O-OG 3.31Å
240	Q	51.8	Low	42.4	Very low	124 Å²	124	122.5 Å²	122.5	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-67.9	-34.5	175.1	-67.1	-166.1	35.8	0	0	112.1	D237 S243 S244	D237-Q240 HydrophobicContact CB-CB 3.79Å; D237-Q240 HydrophobicContact CB-CG 3.77Å; D237-Q240 PolarHBondContact O-N 3.5Å; D237-Q240 PolarHBondContact OD2-NE2 2.95Å; Q240-S243 PolarHBondContact O-OG 3.49Å; Q240-S244 WeakPolarHBondContact O-CB 3.39Å; Q240-S244 PolarHBondContact O-N 3.22Å; Q240-S244 PolarHBondContact O-OG 3.44Å
241	A	48.6	Very low	43.4	Very low	52 Å²	52	125.1 Å²	125.1	43%	0.43	67%	0.667	S	S	.	*	H	α-helix	trans	-64.5	-44.1	171.5	0	0	0	0	0	111.2	D237 I238 E239 S244 L245	D237-A241 PolarHBondContact O-N 2.67Å; I238-A241 PolarHBondContact O-N 2.95Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 3.4Å; A241-S244 PolarHBondContact O-N 2.96Å; A241-L245 VanDerWaalsContact O-CD1 3.24Å; A241-L245 WeakPolarHBondContact O-CD1 3.28Å; A241-L245 PolarHBondContact O-N 3.13Å
242	M	45.2	Very low	45.2	Very low	132 Å²	132	119.3 Å²	119.3	65%	0.65	64%	0.636	S	S	*	*	H	α-helix	trans	-69.6	-40.1	178.3	-74.9	-159.2	-177	0	0	113.2	I238 E239 S244 L245 A246	I238-M242 HydrophobicContact CG2-CE 4.06Å; I238-M242 HydrophobicContact CG2-CG 4.44Å; I238-M242 WeakPolarHBondContact O-CB 3.18Å; I238-M242 WeakPolarHBondContact O-CG 3.35Å; I238-M242 PolarHBondContact O-N 2.92Å; E239-M242 PolarHBondContact O-N 3.25Å; M242-S244 VanDerWaalsContact C-N 3.33Å; M242-L245 PolarHBondContact O-N 3.48Å; M242-A246 VanDerWaalsContact O-CB 3.28Å; M242-A246 WeakPolarHBondContact O-CB 3.18Å; M242-A246 PolarHBondContact O-N 3.36Å
243	S	47.1	Very low	46.9	Very low	70 Å²	70	114.8 Å²	114.8	49%	0.49	62%	0.624	S	S	.	*	H	α-helix	trans	-67.6	-34.5	175.4	69.9	0	0	0	0	111.8	E239 Q240 A246 S247	E239-S243 WeakPolarHBondContact O-CB 3.15Å; E239-S243 PolarHBondContact O-N 3.07Å; E239-S243 PolarHBondContact O-OG 3.31Å; Q240-S243 PolarHBondContact O-OG 3.49Å; S243-A246 PolarHBondContact O-N 2.83Å; S243-S247 WeakPolarHBondContact O-CB 3.26Å; S243-S247 PolarHBondContact O-N 3.44Å; S243-S247 PolarHBondContact O-OG 3.47Å
244	S	40.5	Very low	49	Very low	57 Å²	57	112.2 Å²	112.2	40%	0.399	62%	0.615	S	S	.	*	H	α-helix	trans	-65.8	-39.4	170.8	-64.8	0	0	0	0	112.7	Q240 A241 M242 S247 Q248	Q240-S244 WeakPolarHBondContact O-CB 3.39Å; Q240-S244 PolarHBondContact O-N 3.22Å; Q240-S244 PolarHBondContact O-OG 3.44Å; A241-S244 PolarHBondContact O-N 2.96Å; M242-S244 VanDerWaalsContact C-N 3.33Å; S244-S247 PolarHBondContact O-OG 2.88Å; S244-Q248 WeakPolarHBondContact O-CB 3.44Å; S244-Q248 VanDerWaalsContact O-CG 3.28Å; S244-Q248 WeakPolarHBondContact O-CG 3.25Å; S244-Q248 PolarHBondContact O-N 3.2Å; S244-Q248 VanDerWaalsContact O-N 3.13Å
245	L	41.1	Very low	51.3	Low	129 Å²	129	105.5 Å²	105.5	68%	0.675	59%	0.586	S	S	*	*	H	α-helix	trans	-72.2	-32	174	-95.7	75	0	0	0	112.8	A241 M242	A241-L245 VanDerWaalsContact O-CD1 3.24Å; A241-L245 WeakPolarHBondContact O-CD1 3.28Å; A241-L245 PolarHBondContact O-N 3.13Å; M242-L245 PolarHBondContact O-N 3.48Å
246	A	41.4	Very low	53.7	Low	66 Å²	66	100.3 Å²	100.3	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-74.7	-40.4	177.6	0	0	0	0	0	112.2	M242 S243 Q248 A249	M242-A246 VanDerWaalsContact O-CB 3.28Å; M242-A246 WeakPolarHBondContact O-CB 3.18Å; M242-A246 PolarHBondContact O-N 3.36Å; S243-A246 PolarHBondContact O-N 2.83Å; A246-Q248 VanDerWaalsContact C-N 3.33Å; A246-A249 WeakPolarHBondContact O-CB 3.47Å; A246-A249 PolarHBondContact O-N 3.43Å
247	S	44	Very low	56	Low	96 Å²	96	97.3 Å²	97.3	67%	0.671	54%	0.536	S	S	*	.	H	α-helix	trans	-70.7	-27.2	173.5	54.9	0	0	0	0	112.7	S243 S244 A249	S243-S247 WeakPolarHBondContact O-CB 3.26Å; S243-S247 PolarHBondContact O-N 3.44Å; S243-S247 PolarHBondContact O-OG 3.47Å; S244-S247 PolarHBondContact O-OG 2.88Å; S247-A249 PolarHBondContact O-N 3.49Å
248	Q	38.5	Very low	58	Low	152 Å²	152	97.6 Å²	97.6	71%	0.71	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	8.1	166.5	-71.5	-175.8	27.5	0	0	114.1	S244 A246 K250	S244-Q248 WeakPolarHBondContact O-CB 3.44Å; S244-Q248 VanDerWaalsContact O-CG 3.28Å; S244-Q248 WeakPolarHBondContact O-CG 3.25Å; S244-Q248 PolarHBondContact O-N 3.2Å; S244-Q248 VanDerWaalsContact O-N 3.13Å; A246-Q248 VanDerWaalsContact C-N 3.33Å; Q248-K250 PolarHBondContact O-N 2.95Å
249	A	43.2	Very low	59.8	Low	61 Å²	61	99.9 Å²	99.9	50%	0.504	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	104	-173.3	0	0	0	0	0	114.3	A246 S247 Q251	A246-A249 WeakPolarHBondContact O-CB 3.47Å; A246-A249 PolarHBondContact O-N 3.43Å; S247-A249 PolarHBondContact O-N 3.49Å; A249-Q251 PolarHBondContact O-N 3.19Å
250	K	52.9	Low	61.6	Low	119 Å²	119	93.2 Å²	93.2	52%	0.517	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	28.6	155.4	-50.5	-179	-176.5	-174.8	0	116.2	Q248 L252 D442	Q248-K250 PolarHBondContact O-N 2.95Å; K250-L252 PolarHBondContact O-N 3.11Å; K250-L252 VanDerWaalsContact O-N 3.13Å; K250-D442 WeakPolarHBondContact CD-OD1 3.24Å; K250-D442 VanDerWaalsContact CE-OD1 3.28Å; K250-D442 WeakPolarHBondContact CE-OD1 3.42Å; K250-D442 IonicContact NZ-OD1 3.13Å; K250-D442 PolarHBondContact NZ-OD1 3.18Å; K250-D442 IonicContact NZ-OD2 3.3Å
251	Q	55.5	Low	63.4	Low	172 Å²	172	96.4 Å²	96.4	80%	0.804	53%	0.53	S	S	*	.			trans	-70.2	104.7	158.3	-65	-151.9	34.6	0	0	109.3	A249 P253	A249-Q251 PolarHBondContact O-N 3.19Å; Q251-P253 WeakPolarHBondContact O-CD 3.17Å
252	L	69.5	Low	65.4	Low	21 Å²	21	95.7 Å²	95.7	11%	0.11	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-65.6	123.6	169.6	-72.8	179.8	0	0	0	109.4	K250 I254 I441 L444 A445	K250-L252 PolarHBondContact O-N 3.11Å; K250-L252 VanDerWaalsContact O-N 3.13Å; L252-I254 PolarHBondContact O-N 2.95Å; L252-I441 HydrophobicContact CD1-CB 4.2Å; L252-I441 HydrophobicContact CD1-CG1 3.91Å; L252-I441 HydrophobicContact CD1-CG2 3.95Å; L252-I441 HydrophobicContact CG-CG2 4.04Å; L252-L444 HydrophobicContact CD1-CB 4.29Å; L252-L444 HydrophobicContact CD1-CD1 4.35Å; L252-L444 HydrophobicContact CD2-CB 3.52Å; L252-A445 HydrophobicContact CD2-CB 3.93Å
253	P	71.1	Confident	67.5	Low	106 Å²	106	95.4 Å²	95.4	69%	0.688	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-62.1	132.5	170.8	27	-33.2	0	0	0	108.9	Q251 T255 N483	Q251-P253 WeakPolarHBondContact O-CD 3.17Å; P253-T255 PolarHBondContact O-N 3.06Å; P253-N483 PolarHBondContact O-OD1 3.37Å; P253-N483 VanDerWaalsContact O-OD1 3.07Å
254	I	80.2	Confident	69.6	Low	136 Å²	136	97.1 Å²	97.1	70%	0.697	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-75.5	121.4	176.8	-60.7	175.2	0	0	0	108.1	L252 D256	L252-I254 PolarHBondContact O-N 2.95Å; I254-D256 PolarHBondContact O-N 2.91Å
255	T	83.6	Confident	72.2	Confident	41 Å²	41	96.4 Å²	96.4	25%	0.252	51%	0.508	S	S	.	.			trans	-67.2	115.6	178.9	-65.5	0	0	0	0	110.7	P253 H257 V260 N483	P253-T255 PolarHBondContact O-N 3.06Å; T255-H257 PolarHBondContact O-N 3Å; T255-V260 HydrophobicContact CG2-CG2 3.84Å; T255-N483 VanDerWaalsContact CB-OD1 3.28Å; T255-N483 WeakPolarHBondContact CB-OD1 3.48Å; T255-N483 PolarHBondContact N-OD1 2.9Å; T255-N483 PolarHBondContact OG1-OD1 3.46Å
256	D	86.8	Confident	74.7	Confident	67 Å²	67	96.4 Å²	96.4	36%	0.358	50%	0.499	S	S	.	.			trans	-69.5	94.9	168.2	-177.2	-7.1	0	0	0	110.4	I254 S258 K259	I254-D256 PolarHBondContact O-N 2.91Å; D256-S258 VanDerWaalsContact CG-OG 3.3Å; D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 VanDerWaalsContact O-N 3.1Å; D256-S258 VanDerWaalsContact OD1-CB 3.3Å; D256-S258 WeakPolarHBondContact OD1-CB 3.26Å; D256-S258 PolarHBondContact OD1-N 3.21Å; D256-S258 PolarHBondContact OD1-OG 3.48Å; D256-S258 PolarHBondContact OD2-OG 3.27Å; D256-K259 PolarHBondContact O-N 3.17Å; D256-K259 VanDerWaalsContact O-N 3.11Å; D256-K259 IonicContact OD2-NZ 3.73Å; D256-K259 PolarHBondContact OD2-NZ 3.41Å
257	H	89	Confident	77.1	Confident	54 Å²	54	96 Å²	96	25%	0.25	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.8	179	-61.7	-55.9	0	0	0	114.1	T255 K259 Y262 A482 I484	T255-H257 PolarHBondContact O-N 3Å; H257-K259 VanDerWaalsContact C-N 3.32Å; H257-Y262 HydrophobicContact CB-CE2 4.21Å; H257-Y262 AromaticContact ND1-CZ 3.79Å; H257-Y262 PolarHBondContact ND1-OH 3.25Å; H257-A482 PolarHBondContact NE2-O 2.97Å; H257-I484 PolarHBondContact CE1-O 2.8Å
258	S	88.9	Confident	79.4	Confident	104 Å²	104	95.4 Å²	95.4	73%	0.727	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.1	177.6	74	0	0	0	0	112.9	D256	D256-S258 VanDerWaalsContact CG-OG 3.3Å; D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 VanDerWaalsContact O-N 3.1Å; D256-S258 VanDerWaalsContact OD1-CB 3.3Å; D256-S258 WeakPolarHBondContact OD1-CB 3.26Å; D256-S258 PolarHBondContact OD1-N 3.21Å; D256-S258 PolarHBondContact OD1-OG 3.48Å; D256-S258 PolarHBondContact OD2-OG 3.27Å
259	K	88.1	Confident	81.7	Confident	171 Å²	171	88.2 Å²	88.2	74%	0.743	44%	0.44	S	S	*	.	S	Bend	trans	-96.6	-4.3	-178.1	-62.4	-172.6	177.8	90.2	0	113.7	D256 H257	D256-K259 PolarHBondContact O-N 3.17Å; D256-K259 VanDerWaalsContact O-N 3.11Å; D256-K259 IonicContact OD2-NZ 3.73Å; D256-K259 PolarHBondContact OD2-NZ 3.41Å; H257-K259 VanDerWaalsContact C-N 3.32Å
260	V	86.8	Confident	84.1	Confident	27 Å²	27	86.4 Å²	86.4	16%	0.164	42%	0.421	C	S	.	.	S	Bend	trans	-102.3	118.7	-176.9	179.7	0	0	0	0	110.3	T255 Y262 R455	T255-V260 HydrophobicContact CG2-CG2 3.84Å; V260-Y262 HydrophobicContact CB-CD2 4.39Å; V260-Y262 HydrophobicContact CB-CE1 4.35Å; V260-Y262 HydrophobicContact CB-CE2 3.74Å; V260-Y262 HydrophobicContact CG1-CD1 4.11Å; V260-Y262 HydrophobicContact CG1-CD2 4.32Å; V260-Y262 HydrophobicContact CG1-CE1 3.59Å; V260-Y262 HydrophobicContact CG1-CE2 3.86Å; V260-Y262 HydrophobicContact CG1-CG 4.43Å; V260-Y262 VanDerWaalsContact CG1-CZ 3.46Å; V260-Y262 VanDerWaalsContact O-CD2 3.25Å; V260-Y262 WeakPolarHBondContact O-CD2 3.28Å; V260-Y262 PolarHBondContact O-N 2.7Å; V260-R455 HydrophobicContact CG1-CG 4.41Å
261	Y	89.4	Confident	85.9	Confident	192 Å²	192	85.9 Å²	85.9	75%	0.753	43%	0.427	S	S	*	.			trans	-66.1	117	168.1	175.7	-96.8	0	0	0	110.1	R263	Y261-R263 HydrophobicContact CE1-CB 4.42Å
262	Y	90.7	Very high	87.6	Confident	37 Å²	37	80.5 Å²	80.5	15%	0.145	40%	0.402	C	S	.	.			trans	-104	117.6	174.7	-70.1	-67	0	0	0	110.6	H257 V260 R455 R485	H257-Y262 HydrophobicContact CB-CE2 4.21Å; H257-Y262 AromaticContact ND1-CZ 3.79Å; H257-Y262 PolarHBondContact ND1-OH 3.25Å; V260-Y262 HydrophobicContact CB-CD2 4.39Å; V260-Y262 HydrophobicContact CB-CE1 4.35Å; V260-Y262 HydrophobicContact CB-CE2 3.74Å; V260-Y262 HydrophobicContact CG1-CD1 4.11Å; V260-Y262 HydrophobicContact CG1-CD2 4.32Å; V260-Y262 HydrophobicContact CG1-CE1 3.59Å; V260-Y262 HydrophobicContact CG1-CE2 3.86Å; V260-Y262 HydrophobicContact CG1-CG 4.43Å; V260-Y262 VanDerWaalsContact CG1-CZ 3.46Å; V260-Y262 VanDerWaalsContact O-CD2 3.25Å; V260-Y262 WeakPolarHBondContact O-CD2 3.28Å; V260-Y262 PolarHBondContact O-N 2.7Å; Y262-R455 HydrophobicContact CE1-CB 4.31Å; Y262-R485 HydrophobicContact CD1-CB 3.78Å; Y262-R485 HydrophobicContact CD2-CB 4.4Å; Y262-R485 HydrophobicContact CE1-CB 3.58Å; Y262-R485 HydrophobicContact CE2-CB 4.21Å; Y262-R485 HydrophobicContact CG-CB 4.21Å
263	R	88.9	Confident	88.7	Confident	126 Å²	126	81.4 Å²	81.4	48%	0.475	41%	0.408	S	S	.	.			trans	-57	133.6	173.5	-165	175.1	-172	163.5	1.5	109.6	Y261 D375 R485	Y261-R263 HydrophobicContact CE1-CB 4.42Å; R263-D375 IonicContact NH1-OD2 3.88Å; R263-R485 PolarHBondContact O-NH1 2.97Å; R263-R485 PolarHBondContact O-NH2 2.86Å
264	P	92.6	Very high	89.7	Confident	106 Å²	106	80.5 Å²	80.5	69%	0.688	40%	0.403	S	S	*	.			trans	-65	147.4	174	27.7	-34.7	0	0	0	110.3
265	F	94.4	Very high	90.3	Very high	41 Å²	41	79.1 Å²	79.1	18%	0.18	39%	0.393	C	S	.	.			trans	-139.9	155.9	178	71.5	-74.1	0	0	0	110.1	K267 H367 T458 D487	F265-K267 HydrophobicContact CD2-CG 4.2Å; F265-K267 HydrophobicContact CE2-CD 4.29Å; F265-K267 HydrophobicContact CE2-CG 3.46Å; F265-K267 VanDerWaalsContact CE2-CG 3.46Å; F265-K267 HydrophobicContact CZ-CD 4.3Å; F265-K267 VanDerWaalsContact CZ-CE 3.47Å; F265-K267 HydrophobicContact CZ-CG 3.92Å; F265-H367 AromaticContact CD2-CE1 3.91Å; F265-H367 AromaticContact CE2-CE1 3.78Å; F265-T458 HydrophobicContact CB-CG2 4.43Å; F265-T458 HydrophobicContact CD1-CG2 3.57Å; F265-T458 HydrophobicContact CD2-CG2 3.73Å; F265-T458 HydrophobicContact CE1-CG2 3.58Å; F265-T458 HydrophobicContact CE2-CG2 3.75Å; F265-T458 HydrophobicContact CG-CG2 3.64Å; F265-T458 HydrophobicContact CZ-CG2 3.65Å; F265-D487 WeakPolarHBondContact CE1-OD2 3.41Å; F265-D487 WeakPolarHBondContact CZ-O 3.43Å
266	R	93.6	Very high	90.7	Very high	129 Å²	129	77.2 Å²	77.2	49%	0.487	38%	0.381	S	S	.	.			trans	-81	142.4	174.6	-175.2	178	-178	167.5	3.3	110.1	D268 F269 D370	R266-D268 PolarHBondContact NE-O 3.17Å; R266-D268 PolarHBondContact NH2-O 2.76Å; R266-F269 HydrophobicContact CB-CE1 3.84Å; R266-F269 HydrophobicContact CB-CZ 4.49Å; R266-F269 HydrophobicContact CG-CD1 3.93Å; R266-F269 HydrophobicContact CG-CE1 3.72Å; R266-F269 WeakPolarHBondContact O-CZ 3.43Å; R266-D370 WeakPolarHBondContact CB-OD2 3.41Å; R266-D370 WeakPolarHBondContact CD-OD2 3.3Å
267	K	90.9	Very high	90.9	Very high	58 Å²	58	80.9 Å²	80.9	25%	0.252	39%	0.394	S	S	.	.			trans	-114.8	-40.5	174.5	-82.7	-167.1	172.5	-170.7	0	113.9	F265 F269 G343 D487 R488	F265-K267 HydrophobicContact CD2-CG 4.2Å; F265-K267 HydrophobicContact CE2-CD 4.29Å; F265-K267 HydrophobicContact CE2-CG 3.46Å; F265-K267 VanDerWaalsContact CE2-CG 3.46Å; F265-K267 HydrophobicContact CZ-CD 4.3Å; F265-K267 VanDerWaalsContact CZ-CE 3.47Å; F265-K267 HydrophobicContact CZ-CG 3.92Å; K267-F269 WeakPolarHBondContact O-CD2 3.49Å; K267-F269 WeakPolarHBondContact O-CE2 3.33Å; K267-G343 WeakPolarHBondContact O-CA 3.34Å; K267-G343 PolarHBondContact O-N 2.91Å; K267-D487 WeakPolarHBondContact CE-O 3.22Å; K267-D487 PolarHBondContact NZ-O 3.03Å; K267-R488 PolarHBondContact NZ-O 2.99Å
268	D	92.6	Very high	91.1	Very high	83 Å²	83	88.5 Å²	88.5	44%	0.444	42%	0.421	S	S	.	.			trans	-92.9	107.5	-177.7	-174.8	6.6	0	0	0	111	R266 Y270 C342	R266-D268 PolarHBondContact NE-O 3.17Å; R266-D268 PolarHBondContact NH2-O 2.76Å; D268-Y270 PolarHBondContact OD1-N 3.18Å; D268-Y270 VanDerWaalsContact OD1-N 3.09Å; D268-C342 WeakPolarHBondContact OD1-CA 3.49Å
269	F	88.2	Confident	91.3	Very high	2 Å²	2	84.3 Å²	84.3	1%	0.009	39%	0.39	C	S	.	.			trans	-113.8	1.1	177.9	-36.7	-85.7	0	0	0	112.4	R266 K267 L341 R366 H367 D370	R266-F269 HydrophobicContact CB-CE1 3.84Å; R266-F269 HydrophobicContact CB-CZ 4.49Å; R266-F269 HydrophobicContact CG-CD1 3.93Å; R266-F269 HydrophobicContact CG-CE1 3.72Å; R266-F269 WeakPolarHBondContact O-CZ 3.43Å; K267-F269 WeakPolarHBondContact O-CD2 3.49Å; K267-F269 WeakPolarHBondContact O-CE2 3.33Å; F269-L341 HydrophobicContact CD2-CD2 4.31Å; F269-L341 PolarHBondContact N-O 3.36Å; F269-R366 HydrophobicContact CB-CG 4.33Å; F269-R366 HydrophobicContact CG-CG 4.47Å; F269-R366 PolarHBondContact O-NE 3.07Å; F269-R366 PolarHBondContact O-NH2 2.86Å; F269-H367 HydrophobicContact CE2-CB 3.98Å; F269-H367 AromaticContact CE2-ND1 3.5Å; F269-H367 HydrophobicContact CZ-CB 4.2Å; F269-H367 AromaticContact CZ-ND1 3.59Å; F269-D370 HydrophobicContact CD1-CB 4.02Å; F269-D370 HydrophobicContact CE1-CB 3.53Å; F269-D370 WeakPolarHBondContact CE1-OD2 3.34Å; F269-D370 HydrophobicContact CZ-CB 4.42Å
270	Y	92	Very high	91.5	Very high	22 Å²	22	79.4 Å²	79.4	9%	0.086	37%	0.374	C	S	.	.			trans	-85.7	128.7	-173.8	-171.3	-118.7	0	0	0	111.1	D268 E272 P302 P338 L341	D268-Y270 PolarHBondContact OD1-N 3.18Å; D268-Y270 VanDerWaalsContact OD1-N 3.09Å; Y270-E272 HydrophobicContact CE1-CB 4Å; Y270-E272 HydrophobicContact CE1-CG 4.39Å; Y270-P302 HydrophobicContact CD1-CB 4.37Å; Y270-P302 HydrophobicContact CE1-CB 4.05Å; Y270-P338 HydrophobicContact CD1-CB 4.42Å; Y270-P338 HydrophobicContact CD2-CB 4.17Å; Y270-P338 HydrophobicContact CE1-CB 3.98Å; Y270-P338 HydrophobicContact CE2-CB 3.72Å; Y270-L341 HydrophobicContact CD2-CB 4.26Å; Y270-L341 HydrophobicContact CD2-CD1 4.47Å; Y270-L341 HydrophobicContact CG-CB 4.41Å; Y270-L341 PolarHBondContact N-O 2.66Å
271	V	91.9	Very high	91.7	Very high	108 Å²	108	83.5 Å²	83.5	66%	0.655	39%	0.392	S	S	*	.			trans	-119.7	108	172.4	-178.4	0	0	0	0	106.6	V273	V271-V273 PolarHBondContact O-N 3.21Å
272	E	91.2	Very high	91.9	Very high	60 Å²	60	81.8 Å²	81.8	28%	0.28	39%	0.39	S	S	.	.			trans	-62.8	122.2	-177.7	-171.6	-176.5	-144.7	0	0	110.6	Y270 L276 K277 K303	Y270-E272 HydrophobicContact CE1-CB 4Å; Y270-E272 HydrophobicContact CE1-CG 4.39Å; E272-L276 HydrophobicContact CG-CB 4.07Å; E272-K277 HydrophobicContact CG-CB 4.11Å; E272-K277 WeakPolarHBondContact OE2-CA 3.41Å; E272-K277 WeakPolarHBondContact OE2-CB 3.2Å; E272-K277 WeakPolarHBondContact OE2-CG 3.2Å; E272-K303 WeakPolarHBondContact OE1-CD 3.36Å; E272-K303 VanDerWaalsContact OE1-CE 3.27Å; E272-K303 WeakPolarHBondContact OE1-CE 3.49Å; E272-K303 WeakPolarHBondContact OE1-CG 3.3Å; E272-K303 IonicContact OE1-NZ 3.02Å
273	V	92.9	Very high	92.1	Very high	40 Å²	40	85 Å²	85	24%	0.242	41%	0.406	C	S	.	.			trans	-65.8	138.8	179.8	-176.1	0	0	0	0	109.8	V271 E275 L276 K277 Q310	V271-V273 PolarHBondContact O-N 3.21Å; V273-E275 HydrophobicContact CG1-CB 4.25Å; V273-E275 HydrophobicContact CG1-CG 4.23Å; V273-E275 PolarHBondContact O-N 2.98Å; V273-L276 PolarHBondContact O-N 2.88Å; V273-K277 PolarHBondContact O-N 3.03Å; V273-Q310 HydrophobicContact CB-CG 4.38Å; V273-Q310 HydrophobicContact CG2-CB 3.95Å; V273-Q310 HydrophobicContact CG2-CG 4.01Å
274	P	91.9	Very high	92.3	Very high	87 Å²	87	79 Å²	79	57%	0.565	38%	0.384	S	S	*	.	H	α-helix	trans	-53.3	-29.3	-179.5	-30.4	36.5	0	0	0	115.3	R278	P274-R278 WeakPolarHBondContact O-CB 3.39Å; P274-R278 VanDerWaalsContact O-CG 3.27Å; P274-R278 WeakPolarHBondContact O-CG 3.3Å; P274-R278 PolarHBondContact O-N 3.38Å; P274-R278 VanDerWaalsContact O-N 3.15Å
275	E	91.5	Very high	92.4	Very high	106 Å²	106	78.8 Å²	78.8	50%	0.495	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-45	171.9	-62.5	-178.5	145.3	0	0	112.4	V273 Q310	V273-E275 HydrophobicContact CG1-CB 4.25Å; V273-E275 HydrophobicContact CG1-CG 4.23Å; V273-E275 PolarHBondContact O-N 2.98Å; E275-Q310 PolarHBondContact OE2-NE2 2.8Å
276	L	92	Very high	92.4	Very high	1 Å²	1	80 Å²	80	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-78.4	-42.4	179.3	-59.5	177.4	0	0	0	110.5	E272 V273 R278 M279 K303 I305 K306 Q310	E272-L276 HydrophobicContact CG-CB 4.07Å; V273-L276 PolarHBondContact O-N 2.88Å; L276-R278 PolarHBondContact O-N 3.44Å; L276-R278 VanDerWaalsContact O-N 3.16Å; L276-M279 HydrophobicContact CD2-SD 4.06Å; L276-M279 WeakPolarHBondContact O-CB 3.1Å; L276-M279 PolarHBondContact O-N 3.46Å; L276-K303 WeakPolarHBondContact O-CD 3.43Å; L276-K303 WeakPolarHBondContact O-CE 3.36Å; L276-K303 PolarHBondContact O-NZ 3.25Å; L276-I305 HydrophobicContact CD1-CG2 3.94Å; L276-K306 HydrophobicContact CD2-CD 4.47Å; L276-K306 HydrophobicContact CD2-CG 4.33Å; L276-Q310 HydrophobicContact CD1-CB 4.22Å
277	K	91.4	Very high	92.4	Very high	145 Å²	145	75.4 Å²	75.4	63%	0.63	37%	0.374	S	S	*	.	H	α-helix	trans	-55.6	-36.2	179.4	-172.1	165.9	-176.6	173.9	0	112.7	E272 V273 M279 K303	E272-K277 HydrophobicContact CG-CB 4.11Å; E272-K277 WeakPolarHBondContact OE2-CA 3.41Å; E272-K277 WeakPolarHBondContact OE2-CB 3.2Å; E272-K277 WeakPolarHBondContact OE2-CG 3.2Å; V273-K277 PolarHBondContact O-N 3.03Å; K277-M279 PolarHBondContact O-N 3.02Å; K277-K303 PolarHBondContact O-NZ 3.42Å
278	R	93.2	Very high	92.5	Very high	214 Å²	214	73.9 Å²	73.9	81%	0.808	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.6	175.8	-77.2	173.2	179.8	171.4	0.2	115.3	P274 L276	P274-R278 WeakPolarHBondContact O-CB 3.39Å; P274-R278 VanDerWaalsContact O-CG 3.27Å; P274-R278 WeakPolarHBondContact O-CG 3.3Å; P274-R278 PolarHBondContact O-N 3.38Å; P274-R278 VanDerWaalsContact O-N 3.15Å; L276-R278 PolarHBondContact O-N 3.44Å; L276-R278 VanDerWaalsContact O-N 3.16Å
279	M	92.1	Very high	92.5	Very high	16 Å²	16	76.5 Å²	76.5	8%	0.079	38%	0.377	C	S	.	.			trans	-63.5	137.8	-175.3	-69.9	176.5	57.5	0	0	112.1	L276 K277 E283 V284 K303 K306	L276-M279 HydrophobicContact CD2-SD 4.06Å; L276-M279 WeakPolarHBondContact O-CB 3.1Å; L276-M279 PolarHBondContact O-N 3.46Å; K277-M279 PolarHBondContact O-N 3.02Å; M279-E283 WeakPolarHBondContact CA-OE2 3.43Å; M279-E283 HydrophobicContact CB-CB 4.29Å; M279-E283 HydrophobicContact CE-CB 3.97Å; M279-E283 VanDerWaalsContact CE-O 3.26Å; M279-E283 WeakPolarHBondContact CE-O 3.08Å; M279-V284 HydrophobicContact CB-CG2 4.05Å; M279-V284 HydrophobicContact CE-CG2 3.91Å; M279-K303 HydrophobicContact CB-CD 4.47Å; M279-K303 PolarHBondContact O-NZ 2.97Å; M279-K306 HydrophobicContact SD-CD 4.44Å; M279-K306 VanDerWaalsContact SD-CE 3.58Å; M279-K306 PolarHBondContact SD-NZ 2.79Å
280	T	94.2	Very high	92.7	Very high	67 Å²	67	83.8 Å²	83.8	41%	0.411	41%	0.411	S	S	.	.			trans	-69.2	167.8	171.9	76.5	0	0	0	0	111.1	E282 E283 V284	T280-E282 VanDerWaalsContact C-N 3.32Å; T280-E282 PolarHBondContact OG1-N 3.25Å; T280-E283 PolarHBondContact N-OE2 2.97Å; T280-E283 PolarHBondContact O-N 3.17Å; T280-E283 WeakPolarHBondContact OG1-CG 3.12Å; T280-E283 PolarHBondContact OG1-N 2.99Å; T280-V284 VanDerWaalsContact O-CG2 3.31Å; T280-V284 WeakPolarHBondContact O-CG2 3.05Å; T280-V284 PolarHBondContact O-N 3.02Å; T280-V284 VanDerWaalsContact O-N 3.1Å
281	Q	91	Very high	92.6	Very high	114 Å²	114	83.8 Å²	83.8	53%	0.533	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-41.2	174.2	-176.1	65.9	15.8	0	0	111.1	E283 V284 E285	Q281-E283 PolarHBondContact O-N 3.29Å; Q281-V284 WeakPolarHBondContact O-CB 3.21Å; Q281-V284 PolarHBondContact O-N 3.19Å; Q281-V284 VanDerWaalsContact O-N 3.11Å; Q281-E285 PolarHBondContact NE2-OE1 2.98Å; Q281-E285 WeakPolarHBondContact O-CG 3.47Å; Q281-E285 PolarHBondContact O-N 3.42Å
282	E	93.5	Very high	92.3	Very high	155 Å²	155	82.9 Å²	82.9	72%	0.724	40%	0.401	S	S	*	.	H	α-helix	trans	-60	-44.5	176	-62.3	162.8	-173.8	0	0	111.6	T280 V284 E285 A286	T280-E282 VanDerWaalsContact C-N 3.32Å; T280-E282 PolarHBondContact OG1-N 3.25Å; E282-V284 VanDerWaalsContact C-N 3.28Å; E282-V284 PolarHBondContact O-N 3.41Å; E282-E285 PolarHBondContact O-N 3.33Å; E282-A286 VanDerWaalsContact O-CB 3.31Å; E282-A286 WeakPolarHBondContact O-CB 3.2Å; E282-A286 PolarHBondContact O-N 3.39Å
283	E	94.2	Very high	92.1	Very high	104 Å²	104	80.4 Å²	80.4	49%	0.486	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-30.3	175.1	-73	-179.3	134.2	0	0	112.9	M279 T280 Q281 Y287	M279-E283 WeakPolarHBondContact CA-OE2 3.43Å; M279-E283 HydrophobicContact CB-CB 4.29Å; M279-E283 HydrophobicContact CE-CB 3.97Å; M279-E283 VanDerWaalsContact CE-O 3.26Å; M279-E283 WeakPolarHBondContact CE-O 3.08Å; T280-E283 PolarHBondContact N-OE2 2.97Å; T280-E283 PolarHBondContact O-N 3.17Å; T280-E283 WeakPolarHBondContact OG1-CG 3.12Å; T280-E283 PolarHBondContact OG1-N 2.99Å; Q281-E283 PolarHBondContact O-N 3.29Å; E283-Y287 WeakPolarHBondContact O-CB 3.23Å; E283-Y287 PolarHBondContact O-N 2.93Å; E283-Y287 VanDerWaalsContact O-N 3.16Å
284	V	93.8	Very high	92.1	Very high	1 Å²	1	78.9 Å²	78.9	1%	0.006	38%	0.382	C	S	.	.	H	α-helix	trans	-73	-40.3	174.3	168.8	0	0	0	0	110.8	M279 T280 Q281 E282 Y287 R288 K303	M279-V284 HydrophobicContact CB-CG2 4.05Å; M279-V284 HydrophobicContact CE-CG2 3.91Å; T280-V284 VanDerWaalsContact O-CG2 3.31Å; T280-V284 WeakPolarHBondContact O-CG2 3.05Å; T280-V284 PolarHBondContact O-N 3.02Å; T280-V284 VanDerWaalsContact O-N 3.1Å; Q281-V284 WeakPolarHBondContact O-CB 3.21Å; Q281-V284 PolarHBondContact O-N 3.19Å; Q281-V284 VanDerWaalsContact O-N 3.11Å; E282-V284 VanDerWaalsContact C-N 3.28Å; E282-V284 PolarHBondContact O-N 3.41Å; V284-Y287 PolarHBondContact O-N 3.43Å; V284-R288 WeakPolarHBondContact O-CG 3.16Å; V284-R288 PolarHBondContact O-N 3.36Å; V284-K303 HydrophobicContact CG2-CB 4.21Å; V284-K303 HydrophobicContact CG2-CD 3.65Å; V284-K303 HydrophobicContact CG2-CG 3.83Å
285	E	93.3	Very high	92.2	Very high	101 Å²	101	80.7 Å²	80.7	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-72.6	-44.8	179.7	-74	170.9	-176.8	0	0	111.6	Q281 E282 Y287 R288 E289	Q281-E285 PolarHBondContact NE2-OE1 2.98Å; Q281-E285 WeakPolarHBondContact O-CG 3.47Å; Q281-E285 PolarHBondContact O-N 3.42Å; E282-E285 PolarHBondContact O-N 3.33Å; E285-Y287 VanDerWaalsContact C-N 3.26Å; E285-Y287 PolarHBondContact O-N 3.45Å; E285-R288 WeakPolarHBondContact O-CB 3.3Å; E285-R288 PolarHBondContact O-N 2.88Å; E285-R288 VanDerWaalsContact O-N 3.1Å; E285-E289 PolarHBondContact O-N 3.26Å
286	A	94.2	Very high	92.3	Very high	67 Å²	67	77.8 Å²	77.8	55%	0.554	37%	0.367	S	S	*	.	H	α-helix	trans	-58.6	-37	170.7	0	0	0	0	0	112.3	E282 E289 Q290	E282-A286 VanDerWaalsContact O-CB 3.31Å; E282-A286 WeakPolarHBondContact O-CB 3.2Å; E282-A286 PolarHBondContact O-N 3.39Å; A286-E289 PolarHBondContact O-N 3.17Å; A286-Q290 PolarHBondContact O-N 3.31Å
287	Y	94.1	Very high	92.3	Very high	32 Å²	32	84.5 Å²	84.5	13%	0.125	39%	0.392	C	S	.	.	H	α-helix	trans	-75.3	-30	175.6	-174.9	-125.3	0	0	0	113.4	E283 V284 E285 Q290 L291 P304 K306	E283-Y287 WeakPolarHBondContact O-CB 3.23Å; E283-Y287 PolarHBondContact O-N 2.93Å; E283-Y287 VanDerWaalsContact O-N 3.16Å; V284-Y287 PolarHBondContact O-N 3.43Å; E285-Y287 VanDerWaalsContact C-N 3.26Å; E285-Y287 PolarHBondContact O-N 3.45Å; Y287-Q290 HydrophobicContact CD2-CB 4.47Å; Y287-L291 HydrophobicContact CD1-CD1 4.21Å; Y287-L291 HydrophobicContact CD2-CG 4.43Å; Y287-L291 HydrophobicContact CE1-CD1 3.64Å; Y287-L291 HydrophobicContact CE1-CG 4.4Å; Y287-L291 HydrophobicContact CE2-CD1 4.08Å; Y287-L291 HydrophobicContact CE2-CD2 4.21Å; Y287-L291 HydrophobicContact CE2-CG 3.93Å; Y287-L291 VanDerWaalsContact O-CG 3.32Å; Y287-L291 WeakPolarHBondContact O-CG 3.09Å; Y287-L291 PolarHBondContact O-N 3.19Å; Y287-P304 HydrophobicContact CD1-CG 3.9Å; Y287-P304 HydrophobicContact CE1-CB 4.46Å; Y287-P304 HydrophobicContact CE1-CG 4.18Å; Y287-K306 HydrophobicContact CD1-CG 4.17Å; Y287-K306 HydrophobicContact CE1-CD 4.22Å; Y287-K306 HydrophobicContact CE1-CG 3.43Å; Y287-K306 VanDerWaalsContact CE1-CG 3.43Å; Y287-K306 HydrophobicContact CE2-CG 4.39Å
288	R	94.4	Very high	92.2	Very high	27 Å²	27	79.7 Å²	79.7	10%	0.102	38%	0.383	C	S	.	.	H	α-helix	trans	-66	-39.7	168.9	-79.4	175.6	178.5	139.6	2.7	111.5	V284 E285 L291 G293 I294 P304 Q335	V284-R288 WeakPolarHBondContact O-CG 3.16Å; V284-R288 PolarHBondContact O-N 3.36Å; E285-R288 WeakPolarHBondContact O-CB 3.3Å; E285-R288 PolarHBondContact O-N 2.88Å; E285-R288 VanDerWaalsContact O-N 3.1Å; R288-L291 PolarHBondContact O-N 3.5Å; R288-G293 PolarHBondContact O-N 3.24Å; R288-I294 HydrophobicContact CB-CB 4.05Å; R288-I294 HydrophobicContact CG-CB 4.13Å; R288-I294 PolarHBondContact O-N 3.02Å; R288-P304 HydrophobicContact CG-CG 4.29Å; R288-Q335 VanDerWaalsContact CZ-OE1 3.31Å
289	E	92.1	Very high	92.1	Very high	137 Å²	137	77.9 Å²	77.9	64%	0.64	38%	0.381	S	S	*	.	H	α-helix	trans	-65.4	-45.1	176.8	-165.8	57.5	-155.3	0	0	111.2	E285 A286 L291 E292 G293	E285-E289 PolarHBondContact O-N 3.26Å; A286-E289 PolarHBondContact O-N 3.17Å; E289-L291 PolarHBondContact O-N 2.88Å; E289-L291 VanDerWaalsContact O-N 3.15Å; E289-E292 PolarHBondContact O-N 2.94Å; E289-G293 PolarHBondContact O-N 2.68Å
290	Q	92.3	Very high	91.9	Very high	155 Å²	155	84 Å²	84	72%	0.724	41%	0.414	S	S	*	.	H	α-helix	trans	-56.6	-30	173.1	-169.9	179.6	33.1	0	0	113.3	A286 Y287 E292	A286-Q290 PolarHBondContact O-N 3.31Å; Y287-Q290 HydrophobicContact CD2-CB 4.47Å; Q290-E292 VanDerWaalsContact C-N 3.3Å; Q290-E292 PolarHBondContact O-N 2.65Å
291	L	89.2	Confident	91.8	Very high	23 Å²	23	82.3 Å²	82.3	12%	0.12	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	52.4	178.7	-70.4	176.7	0	0	0	112.6	Y287 R288 E289 G293 I294 P331 A334	Y287-L291 HydrophobicContact CD1-CD1 4.21Å; Y287-L291 HydrophobicContact CD2-CG 4.43Å; Y287-L291 HydrophobicContact CE1-CD1 3.64Å; Y287-L291 HydrophobicContact CE1-CG 4.4Å; Y287-L291 HydrophobicContact CE2-CD1 4.08Å; Y287-L291 HydrophobicContact CE2-CD2 4.21Å; Y287-L291 HydrophobicContact CE2-CG 3.93Å; Y287-L291 VanDerWaalsContact O-CG 3.32Å; Y287-L291 WeakPolarHBondContact O-CG 3.09Å; Y287-L291 PolarHBondContact O-N 3.19Å; R288-L291 PolarHBondContact O-N 3.5Å; E289-L291 PolarHBondContact O-N 2.88Å; E289-L291 VanDerWaalsContact O-N 3.15Å; L291-G293 VanDerWaalsContact C-N 3.34Å; L291-G293 PolarHBondContact O-N 3.48Å; L291-I294 HydrophobicContact CB-CD1 3.6Å; L291-I294 HydrophobicContact CB-CG1 3.8Å; L291-I294 HydrophobicContact CD1-CD1 3.84Å; L291-I294 HydrophobicContact CG-CD1 4.41Å; L291-I294 WeakPolarHBondContact O-CG1 3.27Å; L291-P331 HydrophobicContact CB-CB 4.05Å; L291-P331 HydrophobicContact CB-CG 4.22Å; L291-P331 HydrophobicContact CD2-CG 4.19Å; L291-P331 WeakPolarHBondContact O-CB 3.43Å; L291-A334 HydrophobicContact CD1-CB 3.89Å
292	E	84.9	Confident	91.9	Very high	88 Å²	88	77.8 Å²	77.8	41%	0.411	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	37.9	-177.2	-51.7	-176	-173.6	0	0	114	E289 Q290 P331 K351 V517 G518	E289-E292 PolarHBondContact O-N 2.94Å; Q290-E292 VanDerWaalsContact C-N 3.3Å; Q290-E292 PolarHBondContact O-N 2.65Å; E292-P331 HydrophobicContact CG-CG 4.13Å; E292-K351 IonicContact OE1-NZ 2.73Å; E292-K351 PolarHBondContact OE1-NZ 3.25Å; E292-K351 WeakPolarHBondContact OE2-CE 3.28Å; E292-K351 IonicContact OE2-NZ 3.49Å; E292-K351 PolarHBondContact OE2-NZ 2.57Å; E292-V517 HydrophobicContact CB-CG1 4.01Å; E292-G518 WeakPolarHBondContact O-CA 3.48Å; E292-G518 PolarHBondContact O-N 3.05Å
293	G	87.7	Confident	92	Very high	8 Å²	8	72.2 Å²	72.2	8%	0.082	36%	0.359	C	S	.	.			trans	66.1	53.7	173.6	0	0	0	0	0	114.4	R288 E289 L291 R295	R288-G293 PolarHBondContact O-N 3.24Å; E289-G293 PolarHBondContact O-N 2.68Å; L291-G293 VanDerWaalsContact C-N 3.34Å; L291-G293 PolarHBondContact O-N 3.48Å; G293-R295 PolarHBondContact O-N 3.16Å
294	I	93.3	Very high	92.1	Very high	8 Å²	8	67.3 Å²	67.3	4%	0.041	34%	0.336	C	S	.	.			trans	-67.3	106.3	-178.6	-49.2	-171.9	0	0	0	111.3	R288 L291 V296 P331 Q335 V515 T516 V517	R288-I294 HydrophobicContact CB-CB 4.05Å; R288-I294 HydrophobicContact CG-CB 4.13Å; R288-I294 PolarHBondContact O-N 3.02Å; L291-I294 HydrophobicContact CB-CD1 3.6Å; L291-I294 HydrophobicContact CB-CG1 3.8Å; L291-I294 HydrophobicContact CD1-CD1 3.84Å; L291-I294 HydrophobicContact CG-CD1 4.41Å; L291-I294 WeakPolarHBondContact O-CG1 3.27Å; I294-V296 HydrophobicContact CG2-CG2 4.07Å; I294-P331 HydrophobicContact CD1-CB 4.12Å; I294-P331 VanDerWaalsContact CD1-O 3.29Å; I294-P331 WeakPolarHBondContact CD1-O 3.41Å; I294-P331 HydrophobicContact CG1-CB 4.47Å; I294-Q335 HydrophobicContact CD1-CB 3.98Å; I294-Q335 HydrophobicContact CG2-CB 4.07Å; I294-Q335 HydrophobicContact CG2-CG 4.01Å; I294-V515 HydrophobicContact CG2-CG1 3.79Å; I294-T516 CarbonylContact C-O 3.56Å; I294-T516 WeakPolarHBondContact CA-O 3.38Å; I294-V517 HydrophobicContact CD1-CG2 4.45Å; I294-V517 HydrophobicContact CG1-CG2 4.19Å; I294-V517 HydrophobicContact CG2-CG2 4.38Å
295	R	93.1	Very high	92.1	Very high	126 Å²	126	67.3 Å²	67.3	48%	0.475	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.5	171.6	-63	-168.8	-70.4	-92.4	10.3	110.6	G293 T516 G518 N519	G293-R295 PolarHBondContact O-N 3.16Å; R295-T516 PolarHBondContact N-O 3.05Å; R295-T516 PolarHBondContact O-N 3.4Å; R295-G518 PolarHBondContact NH2-O 3.37Å; R295-N519 PolarHBondContact NH1-OD1 2.87Å; R295-N519 PolarHBondContact NH2-OD1 3.16Å
296	V	93.8	Very high	92.1	Very high	44 Å²	44	66.4 Å²	66.4	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.2	-176.3	176.8	0	0	0	0	109.9	I294 C301 Q335 I513 E514	I294-V296 HydrophobicContact CG2-CG2 4.07Å; V296-C301 HydrophobicContact CG1-CB 3.61Å; V296-C301 VanDerWaalsContact CG1-SG 3.55Å; V296-Q335 HydrophobicContact CG2-CG 3.89Å; V296-I513 HydrophobicContact CG1-CG2 4.23Å; V296-E514 WeakPolarHBondContact CA-O 3.24Å
297	R	92.5	Very high	92.1	Very high	143 Å²	143	68.8 Å²	68.8	54%	0.54	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.4	177.5	179	-158	-168.5	-171.3	5.2	110	E514	R297-E514 HydrophobicContact CB-CB 4.19Å; R297-E514 WeakPolarHBondContact CD-OE2 3.35Å; R297-E514 IonicContact CZ-OE2 3.56Å; R297-E514 PolarHBondContact N-O 3.46Å; R297-E514 IonicContact NE-OE2 3.46Å; R297-E514 IonicContact NH1-OE2 2.75Å; R297-E514 PolarHBondContact NH1-OE2 3.26Å; R297-E514 PolarHBondContact O-N 2.87Å
298	G	89.9	Confident	92	Very high	43 Å²	43	68 Å²	68	44%	0.443	33%	0.325	S	S	.	.	S	Bend	trans	126.1	155.2	-177.3	0	0	0	0	0	112.3
299	K	89.8	Confident	91.9	Very high	177 Å²	177	70.3 Å²	70.3	77%	0.77	35%	0.35	S	S	*	.	S	Bend	trans	-77.3	143.2	-176.4	-62.7	-173	179.8	-172.4	0	111.4	R344	K299-R344 PolarHBondContact O-NH1 3.42Å; K299-R344 PolarHBondContact O-NH2 3.46Å; K299-R344 VanDerWaalsContact O-NH2 3.1Å
300	N	89.2	Confident	91.9	Very high	145 Å²	145	64.1 Å²	64.1	78%	0.775	32%	0.321	S	S	*	.	S	Bend	trans	53	59	174.2	-55	5.6	0	0	0	113.2	R344	N300-R344 PolarHBondContact O-NH1 3.14Å
301	C	92.2	Very high	91.6	Very high	30 Å²	30	56.7 Å²	56.7	20%	0.203	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-86.4	129.1	170.1	-176.4	0	0	0	0	110.4	V296 Q335 I513	V296-C301 HydrophobicContact CG1-CB 3.61Å; V296-C301 VanDerWaalsContact CG1-SG 3.55Å; C301-Q335 PolarHBondContact SG-NE2 3.25Å; C301-Q335 VanDerWaalsContact SG-NE2 3.44Å; C301-I513 HydrophobicContact CB-CD1 4.18Å; C301-I513 HydrophobicContact CB-CG2 3.93Å; C301-I513 VanDerWaalsContact SG-CG2 3.6Å
302	P	93.6	Very high	91.3	Very high	19 Å²	19	57 Å²	57	12%	0.123	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-68.9	163.6	178.5	29	-35.2	0	0	0	112.5	Y270 Q335 P338 A339	Y270-P302 HydrophobicContact CD1-CB 4.37Å; Y270-P302 HydrophobicContact CE1-CB 4.05Å; P302-Q335 PolarHBondContact O-NE2 2.79Å; P302-P338 HydrophobicContact CB-CB 4.21Å; P302-P338 HydrophobicContact CG-CB 3.88Å; P302-P338 HydrophobicContact CG-CG 4.36Å; P302-A339 HydrophobicContact CG-CB 4.17Å
303	K	95	Very high	91.2	Very high	39 Å²	39	53.4 Å²	53.4	17%	0.17	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-69.3	144.3	177.7	-53.6	-177.1	-164.3	-173.1	0	111	E272 L276 K277 M279 V284	E272-K303 WeakPolarHBondContact OE1-CD 3.36Å; E272-K303 VanDerWaalsContact OE1-CE 3.27Å; E272-K303 WeakPolarHBondContact OE1-CE 3.49Å; E272-K303 WeakPolarHBondContact OE1-CG 3.3Å; E272-K303 IonicContact OE1-NZ 3.02Å; L276-K303 WeakPolarHBondContact O-CD 3.43Å; L276-K303 WeakPolarHBondContact O-CE 3.36Å; L276-K303 PolarHBondContact O-NZ 3.25Å; K277-K303 PolarHBondContact O-NZ 3.42Å; M279-K303 HydrophobicContact CB-CD 4.47Å; M279-K303 PolarHBondContact O-NZ 2.97Å; V284-K303 HydrophobicContact CG2-CB 4.21Å; V284-K303 HydrophobicContact CG2-CD 3.65Å; V284-K303 HydrophobicContact CG2-CG 3.83Å
304	P	95.1	Very high	91.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-70.3	143.7	180	29.1	-34.6	0	0	0	112.2	Y287 R288 A334 Q335	Y287-P304 HydrophobicContact CD1-CG 3.9Å; Y287-P304 HydrophobicContact CE1-CB 4.46Å; Y287-P304 HydrophobicContact CE1-CG 4.18Å; R288-P304 HydrophobicContact CG-CG 4.29Å; P304-A334 CarbonylContact C-O 3.51Å; P304-A334 WeakPolarHBondContact CA-O 3.38Å; P304-A334 HydrophobicContact CB-CB 4.38Å; P304-Q335 HydrophobicContact CB-CB 4.16Å
305	I	95.2	Very high	90.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-81	139.7	179.8	61.8	169.5	0	0	0	112.1	L276 Q310 C311 P329 A334 P338	L276-I305 HydrophobicContact CD1-CG2 3.94Å; I305-Q310 HydrophobicContact CB-CB 4.08Å; I305-Q310 HydrophobicContact CG2-CB 3.97Å; I305-C311 HydrophobicContact CD1-CB 3.71Å; I305-P329 HydrophobicContact CD1-CG 4.4Å; I305-P329 HydrophobicContact CG1-CG 4.23Å; I305-A334 PolarHBondContact N-O 3.36Å; I305-A334 WeakPolarHBondContact O-CB 3.14Å; I305-P338 HydrophobicContact CG2-CB 4.36Å; I305-P338 HydrophobicContact CG2-CG 4.22Å
306	K	92.7	Very high	90.9	Very high	83 Å²	83	63.8 Å²	63.8	36%	0.361	32%	0.322	S	S	.	.	S	Bend	trans	-92.8	-23.7	178.8	-66.3	-178.5	171.6	179	0	113.4	L276 M279 Y287	L276-K306 HydrophobicContact CD2-CD 4.47Å; L276-K306 HydrophobicContact CD2-CG 4.33Å; M279-K306 HydrophobicContact SD-CD 4.44Å; M279-K306 VanDerWaalsContact SD-CE 3.58Å; M279-K306 PolarHBondContact SD-NZ 2.79Å; Y287-K306 HydrophobicContact CD1-CG 4.17Å; Y287-K306 HydrophobicContact CE1-CD 4.22Å; Y287-K306 HydrophobicContact CE1-CG 3.43Å; Y287-K306 VanDerWaalsContact CE1-CG 3.43Å; Y287-K306 HydrophobicContact CE2-CG 4.39Å
307	K	93.4	Very high	90.8	Very high	117 Å²	117	61.8 Å²	61.8	51%	0.509	31%	0.31	S	S	.	.	S	Bend	trans	-143.8	150	-176	-61.5	171.8	-173.6	161.9	0	110.7	A309 Q310	K307-A309 PolarHBondContact O-N 3.18Å; K307-Q310 HydrophobicContact CB-CG 4.46Å; K307-Q310 VanDerWaalsContact N-OE1 3.08Å; K307-Q310 WeakPolarHBondContact O-CB 3.13Å; K307-Q310 PolarHBondContact O-N 3.33Å
308	W	93.3	Very high	90.8	Very high	15 Å²	15	57.4 Å²	57.4	6%	0.057	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-55.5	-35.1	174.3	-69.5	114.7	0	0	0	113.8	Q310 C311 L318 L321 Y326 K328 P329 Q333 I337 V362	W308-Q310 PolarHBondContact O-N 3.18Å; W308-C311 PolarHBondContact O-N 2.75Å; W308-C311 PolarHBondContact O-SG 3.45Å; W308-L318 HydrophobicContact CB-CD2 4.07Å; W308-L318 WeakPolarHBondContact O-CD2 3.22Å; W308-L321 HydrophobicContact CB-CD1 4.48Å; W308-L321 HydrophobicContact CD2-CD1 3.94Å; W308-L321 HydrophobicContact CE3-CD1 3.69Å; W308-L321 HydrophobicContact CE3-CD2 4.47Å; W308-L321 HydrophobicContact CG-CD1 4.3Å; W308-L321 HydrophobicContact CH2-CD2 4.31Å; W308-L321 HydrophobicContact CZ2-CD2 4.35Å; W308-L321 HydrophobicContact CZ3-CD1 4.2Å; W308-L321 HydrophobicContact CZ3-CD2 4.36Å; W308-Y326 PolarHBondContact NE1-O 2.96Å; W308-K328 PolarHBondContact NE1-O 2.75Å; W308-P329 HydrophobicContact CH2-CB 4.25Å; W308-P329 HydrophobicContact CZ2-CB 4.15Å; W308-P329 HydrophobicContact CZ3-CB 4.48Å; W308-Q333 VanDerWaalsContact CH2-OE1 3.26Å; W308-I337 HydrophobicContact CH2-CD1 4.28Å; W308-I337 HydrophobicContact CZ3-CD1 3.7Å; W308-V362 HydrophobicContact CZ3-CG1 4.49Å; W308-V362 HydrophobicContact CZ3-CG2 4.27Å
309	A	91.7	Very high	90.9	Very high	76 Å²	76	60 Å²	60	63%	0.628	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-57.8	-19.7	175.8	0	0	0	0	0	114	K307	K307-A309 PolarHBondContact O-N 3.18Å
310	Q	91.6	Very high	91.1	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.028	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-89.6	-4.1	178.6	-59.3	165.3	-21.6	0	0	113.3	V273 E275 L276 I305 K307 W308 G312	V273-Q310 HydrophobicContact CB-CG 4.38Å; V273-Q310 HydrophobicContact CG2-CB 3.95Å; V273-Q310 HydrophobicContact CG2-CG 4.01Å; E275-Q310 PolarHBondContact OE2-NE2 2.8Å; L276-Q310 HydrophobicContact CD1-CB 4.22Å; I305-Q310 HydrophobicContact CB-CB 4.08Å; I305-Q310 HydrophobicContact CG2-CB 3.97Å; K307-Q310 HydrophobicContact CB-CG 4.46Å; K307-Q310 VanDerWaalsContact N-OE1 3.08Å; K307-Q310 WeakPolarHBondContact O-CB 3.13Å; K307-Q310 PolarHBondContact O-N 3.33Å; W308-Q310 PolarHBondContact O-N 3.18Å; Q310-G312 PolarHBondContact O-N 2.72Å
311	C	87.1	Confident	91.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-75.4	6.3	178.1	68	0	0	0	0	114.8	I305 W308 C313 I337 L341	I305-C311 HydrophobicContact CD1-CB 3.71Å; W308-C311 PolarHBondContact O-N 2.75Å; W308-C311 PolarHBondContact O-SG 3.45Å; C311-C313 HydrophobicContact CB-CB 4.44Å; C311-C313 WeakPolarHBondContact CB-SG 3.37Å; C311-C313 PolarHBondContact O-N 2.75Å; C311-C313 PolarHBondContact O-SG 2.99Å; C311-C313 VanDerWaalsContact O-SG 3.38Å; C311-C313 WeakPolarHBondContact SG-CB 3.28Å; C311-C313 CovalentContact SG-SG 2.04Å; C311-C313 PolarHBondContact SG-SG 3.07Å; C311-I337 HydrophobicContact CB-CG2 3.91Å; C311-L341 WeakPolarHBondContact O-CD1 3.12Å
312	G	81.3	Confident	91.3	Very high	28 Å²	28	52 Å²	52	29%	0.289	25%	0.253	S	S	.	.			trans	60.2	13.8	-175.1	0	0	0	0	0	114.3	Q310 R366	Q310-G312 PolarHBondContact O-N 2.72Å; G312-R366 WeakPolarHBondContact O-CD 3.23Å; G312-R366 PolarHBondContact O-NE 3.44Å; G312-R366 PolarHBondContact O-NH1 2.79Å
313	C	83.2	Confident	91.3	Very high	13 Å²	13	58 Å²	58	9%	0.088	28%	0.277	C	S	.	.			trans	-72.8	152.9	-174.3	-59.4	0	0	0	0	112.1	C311 L317 L318 V362	C311-C313 HydrophobicContact CB-CB 4.44Å; C311-C313 WeakPolarHBondContact CB-SG 3.37Å; C311-C313 PolarHBondContact O-N 2.75Å; C311-C313 PolarHBondContact O-SG 2.99Å; C311-C313 VanDerWaalsContact O-SG 3.38Å; C311-C313 WeakPolarHBondContact SG-CB 3.28Å; C311-C313 CovalentContact SG-SG 2.04Å; C311-C313 PolarHBondContact SG-SG 3.07Å; C313-L317 HydrophobicContact CB-CB 4.5Å; C313-L317 HydrophobicContact CB-CD2 4.15Å; C313-L317 HydrophobicContact CB-CG 4.41Å; C313-L318 HydrophobicContact CB-CD2 4.1Å; C313-L318 HydrophobicContact CB-CG 4.2Å; C313-V362 WeakPolarHBondContact SG-CG1 3.29Å
314	S	86	Confident	91.1	Very high	46 Å²	46	59.5 Å²	59.5	32%	0.322	28%	0.282	S	S	.	.			trans	-66	151.4	177.8	71	0	0	0	0	111.6	R316 L317 L318	S314-R316 PolarHBondContact O-N 2.98Å; S314-L317 PolarHBondContact O-N 3.35Å; S314-L317 PolarHBondContact OG-N 2.77Å; S314-L318 PolarHBondContact O-N 3.32Å
315	R	90.1	Very high	91	Very high	184 Å²	184	66 Å²	66	69%	0.694	32%	0.317	S	S	*	.	H	α-helix	trans	-50.9	-43	176.9	176.2	171.8	69.4	87.2	-7.2	112.1	L317 L318 E319	R315-L317 VanDerWaalsContact C-N 3.31Å; R315-L317 PolarHBondContact O-N 2.94Å; R315-L318 PolarHBondContact O-N 3.43Å; R315-E319 WeakPolarHBondContact CD-OE1 3.49Å; R315-E319 HydrophobicContact CG-CG 4.35Å; R315-E319 WeakPolarHBondContact CG-OE1 3.01Å; R315-E319 IonicContact CZ-OE1 3.62Å; R315-E319 IonicContact NE-OE1 2.72Å; R315-E319 IonicContact NH1-OE1 2.94Å; R315-E319 PolarHBondContact NH1-OE1 2.91Å; R315-E319 IonicContact NH1-OE2 3.85Å; R315-E319 PolarHBondContact NH1-OE2 2.14Å; R315-E319 WeakPolarHBondContact O-CB 3.19Å; R315-E319 WeakPolarHBondContact O-CG 3.32Å; R315-E319 PolarHBondContact O-N 3.12Å
316	R	91.2	Very high	90.7	Very high	131 Å²	131	69.3 Å²	69.3	49%	0.494	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-37.2	178.4	-162.2	174.3	175.7	-175.9	1.8	112.1	S314 L320 P405 L406	S314-R316 PolarHBondContact O-N 2.98Å; R316-L320 WeakPolarHBondContact O-CD1 3.46Å; R316-L320 VanDerWaalsContact O-CG 3.25Å; R316-L320 WeakPolarHBondContact O-CG 3.23Å; R316-L320 PolarHBondContact O-N 1.93Å; R316-P405 PolarHBondContact NE-O 3.14Å; R316-P405 PolarHBondContact NH2-O 3.05Å; R316-L406 HydrophobicContact CB-CD2 4.1Å; R316-L406 HydrophobicContact CG-CD2 3.89Å; R316-L406 VanDerWaalsContact CZ-O 3.28Å; R316-L406 PolarHBondContact NH1-O 2.72Å; R316-L406 PolarHBondContact NH2-O 2.79Å
317	L	91.9	Very high	90.5	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-75.2	-38.2	175.7	-176.3	53.2	0	0	0	112.3	C313 S314 R315 E319 L320 L321 V362 F365 F402	C313-L317 HydrophobicContact CB-CB 4.5Å; C313-L317 HydrophobicContact CB-CD2 4.15Å; C313-L317 HydrophobicContact CB-CG 4.41Å; S314-L317 PolarHBondContact O-N 3.35Å; S314-L317 PolarHBondContact OG-N 2.77Å; R315-L317 VanDerWaalsContact C-N 3.31Å; R315-L317 PolarHBondContact O-N 2.94Å; L317-E319 VanDerWaalsContact C-N 3.33Å; L317-E319 PolarHBondContact O-N 2.91Å; L317-L320 PolarHBondContact O-N 3.11Å; L317-L321 WeakPolarHBondContact O-CG 3.45Å; L317-L321 PolarHBondContact O-N 3.12Å; L317-V362 HydrophobicContact CD2-CG1 4.14Å; L317-F365 HydrophobicContact CD1-CD2 4.15Å; L317-F365 HydrophobicContact CD2-CB 4.2Å; L317-F365 HydrophobicContact CD2-CD2 4.41Å; L317-F402 HydrophobicContact CD1-CD1 3.66Å; L317-F402 HydrophobicContact CD1-CE1 4.2Å
318	L	92.3	Very high	90.4	Very high	51 Å²	51	75.4 Å²	75.4	27%	0.267	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-37.8	173.2	-65.7	172.4	0	0	0	112.2	W308 C313 S314 R315 L321 K322	W308-L318 HydrophobicContact CB-CD2 4.07Å; W308-L318 WeakPolarHBondContact O-CD2 3.22Å; C313-L318 HydrophobicContact CB-CD2 4.1Å; C313-L318 HydrophobicContact CB-CG 4.2Å; S314-L318 PolarHBondContact O-N 3.32Å; R315-L318 PolarHBondContact O-N 3.43Å; L318-L321 HydrophobicContact CD2-CD1 4.41Å; L318-L321 PolarHBondContact O-N 2.88Å; L318-K322 WeakPolarHBondContact O-CB 3.35Å; L318-K322 PolarHBondContact O-N 3.34Å
319	E	93.3	Very high	90.4	Very high	96 Å²	96	75.4 Å²	75.4	45%	0.449	36%	0.361	S	S	.	.	H	α-helix	trans	-65.4	-37.1	173.5	-76.2	165.3	-177.4	0	0	112.2	R315 L317 K323	R315-E319 WeakPolarHBondContact CD-OE1 3.49Å; R315-E319 HydrophobicContact CG-CG 4.35Å; R315-E319 WeakPolarHBondContact CG-OE1 3.01Å; R315-E319 IonicContact CZ-OE1 3.62Å; R315-E319 IonicContact NE-OE1 2.72Å; R315-E319 IonicContact NH1-OE1 2.94Å; R315-E319 PolarHBondContact NH1-OE1 2.91Å; R315-E319 IonicContact NH1-OE2 3.85Å; R315-E319 PolarHBondContact NH1-OE2 2.14Å; R315-E319 WeakPolarHBondContact O-CB 3.19Å; R315-E319 WeakPolarHBondContact O-CG 3.32Å; R315-E319 PolarHBondContact O-N 3.12Å; L317-E319 VanDerWaalsContact C-N 3.33Å; L317-E319 PolarHBondContact O-N 2.91Å; E319-K323 VanDerWaalsContact O-CB 3.24Å; E319-K323 WeakPolarHBondContact O-CB 3.41Å; E319-K323 PolarHBondContact O-N 3.19Å
320	L	93.5	Very high	90.5	Very high	12 Å²	12	73.8 Å²	73.8	6%	0.063	34%	0.343	C	S	.	.	H	α-helix	trans	-68.6	-43.7	173.3	-69.3	164.7	0	0	0	112.1	R316 L317 K322 K323 Y324 F402 P405 L406	R316-L320 WeakPolarHBondContact O-CD1 3.46Å; R316-L320 VanDerWaalsContact O-CG 3.25Å; R316-L320 WeakPolarHBondContact O-CG 3.23Å; R316-L320 PolarHBondContact O-N 1.93Å; L317-L320 PolarHBondContact O-N 3.11Å; L320-K322 VanDerWaalsContact C-N 3.31Å; L320-K322 PolarHBondContact O-N 3.19Å; L320-K323 HydrophobicContact CD2-CD 4.48Å; L320-K323 PolarHBondContact O-N 3.5Å; L320-K323 VanDerWaalsContact O-N 3.17Å; L320-Y324 HydrophobicContact CB-CE2 4.37Å; L320-Y324 HydrophobicContact CD2-CE2 4.14Å; L320-Y324 WeakPolarHBondContact O-CD2 3.41Å; L320-Y324 PolarHBondContact O-N 3.48Å; L320-F402 HydrophobicContact CB-CD1 3.83Å; L320-F402 HydrophobicContact CB-CE1 3.95Å; L320-F402 HydrophobicContact CD1-CD1 4.31Å; L320-P405 HydrophobicContact CD1-CB 3.97Å; L320-P405 HydrophobicContact CD2-CB 3.61Å; L320-P405 HydrophobicContact CD2-CG 3.93Å; L320-P405 HydrophobicContact CG-CB 4.41Å; L320-L406 HydrophobicContact CD1-CD2 4.23Å; L320-L406 HydrophobicContact CD1-CG 4.12Å
321	L	93	Very high	90.5	Very high	2 Å²	2	74.7 Å²	74.7	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-44.9	174.3	-73.4	165.1	0	0	0	111.2	W308 L317 L318 Y324 N325 Y326 V362 F402	W308-L321 HydrophobicContact CB-CD1 4.48Å; W308-L321 HydrophobicContact CD2-CD1 3.94Å; W308-L321 HydrophobicContact CE3-CD1 3.69Å; W308-L321 HydrophobicContact CE3-CD2 4.47Å; W308-L321 HydrophobicContact CG-CD1 4.3Å; W308-L321 HydrophobicContact CH2-CD2 4.31Å; W308-L321 HydrophobicContact CZ2-CD2 4.35Å; W308-L321 HydrophobicContact CZ3-CD1 4.2Å; W308-L321 HydrophobicContact CZ3-CD2 4.36Å; L317-L321 WeakPolarHBondContact O-CG 3.45Å; L317-L321 PolarHBondContact O-N 3.12Å; L318-L321 HydrophobicContact CD2-CD1 4.41Å; L318-L321 PolarHBondContact O-N 2.88Å; L321-Y324 CarbonylContact O-C 3.58Å; L321-Y324 PolarHBondContact O-N 3.02Å; L321-N325 PolarHBondContact O-N 2.73Å; L321-Y326 HydrophobicContact CD2-CD2 3.96Å; L321-Y326 HydrophobicContact CD2-CG 4.22Å; L321-Y326 PolarHBondContact O-N 3.11Å; L321-V362 HydrophobicContact CD2-CG2 4.32Å; L321-F402 HydrophobicContact CD2-CE1 4.09Å; L321-F402 HydrophobicContact CD2-CZ 4.28Å; L321-F402 HydrophobicContact CG-CE1 4.3Å
322	K	93	Very high	90.8	Very high	172 Å²	172	74.7 Å²	74.7	75%	0.748	35%	0.35	S	S	*	.	H	α-helix	trans	-64.2	-42.1	174.1	-171.8	177.7	-178.8	-178.8	0	112.6	L318 L320 Y324 N325	L318-K322 WeakPolarHBondContact O-CB 3.35Å; L318-K322 PolarHBondContact O-N 3.34Å; L320-K322 VanDerWaalsContact C-N 3.31Å; L320-K322 PolarHBondContact O-N 3.19Å; K322-Y324 PolarHBondContact O-N 3.19Å; K322-N325 PolarHBondContact O-N 3.2Å; K322-N325 VanDerWaalsContact O-N 3.09Å
323	K	94	Very high	91.5	Very high	144 Å²	144	73.7 Å²	73.7	63%	0.626	34%	0.338	S	S	*	.	H	α-helix	trans	-62.2	-30	178.1	-179.9	-178.2	177.3	-177	0	113	E319 L320	E319-K323 VanDerWaalsContact O-CB 3.24Å; E319-K323 WeakPolarHBondContact O-CB 3.41Å; E319-K323 PolarHBondContact O-N 3.19Å; L320-K323 HydrophobicContact CD2-CD 4.48Å; L320-K323 PolarHBondContact O-N 3.5Å; L320-K323 VanDerWaalsContact O-N 3.17Å
324	Y	91.1	Very high	92.1	Very high	71 Å²	71	73.1 Å²	73.1	28%	0.278	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	16.5	176.4	-60.7	-55.6	0	0	0	113.3	L320 L321 K322 Y326 R401 F402	L320-Y324 HydrophobicContact CB-CE2 4.37Å; L320-Y324 HydrophobicContact CD2-CE2 4.14Å; L320-Y324 WeakPolarHBondContact O-CD2 3.41Å; L320-Y324 PolarHBondContact O-N 3.48Å; L321-Y324 CarbonylContact O-C 3.58Å; L321-Y324 PolarHBondContact O-N 3.02Å; K322-Y324 PolarHBondContact O-N 3.19Å; Y324-Y326 VanDerWaalsContact C-N 3.31Å; Y324-Y326 VanDerWaalsContact CB-CE2 3.46Å; Y324-Y326 HydrophobicContact CG-CE2 4.49Å; Y324-Y326 PolarHBondContact O-N 3.08Å; Y324-R401 HydrophobicContact CE2-CB 4.08Å; Y324-R401 PolarHBondContact OH-O 3.07Å; Y324-F402 AromaticContact CD2-CE1 3.92Å; Y324-F402 HydrophobicContact CD2-CE1 3.92Å; Y324-F402 HydrophobicContact CD2-CE2 4.3Å; Y324-F402 AromaticContact CD2-CZ 3.76Å; Y324-F402 HydrophobicContact CD2-CZ 3.76Å; Y324-F402 HydrophobicContact CE2-CE1 4.33Å; Y324-F402 HydrophobicContact CE2-CZ 4.35Å
325	N	91.1	Very high	92.6	Very high	137 Å²	137	70.9 Å²	70.9	73%	0.733	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	29	175.3	-57.4	-18.2	0	0	0	115.4	L321 K322 E327	L321-N325 PolarHBondContact O-N 2.73Å; K322-N325 PolarHBondContact O-N 3.2Å; K322-N325 VanDerWaalsContact O-N 3.09Å; N325-E327 PolarHBondContact O-N 2.73Å; N325-E327 VanDerWaalsContact O-N 3.15Å
326	Y	90	Very high	92.9	Very high	70 Å²	70	62.1 Å²	62.1	28%	0.275	29%	0.285	S	S	.	.			trans	-80.4	91.6	171.4	-64	-70.5	0	0	0	110.4	W308 L321 Y324 L358 F402	W308-Y326 PolarHBondContact NE1-O 2.96Å; L321-Y326 HydrophobicContact CD2-CD2 3.96Å; L321-Y326 HydrophobicContact CD2-CG 4.22Å; L321-Y326 PolarHBondContact O-N 3.11Å; Y324-Y326 VanDerWaalsContact C-N 3.31Å; Y324-Y326 VanDerWaalsContact CB-CE2 3.46Å; Y324-Y326 HydrophobicContact CG-CE2 4.49Å; Y324-Y326 PolarHBondContact O-N 3.08Å; Y326-L358 HydrophobicContact CD1-CD1 3.91Å; Y326-L358 HydrophobicContact CD2-CD1 4.26Å; Y326-L358 HydrophobicContact CE1-CD1 3.53Å; Y326-L358 HydrophobicContact CE2-CD1 3.9Å; Y326-L358 HydrophobicContact CG-CD1 4.27Å; Y326-F402 HydrophobicContact CD2-CZ 4.4Å; Y326-F402 HydrophobicContact CE2-CZ 4.01Å
327	E	89.1	Confident	93.1	Very high	171 Å²	171	55.9 Å²	55.9	80%	0.799	26%	0.262	S	S	*	.			trans	-71.7	-44.1	-176	-59.9	-167	162.6	0	0	113.9	N325	N325-E327 PolarHBondContact O-N 2.73Å; N325-E327 VanDerWaalsContact O-N 3.15Å
328	K	91.4	Very high	93.3	Very high	156 Å²	156	55.8 Å²	55.8	68%	0.678	26%	0.261	S	S	*	.	S	Bend	trans	-139.2	152.3	-175.5	-64.3	176	-172.5	167.3	0	110.3	W308	W308-K328 PolarHBondContact NE1-O 2.75Å
329	P	93.3	Very high	93.4	Very high	15 Å²	15	53.4 Å²	53.4	10%	0.097	25%	0.248	C	C	.	.			trans	-69.7	146.4	170.4	29.8	-34.3	0	0	0	111.3	I305 W308 Q333 A334	I305-P329 HydrophobicContact CD1-CG 4.4Å; I305-P329 HydrophobicContact CG1-CG 4.23Å; W308-P329 HydrophobicContact CH2-CB 4.25Å; W308-P329 HydrophobicContact CZ2-CB 4.15Å; W308-P329 HydrophobicContact CZ3-CB 4.48Å; P329-Q333 HydrophobicContact CB-CB 3.88Å; P329-A334 HydrophobicContact CB-CB 4.48Å; P329-A334 HydrophobicContact CG-CB 4.4Å
330	T	92.2	Very high	93.6	Very high	43 Å²	43	48.9 Å²	48.9	26%	0.264	23%	0.227	S	C	.	.			trans	-71.5	162.1	168.3	65.7	0	0	0	0	111.1	I332 Q333 A334 S354	T330-I332 VanDerWaalsContact C-N 3.32Å; T330-I332 PolarHBondContact O-N 2.82Å; T330-Q333 CarbonylContact O-C 3.57Å; T330-Q333 WeakPolarHBondContact O-CA 3.44Å; T330-Q333 WeakPolarHBondContact O-CB 3.49Å; T330-Q333 PolarHBondContact O-N 2.97Å; T330-Q333 VanDerWaalsContact OG1-CG 3.28Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.4Å; T330-Q333 PolarHBondContact OG1-OE1 2.91Å; T330-A334 WeakPolarHBondContact O-CB 3.43Å; T330-A334 PolarHBondContact O-N 3.08Å; T330-S354 VanDerWaalsContact CB-O 3.27Å; T330-S354 WeakPolarHBondContact CB-O 3.44Å; T330-S354 PolarHBondContact OG1-O 3.16Å
331	P	93.1	Very high	93.7	Very high	25 Å²	25	48.4 Å²	48.4	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-46.8	-47.7	177.1	-35.1	39	0	0	0	115.2	L291 E292 I294 Q333 A334 Q335 V517	L291-P331 HydrophobicContact CB-CB 4.05Å; L291-P331 HydrophobicContact CB-CG 4.22Å; L291-P331 HydrophobicContact CD2-CG 4.19Å; L291-P331 WeakPolarHBondContact O-CB 3.43Å; E292-P331 HydrophobicContact CG-CG 4.13Å; I294-P331 HydrophobicContact CD1-CB 4.12Å; I294-P331 VanDerWaalsContact CD1-O 3.29Å; I294-P331 WeakPolarHBondContact CD1-O 3.41Å; I294-P331 HydrophobicContact CG1-CB 4.47Å; P331-Q333 PolarHBondContact O-N 3.22Å; P331-A334 WeakPolarHBondContact O-CB 3.47Å; P331-A334 PolarHBondContact O-N 3.48Å; P331-Q335 PolarHBondContact O-N 2.97Å; P331-V517 HydrophobicContact CB-CG1 3.72Å; P331-V517 HydrophobicContact CB-CG2 4.34Å
332	I	93.7	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.1	-39.4	179.3	-172.5	60.8	0	0	0	111.6	T330 S336 A350 S354 K356 F493 V515 V517	T330-I332 VanDerWaalsContact C-N 3.32Å; T330-I332 PolarHBondContact O-N 2.82Å; I332-S336 VanDerWaalsContact O-CB 3.27Å; I332-S336 WeakPolarHBondContact O-CB 3.39Å; I332-S336 PolarHBondContact O-N 2.82Å; I332-S336 PolarHBondContact O-OG 3.09Å; I332-A350 HydrophobicContact CB-CB 3.97Å; I332-A350 HydrophobicContact CD1-CB 4.21Å; I332-A350 HydrophobicContact CG1-CB 3.98Å; I332-A350 HydrophobicContact CG2-CB 4.37Å; I332-S354 WeakPolarHBondContact CG2-O 3.35Å; I332-K356 HydrophobicContact CG1-CG 4.4Å; I332-K356 HydrophobicContact CG2-CG 4.31Å; I332-F493 HydrophobicContact CD1-CE1 4.1Å; I332-F493 HydrophobicContact CG1-CE1 3.78Å; I332-V515 HydrophobicContact CD1-CB 4.49Å; I332-V515 HydrophobicContact CD1-CG1 3.99Å; I332-V517 HydrophobicContact CB-CG2 3.91Å; I332-V517 HydrophobicContact CD1-CG2 3.89Å; I332-V517 HydrophobicContact CG1-CG2 4.47Å
333	Q	95.5	Very high	93.8	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-42.5	174.4	-69.3	163.9	5.1	0	0	111.3	W308 P329 T330 P331 Q335 I337 G355 A359	W308-Q333 VanDerWaalsContact CH2-OE1 3.26Å; P329-Q333 HydrophobicContact CB-CB 3.88Å; T330-Q333 CarbonylContact O-C 3.57Å; T330-Q333 WeakPolarHBondContact O-CA 3.44Å; T330-Q333 WeakPolarHBondContact O-CB 3.49Å; T330-Q333 PolarHBondContact O-N 2.97Å; T330-Q333 VanDerWaalsContact OG1-CG 3.28Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.4Å; T330-Q333 PolarHBondContact OG1-OE1 2.91Å; P331-Q333 PolarHBondContact O-N 3.22Å; Q333-Q335 PolarHBondContact O-N 3.35Å; Q333-I337 HydrophobicContact CB-CD1 3.82Å; Q333-I337 HydrophobicContact CB-CG1 4.43Å; Q333-I337 HydrophobicContact CG-CD1 4.3Å; Q333-I337 VanDerWaalsContact O-CB 3.28Å; Q333-I337 WeakPolarHBondContact O-CB 3.5Å; Q333-I337 VanDerWaalsContact O-CG1 3.25Å; Q333-I337 WeakPolarHBondContact O-CG1 3.46Å; Q333-I337 PolarHBondContact O-N 3.38Å; Q333-I337 VanDerWaalsContact O-N 3.09Å; Q333-G355 PolarHBondContact NE2-O 3.3Å; Q333-A359 HydrophobicContact CB-CB 4.45Å; Q333-A359 HydrophobicContact CG-CB 3.77Å
334	A	95.8	Very high	93.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-43.5	-178	0	0	0	0	0	112.4	L291 P304 I305 P329 T330 P331 P338	L291-A334 HydrophobicContact CD1-CB 3.89Å; P304-A334 CarbonylContact C-O 3.51Å; P304-A334 WeakPolarHBondContact CA-O 3.38Å; P304-A334 HydrophobicContact CB-CB 4.38Å; I305-A334 PolarHBondContact N-O 3.36Å; I305-A334 WeakPolarHBondContact O-CB 3.14Å; P329-A334 HydrophobicContact CB-CB 4.48Å; P329-A334 HydrophobicContact CG-CB 4.4Å; T330-A334 WeakPolarHBondContact O-CB 3.43Å; T330-A334 PolarHBondContact O-N 3.08Å; P331-A334 WeakPolarHBondContact O-CB 3.47Å; P331-A334 PolarHBondContact O-N 3.48Å; A334-P338 VanDerWaalsContact O-CD 3.29Å; A334-P338 WeakPolarHBondContact O-CD 3.4Å; A334-P338 WeakPolarHBondContact O-CG 3.29Å
335	Q	95.7	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-91.2	-34.5	180	-175.2	59.3	96.8	0	0	114	R288 I294 V296 C301 P302 P304 P331 Q333 V515	R288-Q335 VanDerWaalsContact CZ-OE1 3.31Å; I294-Q335 HydrophobicContact CD1-CB 3.98Å; I294-Q335 HydrophobicContact CG2-CB 4.07Å; I294-Q335 HydrophobicContact CG2-CG 4.01Å; V296-Q335 HydrophobicContact CG2-CG 3.89Å; C301-Q335 PolarHBondContact SG-NE2 3.25Å; C301-Q335 VanDerWaalsContact SG-NE2 3.44Å; P302-Q335 PolarHBondContact O-NE2 2.79Å; P304-Q335 HydrophobicContact CB-CB 4.16Å; P331-Q335 PolarHBondContact O-N 2.97Å; Q333-Q335 PolarHBondContact O-N 3.35Å; Q335-V515 HydrophobicContact CB-CG1 3.93Å; Q335-V515 HydrophobicContact CG-CG1 3.69Å; Q335-V515 HydrophobicContact CG-CG2 3.98Å
336	S	96.1	Very high	94.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-82.3	-36.5	-175.6	64.7	0	0	0	0	114.2	I332 A339 I340	I332-S336 VanDerWaalsContact O-CB 3.27Å; I332-S336 WeakPolarHBondContact O-CB 3.39Å; I332-S336 PolarHBondContact O-N 2.82Å; I332-S336 PolarHBondContact O-OG 3.09Å; S336-A339 WeakPolarHBondContact O-CB 3.45Å; S336-A339 PolarHBondContact O-N 3.48Å; S336-A339 VanDerWaalsContact O-N 3.11Å; S336-I340 VanDerWaalsContact O-CG1 3.27Å; S336-I340 WeakPolarHBondContact O-CG1 3.25Å; S336-I340 PolarHBondContact O-N 2.95Å
337	I	96.2	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.1	-49.8	179.2	-66.5	174.3	0	0	0	112.6	W308 C311 Q333 A339 I340 L341 V362	W308-I337 HydrophobicContact CH2-CD1 4.28Å; W308-I337 HydrophobicContact CZ3-CD1 3.7Å; C311-I337 HydrophobicContact CB-CG2 3.91Å; Q333-I337 HydrophobicContact CB-CD1 3.82Å; Q333-I337 HydrophobicContact CB-CG1 4.43Å; Q333-I337 HydrophobicContact CG-CD1 4.3Å; Q333-I337 VanDerWaalsContact O-CB 3.28Å; Q333-I337 WeakPolarHBondContact O-CB 3.5Å; Q333-I337 VanDerWaalsContact O-CG1 3.25Å; Q333-I337 WeakPolarHBondContact O-CG1 3.46Å; Q333-I337 PolarHBondContact O-N 3.38Å; Q333-I337 VanDerWaalsContact O-N 3.09Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-A339 PolarHBondContact O-N 3.5Å; I337-I340 PolarHBondContact O-N 3.05Å; I337-L341 HydrophobicContact CG2-CD1 3.89Å; I337-L341 HydrophobicContact CG2-CG 4.46Å; I337-L341 WeakPolarHBondContact O-CB 3.47Å; I337-L341 WeakPolarHBondContact O-CG 3.27Å; I337-L341 PolarHBondContact O-N 3.01Å; I337-V362 HydrophobicContact CD1-CB 4.35Å; I337-V362 HydrophobicContact CD1-CG1 4.35Å
338	P	95.5	Very high	94.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-36.1	176.6	26.3	-35.1	0	0	0	112.3	Y270 P302 I305 A334 I340 L341 C342	Y270-P338 HydrophobicContact CD1-CB 4.42Å; Y270-P338 HydrophobicContact CD2-CB 4.17Å; Y270-P338 HydrophobicContact CE1-CB 3.98Å; Y270-P338 HydrophobicContact CE2-CB 3.72Å; P302-P338 HydrophobicContact CB-CB 4.21Å; P302-P338 HydrophobicContact CG-CB 3.88Å; P302-P338 HydrophobicContact CG-CG 4.36Å; I305-P338 HydrophobicContact CG2-CB 4.36Å; I305-P338 HydrophobicContact CG2-CG 4.22Å; A334-P338 VanDerWaalsContact O-CD 3.29Å; A334-P338 WeakPolarHBondContact O-CD 3.4Å; A334-P338 WeakPolarHBondContact O-CG 3.29Å; P338-I340 PolarHBondContact O-N 3.46Å; P338-L341 PolarHBondContact O-N 3.41Å; P338-C342 PolarHBondContact O-N 3.38Å; P338-C342 PolarHBondContact O-SG 3.32Å
339	A	95.8	Very high	94.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.9	-41.1	177.8	0	0	0	0	0	112.4	P302 S336 I337 C342 V346 I513	P302-A339 HydrophobicContact CG-CB 4.17Å; S336-A339 WeakPolarHBondContact O-CB 3.45Å; S336-A339 PolarHBondContact O-N 3.48Å; S336-A339 VanDerWaalsContact O-N 3.11Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-A339 PolarHBondContact O-N 3.5Å; A339-C342 PolarHBondContact O-N 3.22Å; A339-V346 HydrophobicContact CB-CG2 3.92Å; A339-I513 HydrophobicContact CB-CD1 3.98Å
340	I	96.7	Very high	94.5	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-66.9	-42	174.2	-63.8	167.7	0	0	0	110.4	S336 I337 P338 C342 G343 V346 A359 P363 Y459 Q489 I491 F493	S336-I340 VanDerWaalsContact O-CG1 3.27Å; S336-I340 WeakPolarHBondContact O-CG1 3.25Å; S336-I340 PolarHBondContact O-N 2.95Å; I337-I340 PolarHBondContact O-N 3.05Å; P338-I340 PolarHBondContact O-N 3.46Å; I340-C342 VanDerWaalsContact C-N 3.26Å; I340-C342 PolarHBondContact O-N 2.98Å; I340-G343 PolarHBondContact O-N 3.08Å; I340-V346 HydrophobicContact CG1-CB 4.1Å; I340-V346 HydrophobicContact CG1-CG1 4.42Å; I340-V346 HydrophobicContact CG1-CG2 3.8Å; I340-A359 WeakPolarHBondContact CD1-O 3.31Å; I340-P363 HydrophobicContact CB-CB 4.19Å; I340-P363 HydrophobicContact CB-CG 4.06Å; I340-P363 HydrophobicContact CD1-CG 4.04Å; I340-P363 HydrophobicContact CG2-CB 3.59Å; I340-P363 HydrophobicContact CG2-CG 3.67Å; I340-Y459 HydrophobicContact CG2-CE2 3.73Å; I340-Q489 PolarHBondContact O-NE2 2.91Å; I340-I491 HydrophobicContact CD1-CD1 4.21Å; I340-I491 HydrophobicContact CD1-CG2 4.2Å; I340-I491 HydrophobicContact CG1-CD1 4.12Å; I340-I491 HydrophobicContact CG1-CG1 4.4Å; I340-I491 HydrophobicContact CG2-CD1 3.6Å; I340-F493 HydrophobicContact CD1-CE2 4.22Å; I340-F493 HydrophobicContact CD1-CZ 4.41Å
341	L	95.3	Very high	93.7	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-70.1	-18.9	179.9	-70.7	174.7	0	0	0	114.3	F269 Y270 C311 I337 P338 G343 P363 R366	F269-L341 HydrophobicContact CD2-CD2 4.31Å; F269-L341 PolarHBondContact N-O 3.36Å; Y270-L341 HydrophobicContact CD2-CB 4.26Å; Y270-L341 HydrophobicContact CD2-CD1 4.47Å; Y270-L341 HydrophobicContact CG-CB 4.41Å; Y270-L341 PolarHBondContact N-O 2.66Å; C311-L341 WeakPolarHBondContact O-CD1 3.12Å; I337-L341 HydrophobicContact CG2-CD1 3.89Å; I337-L341 HydrophobicContact CG2-CG 4.46Å; I337-L341 WeakPolarHBondContact O-CB 3.47Å; I337-L341 WeakPolarHBondContact O-CG 3.27Å; I337-L341 PolarHBondContact O-N 3.01Å; P338-L341 PolarHBondContact O-N 3.41Å; L341-G343 PolarHBondContact O-N 3Å; L341-P363 HydrophobicContact CD2-CB 3.61Å; L341-P363 HydrophobicContact CG-CB 3.88Å; L341-R366 HydrophobicContact CD2-CB 4.18Å; L341-R366 HydrophobicContact CD2-CG 4.15Å
342	C	93.9	Very high	92.8	Very high	35 Å²	35	12.2 Å²	12.2	24%	0.236	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	6.7	165.1	-71.4	0	0	0	0	113.6	D268 P338 A339 I340 R344	D268-C342 WeakPolarHBondContact OD1-CA 3.49Å; P338-C342 PolarHBondContact O-N 3.38Å; P338-C342 PolarHBondContact O-SG 3.32Å; A339-C342 PolarHBondContact O-N 3.22Å; I340-C342 VanDerWaalsContact C-N 3.26Å; I340-C342 PolarHBondContact O-N 2.98Å; C342-R344 HydrophobicContact CB-CG 4.25Å; C342-R344 PolarHBondContact O-N 3.46Å
343	G	93.5	Very high	91.7	Very high	10 Å²	10	15.5 Å²	15.5	10%	0.103	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	13.5	177	0	0	0	0	0	115.1	K267 I340 L341	K267-G343 WeakPolarHBondContact O-CA 3.34Å; K267-G343 PolarHBondContact O-N 2.91Å; I340-G343 PolarHBondContact O-N 3.08Å; L341-G343 PolarHBondContact O-N 3Å
344	R	94.7	Very high	90.9	Very high	59 Å²	59	15.9 Å²	15.9	22%	0.223	10%	0.1	C	C	.	.			trans	-89.2	147.9	-176.6	-65	-70.5	-62.7	-73.1	-3	111.1	K299 N300 C342 Q489 K511 I513	K299-R344 PolarHBondContact O-NH1 3.42Å; K299-R344 PolarHBondContact O-NH2 3.46Å; K299-R344 VanDerWaalsContact O-NH2 3.1Å; N300-R344 PolarHBondContact O-NH1 3.14Å; C342-R344 HydrophobicContact CB-CG 4.25Å; C342-R344 PolarHBondContact O-N 3.46Å; R344-Q489 PolarHBondContact O-NE2 2.69Å; R344-K511 PolarHBondContact NH2-O 3.45Å; R344-I513 HydrophobicContact CB-CD1 3.93Å; R344-I513 HydrophobicContact CG-CD1 4.02Å
345	D	96.9	Very high	90.4	Very high	6 Å²	6	17 Å²	17	3%	0.032	11%	0.111	C	C	.	.			trans	-66.6	142	165.7	-75.6	12.7	0	0	0	109.8	Q489 T490 L509 Q510 P512 I513	D345-Q489 WeakPolarHBondContact OD1-CA 3.32Å; D345-T490 WeakPolarHBondContact CA-O 3.1Å; D345-T490 VanDerWaalsContact CB-O 3.26Å; D345-T490 WeakPolarHBondContact CB-O 3.17Å; D345-T490 VanDerWaalsContact CG-O 3.27Å; D345-T490 PolarHBondContact OD1-N 3.49Å; D345-L509 HydrophobicContact CB-CB 4.28Å; D345-L509 HydrophobicContact CB-CD2 3.87Å; D345-L509 WeakPolarHBondContact OD2-CA 3.45Å; D345-Q510 PolarHBondContact OD2-N 3.32Å; D345-P512 HydrophobicContact CB-CB 4.07Å; D345-P512 CarbonylContact O-C 3.56Å; D345-P512 WeakPolarHBondContact O-CA 3.42Å; D345-I513 PolarHBondContact O-N 3.45Å
346	V	96.3	Very high	90.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.1	-171.8	173.6	0	0	0	0	111.3	A339 I340 T490 I491 M492 I513	A339-V346 HydrophobicContact CB-CG2 3.92Å; I340-V346 HydrophobicContact CG1-CB 4.1Å; I340-V346 HydrophobicContact CG1-CG1 4.42Å; I340-V346 HydrophobicContact CG1-CG2 3.8Å; V346-T490 PolarHBondContact N-O 3.36Å; V346-I491 CarbonylContact O-C 3.51Å; V346-I491 WeakPolarHBondContact O-CA 3.41Å; V346-M492 PolarHBondContact O-N 3.1Å; V346-I513 CarbonylContact C-O 3.51Å; V346-I513 WeakPolarHBondContact CA-O 3.44Å; V346-I513 HydrophobicContact CG2-CB 4.49Å
347	I	95.5	Very high	90.1	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.5	168.7	-58.6	159.8	0	0	0	107.3	I349 M492 F497 A505 L509 P512 I513 E514 V515	I347-I349 HydrophobicContact CG2-CD1 4.23Å; I347-I349 HydrophobicContact CG2-CG1 4.09Å; I347-M492 CarbonylContact C-O 3.56Å; I347-M492 WeakPolarHBondContact CA-O 3.34Å; I347-M492 HydrophobicContact CG1-CB 4.47Å; I347-F497 HydrophobicContact CD1-CZ 3.96Å; I347-F497 HydrophobicContact CG2-CD2 4.09Å; I347-F497 HydrophobicContact CG2-CE1 4.5Å; I347-F497 HydrophobicContact CG2-CE2 3.56Å; I347-F497 HydrophobicContact CG2-CZ 3.81Å; I347-A505 HydrophobicContact CD1-CB 4.22Å; I347-L509 HydrophobicContact CD1-CD1 3.76Å; I347-L509 HydrophobicContact CG1-CD1 3.48Å; I347-L509 VanDerWaalsContact CG1-CD1 3.48Å; I347-P512 HydrophobicContact CD1-CB 4.09Å; I347-P512 HydrophobicContact CD1-CG 3.84Å; I347-P512 HydrophobicContact CG1-CB 4.22Å; I347-P512 HydrophobicContact CG1-CG 4.47Å; I347-I513 PolarHBondContact N-O 3.05Å; I347-E514 HydrophobicContact CB-CB 4.4Å; I347-E514 HydrophobicContact CB-CG 4.31Å; I347-E514 HydrophobicContact CG2-CG 4.31Å; I347-E514 WeakPolarHBondContact O-CA 3.21Å; I347-V515 PolarHBondContact O-N 3.47Å
348	G	94	Very high	90	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	106.2	-179.7	0	0	0	0	0	112.3	M492 F493 S494	G348-M492 PolarHBondContact N-O 3.26Å; G348-F493 WeakPolarHBondContact O-CA 3.43Å; G348-F493 WeakPolarHBondContact O-CD1 3.43Å; G348-S494 PolarHBondContact O-N 3.37Å
349	I	91.4	Very high	90	Very high	2 Å²	2	20 Å²	20	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112	179.9	-56.2	160	0	0	0	108.1	I347 F497 E514 V515 T516 V517 R520	I347-I349 HydrophobicContact CG2-CD1 4.23Å; I347-I349 HydrophobicContact CG2-CG1 4.09Å; I349-F497 HydrophobicContact CD1-CB 3.54Å; I349-F497 HydrophobicContact CD1-CD1 3.78Å; I349-F497 HydrophobicContact CD1-CD2 4.1Å; I349-F497 HydrophobicContact CD1-CE1 4.49Å; I349-F497 HydrophobicContact CD1-CG 3.55Å; I349-F497 HydrophobicContact CG1-CB 4Å; I349-F497 HydrophobicContact CG1-CD2 4.29Å; I349-F497 HydrophobicContact CG1-CG 4.14Å; I349-E514 HydrophobicContact CD1-CG 4.12Å; I349-V515 PolarHBondContact N-O 2.91Å; I349-T516 HydrophobicContact CB-CG2 4.46Å; I349-T516 HydrophobicContact CG2-CG2 4.37Å; I349-T516 WeakPolarHBondContact O-CA 3.43Å; I349-V517 PolarHBondContact O-N 3.18Å; I349-R520 HydrophobicContact CG2-CG 4.47Å
350	A	86.3	Confident	90	Very high	2 Å²	2	20 Å²	20	2%	0.017	13%	0.128	C	C	.	.			trans	-156.1	151.9	176.7	0	0	0	0	0	112.1	I332 S354 K356 S494 V517	I332-A350 HydrophobicContact CB-CB 3.97Å; I332-A350 HydrophobicContact CD1-CB 4.21Å; I332-A350 HydrophobicContact CG1-CB 3.98Å; I332-A350 HydrophobicContact CG2-CB 4.37Å; A350-S354 WeakPolarHBondContact CB-OG 3.07Å; A350-K356 HydrophobicContact CB-CD 4.24Å; A350-K356 HydrophobicContact CB-CG 4.4Å; A350-K356 PolarHBondContact O-NZ 3.09Å; A350-S494 PolarHBondContact N-O 3.04Å; A350-V517 HydrophobicContact CB-CB 4.05Å; A350-V517 HydrophobicContact CB-CG2 4.43Å
351	K	76.6	Confident	90.1	Very high	89 Å²	89	20 Å²	20	39%	0.387	13%	0.128	S	C	.	.			trans	-48.8	156.9	178.1	65.7	-169.9	-176.2	-159.3	0	113.7	E292 S354	E292-K351 IonicContact OE1-NZ 2.73Å; E292-K351 PolarHBondContact OE1-NZ 3.25Å; E292-K351 WeakPolarHBondContact OE2-CE 3.28Å; E292-K351 IonicContact OE2-NZ 3.49Å; E292-K351 PolarHBondContact OE2-NZ 2.57Å; K351-S354 VanDerWaalsContact O-CB 3.29Å; K351-S354 WeakPolarHBondContact O-CB 3.37Å; K351-S354 PolarHBondContact O-N 3.38Å; K351-S354 PolarHBondContact O-OG 3.23Å
352	T	72.5	Confident	90	Very high	36 Å²	36	19.9 Å²	19.9	22%	0.221	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	153.2	170.5	46.9	0	0	0	0	110.4	S354 G642	T352-S354 PolarHBondContact O-N 3.03Å; T352-G642 PolarHBondContact OG1-O 3.32Å
353	G	72.2	Confident	90.1	Very high	69 Å²	69	18.2 Å²	18.2	71%	0.711	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	-13.8	-177	0	0	0	0	0	116.7	G355	G353-G355 PolarHBondContact O-N 2.65Å
354	S	78.4	Confident	90.3	Very high	14 Å²	14	17.8 Å²	17.8	10%	0.098	11%	0.111	C	C	.	.	S	Bend	trans	-63.2	1	-177.9	60.9	0	0	0	0	116.8	T330 I332 A350 K351 T352	T330-S354 VanDerWaalsContact CB-O 3.27Å; T330-S354 WeakPolarHBondContact CB-O 3.44Å; T330-S354 PolarHBondContact OG1-O 3.16Å; I332-S354 WeakPolarHBondContact CG2-O 3.35Å; A350-S354 WeakPolarHBondContact CB-OG 3.07Å; K351-S354 VanDerWaalsContact O-CB 3.29Å; K351-S354 WeakPolarHBondContact O-CB 3.37Å; K351-S354 PolarHBondContact O-N 3.38Å; K351-S354 PolarHBondContact O-OG 3.23Å; T352-S354 PolarHBondContact O-N 3.03Å
355	G	85.7	Confident	90.3	Very high	23 Å²	23	15 Å²	15	24%	0.237	10%	0.101	C	C	.	.			trans	85.1	19	175.5	0	0	0	0	0	115.6	Q333 G353 T357 L358 A359	Q333-G355 PolarHBondContact NE2-O 3.3Å; G353-G355 PolarHBondContact O-N 2.65Å; G355-T357 PolarHBondContact O-N 3.31Å; G355-T357 VanDerWaalsContact O-N 3.13Å; G355-L358 PolarHBondContact O-N 3.2Å; G355-A359 PolarHBondContact O-N 2.87Å
356	K	91.4	Very high	90.2	Very high	17 Å²	17	17.8 Å²	17.8	7%	0.074	11%	0.111	C	C	.	.	H	α-helix	trans	-46.7	-39.7	177.8	-66.4	-175.6	-65.6	-159.9	0	113.7	I332 A350 L358 A359 F360 F493 S494	I332-K356 HydrophobicContact CG1-CG 4.4Å; I332-K356 HydrophobicContact CG2-CG 4.31Å; A350-K356 HydrophobicContact CB-CD 4.24Å; A350-K356 HydrophobicContact CB-CG 4.4Å; A350-K356 PolarHBondContact O-NZ 3.09Å; K356-L358 PolarHBondContact O-N 3.47Å; K356-A359 WeakPolarHBondContact O-CA 3.29Å; K356-A359 WeakPolarHBondContact O-CB 3.11Å; K356-A359 PolarHBondContact O-N 2.85Å; K356-F360 VanDerWaalsContact O-CD1 3.23Å; K356-F360 WeakPolarHBondContact O-CD1 3.49Å; K356-F360 PolarHBondContact O-N 3.5Å; K356-F493 HydrophobicContact CB-CD1 3.92Å; K356-F493 HydrophobicContact CB-CE1 4.38Å; K356-F493 HydrophobicContact CB-CG 4.39Å; K356-F493 HydrophobicContact CD-CB 4.47Å; K356-F493 HydrophobicContact CD-CD1 3.88Å; K356-F493 HydrophobicContact CG-CD1 3.85Å; K356-F493 HydrophobicContact CG-CE1 4.3Å; K356-S494 PolarHBondContact NZ-O 2.86Å
357	T	93.5	Very high	90.1	Very high	38 Å²	38	17.9 Å²	17.9	23%	0.233	11%	0.111	C	C	.	.	H	α-helix	trans	-56.6	-46.2	-179	-42.1	0	0	0	0	113.2	G355 A359 F360 L361 I395	G355-T357 PolarHBondContact O-N 3.31Å; G355-T357 VanDerWaalsContact O-N 3.13Å; T357-A359 VanDerWaalsContact C-N 3.3Å; T357-A359 PolarHBondContact O-N 2.98Å; T357-F360 HydrophobicContact CG2-CE2 4.36Å; T357-F360 HydrophobicContact CG2-CZ 3.99Å; T357-L361 HydrophobicContact CG2-CD1 3.85Å; T357-L361 HydrophobicContact CG2-CG 4.38Å; T357-L361 WeakPolarHBondContact O-CB 3.2Å; T357-L361 VanDerWaalsContact O-CG 3.23Å; T357-L361 WeakPolarHBondContact O-CG 3.25Å; T357-L361 PolarHBondContact O-N 3.42Å; T357-I395 HydrophobicContact CG2-CG1 4.12Å; T357-I395 HydrophobicContact CG2-CG2 4.34Å
358	L	94.1	Very high	90.1	Very high	9 Å²	9	17.7 Å²	17.7	5%	0.047	11%	0.111	C	C	.	.	H	α-helix	trans	-73	-24.5	175.3	-69.2	-179.9	0	0	0	112.8	Y326 G355 K356 F360 L361 V362 F402	Y326-L358 HydrophobicContact CD1-CD1 3.91Å; Y326-L358 HydrophobicContact CD2-CD1 4.26Å; Y326-L358 HydrophobicContact CE1-CD1 3.53Å; Y326-L358 HydrophobicContact CE2-CD1 3.9Å; Y326-L358 HydrophobicContact CG-CD1 4.27Å; G355-L358 PolarHBondContact O-N 3.2Å; K356-L358 PolarHBondContact O-N 3.47Å; L358-F360 VanDerWaalsContact C-N 3.27Å; L358-F360 PolarHBondContact O-N 2.88Å; L358-L361 PolarHBondContact O-N 3.22Å; L358-V362 HydrophobicContact CB-CG2 4.31Å; L358-V362 VanDerWaalsContact O-CB 3.29Å; L358-V362 WeakPolarHBondContact O-CB 3.26Å; L358-V362 VanDerWaalsContact O-CG2 3.3Å; L358-V362 WeakPolarHBondContact O-CG2 3.39Å; L358-V362 PolarHBondContact O-N 2.99Å; L358-F402 HydrophobicContact CD2-CD2 4.45Å; L358-F402 HydrophobicContact CD2-CE2 3.73Å; L358-F402 HydrophobicContact CD2-CZ 4.03Å
359	A	95.7	Very high	90.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-33.5	177.8	0	0	0	0	0	112.3	Q333 I340 G355 K356 T357 P363 F493	Q333-A359 HydrophobicContact CB-CB 4.45Å; Q333-A359 HydrophobicContact CG-CB 3.77Å; I340-A359 WeakPolarHBondContact CD1-O 3.31Å; G355-A359 PolarHBondContact O-N 2.87Å; K356-A359 WeakPolarHBondContact O-CA 3.29Å; K356-A359 WeakPolarHBondContact O-CB 3.11Å; K356-A359 PolarHBondContact O-N 2.85Å; T357-A359 VanDerWaalsContact C-N 3.3Å; T357-A359 PolarHBondContact O-N 2.98Å; A359-P363 WeakPolarHBondContact O-CD 3.19Å; A359-P363 WeakPolarHBondContact O-CG 3.19Å; A359-F493 HydrophobicContact CB-CE1 4.24Å; A359-F493 HydrophobicContact CB-CZ 3.83Å
360	F	96.4	Very high	90.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-94	-32.6	169.6	61.1	-104.1	0	0	0	114.7	K356 T357 L358 M364 V384 I395 Y459 V461 D463 F493	K356-F360 VanDerWaalsContact O-CD1 3.23Å; K356-F360 WeakPolarHBondContact O-CD1 3.49Å; K356-F360 PolarHBondContact O-N 3.5Å; T357-F360 HydrophobicContact CG2-CE2 4.36Å; T357-F360 HydrophobicContact CG2-CZ 3.99Å; L358-F360 VanDerWaalsContact C-N 3.27Å; L358-F360 PolarHBondContact O-N 2.88Å; F360-M364 VanDerWaalsContact O-CB 3.27Å; F360-M364 WeakPolarHBondContact O-CB 3.4Å; F360-M364 PolarHBondContact O-N 3.22Å; F360-V384 HydrophobicContact CD2-CG2 4.41Å; F360-V384 HydrophobicContact CE2-CG1 3.93Å; F360-V384 HydrophobicContact CE2-CG2 4.06Å; F360-V384 HydrophobicContact CZ-CG1 4.14Å; F360-I395 HydrophobicContact CE2-CG2 4.1Å; F360-I395 HydrophobicContact CZ-CD1 4.3Å; F360-I395 HydrophobicContact CZ-CG2 4.28Å; F360-Y459 PolarHBondContact O-OH 2.85Å; F360-V461 HydrophobicContact CB-CG1 4.19Å; F360-V461 HydrophobicContact CB-CG2 3.98Å; F360-V461 HydrophobicContact CD1-CG1 3.88Å; F360-V461 HydrophobicContact CD2-CB 4.45Å; F360-V461 HydrophobicContact CD2-CG1 3.95Å; F360-V461 HydrophobicContact CD2-CG2 4.03Å; F360-V461 HydrophobicContact CE1-CG1 4.1Å; F360-V461 HydrophobicContact CE2-CG1 4.2Å; F360-V461 HydrophobicContact CG-CG1 3.78Å; F360-V461 HydrophobicContact CG-CG2 4.16Å; F360-V461 HydrophobicContact CZ-CG1 4.26Å; F360-D463 HydrophobicContact CE1-CB 4.03Å; F360-D463 WeakPolarHBondContact CE1-OD2 3.31Å; F360-D463 HydrophobicContact CZ-CB 4.15Å; F360-D463 WeakPolarHBondContact CZ-OD2 3.47Å; F360-F493 HydrophobicContact CB-CD2 4.2Å; F360-F493 HydrophobicContact CB-CE2 3.88Å; F360-F493 AromaticContact CD1-CD2 3.59Å; F360-F493 HydrophobicContact CD1-CD2 3.59Å; F360-F493 AromaticContact CD1-CE2 3.97Å; F360-F493 HydrophobicContact CD1-CE2 3.97Å; F360-F493 HydrophobicContact CD1-CG 4.24Å; F360-F493 HydrophobicContact CE1-CD2 4.43Å; F360-F493 HydrophobicContact CG-CD2 4.36Å; F360-F493 HydrophobicContact CG-CE2 4.44Å
361	L	96.9	Very high	90.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.9	-42.2	-179.1	-71.6	179.7	0	0	0	113.1	T357 L358 M364 F365 E398 C399	T357-L361 HydrophobicContact CG2-CD1 3.85Å; T357-L361 HydrophobicContact CG2-CG 4.38Å; T357-L361 WeakPolarHBondContact O-CB 3.2Å; T357-L361 VanDerWaalsContact O-CG 3.23Å; T357-L361 WeakPolarHBondContact O-CG 3.25Å; T357-L361 PolarHBondContact O-N 3.42Å; L358-L361 PolarHBondContact O-N 3.22Å; L361-M364 HydrophobicContact CD2-CE 3.45Å; L361-M364 VanDerWaalsContact CD2-CE 3.45Å; L361-M364 HydrophobicContact CD2-SD 4.26Å; L361-M364 WeakPolarHBondContact O-CB 3.5Å; L361-M364 PolarHBondContact O-N 3.32Å; L361-F365 HydrophobicContact CB-CE2 3.9Å; L361-F365 HydrophobicContact CB-CZ 4.19Å; L361-F365 HydrophobicContact CD2-CZ 4.42Å; L361-F365 WeakPolarHBondContact O-CD2 3.22Å; L361-F365 WeakPolarHBondContact O-CE2 3.35Å; L361-F365 WeakPolarHBondContact O-CG 3.08Å; L361-F365 PolarHBondContact O-N 3.19Å; L361-F365 VanDerWaalsContact O-N 3.13Å; L361-E398 HydrophobicContact CD1-CB 4.4Å; L361-E398 HydrophobicContact CD1-CG 4.44Å; L361-C399 HydrophobicContact CD1-CB 4.12Å; L361-C399 HydrophobicContact CD2-CB 3.98Å
362	V	95	Very high	91.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.7	-51.4	-178.9	168.9	0	0	0	0	112.4	W308 C313 L317 L321 I337 L358	W308-V362 HydrophobicContact CZ3-CG1 4.49Å; W308-V362 HydrophobicContact CZ3-CG2 4.27Å; C313-V362 WeakPolarHBondContact SG-CG1 3.29Å; L317-V362 HydrophobicContact CD2-CG1 4.14Å; L321-V362 HydrophobicContact CD2-CG2 4.32Å; I337-V362 HydrophobicContact CD1-CB 4.35Å; I337-V362 HydrophobicContact CD1-CG1 4.35Å; L358-V362 HydrophobicContact CB-CG2 4.31Å; L358-V362 VanDerWaalsContact O-CB 3.29Å; L358-V362 WeakPolarHBondContact O-CB 3.26Å; L358-V362 VanDerWaalsContact O-CG2 3.3Å; L358-V362 WeakPolarHBondContact O-CG2 3.39Å; L358-V362 PolarHBondContact O-N 2.99Å
363	P	95.7	Very high	92.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-35	174.3	19.5	-27.8	0	0	0	113.9	I340 L341 A359 F365 R366 H367 Y459	I340-P363 HydrophobicContact CB-CB 4.19Å; I340-P363 HydrophobicContact CB-CG 4.06Å; I340-P363 HydrophobicContact CD1-CG 4.04Å; I340-P363 HydrophobicContact CG2-CB 3.59Å; I340-P363 HydrophobicContact CG2-CG 3.67Å; L341-P363 HydrophobicContact CD2-CB 3.61Å; L341-P363 HydrophobicContact CG-CB 3.88Å; A359-P363 WeakPolarHBondContact O-CD 3.19Å; A359-P363 WeakPolarHBondContact O-CG 3.19Å; P363-F365 VanDerWaalsContact C-N 3.28Å; P363-F365 PolarHBondContact O-N 2.96Å; P363-R366 PolarHBondContact O-N 3.42Å; P363-H367 PolarHBondContact O-N 2.9Å; P363-Y459 WeakPolarHBondContact CG-OH 3.42Å
364	M	96.7	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.1	-42.2	176.4	-171.8	-175.7	73.6	0	0	112.2	F360 L361 R366 H367 I368 A382 V384 I432 Y459	F360-M364 VanDerWaalsContact O-CB 3.27Å; F360-M364 WeakPolarHBondContact O-CB 3.4Å; F360-M364 PolarHBondContact O-N 3.22Å; L361-M364 HydrophobicContact CD2-CE 3.45Å; L361-M364 VanDerWaalsContact CD2-CE 3.45Å; L361-M364 HydrophobicContact CD2-SD 4.26Å; L361-M364 WeakPolarHBondContact O-CB 3.5Å; L361-M364 PolarHBondContact O-N 3.32Å; M364-R366 VanDerWaalsContact C-N 3.33Å; M364-R366 PolarHBondContact O-N 2.78Å; M364-H367 WeakPolarHBondContact O-CB 3.49Å; M364-H367 PolarHBondContact O-N 3.24Å; M364-I368 HydrophobicContact CE-CD1 4.47Å; M364-I368 HydrophobicContact CG-CD1 3.87Å; M364-I368 VanDerWaalsContact O-CG1 3.3Å; M364-I368 WeakPolarHBondContact O-CG1 3.21Å; M364-I368 PolarHBondContact O-N 2.75Å; M364-A382 HydrophobicContact CG-CB 3.6Å; M364-A382 HydrophobicContact SD-CB 3.59Å; M364-A382 VanDerWaalsContact SD-CB 3.59Å; M364-V384 HydrophobicContact SD-CG2 4.37Å; M364-I432 HydrophobicContact CE-CD1 3.65Å; M364-I432 HydrophobicContact CE-CG1 3.97Å; M364-I432 HydrophobicContact CE-CG2 3.81Å; M364-I432 HydrophobicContact SD-CG2 4.2Å; M364-Y459 HydrophobicContact CB-CD1 3.97Å; M364-Y459 HydrophobicContact CB-CE1 3.43Å; M364-Y459 VanDerWaalsContact CB-CE1 3.43Å; M364-Y459 HydrophobicContact CB-CE2 4.48Å; M364-Y459 HydrophobicContact CG-CD1 3.6Å; M364-Y459 HydrophobicContact CG-CE1 3.58Å; M364-Y459 HydrophobicContact CG-CG 4.32Å; M364-Y459 PolarHBondContact N-OH 2.89Å; M364-Y459 HydrophobicContact SD-CD1 4.24Å; M364-Y459 HydrophobicContact SD-CE1 4.19Å
365	F	95.7	Very high	93.8	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-35.3	177.1	-60.2	-49.4	0	0	0	112.9	L317 L361 P363 L369 F402 L406 L408 I432	L317-F365 HydrophobicContact CD1-CD2 4.15Å; L317-F365 HydrophobicContact CD2-CB 4.2Å; L317-F365 HydrophobicContact CD2-CD2 4.41Å; L361-F365 HydrophobicContact CB-CE2 3.9Å; L361-F365 HydrophobicContact CB-CZ 4.19Å; L361-F365 HydrophobicContact CD2-CZ 4.42Å; L361-F365 WeakPolarHBondContact O-CD2 3.22Å; L361-F365 WeakPolarHBondContact O-CE2 3.35Å; L361-F365 WeakPolarHBondContact O-CG 3.08Å; L361-F365 PolarHBondContact O-N 3.19Å; L361-F365 VanDerWaalsContact O-N 3.13Å; P363-F365 VanDerWaalsContact C-N 3.28Å; P363-F365 PolarHBondContact O-N 2.96Å; F365-L369 WeakPolarHBondContact O-CB 3.48Å; F365-L369 WeakPolarHBondContact O-CD1 3.45Å; F365-L369 WeakPolarHBondContact O-CG 3.24Å; F365-L369 PolarHBondContact O-N 3.33Å; F365-L369 VanDerWaalsContact O-N 3.16Å; F365-F402 HydrophobicContact CD2-CB 4.03Å; F365-F402 HydrophobicContact CE1-CB 4.31Å; F365-F402 HydrophobicContact CE2-CB 3.29Å; F365-F402 HydrophobicContact CE2-CD2 4.39Å; F365-F402 AromaticContact CE2-CG 3.89Å; F365-F402 HydrophobicContact CE2-CG 3.89Å; F365-F402 HydrophobicContact CZ-CB 3.47Å; F365-F402 VanDerWaalsContact CZ-CB 3.47Å; F365-F402 HydrophobicContact CZ-CG 4.39Å; F365-L406 HydrophobicContact CB-CD1 3.74Å; F365-L406 HydrophobicContact CD1-CD1 4.04Å; F365-L406 HydrophobicContact CD2-CD1 4.3Å; F365-L406 HydrophobicContact CG-CD1 3.77Å; F365-L408 HydrophobicContact CD1-CD1 4.09Å; F365-I432 HydrophobicContact CD1-CD1 4.29Å; F365-I432 HydrophobicContact CE1-CD1 3.88Å
366	R	93.8	Very high	93.7	Very high	65 Å²	65	38 Å²	38	25%	0.245	20%	0.199	C	C	.	.	H	α-helix	trans	-69.5	-40.2	174.6	177.5	162.3	172.9	73.3	-6.6	111.4	F269 G312 L341 P363 M364 L369 D370	F269-R366 HydrophobicContact CB-CG 4.33Å; F269-R366 HydrophobicContact CG-CG 4.47Å; F269-R366 PolarHBondContact O-NE 3.07Å; F269-R366 PolarHBondContact O-NH2 2.86Å; G312-R366 WeakPolarHBondContact O-CD 3.23Å; G312-R366 PolarHBondContact O-NE 3.44Å; G312-R366 PolarHBondContact O-NH1 2.79Å; L341-R366 HydrophobicContact CD2-CB 4.18Å; L341-R366 HydrophobicContact CD2-CG 4.15Å; P363-R366 PolarHBondContact O-N 3.42Å; M364-R366 VanDerWaalsContact C-N 3.33Å; M364-R366 PolarHBondContact O-N 2.78Å; R366-L369 PolarHBondContact O-N 2.93Å; R366-D370 PolarHBondContact O-N 3.05Å
367	H	95	Very high	93.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-39.8	177.3	179.9	96.6	0	0	0	113.3	F265 F269 P363 M364 Q371 T458 Y459	F265-H367 AromaticContact CD2-CE1 3.91Å; F265-H367 AromaticContact CE2-CE1 3.78Å; F269-H367 HydrophobicContact CE2-CB 3.98Å; F269-H367 AromaticContact CE2-ND1 3.5Å; F269-H367 HydrophobicContact CZ-CB 4.2Å; F269-H367 AromaticContact CZ-ND1 3.59Å; P363-H367 PolarHBondContact O-N 2.9Å; M364-H367 WeakPolarHBondContact O-CB 3.49Å; M364-H367 PolarHBondContact O-N 3.24Å; H367-Q371 PolarHBondContact CD2-NE2 3.34Å; H367-Q371 PolarHBondContact NE2-NE2 2.67Å; H367-T458 WeakPolarHBondContact NE2-CB 3.47Å; H367-T458 PolarHBondContact NE2-OG1 3.26Å; H367-Y459 HydrophobicContact CB-CD2 4.15Å; H367-Y459 AromaticContact CG-CD2 3.85Å; H367-Y459 AromaticContact ND1-CD2 3.99Å
368	I	95.5	Very high	93.1	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-42.8	176.4	-65.4	162.4	0	0	0	111	M364 D370 Q371 I381 A382 L408 E431 I432	M364-I368 HydrophobicContact CE-CD1 4.47Å; M364-I368 HydrophobicContact CG-CD1 3.87Å; M364-I368 VanDerWaalsContact O-CG1 3.3Å; M364-I368 WeakPolarHBondContact O-CG1 3.21Å; M364-I368 PolarHBondContact O-N 2.75Å; I368-D370 VanDerWaalsContact C-N 3.27Å; I368-D370 PolarHBondContact O-N 3.28Å; I368-Q371 PolarHBondContact O-N 2.89Å; I368-Q371 VanDerWaalsContact O-N 3.1Å; I368-I381 HydrophobicContact CB-CG2 4.47Å; I368-I381 HydrophobicContact CG1-CB 4.22Å; I368-I381 HydrophobicContact CG1-CG2 3.82Å; I368-I381 HydrophobicContact CG2-CD1 4.1Å; I368-A382 HydrophobicContact CD1-CB 3.95Å; I368-A382 HydrophobicContact CG1-CB 4.34Å; I368-L408 HydrophobicContact CB-CD1 4.24Å; I368-L408 HydrophobicContact CD1-CD1 4.42Å; I368-L408 HydrophobicContact CG2-CD1 3.87Å; I368-L408 HydrophobicContact CG2-CD2 3.67Å; I368-L408 HydrophobicContact CG2-CG 4.42Å; I368-E431 HydrophobicContact CG2-CB 4Å; I368-E431 HydrophobicContact CG2-CG 4.16Å; I368-I432 HydrophobicContact CD1-CD1 3.8Å; I368-I432 HydrophobicContact CD1-CG1 3.44Å; I368-I432 VanDerWaalsContact CD1-CG1 3.44Å
369	L	93.8	Very high	93	Very high	86 Å²	86	44 Å²	44	45%	0.45	23%	0.227	S	C	.	.	H	α-helix	trans	-73.6	-10.8	-175.9	-70.8	171	0	0	0	115	F365 R366 L406 L408	F365-L369 WeakPolarHBondContact O-CB 3.48Å; F365-L369 WeakPolarHBondContact O-CD1 3.45Å; F365-L369 WeakPolarHBondContact O-CG 3.24Å; F365-L369 PolarHBondContact O-N 3.33Å; F365-L369 VanDerWaalsContact O-N 3.16Å; R366-L369 PolarHBondContact O-N 2.93Å; L369-L406 HydrophobicContact CD1-CD1 4.27Å; L369-L406 HydrophobicContact CD1-CD2 4.17Å; L369-L408 HydrophobicContact CD2-CD1 4.44Å; L369-L408 HydrophobicContact CD2-CD2 4.18Å; L369-L408 HydrophobicContact CD2-CG 4.44Å; L369-L408 HydrophobicContact CG-CD1 4.38Å
370	D	93.1	Very high	93	Very high	71 Å²	71	44 Å²	44	38%	0.38	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.3	170.7	-157.7	87.1	0	0	0	112	R266 F269 R366 I368	R266-D370 WeakPolarHBondContact CB-OD2 3.41Å; R266-D370 WeakPolarHBondContact CD-OD2 3.3Å; F269-D370 HydrophobicContact CD1-CB 4.02Å; F269-D370 HydrophobicContact CE1-CB 3.53Å; F269-D370 WeakPolarHBondContact CE1-OD2 3.34Å; F269-D370 HydrophobicContact CZ-CB 4.42Å; R366-D370 PolarHBondContact O-N 3.05Å; I368-D370 VanDerWaalsContact C-N 3.27Å; I368-D370 PolarHBondContact O-N 3.28Å
371	Q	94.1	Very high	93	Very high	30 Å²	30	44 Å²	44	14%	0.14	23%	0.228	C	C	.	.	S	Bend	trans	-94.3	159.1	179.4	-73.2	-173.1	47.2	0	0	113.1	H367 I368 I381 T458	H367-Q371 PolarHBondContact CD2-NE2 3.34Å; H367-Q371 PolarHBondContact NE2-NE2 2.67Å; I368-Q371 PolarHBondContact O-N 2.89Å; I368-Q371 VanDerWaalsContact O-N 3.1Å; Q371-I381 HydrophobicContact CB-CD1 4.49Å; Q371-T458 PolarHBondContact NE2-OG1 2.93Å
372	P	92.9	Very high	93.1	Very high	45 Å²	45	44 Å²	44	29%	0.292	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-54.2	151.4	166.8	-23.4	33.7	0	0	0	111.7	R456	P372-R456 PolarHBondContact O-NH2 2.92Å
373	P	92.5	Very high	93.2	Very high	101 Å²	101	44 Å²	44	66%	0.656	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-57.5	169.4	169.2	28.7	-36.3	0	0	0	111.2	R456	P373-R456 PolarHBondContact O-NH1 3Å
374	L	92.2	Very high	93.3	Very high	39 Å²	39	44 Å²	44	20%	0.204	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-71.3	130.2	172.5	-57.8	178.4	0	0	0	109.8	D378 I381 T430 E431	L374-D378 HydrophobicContact CB-CB 4.16Å; L374-D378 HydrophobicContact CD2-CB 4.1Å; L374-I381 HydrophobicContact CD2-CD1 3.86Å; L374-I381 HydrophobicContact CD2-CG1 3.95Å; L374-T430 VanDerWaalsContact CD1-C 3.46Å; L374-E431 HydrophobicContact CD1-CG 3.95Å; L374-E431 HydrophobicContact CD2-CG 4.46Å; L374-E431 HydrophobicContact CG-CG 4.07Å
375	D	89.5	Confident	93.3	Very high	95 Å²	95	44 Å²	44	51%	0.508	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-83.6	171.1	167.4	-63.3	-52.9	0	0	0	109.2	R263 D378	R263-D375 IonicContact NH1-OD2 3.88Å; D375-D378 PolarHBondContact N-OD2 2.91Å; D375-D378 WeakPolarHBondContact O-CB 2.99Å; D375-D378 PolarHBondContact O-N 3.13Å
376	E	84.1	Confident	93.2	Very high	193 Å²	193	44 Å²	44	90%	0.902	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	143.1	175.3	-67.1	-172.8	175.3	0	0	111.3	D378	E376-D378 PolarHBondContact O-N 3.35Å
377	M	83.2	Confident	93	Very high	149 Å²	149	41 Å²	41	73%	0.734	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	7.6	-173.6	-55.5	-66	-69	0	0	116.2	N453	M377-N453 PolarHBondContact O-ND2 2.89Å
378	D	88.9	Confident	92.6	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.219	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-66.6	143.4	174.9	-98.6	-27	0	0	0	113.6	L374 D375 E376 R456	L374-D378 HydrophobicContact CB-CB 4.16Å; L374-D378 HydrophobicContact CD2-CB 4.1Å; D375-D378 PolarHBondContact N-OD2 2.91Å; D375-D378 WeakPolarHBondContact O-CB 2.99Å; D375-D378 PolarHBondContact O-N 3.13Å; E376-D378 PolarHBondContact O-N 3.35Å; D378-R456 WeakPolarHBondContact OD1-CD 3.47Å; D378-R456 WeakPolarHBondContact OD1-CG 3.32Å; D378-R456 WeakPolarHBondContact OD2-CD 3.18Å; D378-R456 IonicContact OD2-CZ 3.77Å; D378-R456 IonicContact OD2-NE 2.85Å; D378-R456 IonicContact OD2-NH1 3.98Å; D378-R456 PolarHBondContact OD2-NH1 3.29Å
379	G	91.5	Very high	92.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-82.2	171.9	165.2	0	0	0	0	0	112.5	N453	G379-N453 WeakPolarHBondContact CA-O 3.23Å; G379-N453 PolarHBondContact N-ND2 2.9Å
380	P	96	Very high	91.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62.5	156.8	178	29.2	-39.1	0	0	0	113.8	T430 I433 N453 R456 I457	P380-T430 WeakPolarHBondContact CA-O 3.35Å; P380-T430 VanDerWaalsContact CB-O 3.3Å; P380-T430 WeakPolarHBondContact CB-O 3.47Å; P380-I433 HydrophobicContact CB-CD1 4.4Å; P380-I433 HydrophobicContact CB-CG1 4.1Å; P380-I433 HydrophobicContact CG-CD1 3.7Å; P380-I433 HydrophobicContact CG-CG1 3.92Å; P380-N453 WeakPolarHBondContact CD-O 3.27Å; P380-R456 CarbonylContact O-C 3.53Å; P380-R456 WeakPolarHBondContact O-CB 3.25Å; P380-I457 HydrophobicContact CG-CD1 3.97Å; P380-I457 HydrophobicContact CG-CG1 3.89Å; P380-I457 WeakPolarHBondContact O-CA 3.32Å; P380-I457 WeakPolarHBondContact O-CG1 3.47Å; P380-I457 PolarHBondContact O-N 2.8Å
381	I	97.4	Very high	91.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.2	C	C	.	.	S	Bend	trans	-88.6	-33.4	176.2	-64.7	164.4	0	0	0	110.3	I368 Q371 L374 E431 I457 T458 Y459	I368-I381 HydrophobicContact CB-CG2 4.47Å; I368-I381 HydrophobicContact CG1-CB 4.22Å; I368-I381 HydrophobicContact CG1-CG2 3.82Å; I368-I381 HydrophobicContact CG2-CD1 4.1Å; Q371-I381 HydrophobicContact CB-CD1 4.49Å; L374-I381 HydrophobicContact CD2-CD1 3.86Å; L374-I381 HydrophobicContact CD2-CG1 3.95Å; I381-E431 HydrophobicContact CD1-CB 4.48Å; I381-E431 HydrophobicContact CD1-CG 4.31Å; I381-E431 PolarHBondContact N-O 3.19Å; I381-I457 WeakPolarHBondContact O-CA 3.32Å; I381-T458 PolarHBondContact O-N 2.94Å; I381-T458 PolarHBondContact O-OG1 2.9Å; I381-Y459 PolarHBondContact O-N 3.24Å
382	A	97.9	Very high	91.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.2	179	0	0	0	0	0	113.2	M364 I368 E431 I432 I433 Y459	M364-A382 HydrophobicContact CG-CB 3.6Å; M364-A382 HydrophobicContact SD-CB 3.59Å; M364-A382 VanDerWaalsContact SD-CB 3.59Å; I368-A382 HydrophobicContact CD1-CB 3.95Å; I368-A382 HydrophobicContact CG1-CB 4.34Å; A382-E431 PolarHBondContact N-O 2.83Å; A382-I432 WeakPolarHBondContact O-CA 3.32Å; A382-I433 PolarHBondContact O-N 3Å; A382-Y459 VanDerWaalsContact CA-O 3.28Å; A382-Y459 WeakPolarHBondContact CA-O 3.35Å; A382-Y459 HydrophobicContact CB-CD1 4.19Å
383	M	98.1	Very high	91.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.9	175.5	172	176	-76.1	0	0	110.9	M385 I433 M440 L454 I457 Y459 L460 V461 I480	M383-M385 HydrophobicContact CG-CG 4.27Å; M383-M385 HydrophobicContact SD-CE 4.29Å; M383-M385 HydrophobicContact SD-CG 4.1Å; M383-I433 CarbonylContact C-O 3.57Å; M383-I433 WeakPolarHBondContact CA-O 3.36Å; M383-I433 HydrophobicContact CE-CG2 4.42Å; M383-M440 HydrophobicContact CE-CE 3.99Å; M383-M440 HydrophobicContact CE-CG 3.68Å; M383-M440 HydrophobicContact CE-SD 3.47Å; M383-M440 WeakPolarHBondContact CE-SD 3.37Å; M383-M440 HydrophobicContact SD-CG 4.46Å; M383-L454 HydrophobicContact CE-CD2 3.75Å; M383-I457 HydrophobicContact CB-CD1 3.85Å; M383-I457 HydrophobicContact CB-CG2 4.34Å; M383-I457 HydrophobicContact CE-CD1 3.71Å; M383-I457 HydrophobicContact SD-CD1 4.15Å; M383-Y459 PolarHBondContact N-O 2.97Å; M383-L460 HydrophobicContact CB-CD1 4.07Å; M383-L460 HydrophobicContact CG-CD1 3.99Å; M383-L460 HydrophobicContact SD-CD1 4.18Å; M383-V461 PolarHBondContact O-N 2.68Å; M383-I480 HydrophobicContact SD-CG2 3.95Å
384	V	98.1	Very high	91.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108.7	170.2	-173.7	0	0	0	0	108.9	F360 M364 I395 I433 V434 C435 V461	F360-V384 HydrophobicContact CD2-CG2 4.41Å; F360-V384 HydrophobicContact CE2-CG1 3.93Å; F360-V384 HydrophobicContact CE2-CG2 4.06Å; F360-V384 HydrophobicContact CZ-CG1 4.14Å; M364-V384 HydrophobicContact SD-CG2 4.37Å; V384-I395 HydrophobicContact CG1-CD1 4.28Å; V384-I395 HydrophobicContact CG1-CG2 4.18Å; V384-I433 PolarHBondContact N-O 2.9Å; V384-V434 HydrophobicContact CB-CG1 4.35Å; V384-V434 HydrophobicContact CB-CG2 4.34Å; V384-V434 CarbonylContact O-C 3.56Å; V384-V434 WeakPolarHBondContact O-CA 3.45Å; V384-C435 PolarHBondContact O-N 3.12Å; V384-V461 WeakPolarHBondContact CA-O 3.33Å; V384-V461 HydrophobicContact CB-CB 4.29Å; V384-V461 HydrophobicContact CG1-CB 4.04Å; V384-V461 HydrophobicContact CG1-CG1 4.09Å; V384-V461 HydrophobicContact CG2-CB 4.05Å; V384-V461 HydrophobicContact CG2-CG2 4.2Å
385	M	96.6	Very high	91.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	142.7	170.9	-78.8	-168.4	-88.2	0	0	111	M383 C435 P437 L460 V461 L462 D463 M468 V477 I480 I481	M383-M385 HydrophobicContact CG-CG 4.27Å; M383-M385 HydrophobicContact SD-CE 4.29Å; M383-M385 HydrophobicContact SD-CG 4.1Å; M385-C435 WeakPolarHBondContact CA-O 3.29Å; M385-P437 HydrophobicContact SD-CG 4.26Å; M385-L460 HydrophobicContact CE-CD1 3.83Å; M385-L460 HydrophobicContact CE-CD2 4.47Å; M385-V461 PolarHBondContact N-O 3.49Å; M385-L462 HydrophobicContact CB-CD2 4.06Å; M385-L462 HydrophobicContact CE-CD2 3.75Å; M385-D463 PolarHBondContact O-N 3.36Å; M385-M468 HydrophobicContact CB-SD 4.4Å; M385-V477 HydrophobicContact CE-CG1 4.25Å; M385-V477 HydrophobicContact SD-CG2 4.32Å; M385-I480 HydrophobicContact CE-CB 4.16Å; M385-I480 HydrophobicContact CE-CG2 3.75Å; M385-I480 HydrophobicContact SD-CB 4.22Å; M385-I480 HydrophobicContact SD-CD1 3.54Å; M385-I480 VanDerWaalsContact SD-CD1 3.54Å; M385-I480 HydrophobicContact SD-CG1 4.5Å; M385-I480 HydrophobicContact SD-CG2 4.02Å; M385-I481 HydrophobicContact CE-CG1 4.14Å
386	T	93.7	Very high	91.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.			trans	-153.3	148.3	-176.3	175.3	0	0	0	0	110.9	L391 A392 V434 C435 P437	T386-L391 WeakPolarHBondContact OG1-CD2 3.37Å; T386-L391 VanDerWaalsContact OG1-CG 3.27Å; T386-L391 WeakPolarHBondContact OG1-CG 3.36Å; T386-A392 HydrophobicContact CG2-CB 3.61Å; T386-V434 HydrophobicContact CG2-CG1 4.47Å; T386-C435 WeakPolarHBondContact CG2-O 3.32Å; T386-C435 PolarHBondContact N-O 2.81Å; T386-P437 WeakPolarHBondContact O-CD 3.22Å
387	P	88.5	Confident	92.1	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.026	13%	0.13	C	C	.	.	S	Bend	trans	-70.1	-33.4	-172.9	25.2	-36.1	0	0	0	115.3	D463 E464 R467 M468 M471 F473	P387-D463 VanDerWaalsContact CD-O 3.31Å; P387-D463 WeakPolarHBondContact CD-O 3.14Å; P387-E464 HydrophobicContact CG-CB 3.93Å; P387-R467 HydrophobicContact CB-CB 4.37Å; P387-R467 HydrophobicContact CG-CB 4.04Å; P387-M468 HydrophobicContact CB-CG 3.91Å; P387-M468 HydrophobicContact CG-CG 4.3Å; P387-M471 HydrophobicContact CB-SD 3.93Å; P387-F473 HydrophobicContact CB-CD2 4.39Å; P387-F473 HydrophobicContact CB-CE2 4.25Å; P387-F473 WeakPolarHBondContact O-CE2 3.24Å
388	T	86.2	Confident	92.6	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.043	10%	0.102	C	C	.	.			trans	-117.3	151.4	-172.6	72.1	0	0	0	0	113.5	E390 L391 A392 M471 R615	T388-E390 VanDerWaalsContact C-N 3.29Å; T388-E390 PolarHBondContact O-N 2.88Å; T388-L391 PolarHBondContact O-N 3.35Å; T388-L391 WeakPolarHBondContact OG1-CB 3.21Å; T388-L391 PolarHBondContact OG1-N 2.85Å; T388-A392 PolarHBondContact O-N 2.86Å; T388-M471 HydrophobicContact CG2-SD 4.46Å; T388-R615 HydrophobicContact CG2-CB 4.07Å; T388-R615 PolarHBondContact OG1-O 3.25Å; T388-R615 VanDerWaalsContact OG1-O 3.09Å
389	R	87.7	Confident	93	Very high	81 Å²	81	20.3 Å²	20.3	31%	0.306	9%	0.092	S	C	.	.	H	α-helix	trans	-64.6	-40.9	-177.4	-58.8	172.9	179.9	174.9	1.5	110.1	A392 M393 Y414 G415 T436	R389-A392 WeakPolarHBondContact O-CB 3.46Å; R389-A392 PolarHBondContact O-N 2.83Å; R389-M393 VanDerWaalsContact O-CG 3.3Å; R389-M393 WeakPolarHBondContact O-CG 3.44Å; R389-M393 PolarHBondContact O-N 3.16Å; R389-Y414 HydrophobicContact CB-CD2 3.76Å; R389-Y414 HydrophobicContact CB-CE2 4.49Å; R389-Y414 HydrophobicContact CB-CG 4.34Å; R389-Y414 HydrophobicContact CG-CD2 4.05Å; R389-G415 WeakPolarHBondContact CD-O 3.45Å; R389-G415 PolarHBondContact NE-O 3.04Å; R389-T436 HydrophobicContact CG-CG2 4.24Å
390	E	84.7	Confident	93.2	Very high	19 Å²	19	22.7 Å²	22.7	9%	0.089	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-42.1	180	-63.6	67.6	-155.2	0	0	111.4	T388 Q394 Q589 R592 I596	T388-E390 VanDerWaalsContact C-N 3.29Å; T388-E390 PolarHBondContact O-N 2.88Å; E390-Q394 WeakPolarHBondContact O-CB 3.46Å; E390-Q394 PolarHBondContact O-N 2.96Å; E390-Q589 PolarHBondContact OE1-NE2 3.33Å; E390-R592 VanDerWaalsContact CD-NH2 3.29Å; E390-R592 IonicContact OE1-CZ 2.75Å; E390-R592 IonicContact OE1-NE 2.69Å; E390-R592 PolarHBondContact OE1-NE 2.87Å; E390-R592 IonicContact OE1-NH2 3.32Å; E390-R592 PolarHBondContact OE1-NH2 2.99Å; E390-R592 IonicContact OE2-NH2 2.14Å; E390-R592 PolarHBondContact OE2-NH2 3.45Å; E390-I596 HydrophobicContact CG-CD1 3.53Å
391	L	87.7	Confident	93.1	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.068	12%	0.119	C	C	.	.	H	α-helix	trans	-72.3	-37.8	175.2	-175.5	53.1	0	0	0	111.8	T386 T388 M393 Q394 I395 E464	T386-L391 WeakPolarHBondContact OG1-CD2 3.37Å; T386-L391 VanDerWaalsContact OG1-CG 3.27Å; T386-L391 WeakPolarHBondContact OG1-CG 3.36Å; T388-L391 PolarHBondContact O-N 3.35Å; T388-L391 WeakPolarHBondContact OG1-CB 3.21Å; T388-L391 PolarHBondContact OG1-N 2.85Å; L391-M393 VanDerWaalsContact C-N 3.34Å; L391-M393 PolarHBondContact O-N 3.33Å; L391-Q394 HydrophobicContact CD1-CB 4.49Å; L391-Q394 PolarHBondContact O-N 2.83Å; L391-I395 HydrophobicContact CD1-CD1 3.94Å; L391-I395 HydrophobicContact CD1-CG1 3.98Å; L391-I395 HydrophobicContact CG-CD1 3.83Å; L391-I395 HydrophobicContact CG-CG1 4.35Å; L391-I395 WeakPolarHBondContact O-CG1 3.37Å; L391-I395 PolarHBondContact O-N 2.97Å; L391-E464 HydrophobicContact CD2-CB 4.25Å; L391-E464 HydrophobicContact CD2-CG 3.69Å; L391-E464 WeakPolarHBondContact CD2-OE2 3.49Å
392	A	92.8	Very high	93	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.1	-46.3	172	0	0	0	0	0	111.5	T386 T388 R389 Q394 I395 A396 C412 V434 T436	T386-A392 HydrophobicContact CG2-CB 3.61Å; T388-A392 PolarHBondContact O-N 2.86Å; R389-A392 WeakPolarHBondContact O-CB 3.46Å; R389-A392 PolarHBondContact O-N 2.83Å; A392-Q394 VanDerWaalsContact C-N 3.33Å; A392-Q394 PolarHBondContact O-N 3.1Å; A392-I395 PolarHBondContact O-N 2.95Å; A392-A396 WeakPolarHBondContact O-CB 3.36Å; A392-A396 PolarHBondContact O-N 3.34Å; A392-C412 VanDerWaalsContact C-SG 3.57Å; A392-V434 HydrophobicContact CB-CG1 4.12Å; A392-V434 WeakPolarHBondContact O-CG1 3.37Å; A392-T436 HydrophobicContact CB-CG2 4.43Å
393	M	91.5	Very high	92.8	Very high	61 Å²	61	27.2 Å²	27.2	30%	0.3	12%	0.119	S	C	.	.	H	α-helix	trans	-63.1	-37.7	175.9	-68.6	166.1	77	0	0	112.1	R389 L391 K397 Y414	R389-M393 VanDerWaalsContact O-CG 3.3Å; R389-M393 WeakPolarHBondContact O-CG 3.44Å; R389-M393 PolarHBondContact O-N 3.16Å; L391-M393 VanDerWaalsContact C-N 3.34Å; L391-M393 PolarHBondContact O-N 3.33Å; M393-K397 WeakPolarHBondContact O-CB 3.42Å; M393-K397 PolarHBondContact O-N 3.42Å; M393-Y414 HydrophobicContact CG-CD1 4.43Å; M393-Y414 HydrophobicContact CG-CE1 3.87Å; M393-Y414 HydrophobicContact CG-CE2 4.26Å; M393-Y414 HydrophobicContact SD-CE1 4.33Å; M393-Y414 HydrophobicContact SD-CE2 3.72Å; M393-Y414 VanDerWaalsContact SD-CZ 3.6Å; M393-Y414 PolarHBondContact SD-OH 3.32Å
394	Q	89.8	Confident	92.6	Very high	58 Å²	58	35.9 Å²	35.9	27%	0.271	15%	0.152	S	C	.	.	H	α-helix	trans	-66.1	-50.4	175.7	173.4	145	-19.7	0	0	112.5	E390 L391 A392 A396 K397 E398 D618	E390-Q394 WeakPolarHBondContact O-CB 3.46Å; E390-Q394 PolarHBondContact O-N 2.96Å; L391-Q394 HydrophobicContact CD1-CB 4.49Å; L391-Q394 PolarHBondContact O-N 2.83Å; A392-Q394 VanDerWaalsContact C-N 3.33Å; A392-Q394 PolarHBondContact O-N 3.1Å; Q394-A396 VanDerWaalsContact C-N 3.34Å; Q394-A396 PolarHBondContact O-N 2.87Å; Q394-K397 PolarHBondContact O-N 3.27Å; Q394-E398 PolarHBondContact O-N 2.69Å; Q394-D618 PolarHBondContact NE2-OD2 2.77Å; Q394-D618 VanDerWaalsContact OE1-CB 3.22Å
395	I	94.6	Very high	92.4	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-41.9	178.2	-64.6	166.9	0	0	0	110.1	T357 F360 V384 L391 A392 K397 E398 C399 V434 D463	T357-I395 HydrophobicContact CG2-CG1 4.12Å; T357-I395 HydrophobicContact CG2-CG2 4.34Å; F360-I395 HydrophobicContact CE2-CG2 4.1Å; F360-I395 HydrophobicContact CZ-CD1 4.3Å; F360-I395 HydrophobicContact CZ-CG2 4.28Å; V384-I395 HydrophobicContact CG1-CD1 4.28Å; V384-I395 HydrophobicContact CG1-CG2 4.18Å; L391-I395 HydrophobicContact CD1-CD1 3.94Å; L391-I395 HydrophobicContact CD1-CG1 3.98Å; L391-I395 HydrophobicContact CG-CD1 3.83Å; L391-I395 HydrophobicContact CG-CG1 4.35Å; L391-I395 WeakPolarHBondContact O-CG1 3.37Å; L391-I395 PolarHBondContact O-N 2.97Å; A392-I395 PolarHBondContact O-N 2.95Å; I395-K397 PolarHBondContact O-N 2.94Å; I395-E398 PolarHBondContact O-N 2.87Å; I395-C399 WeakPolarHBondContact O-CB 3.26Å; I395-C399 PolarHBondContact O-N 3.13Å; I395-V434 HydrophobicContact CB-CG1 3.92Å; I395-V434 HydrophobicContact CG2-CG1 3.91Å; I395-V434 HydrophobicContact CG2-CG2 4.07Å; I395-D463 HydrophobicContact CD1-CB 4.34Å
396	A	95.7	Very high	92.2	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.033	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-39.1	175.8	0	0	0	0	0	112.3	A392 Q394 K400 C412 V434	A392-A396 WeakPolarHBondContact O-CB 3.36Å; A392-A396 PolarHBondContact O-N 3.34Å; Q394-A396 VanDerWaalsContact C-N 3.34Å; Q394-A396 PolarHBondContact O-N 2.87Å; A396-K400 VanDerWaalsContact O-CB 3.26Å; A396-K400 WeakPolarHBondContact O-CB 3.47Å; A396-K400 VanDerWaalsContact O-CG 3.23Å; A396-K400 WeakPolarHBondContact O-CG 3.26Å; A396-K400 PolarHBondContact O-N 2.97Å; A396-C412 HydrophobicContact CB-CB 3.83Å; A396-V434 HydrophobicContact CB-CB 4.14Å; A396-V434 HydrophobicContact CB-CG2 4.15Å
397	K	94.2	Very high	92.2	Very high	146 Å²	146	41 Å²	41	64%	0.635	20%	0.195	S	C	*	.	H	α-helix	trans	-65.3	-41	175.6	-178.5	176.1	-178.2	175.5	0	112.1	M393 Q394 I395	M393-K397 WeakPolarHBondContact O-CB 3.42Å; M393-K397 PolarHBondContact O-N 3.42Å; Q394-K397 PolarHBondContact O-N 3.27Å; I395-K397 PolarHBondContact O-N 2.94Å
398	E	93.5	Very high	92.5	Very high	32 Å²	32	41.6 Å²	41.6	15%	0.15	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-45.9	175.9	-161.2	58.6	-138.5	0	0	111	L361 Q394 I395 K400 R401	L361-E398 HydrophobicContact CD1-CB 4.4Å; L361-E398 HydrophobicContact CD1-CG 4.44Å; Q394-E398 PolarHBondContact O-N 2.69Å; I395-E398 PolarHBondContact O-N 2.87Å; E398-K400 VanDerWaalsContact C-N 3.34Å; E398-K400 PolarHBondContact O-N 3.43Å; E398-R401 VanDerWaalsContact O-CB 3.29Å; E398-R401 WeakPolarHBondContact O-CB 3.41Å; E398-R401 PolarHBondContact O-N 2.76Å; E398-R401 WeakPolarHBondContact OE1-CD 3.49Å; E398-R401 IonicContact OE1-CZ 1.93Å; E398-R401 IonicContact OE1-NE 3.75Å; E398-R401 IonicContact OE1-NH1 2.72Å; E398-R401 PolarHBondContact OE1-NH1 2.82Å; E398-R401 IonicContact OE2-CZ 2.98Å; E398-R401 VanDerWaalsContact OE2-CZ 3.29Å; E398-R401 IonicContact OE2-NE 2.73Å; E398-R401 IonicContact OE2-NH1 3.76Å; E398-R401 PolarHBondContact OE2-NH1 2.71Å
399	C	96.8	Very high	93	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.8	-46.4	175	-173.1	0	0	0	0	111.8	L361 I395 R401 F402 S403 T410	L361-C399 HydrophobicContact CD1-CB 4.12Å; L361-C399 HydrophobicContact CD2-CB 3.98Å; I395-C399 WeakPolarHBondContact O-CB 3.26Å; I395-C399 PolarHBondContact O-N 3.13Å; C399-R401 PolarHBondContact O-N 3.12Å; C399-F402 PolarHBondContact O-N 2.71Å; C399-S403 PolarHBondContact O-N 3.08Å; C399-S403 PolarHBondContact O-OG 3.11Å; C399-S403 VanDerWaalsContact O-OG 3.13Å; C399-T410 HydrophobicContact CB-CG2 4.17Å
400	K	95.9	Very high	93.4	Very high	50 Å²	50	40.6 Å²	40.6	22%	0.217	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-13.3	176.9	-77.2	177.1	178.9	-173.8	0	114.5	A396 E398 S403 T410	A396-K400 VanDerWaalsContact O-CB 3.26Å; A396-K400 WeakPolarHBondContact O-CB 3.47Å; A396-K400 VanDerWaalsContact O-CG 3.23Å; A396-K400 WeakPolarHBondContact O-CG 3.26Å; A396-K400 PolarHBondContact O-N 2.97Å; E398-K400 VanDerWaalsContact C-N 3.34Å; E398-K400 PolarHBondContact O-N 3.43Å; K400-S403 WeakPolarHBondContact CA-OG 3.33Å; K400-T410 WeakPolarHBondContact CE-O 3.28Å; K400-T410 HydrophobicContact CG-CG2 4.35Å; K400-T410 PolarHBondContact NZ-O 3.43Å
401	R	93.7	Very high	93.9	Very high	97 Å²	97	40 Å²	40	37%	0.366	20%	0.198	S	C	.	.	H	α-helix	trans	-76.5	-28	169.6	-66.3	169.5	167.1	-178.2	-2.6	113.1	Y324 E398 C399 P405	Y324-R401 HydrophobicContact CE2-CB 4.08Å; Y324-R401 PolarHBondContact OH-O 3.07Å; E398-R401 VanDerWaalsContact O-CB 3.29Å; E398-R401 WeakPolarHBondContact O-CB 3.41Å; E398-R401 PolarHBondContact O-N 2.76Å; E398-R401 WeakPolarHBondContact OE1-CD 3.49Å; E398-R401 IonicContact OE1-CZ 1.93Å; E398-R401 IonicContact OE1-NE 3.75Å; E398-R401 IonicContact OE1-NH1 2.72Å; E398-R401 PolarHBondContact OE1-NH1 2.82Å; E398-R401 IonicContact OE2-CZ 2.98Å; E398-R401 VanDerWaalsContact OE2-CZ 3.29Å; E398-R401 IonicContact OE2-NE 2.73Å; E398-R401 IonicContact OE2-NH1 3.76Å; E398-R401 PolarHBondContact OE2-NH1 2.71Å; C399-R401 PolarHBondContact O-N 3.12Å; R401-P405 WeakPolarHBondContact O-CD 3.22Å; R401-P405 VanDerWaalsContact O-CG 3.25Å; R401-P405 WeakPolarHBondContact O-CG 3.36Å
402	F	95	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-106.6	-40.4	-177	-66.5	-90.4	0	0	0	112.3	L317 L320 L321 Y324 Y326 L358 F365 C399 P405 L406	L317-F402 HydrophobicContact CD1-CD1 3.66Å; L317-F402 HydrophobicContact CD1-CE1 4.2Å; L320-F402 HydrophobicContact CB-CD1 3.83Å; L320-F402 HydrophobicContact CB-CE1 3.95Å; L320-F402 HydrophobicContact CD1-CD1 4.31Å; L321-F402 HydrophobicContact CD2-CE1 4.09Å; L321-F402 HydrophobicContact CD2-CZ 4.28Å; L321-F402 HydrophobicContact CG-CE1 4.3Å; Y324-F402 AromaticContact CD2-CE1 3.92Å; Y324-F402 HydrophobicContact CD2-CE1 3.92Å; Y324-F402 HydrophobicContact CD2-CE2 4.3Å; Y324-F402 AromaticContact CD2-CZ 3.76Å; Y324-F402 HydrophobicContact CD2-CZ 3.76Å; Y324-F402 HydrophobicContact CE2-CE1 4.33Å; Y324-F402 HydrophobicContact CE2-CZ 4.35Å; Y326-F402 HydrophobicContact CD2-CZ 4.4Å; Y326-F402 HydrophobicContact CE2-CZ 4.01Å; L358-F402 HydrophobicContact CD2-CD2 4.45Å; L358-F402 HydrophobicContact CD2-CE2 3.73Å; L358-F402 HydrophobicContact CD2-CZ 4.03Å; F365-F402 HydrophobicContact CD2-CB 4.03Å; F365-F402 HydrophobicContact CE1-CB 4.31Å; F365-F402 HydrophobicContact CE2-CB 3.29Å; F365-F402 HydrophobicContact CE2-CD2 4.39Å; F365-F402 AromaticContact CE2-CG 3.89Å; F365-F402 HydrophobicContact CE2-CG 3.89Å; F365-F402 HydrophobicContact CZ-CB 3.47Å; F365-F402 VanDerWaalsContact CZ-CB 3.47Å; F365-F402 HydrophobicContact CZ-CG 4.39Å; C399-F402 PolarHBondContact O-N 2.71Å; F402-P405 WeakPolarHBondContact O-CD 3.44Å; F402-L406 WeakPolarHBondContact O-CB 3.33Å; F402-L406 WeakPolarHBondContact O-CD1 3.37Å; F402-L406 WeakPolarHBondContact O-CG 3.41Å; F402-L406 PolarHBondContact O-N 3.49Å
403	S	94.7	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-52.3	179.4	59.1	0	0	0	0	111.9	C399 K400 L406 G407 L408 T410	C399-S403 PolarHBondContact O-N 3.08Å; C399-S403 PolarHBondContact O-OG 3.11Å; C399-S403 VanDerWaalsContact O-OG 3.13Å; K400-S403 WeakPolarHBondContact CA-OG 3.33Å; S403-L406 CarbonylContact O-C 3.43Å; S403-L406 WeakPolarHBondContact O-CA 3.47Å; S403-L406 WeakPolarHBondContact O-CB 3.44Å; S403-L406 PolarHBondContact O-N 2.89Å; S403-G407 PolarHBondContact O-N 3.33Å; S403-L408 CarbonylContact C-O 3.58Å; S403-L408 WeakPolarHBondContact CB-O 3.25Å; S403-L408 PolarHBondContact O-N 3.26Å; S403-T410 VanDerWaalsContact CB-OG1 3.31Å; S403-T410 WeakPolarHBondContact CB-OG1 3.49Å; S403-T410 PolarHBondContact OG-OG1 3.36Å
404	R	93.2	Very high	94.5	Very high	182 Å²	182	38.5 Å²	38.5	69%	0.687	19%	0.191	S	C	*	.	H	α-helix	trans	-53.9	-51.3	178.6	-73	176.1	170.2	-178.3	-4.5	112.7	L406 G407 L408	R404-L406 PolarHBondContact O-N 2.86Å; R404-G407 PolarHBondContact O-N 3.18Å; R404-G407 VanDerWaalsContact O-N 3.16Å; R404-L408 PolarHBondContact N-O 3.02Å
405	P	93.5	Very high	94.5	Very high	45 Å²	45	36.4 Å²	36.4	29%	0.292	19%	0.185	S	C	.	.	H	α-helix	trans	-71.6	-10.7	176.8	-22.9	37.5	0	0	0	115.6	R316 L320 R401 F402	R316-P405 PolarHBondContact NE-O 3.14Å; R316-P405 PolarHBondContact NH2-O 3.05Å; L320-P405 HydrophobicContact CD1-CB 3.97Å; L320-P405 HydrophobicContact CD2-CB 3.61Å; L320-P405 HydrophobicContact CD2-CG 3.93Å; L320-P405 HydrophobicContact CG-CB 4.41Å; R401-P405 WeakPolarHBondContact O-CD 3.22Å; R401-P405 VanDerWaalsContact O-CG 3.25Å; R401-P405 WeakPolarHBondContact O-CG 3.36Å; F402-P405 WeakPolarHBondContact O-CD 3.44Å
406	L	93.4	Very high	94	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-86.8	-20.5	169.5	-69.8	171.4	0	0	0	112.8	R316 L320 F365 L369 F402 S403 R404 L408	R316-L406 HydrophobicContact CB-CD2 4.1Å; R316-L406 HydrophobicContact CG-CD2 3.89Å; R316-L406 VanDerWaalsContact CZ-O 3.28Å; R316-L406 PolarHBondContact NH1-O 2.72Å; R316-L406 PolarHBondContact NH2-O 2.79Å; L320-L406 HydrophobicContact CD1-CD2 4.23Å; L320-L406 HydrophobicContact CD1-CG 4.12Å; F365-L406 HydrophobicContact CB-CD1 3.74Å; F365-L406 HydrophobicContact CD1-CD1 4.04Å; F365-L406 HydrophobicContact CD2-CD1 4.3Å; F365-L406 HydrophobicContact CG-CD1 3.77Å; L369-L406 HydrophobicContact CD1-CD1 4.27Å; L369-L406 HydrophobicContact CD1-CD2 4.17Å; F402-L406 WeakPolarHBondContact O-CB 3.33Å; F402-L406 WeakPolarHBondContact O-CD1 3.37Å; F402-L406 WeakPolarHBondContact O-CG 3.41Å; F402-L406 PolarHBondContact O-N 3.49Å; S403-L406 CarbonylContact O-C 3.43Å; S403-L406 WeakPolarHBondContact O-CA 3.47Å; S403-L406 WeakPolarHBondContact O-CB 3.44Å; S403-L406 PolarHBondContact O-N 2.89Å; R404-L406 PolarHBondContact O-N 2.86Å; L406-L408 HydrophobicContact CB-CD1 4.48Å; L406-L408 HydrophobicContact CB-CG 4.34Å
407	G	93.1	Very high	93.5	Very high	56 Å²	56	40.4 Å²	40.4	58%	0.577	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.7	13.1	-172.9	0	0	0	0	0	114	S403 R404	S403-G407 PolarHBondContact O-N 3.33Å; R404-G407 PolarHBondContact O-N 3.18Å; R404-G407 VanDerWaalsContact O-N 3.16Å
408	L	95.3	Very high	93	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.079	21%	0.208	C	C	.	.			trans	-98.3	146.6	177.4	-57.2	176	0	0	0	110.4	F365 I368 L369 S403 R404 L406 E431	F365-L408 HydrophobicContact CD1-CD1 4.09Å; I368-L408 HydrophobicContact CB-CD1 4.24Å; I368-L408 HydrophobicContact CD1-CD1 4.42Å; I368-L408 HydrophobicContact CG2-CD1 3.87Å; I368-L408 HydrophobicContact CG2-CD2 3.67Å; I368-L408 HydrophobicContact CG2-CG 4.42Å; L369-L408 HydrophobicContact CD2-CD1 4.44Å; L369-L408 HydrophobicContact CD2-CD2 4.18Å; L369-L408 HydrophobicContact CD2-CG 4.44Å; L369-L408 HydrophobicContact CG-CD1 4.38Å; S403-L408 CarbonylContact C-O 3.58Å; S403-L408 WeakPolarHBondContact CB-O 3.25Å; S403-L408 PolarHBondContact O-N 3.26Å; R404-L408 PolarHBondContact N-O 3.02Å; L406-L408 HydrophobicContact CB-CD1 4.48Å; L406-L408 HydrophobicContact CB-CG 4.34Å; L408-E431 HydrophobicContact CD2-CG 4.07Å
409	T	95.2	Very high	92.8	Very high	62 Å²	62	37.6 Å²	37.6	38%	0.38	22%	0.22	S	C	.	.			trans	-91.5	170.3	174	71.2	0	0	0	0	111.3	T430 E431	T409-T430 WeakPolarHBondContact OG1-CA 3.48Å; T409-T430 WeakPolarHBondContact OG1-CB 3.42Å; T409-T430 PolarHBondContact OG1-OG1 2.8Å; T409-E431 WeakPolarHBondContact CA-OE2 3.36Å; T409-E431 WeakPolarHBondContact CB-OE2 3.34Å; T409-E431 PolarHBondContact N-OE2 3.43Å; T409-E431 PolarHBondContact OG1-N 2.73Å; T409-E431 PolarHBondContact OG1-OE2 3.41Å
410	T	96.7	Very high	92.5	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.037	25%	0.25	C	C	.	.			trans	-158.8	128.6	179.2	-50.7	0	0	0	0	109.6	C399 K400 S403 I432 V434	C399-T410 HydrophobicContact CB-CG2 4.17Å; K400-T410 WeakPolarHBondContact CE-O 3.28Å; K400-T410 HydrophobicContact CG-CG2 4.35Å; K400-T410 PolarHBondContact NZ-O 3.43Å; S403-T410 VanDerWaalsContact CB-OG1 3.31Å; S403-T410 WeakPolarHBondContact CB-OG1 3.49Å; S403-T410 PolarHBondContact OG-OG1 3.36Å; T410-I432 CarbonylContact C-O 3.44Å; T410-I432 WeakPolarHBondContact CA-O 3.39Å; T410-I432 HydrophobicContact CG2-CB 4.11Å; T410-I432 HydrophobicContact CG2-CG2 3.92Å; T410-V434 HydrophobicContact CG2-CG2 4.36Å
411	V	95.5	Very high	92.2	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.4	179.4	179	0	0	0	0	110.4	V413 E425 L426 T430 I432 V434	V411-V413 HydrophobicContact CG1-CG2 3.85Å; V411-E425 HydrophobicContact CB-CB 4.46Å; V411-E425 HydrophobicContact CG1-CB 3.92Å; V411-E425 HydrophobicContact CG2-CB 3.64Å; V411-L426 HydrophobicContact CB-CD2 4.31Å; V411-L426 HydrophobicContact CG1-CD2 4.02Å; V411-L426 HydrophobicContact CG1-CG 4.22Å; V411-T430 HydrophobicContact CB-CG2 4.07Å; V411-T430 HydrophobicContact CG2-CG2 3.67Å; V411-I432 PolarHBondContact N-O 2.8Å; V411-V434 PolarHBondContact O-N 2.89Å
412	C	96	Very high	92.1	Very high	15 Å²	15	42 Å²	42	10%	0.101	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.5	177.7	-163.3	0	0	0	0	109.8	A392 A396 Y414 V434	A392-C412 VanDerWaalsContact C-SG 3.57Å; A396-C412 HydrophobicContact CB-CB 3.83Å; C412-Y414 HydrophobicContact CB-CD1 4.26Å; C412-Y414 HydrophobicContact CB-CE1 4.24Å; C412-V434 CarbonylContact C-O 3.59Å; C412-V434 WeakPolarHBondContact CA-O 3.47Å
413	V	95.7	Very high	92	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	98.5	-169.7	175.7	0	0	0	0	109.7	V411 L426 I433 V434 C435 T436 R439 M440 M443	V411-V413 HydrophobicContact CG1-CG2 3.85Å; V413-L426 HydrophobicContact CG2-CD1 4.24Å; V413-L426 HydrophobicContact CG2-CD2 4.32Å; V413-I433 HydrophobicContact CB-CG2 4.27Å; V413-I433 HydrophobicContact CG2-CG2 3.95Å; V413-V434 PolarHBondContact N-O 3.15Å; V413-C435 HydrophobicContact CB-CB 3.8Å; V413-C435 HydrophobicContact CG1-CB 4.31Å; V413-C435 WeakPolarHBondContact O-CA 3.34Å; V413-C435 WeakPolarHBondContact O-CB 3.29Å; V413-T436 PolarHBondContact O-N 3.26Å; V413-R439 HydrophobicContact CG1-CB 4.21Å; V413-R439 HydrophobicContact CG1-CG 3.65Å; V413-M440 HydrophobicContact CG1-SD 4.19Å; V413-M443 HydrophobicContact CG1-CB 4.4Å; V413-M443 HydrophobicContact CG1-CG 3.46Å; V413-M443 VanDerWaalsContact CG1-CG 3.46Å
414	Y	93.9	Very high	91.8	Very high	29 Å²	29	45.3 Å²	45.3	11%	0.114	28%	0.278	C	S	.	.			trans	-145.1	154.5	-175.4	66.2	-80	0	0	0	113.2	R389 M393 C412 T417 Q422 T436	R389-Y414 HydrophobicContact CB-CD2 3.76Å; R389-Y414 HydrophobicContact CB-CE2 4.49Å; R389-Y414 HydrophobicContact CB-CG 4.34Å; R389-Y414 HydrophobicContact CG-CD2 4.05Å; M393-Y414 HydrophobicContact CG-CD1 4.43Å; M393-Y414 HydrophobicContact CG-CE1 3.87Å; M393-Y414 HydrophobicContact CG-CE2 4.26Å; M393-Y414 HydrophobicContact SD-CE1 4.33Å; M393-Y414 HydrophobicContact SD-CE2 3.72Å; M393-Y414 VanDerWaalsContact SD-CZ 3.6Å; M393-Y414 PolarHBondContact SD-OH 3.32Å; C412-Y414 HydrophobicContact CB-CD1 4.26Å; C412-Y414 HydrophobicContact CB-CE1 4.24Å; Y414-T417 HydrophobicContact CD2-CG2 4.42Å; Y414-T417 HydrophobicContact CE2-CG2 3.57Å; Y414-T417 PolarHBondContact O-OG1 3.36Å; Y414-Q422 PolarHBondContact O-NE2 3.08Å; Y414-Q422 PolarHBondContact O-OE1 2.92Å; Y414-T436 WeakPolarHBondContact CA-OG1 3.45Å
415	G	89.1	Confident	91.7	Very high	14 Å²	14	39.7 Å²	39.7	14%	0.144	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	172	-179.1	0	0	0	0	0	113.7	R389 T417	R389-G415 WeakPolarHBondContact CD-O 3.45Å; R389-G415 PolarHBondContact NE-O 3.04Å; G415-T417 PolarHBondContact O-N 3.11Å
416	G	84.1	Confident	91.6	Very high	43 Å²	43	38 Å²	38	44%	0.443	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-4.5	178.6	0	0	0	0	0	115.6
417	T	84.7	Confident	91.4	Very high	44 Å²	44	43.8 Å²	43.8	27%	0.27	27%	0.273	S	S	.	.	S	Bend	trans	-117.8	169.3	177.4	49.7	0	0	0	0	112.1	Y414 G415 I419 Q422 R439	Y414-T417 HydrophobicContact CD2-CG2 4.42Å; Y414-T417 HydrophobicContact CE2-CG2 3.57Å; Y414-T417 PolarHBondContact O-OG1 3.36Å; G415-T417 PolarHBondContact O-N 3.11Å; T417-I419 PolarHBondContact O-N 2.73Å; T417-Q422 PolarHBondContact OG1-NE2 2.99Å; T417-R439 PolarHBondContact O-NH2 2.8Å
418	G	83.8	Confident	91.2	Very high	44 Å²	44	50.7 Å²	50.7	45%	0.454	28%	0.282	S	S	.	.			trans	-59.1	127	179.9	0	0	0	0	0	112.4
419	I	89.8	Confident	90.9	Very high	76 Å²	76	51 Å²	51	39%	0.39	29%	0.289	S	S	.	.	H	α-helix	trans	-71.2	-32.3	-177	-161.7	172.2	0	0	0	112.7	T417 E421 Q422 I423 M443	T417-I419 PolarHBondContact O-N 2.73Å; I419-E421 PolarHBondContact O-N 2.91Å; I419-Q422 PolarHBondContact O-N 2.85Å; I419-I423 HydrophobicContact CD1-CD1 4.4Å; I419-I423 HydrophobicContact CG1-CD1 3.91Å; I419-I423 HydrophobicContact CG1-CG1 4.41Å; I419-I423 VanDerWaalsContact O-CG1 3.32Å; I419-I423 WeakPolarHBondContact O-CG1 3.11Å; I419-I423 PolarHBondContact O-N 2.85Å; I419-M443 HydrophobicContact CD1-CE 3.66Å; I419-M443 HydrophobicContact CG1-CE 3.36Å
420	S	89.2	Confident	90.9	Very high	89 Å²	89	48.3 Å²	48.3	62%	0.622	27%	0.272	S	S	*	.	H	α-helix	trans	-64.8	-37	-177.1	47.1	0	0	0	0	113.7	A424	S420-A424 VanDerWaalsContact O-CB 3.26Å; S420-A424 WeakPolarHBondContact O-CB 3.48Å; S420-A424 PolarHBondContact O-N 2.56Å
421	E	90.6	Very high	90.9	Very high	139 Å²	139	49.4 Å²	49.4	65%	0.65	28%	0.277	S	S	*	.	H	α-helix	trans	-67	-45.4	177.7	-174.8	172.6	-160.1	0	0	111.3	I419 A424 E425	I419-E421 PolarHBondContact O-N 2.91Å; E421-A424 PolarHBondContact O-N 2.93Å; E421-A424 VanDerWaalsContact O-N 3.17Å; E421-E425 PolarHBondContact O-N 3.29Å
422	Q	92.3	Very high	91	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-43	175.8	-67.3	175.1	5.5	0	0	111.3	Y414 T417 I419 A424 E425 L426 M443	Y414-Q422 PolarHBondContact O-NE2 3.08Å; Y414-Q422 PolarHBondContact O-OE1 2.92Å; T417-Q422 PolarHBondContact OG1-NE2 2.99Å; I419-Q422 PolarHBondContact O-N 2.85Å; Q422-A424 VanDerWaalsContact C-N 3.3Å; Q422-A424 PolarHBondContact O-N 2.75Å; Q422-E425 PolarHBondContact O-N 2.76Å; Q422-L426 WeakPolarHBondContact O-CB 3.28Å; Q422-L426 VanDerWaalsContact O-CG 3.24Å; Q422-L426 WeakPolarHBondContact O-CG 3.42Å; Q422-L426 PolarHBondContact O-N 3.39Å; Q422-M443 HydrophobicContact CB-SD 4.21Å
423	I	91.4	Very high	91.1	Very high	29 Å²	29	48.4 Å²	48.4	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-40.2	173.3	-70.3	170.1	0	0	0	111.3	I419 L426 K427 M443 V451	I419-I423 HydrophobicContact CD1-CD1 4.4Å; I419-I423 HydrophobicContact CG1-CD1 3.91Å; I419-I423 HydrophobicContact CG1-CG1 4.41Å; I419-I423 VanDerWaalsContact O-CG1 3.32Å; I419-I423 WeakPolarHBondContact O-CG1 3.11Å; I419-I423 PolarHBondContact O-N 2.85Å; I423-L426 PolarHBondContact O-N 3.01Å; I423-K427 HydrophobicContact CG2-CD 4.11Å; I423-K427 HydrophobicContact CG2-CG 4.35Å; I423-K427 WeakPolarHBondContact O-CB 3.15Å; I423-K427 WeakPolarHBondContact O-CG 3.07Å; I423-K427 PolarHBondContact O-N 2.94Å; I423-M443 HydrophobicContact CD1-CE 4.4Å; I423-M443 HydrophobicContact CG1-CE 4.05Å; I423-M443 HydrophobicContact CG1-SD 3.85Å; I423-V451 HydrophobicContact CB-CG1 4.31Å; I423-V451 HydrophobicContact CD1-CG2 4.43Å; I423-V451 HydrophobicContact CG1-CG1 3.99Å; I423-V451 HydrophobicContact CG1-CG2 4.14Å; I423-V451 HydrophobicContact CG2-CG1 4.2Å; I423-V451 HydrophobicContact CG2-CG2 4.04Å
424	A	90.5	Very high	91.2	Very high	41 Å²	41	48.4 Å²	48.4	34%	0.339	27%	0.271	S	S	.	.	H	α-helix	trans	-75.1	-28.8	-179.8	0	0	0	0	0	113.8	S420 E421 Q422 R428	S420-A424 VanDerWaalsContact O-CB 3.26Å; S420-A424 WeakPolarHBondContact O-CB 3.48Å; S420-A424 PolarHBondContact O-N 2.56Å; E421-A424 PolarHBondContact O-N 2.93Å; E421-A424 VanDerWaalsContact O-N 3.17Å; Q422-A424 VanDerWaalsContact C-N 3.3Å; Q422-A424 PolarHBondContact O-N 2.75Å; A424-R428 WeakPolarHBondContact O-CD 3.33Å; A424-R428 WeakPolarHBondContact O-CG 2.91Å
425	E	91	Very high	91.3	Very high	65 Å²	65	47 Å²	47	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-70.3	-44.5	167	-70.7	-154.3	136	0	0	111	V411 E421 Q422 R428	V411-E425 HydrophobicContact CB-CB 4.46Å; V411-E425 HydrophobicContact CG1-CB 3.92Å; V411-E425 HydrophobicContact CG2-CB 3.64Å; E421-E425 PolarHBondContact O-N 3.29Å; Q422-E425 PolarHBondContact O-N 2.76Å; E425-R428 PolarHBondContact O-N 2.81Å
426	L	92.5	Very high	91.6	Very high	8 Å²	8	47 Å²	47	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-44.6	-179.4	-69.4	172.1	0	0	0	113.1	V411 V413 Q422 I423 R428 G429 T430 I433 M443 V451 T452	V411-L426 HydrophobicContact CB-CD2 4.31Å; V411-L426 HydrophobicContact CG1-CD2 4.02Å; V411-L426 HydrophobicContact CG1-CG 4.22Å; V413-L426 HydrophobicContact CG2-CD1 4.24Å; V413-L426 HydrophobicContact CG2-CD2 4.32Å; Q422-L426 WeakPolarHBondContact O-CB 3.28Å; Q422-L426 VanDerWaalsContact O-CG 3.24Å; Q422-L426 WeakPolarHBondContact O-CG 3.42Å; Q422-L426 PolarHBondContact O-N 3.39Å; I423-L426 PolarHBondContact O-N 3.01Å; L426-R428 PolarHBondContact O-N 3.28Å; L426-R428 VanDerWaalsContact O-N 3.12Å; L426-G429 PolarHBondContact O-N 3.15Å; L426-T430 HydrophobicContact CD2-CG2 3.91Å; L426-I433 HydrophobicContact CD2-CD1 3.46Å; L426-I433 VanDerWaalsContact CD2-CD1 3.46Å; L426-I433 HydrophobicContact CD2-CG1 3.99Å; L426-M443 HydrophobicContact CD1-CB 4Å; L426-M443 HydrophobicContact CD1-CG 3.73Å; L426-M443 HydrophobicContact CD1-SD 3.66Å; L426-V451 HydrophobicContact CB-CG1 4.01Å; L426-V451 HydrophobicContact CD1-CG1 3.83Å; L426-T452 HydrophobicContact CD1-CG2 4.07Å
427	K	89.5	Confident	92	Very high	129 Å²	129	45 Å²	45	56%	0.561	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-12.4	179.4	-79.5	-170.9	173	-171	0	114.7	I423 G429	I423-K427 HydrophobicContact CG2-CD 4.11Å; I423-K427 HydrophobicContact CG2-CG 4.35Å; I423-K427 WeakPolarHBondContact O-CB 3.15Å; I423-K427 WeakPolarHBondContact O-CG 3.07Å; I423-K427 PolarHBondContact O-N 2.94Å; K427-G429 VanDerWaalsContact C-N 3.27Å
428	R	89.2	Confident	92.4	Very high	201 Å²	201	44.1 Å²	44.1	76%	0.758	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.8	172.7	-70.9	169.4	178.6	139.8	-1.9	113.1	A424 E425 L426	A424-R428 WeakPolarHBondContact O-CD 3.33Å; A424-R428 WeakPolarHBondContact O-CG 2.91Å; E425-R428 PolarHBondContact O-N 2.81Å; L426-R428 PolarHBondContact O-N 3.28Å; L426-R428 VanDerWaalsContact O-N 3.12Å
429	G	88.7	Confident	92.8	Very high	23 Å²	23	43.2 Å²	43.2	24%	0.237	22%	0.224	C	C	.	.			trans	81	139.8	-166.9	0	0	0	0	0	111.1	L426 K427	L426-G429 PolarHBondContact O-N 3.15Å; K427-G429 VanDerWaalsContact C-N 3.27Å
430	T	94.2	Very high	93.1	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.025	21%	0.205	C	C	.	.			trans	-150.1	135.1	168.2	-171.2	0	0	0	0	112.9	L374 P380 T409 V411 L426 I432 I433	L374-T430 VanDerWaalsContact CD1-C 3.46Å; P380-T430 WeakPolarHBondContact CA-O 3.35Å; P380-T430 VanDerWaalsContact CB-O 3.3Å; P380-T430 WeakPolarHBondContact CB-O 3.47Å; T409-T430 WeakPolarHBondContact OG1-CA 3.48Å; T409-T430 WeakPolarHBondContact OG1-CB 3.42Å; T409-T430 PolarHBondContact OG1-OG1 2.8Å; V411-T430 HydrophobicContact CB-CG2 4.07Å; V411-T430 HydrophobicContact CG2-CG2 3.67Å; L426-T430 HydrophobicContact CD2-CG2 3.91Å; T430-I432 VanDerWaalsContact C-N 3.33Å; T430-I432 PolarHBondContact OG1-O 3.33Å; T430-I433 HydrophobicContact CG2-CG1 3.91Å
431	E	96.9	Very high	93.3	Very high	29 Å²	29	36.1 Å²	36.1	14%	0.136	18%	0.18	C	C	.	.	S	Bend	trans	-75.6	-25.7	-179	-58.9	87.5	165	0	0	112.5	I368 L374 I381 A382 L408 T409	I368-E431 HydrophobicContact CG2-CB 4Å; I368-E431 HydrophobicContact CG2-CG 4.16Å; L374-E431 HydrophobicContact CD1-CG 3.95Å; L374-E431 HydrophobicContact CD2-CG 4.46Å; L374-E431 HydrophobicContact CG-CG 4.07Å; I381-E431 HydrophobicContact CD1-CB 4.48Å; I381-E431 HydrophobicContact CD1-CG 4.31Å; I381-E431 PolarHBondContact N-O 3.19Å; A382-E431 PolarHBondContact N-O 2.83Å; L408-E431 HydrophobicContact CD2-CG 4.07Å; T409-E431 WeakPolarHBondContact CA-OE2 3.36Å; T409-E431 WeakPolarHBondContact CB-OE2 3.34Å; T409-E431 PolarHBondContact N-OE2 3.43Å; T409-E431 PolarHBondContact OG1-N 2.73Å; T409-E431 PolarHBondContact OG1-OE2 3.41Å
432	I	98	Very high	93.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.3	-169.7	-54.2	163.4	0	0	0	110.1	M364 F365 I368 A382 T410 V411 T430	M364-I432 HydrophobicContact CE-CD1 3.65Å; M364-I432 HydrophobicContact CE-CG1 3.97Å; M364-I432 HydrophobicContact CE-CG2 3.81Å; M364-I432 HydrophobicContact SD-CG2 4.2Å; F365-I432 HydrophobicContact CD1-CD1 4.29Å; F365-I432 HydrophobicContact CE1-CD1 3.88Å; I368-I432 HydrophobicContact CD1-CD1 3.8Å; I368-I432 HydrophobicContact CD1-CG1 3.44Å; I368-I432 VanDerWaalsContact CD1-CG1 3.44Å; A382-I432 WeakPolarHBondContact O-CA 3.32Å; T410-I432 CarbonylContact C-O 3.44Å; T410-I432 WeakPolarHBondContact CA-O 3.39Å; T410-I432 HydrophobicContact CG2-CB 4.11Å; T410-I432 HydrophobicContact CG2-CG2 3.92Å; V411-I432 PolarHBondContact N-O 2.8Å; T430-I432 VanDerWaalsContact C-N 3.33Å; T430-I432 PolarHBondContact OG1-O 3.33Å
433	I	97.7	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.7	164.8	-66.1	-176.4	0	0	0	110.1	P380 A382 M383 V384 V413 L426 T430 C435 M440	P380-I433 HydrophobicContact CB-CD1 4.4Å; P380-I433 HydrophobicContact CB-CG1 4.1Å; P380-I433 HydrophobicContact CG-CD1 3.7Å; P380-I433 HydrophobicContact CG-CG1 3.92Å; A382-I433 PolarHBondContact O-N 3Å; M383-I433 CarbonylContact C-O 3.57Å; M383-I433 WeakPolarHBondContact CA-O 3.36Å; M383-I433 HydrophobicContact CE-CG2 4.42Å; V384-I433 PolarHBondContact N-O 2.9Å; V413-I433 HydrophobicContact CB-CG2 4.27Å; V413-I433 HydrophobicContact CG2-CG2 3.95Å; L426-I433 HydrophobicContact CD2-CD1 3.46Å; L426-I433 VanDerWaalsContact CD2-CD1 3.46Å; L426-I433 HydrophobicContact CD2-CG1 3.99Å; T430-I433 HydrophobicContact CG2-CG1 3.91Å; I433-C435 HydrophobicContact CG2-CB 3.7Å; I433-M440 HydrophobicContact CD1-CE 3.98Å; I433-M440 HydrophobicContact CD1-SD 4.12Å; I433-M440 HydrophobicContact CG2-SD 3.9Å
434	V	97.9	Very high	93.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.6	161.7	-174.8	0	0	0	0	107.8	V384 T386 A392 I395 A396 T410 V411 C412 V413	V384-V434 HydrophobicContact CB-CG1 4.35Å; V384-V434 HydrophobicContact CB-CG2 4.34Å; V384-V434 CarbonylContact O-C 3.56Å; V384-V434 WeakPolarHBondContact O-CA 3.45Å; T386-V434 HydrophobicContact CG2-CG1 4.47Å; A392-V434 HydrophobicContact CB-CG1 4.12Å; A392-V434 WeakPolarHBondContact O-CG1 3.37Å; I395-V434 HydrophobicContact CB-CG1 3.92Å; I395-V434 HydrophobicContact CG2-CG1 3.91Å; I395-V434 HydrophobicContact CG2-CG2 4.07Å; A396-V434 HydrophobicContact CB-CB 4.14Å; A396-V434 HydrophobicContact CB-CG2 4.15Å; T410-V434 HydrophobicContact CG2-CG2 4.36Å; V411-V434 PolarHBondContact O-N 2.89Å; C412-V434 CarbonylContact C-O 3.59Å; C412-V434 WeakPolarHBondContact CA-O 3.47Å; V413-V434 PolarHBondContact N-O 3.15Å
435	C	96.7	Very high	93.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.8	-167.4	62.4	0	0	0	0	116.4	V384 M385 T386 V413 I433 M440	V384-C435 PolarHBondContact O-N 3.12Å; M385-C435 WeakPolarHBondContact CA-O 3.29Å; T386-C435 WeakPolarHBondContact CG2-O 3.32Å; T386-C435 PolarHBondContact N-O 2.81Å; V413-C435 HydrophobicContact CB-CB 3.8Å; V413-C435 HydrophobicContact CG1-CB 4.31Å; V413-C435 WeakPolarHBondContact O-CA 3.34Å; V413-C435 WeakPolarHBondContact O-CB 3.29Å; I433-C435 HydrophobicContact CG2-CB 3.7Å; C435-M440 HydrophobicContact CB-CB 4.14Å; C435-M440 HydrophobicContact CB-CG 4.41Å; C435-M440 HydrophobicContact CB-SD 4.01Å
436	T	94.7	Very high	92.7	Very high	13 Å²	13	27.4 Å²	27.4	8%	0.08	14%	0.141	C	C	.	.			trans	-91.7	134.9	162.6	59.1	0	0	0	0	109.5	R389 A392 V413 Y414 G438 R439 M440	R389-T436 HydrophobicContact CG-CG2 4.24Å; A392-T436 HydrophobicContact CB-CG2 4.43Å; V413-T436 PolarHBondContact O-N 3.26Å; Y414-T436 WeakPolarHBondContact CA-OG1 3.45Å; T436-G438 PolarHBondContact O-N 2.9Å; T436-R439 PolarHBondContact O-N 2.94Å; T436-M440 PolarHBondContact O-N 3.29Å
437	P	93.6	Very high	92	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-49.4	-53	-170.6	-32.1	36.3	0	0	0	115.7	M385 T386 R439 M440 I441 M468 F473 Q476 V477 I480	M385-P437 HydrophobicContact SD-CG 4.26Å; T386-P437 WeakPolarHBondContact O-CD 3.22Å; P437-R439 VanDerWaalsContact C-N 3.34Å; P437-R439 PolarHBondContact O-N 3.28Å; P437-M440 WeakPolarHBondContact O-CA 3.47Å; P437-M440 WeakPolarHBondContact O-CB 3.48Å; P437-M440 PolarHBondContact O-N 3.18Å; P437-I441 PolarHBondContact O-N 3.1Å; P437-M468 HydrophobicContact CG-SD 4.22Å; P437-F473 HydrophobicContact CG-CB 4.34Å; P437-F473 HydrophobicContact CG-CG 4.43Å; P437-Q476 HydrophobicContact CB-CB 3.79Å; P437-V477 HydrophobicContact CB-CG2 4.3Å; P437-V477 HydrophobicContact CG-CG2 3.76Å; P437-I480 HydrophobicContact CB-CD1 3.95Å
438	G	92.6	Very high	91.2	Very high	26 Å²	26	32.5 Å²	32.5	27%	0.268	18%	0.175	S	C	.	.	H	α-helix	trans	-58.1	-39.7	-176.1	0	0	0	0	0	114.4	T436 I441 D442	T436-G438 PolarHBondContact O-N 2.9Å; G438-I441 WeakPolarHBondContact O-CB 3.23Å; G438-I441 PolarHBondContact O-N 3.39Å; G438-D442 PolarHBondContact O-N 2.79Å; G438-D442 VanDerWaalsContact O-N 3.12Å
439	R	92.9	Very high	90.3	Very high	25 Å²	25	24.4 Å²	24.4	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-73.6	-30.9	175.5	-173.2	63.5	153.8	-143.8	-22.7	112.5	V413 T417 T436 P437 I441 D442 M443	V413-R439 HydrophobicContact CG1-CB 4.21Å; V413-R439 HydrophobicContact CG1-CG 3.65Å; T417-R439 PolarHBondContact O-NH2 2.8Å; T436-R439 PolarHBondContact O-N 2.94Å; P437-R439 VanDerWaalsContact C-N 3.34Å; P437-R439 PolarHBondContact O-N 3.28Å; R439-I441 VanDerWaalsContact C-N 3.27Å; R439-I441 PolarHBondContact O-N 3.07Å; R439-D442 WeakPolarHBondContact O-CB 3.48Å; R439-D442 PolarHBondContact O-N 3.33Å; R439-M443 WeakPolarHBondContact O-CG 3.41Å; R439-M443 PolarHBondContact O-N 3.11Å
440	M	94.9	Very high	89.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-36.3	173.6	-165.2	65.1	-123.6	0	0	111	M383 V413 I433 C435 T436 P437 M443 L444 T452 L454 I480	M383-M440 HydrophobicContact CE-CE 3.99Å; M383-M440 HydrophobicContact CE-CG 3.68Å; M383-M440 HydrophobicContact CE-SD 3.47Å; M383-M440 WeakPolarHBondContact CE-SD 3.37Å; M383-M440 HydrophobicContact SD-CG 4.46Å; V413-M440 HydrophobicContact CG1-SD 4.19Å; I433-M440 HydrophobicContact CD1-CE 3.98Å; I433-M440 HydrophobicContact CD1-SD 4.12Å; I433-M440 HydrophobicContact CG2-SD 3.9Å; C435-M440 HydrophobicContact CB-CB 4.14Å; C435-M440 HydrophobicContact CB-CG 4.41Å; C435-M440 HydrophobicContact CB-SD 4.01Å; T436-M440 PolarHBondContact O-N 3.29Å; P437-M440 WeakPolarHBondContact O-CA 3.47Å; P437-M440 WeakPolarHBondContact O-CB 3.48Å; P437-M440 PolarHBondContact O-N 3.18Å; M440-M443 HydrophobicContact CE-CB 4.07Å; M440-M443 PolarHBondContact O-N 3.45Å; M440-L444 HydrophobicContact CE-CD1 4.13Å; M440-L444 HydrophobicContact CE-CD2 4.25Å; M440-L444 HydrophobicContact CE-CG 3.85Å; M440-L444 HydrophobicContact CG-CD1 4.24Å; M440-L444 WeakPolarHBondContact O-CD1 3.47Å; M440-L444 VanDerWaalsContact O-CG 3.31Å; M440-L444 WeakPolarHBondContact O-CG 3.27Å; M440-L444 PolarHBondContact O-N 3.23Å; M440-L444 VanDerWaalsContact O-N 3.1Å; M440-T452 HydrophobicContact CE-CG2 3.84Å; M440-L454 HydrophobicContact CE-CD2 4.33Å; M440-I480 HydrophobicContact CB-CD1 3.9Å; M440-I480 HydrophobicContact CG-CD1 4.22Å
441	I	92.9	Very high	89.4	Confident	17 Å²	17	30.6 Å²	30.6	9%	0.087	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-47.7	170.8	-68.9	172.8	0	0	0	110.8	L252 P437 G438 R439 M443 L444 A445 Q476 K479 I480	L252-I441 HydrophobicContact CD1-CB 4.2Å; L252-I441 HydrophobicContact CD1-CG1 3.91Å; L252-I441 HydrophobicContact CD1-CG2 3.95Å; L252-I441 HydrophobicContact CG-CG2 4.04Å; P437-I441 PolarHBondContact O-N 3.1Å; G438-I441 WeakPolarHBondContact O-CB 3.23Å; G438-I441 PolarHBondContact O-N 3.39Å; R439-I441 VanDerWaalsContact C-N 3.27Å; R439-I441 PolarHBondContact O-N 3.07Å; I441-M443 VanDerWaalsContact C-N 3.3Å; I441-M443 PolarHBondContact O-N 3.2Å; I441-L444 PolarHBondContact O-N 3.13Å; I441-L444 VanDerWaalsContact O-N 3.15Å; I441-A445 PolarHBondContact O-N 2.91Å; I441-Q476 HydrophobicContact CD1-CB 3.66Å; I441-Q476 HydrophobicContact CD1-CG 3.98Å; I441-K479 HydrophobicContact CD1-CB 4.41Å; I441-I480 HydrophobicContact CG1-CD1 4.12Å; I441-I480 HydrophobicContact CG1-CG1 3.89Å
442	D	91.4	Very high	89.1	Confident	34 Å²	34	29.7 Å²	29.7	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-54.7	-44.6	174.3	-66.6	-23.5	0	0	0	112	K250 G438 R439 L444 A445 A446	K250-D442 WeakPolarHBondContact CD-OD1 3.24Å; K250-D442 VanDerWaalsContact CE-OD1 3.28Å; K250-D442 WeakPolarHBondContact CE-OD1 3.42Å; K250-D442 IonicContact NZ-OD1 3.13Å; K250-D442 PolarHBondContact NZ-OD1 3.18Å; K250-D442 IonicContact NZ-OD2 3.3Å; G438-D442 PolarHBondContact O-N 2.79Å; G438-D442 VanDerWaalsContact O-N 3.12Å; R439-D442 WeakPolarHBondContact O-CB 3.48Å; R439-D442 PolarHBondContact O-N 3.33Å; D442-L444 VanDerWaalsContact C-N 3.3Å; D442-L444 PolarHBondContact O-N 2.82Å; D442-A445 PolarHBondContact O-N 2.94Å; D442-A446 VanDerWaalsContact O-CB 3.23Å; D442-A446 WeakPolarHBondContact O-CB 3.48Å; D442-A446 PolarHBondContact O-N 3.41Å
443	M	91.5	Very high	88.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.7	-27.3	-179.2	-69.6	-58.9	93.2	0	0	113.7	V413 I419 Q422 I423 L426 R439 M440 I441 V451 T452	V413-M443 HydrophobicContact CG1-CB 4.4Å; V413-M443 HydrophobicContact CG1-CG 3.46Å; V413-M443 VanDerWaalsContact CG1-CG 3.46Å; I419-M443 HydrophobicContact CD1-CE 3.66Å; I419-M443 HydrophobicContact CG1-CE 3.36Å; Q422-M443 HydrophobicContact CB-SD 4.21Å; I423-M443 HydrophobicContact CD1-CE 4.4Å; I423-M443 HydrophobicContact CG1-CE 4.05Å; I423-M443 HydrophobicContact CG1-SD 3.85Å; L426-M443 HydrophobicContact CD1-CB 4Å; L426-M443 HydrophobicContact CD1-CG 3.73Å; L426-M443 HydrophobicContact CD1-SD 3.66Å; R439-M443 WeakPolarHBondContact O-CG 3.41Å; R439-M443 PolarHBondContact O-N 3.11Å; M440-M443 HydrophobicContact CE-CB 4.07Å; M440-M443 PolarHBondContact O-N 3.45Å; I441-M443 VanDerWaalsContact C-N 3.3Å; I441-M443 PolarHBondContact O-N 3.2Å; M443-V451 HydrophobicContact SD-CG1 4.36Å; M443-T452 HydrophobicContact CB-CG2 4.25Å
444	L	91.6	Very high	88.6	Confident	20 Å²	20	32 Å²	32	11%	0.105	18%	0.182	C	C	.	.	H	α-helix	trans	-85	-29.4	177.5	-70.7	163.5	0	0	0	112.5	L252 M440 I441 D442 G449 T452 L454	L252-L444 HydrophobicContact CD1-CB 4.29Å; L252-L444 HydrophobicContact CD1-CD1 4.35Å; L252-L444 HydrophobicContact CD2-CB 3.52Å; M440-L444 HydrophobicContact CE-CD1 4.13Å; M440-L444 HydrophobicContact CE-CD2 4.25Å; M440-L444 HydrophobicContact CE-CG 3.85Å; M440-L444 HydrophobicContact CG-CD1 4.24Å; M440-L444 WeakPolarHBondContact O-CD1 3.47Å; M440-L444 VanDerWaalsContact O-CG 3.31Å; M440-L444 WeakPolarHBondContact O-CG 3.27Å; M440-L444 PolarHBondContact O-N 3.23Å; M440-L444 VanDerWaalsContact O-N 3.1Å; I441-L444 PolarHBondContact O-N 3.13Å; I441-L444 VanDerWaalsContact O-N 3.15Å; D442-L444 VanDerWaalsContact C-N 3.3Å; D442-L444 PolarHBondContact O-N 2.82Å; L444-G449 WeakPolarHBondContact O-CA 3.31Å; L444-T452 HydrophobicContact CD2-CG2 4.14Å; L444-L454 HydrophobicContact CD1-CD1 3.81Å; L444-L454 HydrophobicContact CD1-CD2 4.02Å; L444-L454 HydrophobicContact CD1-CG 4.06Å; L444-L454 HydrophobicContact CD2-CD1 4.35Å; L444-L454 HydrophobicContact CD2-CD2 3.68Å; L444-L454 HydrophobicContact CD2-CG 3.69Å; L444-L454 HydrophobicContact CG-CD2 4.37Å
445	A	87.5	Confident	88.3	Confident	28 Å²	28	39 Å²	39	23%	0.231	21%	0.209	C	C	.	.	H	α-helix	trans	-77.4	-35.8	172.5	0	0	0	0	0	111.9	L252 I441 D442 N447 N448	L252-A445 HydrophobicContact CD2-CB 3.93Å; I441-A445 PolarHBondContact O-N 2.91Å; D442-A445 PolarHBondContact O-N 2.94Å; A445-N447 PolarHBondContact O-N 2.85Å; A445-N448 PolarHBondContact O-N 2.97Å; A445-N448 VanDerWaalsContact O-N 3.14Å
446	A	82.5	Confident	88.2	Confident	19 Å²	19	40.1 Å²	40.1	16%	0.157	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-55	133.8	-173.3	0	0	0	0	0	113.5	D442 N448 G449 V451	D442-A446 VanDerWaalsContact O-CB 3.23Å; D442-A446 WeakPolarHBondContact O-CB 3.48Å; D442-A446 PolarHBondContact O-N 3.41Å; A446-N448 PolarHBondContact O-N 2.97Å; A446-G449 PolarHBondContact O-N 3.45Å; A446-V451 HydrophobicContact CB-CG2 3.75Å
447	N	77.5	Confident	88.2	Confident	87 Å²	87	39.5 Å²	39.5	47%	0.465	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	53.1	37.1	-177.1	-55.1	-68.6	0	0	0	113.2	A445 G449 K450 V451	A445-N447 PolarHBondContact O-N 2.85Å; N447-G449 VanDerWaalsContact C-N 3.3Å; N447-G449 PolarHBondContact O-N 3.47Å; N447-K450 HydrophobicContact CB-CB 4.06Å; N447-K450 WeakPolarHBondContact O-CB 3.43Å; N447-K450 WeakPolarHBondContact O-CG 3.33Å; N447-K450 PolarHBondContact O-N 3.24Å; N447-V451 HydrophobicContact CB-CG2 4.2Å; N447-V451 WeakPolarHBondContact ND2-CG2 3.26Å
448	N	72	Confident	88.4	Confident	157 Å²	157	39.5 Å²	39.5	84%	0.84	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	53.6	45.2	-177.7	-56.6	7.8	0	0	0	112.1	A445 A446 K450	A445-N448 PolarHBondContact O-N 2.97Å; A445-N448 VanDerWaalsContact O-N 3.14Å; A446-N448 PolarHBondContact O-N 2.97Å; N448-K450 VanDerWaalsContact C-N 3.32Å; N448-K450 PolarHBondContact O-N 2.75Å
449	G	70.4	Confident	88.7	Confident	30 Å²	30	38.3 Å²	38.3	31%	0.309	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	79.5	1.6	-178.5	0	0	0	0	0	115.7	L444 A446 N447 V451	L444-G449 WeakPolarHBondContact O-CA 3.31Å; A446-G449 PolarHBondContact O-N 3.45Å; N447-G449 VanDerWaalsContact C-N 3.3Å; N447-G449 PolarHBondContact O-N 3.47Å; G449-V451 PolarHBondContact O-N 2.96Å
450	K	77.5	Confident	88.9	Confident	150 Å²	150	37.1 Å²	37.1	65%	0.652	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	5.8	179.4	-61.1	174.6	-179.9	178.7	0	114.6	N447 N448	N447-K450 HydrophobicContact CB-CB 4.06Å; N447-K450 WeakPolarHBondContact O-CB 3.43Å; N447-K450 WeakPolarHBondContact O-CG 3.33Å; N447-K450 PolarHBondContact O-N 3.24Å; N448-K450 VanDerWaalsContact C-N 3.32Å; N448-K450 PolarHBondContact O-N 2.75Å
451	V	86.1	Confident	89	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.042	19%	0.192	C	C	.	.	S	Bend	trans	-90.3	-48.3	174	174.4	0	0	0	0	111.7	I423 L426 M443 A446 N447 G449	I423-V451 HydrophobicContact CB-CG1 4.31Å; I423-V451 HydrophobicContact CD1-CG2 4.43Å; I423-V451 HydrophobicContact CG1-CG1 3.99Å; I423-V451 HydrophobicContact CG1-CG2 4.14Å; I423-V451 HydrophobicContact CG2-CG1 4.2Å; I423-V451 HydrophobicContact CG2-CG2 4.04Å; L426-V451 HydrophobicContact CB-CG1 4.01Å; L426-V451 HydrophobicContact CD1-CG1 3.83Å; M443-V451 HydrophobicContact SD-CG1 4.36Å; A446-V451 HydrophobicContact CB-CG2 3.75Å; N447-V451 HydrophobicContact CB-CG2 4.2Å; N447-V451 WeakPolarHBondContact ND2-CG2 3.26Å; G449-V451 PolarHBondContact O-N 2.96Å
452	T	90.6	Very high	89.2	Confident	11 Å²	11	36.3 Å²	36.3	7%	0.067	19%	0.188	C	C	.	.			trans	-160.4	153.4	179.1	-176.2	0	0	0	0	108.8	L426 M440 M443 L444	L426-T452 HydrophobicContact CD1-CG2 4.07Å; M440-T452 HydrophobicContact CE-CG2 3.84Å; M443-T452 HydrophobicContact CB-CG2 4.25Å; L444-T452 HydrophobicContact CD2-CG2 4.14Å
453	N	90.9	Very high	89.3	Confident	41 Å²	41	35 Å²	35	22%	0.219	18%	0.181	C	C	.	.			trans	-122.4	174.3	170.1	68	82.5	0	0	0	110.1	M377 G379 P380 R455	M377-N453 PolarHBondContact O-ND2 2.89Å; G379-N453 WeakPolarHBondContact CA-O 3.23Å; G379-N453 PolarHBondContact N-ND2 2.9Å; P380-N453 WeakPolarHBondContact CD-O 3.27Å; N453-R455 HydrophobicContact CB-CG 4.47Å; N453-R455 VanDerWaalsContact OD1-CB 3.3Å; N453-R455 WeakPolarHBondContact OD1-CB 3.05Å; N453-R455 WeakPolarHBondContact OD1-CG 3.44Å; N453-R455 PolarHBondContact OD1-N 3.04Å
454	L	94.3	Very high	89.1	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.031	19%	0.185	C	C	.	.			trans	-109.3	9.5	179.4	-53.8	-175.1	0	0	0	113.5	M383 M440 L444 R456 I457 I480 N483 I484	M383-L454 HydrophobicContact CE-CD2 3.75Å; M440-L454 HydrophobicContact CE-CD2 4.33Å; L444-L454 HydrophobicContact CD1-CD1 3.81Å; L444-L454 HydrophobicContact CD1-CD2 4.02Å; L444-L454 HydrophobicContact CD1-CG 4.06Å; L444-L454 HydrophobicContact CD2-CD1 4.35Å; L444-L454 HydrophobicContact CD2-CD2 3.68Å; L444-L454 HydrophobicContact CD2-CG 3.69Å; L444-L454 HydrophobicContact CG-CD2 4.37Å; L454-R456 VanDerWaalsContact C-N 3.29Å; L454-R456 PolarHBondContact O-N 3.22Å; L454-I457 HydrophobicContact CB-CD1 3.95Å; L454-I457 HydrophobicContact CD2-CD1 3.46Å; L454-I457 VanDerWaalsContact CD2-CD1 3.46Å; L454-I457 HydrophobicContact CG-CD1 4.2Å; L454-I457 PolarHBondContact O-N 3.43Å; L454-I457 VanDerWaalsContact O-N 3.09Å; L454-I480 HydrophobicContact CD1-CG2 3.95Å; L454-I480 WeakPolarHBondContact CD1-O 3.43Å; L454-N483 HydrophobicContact CD1-CB 3.74Å; L454-I484 HydrophobicContact CB-CG1 4.02Å; L454-I484 HydrophobicContact CD1-CD1 4.39Å; L454-I484 HydrophobicContact CD1-CG1 3.62Å; L454-I484 HydrophobicContact CG-CG1 4.39Å
455	R	92	Very high	88.8	Confident	147 Å²	147	34.9 Å²	34.9	56%	0.555	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-30	-166.8	-64	178.4	176.1	178.6	-1.3	113.7	V260 Y262 N453	V260-R455 HydrophobicContact CG1-CG 4.41Å; Y262-R455 HydrophobicContact CE1-CB 4.31Å; N453-R455 HydrophobicContact CB-CG 4.47Å; N453-R455 VanDerWaalsContact OD1-CB 3.3Å; N453-R455 WeakPolarHBondContact OD1-CB 3.05Å; N453-R455 WeakPolarHBondContact OD1-CG 3.44Å; N453-R455 PolarHBondContact OD1-N 3.04Å
456	R	94.1	Very high	88.5	Confident	24 Å²	24	33.7 Å²	33.7	9%	0.091	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.1	177.2	-76.5	-160	65.4	168	-4.4	115.1	P372 P373 D378 P380 L454 T458	P372-R456 PolarHBondContact O-NH2 2.92Å; P373-R456 PolarHBondContact O-NH1 3Å; D378-R456 WeakPolarHBondContact OD1-CD 3.47Å; D378-R456 WeakPolarHBondContact OD1-CG 3.32Å; D378-R456 WeakPolarHBondContact OD2-CD 3.18Å; D378-R456 IonicContact OD2-CZ 3.77Å; D378-R456 IonicContact OD2-NE 2.85Å; D378-R456 IonicContact OD2-NH1 3.98Å; D378-R456 PolarHBondContact OD2-NH1 3.29Å; P380-R456 CarbonylContact O-C 3.53Å; P380-R456 WeakPolarHBondContact O-CB 3.25Å; L454-R456 VanDerWaalsContact C-N 3.29Å; L454-R456 PolarHBondContact O-N 3.22Å; R456-T458 WeakPolarHBondContact O-CG2 3.37Å; R456-T458 PolarHBondContact O-N 3.06Å; R456-T458 PolarHBondContact O-OG1 3.22Å
457	I	96.5	Very high	88.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.			trans	-66.8	112.3	-180	-63.9	176.2	0	0	0	108.8	P380 I381 M383 L454 I484 R485	P380-I457 HydrophobicContact CG-CD1 3.97Å; P380-I457 HydrophobicContact CG-CG1 3.89Å; P380-I457 WeakPolarHBondContact O-CA 3.32Å; P380-I457 WeakPolarHBondContact O-CG1 3.47Å; P380-I457 PolarHBondContact O-N 2.8Å; I381-I457 WeakPolarHBondContact O-CA 3.32Å; M383-I457 HydrophobicContact CB-CD1 3.85Å; M383-I457 HydrophobicContact CB-CG2 4.34Å; M383-I457 HydrophobicContact CE-CD1 3.71Å; M383-I457 HydrophobicContact SD-CD1 4.15Å; L454-I457 HydrophobicContact CB-CD1 3.95Å; L454-I457 HydrophobicContact CD2-CD1 3.46Å; L454-I457 VanDerWaalsContact CD2-CD1 3.46Å; L454-I457 HydrophobicContact CG-CD1 4.2Å; L454-I457 PolarHBondContact O-N 3.43Å; L454-I457 VanDerWaalsContact O-N 3.09Å; I457-I484 HydrophobicContact CB-CG2 3.84Å; I457-I484 HydrophobicContact CD1-CD1 4.42Å; I457-I484 HydrophobicContact CD1-CG1 4.37Å; I457-I484 HydrophobicContact CG2-CD1 4.23Å; I457-I484 HydrophobicContact CG2-CG1 4.47Å; I457-I484 HydrophobicContact CG2-CG2 3.76Å; I457-I484 WeakPolarHBondContact O-CG2 3.25Å; I457-R485 WeakPolarHBondContact O-CD 3.39Å; I457-R485 VanDerWaalsContact O-CG 3.31Å; I457-R485 WeakPolarHBondContact O-CG 3.43Å
458	T	97.3	Very high	88.5	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.142	C	C	.	.			trans	-118.4	-10.2	-177.7	42.3	0	0	0	0	111.2	F265 H367 Q371 I381 R456 Q489	F265-T458 HydrophobicContact CB-CG2 4.43Å; F265-T458 HydrophobicContact CD1-CG2 3.57Å; F265-T458 HydrophobicContact CD2-CG2 3.73Å; F265-T458 HydrophobicContact CE1-CG2 3.58Å; F265-T458 HydrophobicContact CE2-CG2 3.75Å; F265-T458 HydrophobicContact CG-CG2 3.64Å; F265-T458 HydrophobicContact CZ-CG2 3.65Å; H367-T458 WeakPolarHBondContact NE2-CB 3.47Å; H367-T458 PolarHBondContact NE2-OG1 3.26Å; Q371-T458 PolarHBondContact NE2-OG1 2.93Å; I381-T458 PolarHBondContact O-N 2.94Å; I381-T458 PolarHBondContact O-OG1 2.9Å; R456-T458 WeakPolarHBondContact O-CG2 3.37Å; R456-T458 PolarHBondContact O-N 3.06Å; R456-T458 PolarHBondContact O-OG1 3.22Å; T458-Q489 PolarHBondContact O-N 3.2Å
459	Y	97.9	Very high	88.7	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	109.7	179.3	-168.6	-86.7	0	0	0	109.8	I340 F360 P363 M364 H367 I381 A382 M383 V461 I491	I340-Y459 HydrophobicContact CG2-CE2 3.73Å; F360-Y459 PolarHBondContact O-OH 2.85Å; P363-Y459 WeakPolarHBondContact CG-OH 3.42Å; M364-Y459 HydrophobicContact CB-CD1 3.97Å; M364-Y459 HydrophobicContact CB-CE1 3.43Å; M364-Y459 VanDerWaalsContact CB-CE1 3.43Å; M364-Y459 HydrophobicContact CB-CE2 4.48Å; M364-Y459 HydrophobicContact CG-CD1 3.6Å; M364-Y459 HydrophobicContact CG-CE1 3.58Å; M364-Y459 HydrophobicContact CG-CG 4.32Å; M364-Y459 PolarHBondContact N-OH 2.89Å; M364-Y459 HydrophobicContact SD-CD1 4.24Å; M364-Y459 HydrophobicContact SD-CE1 4.19Å; H367-Y459 HydrophobicContact CB-CD2 4.15Å; H367-Y459 AromaticContact CG-CD2 3.85Å; H367-Y459 AromaticContact ND1-CD2 3.99Å; I381-Y459 PolarHBondContact O-N 3.24Å; A382-Y459 VanDerWaalsContact CA-O 3.28Å; A382-Y459 WeakPolarHBondContact CA-O 3.35Å; A382-Y459 HydrophobicContact CB-CD1 4.19Å; M383-Y459 PolarHBondContact N-O 2.97Å; Y459-V461 HydrophobicContact CD1-CG2 3.99Å; Y459-V461 HydrophobicContact CE1-CG2 3.5Å; Y459-V461 VanDerWaalsContact CE1-CG2 3.5Å; Y459-I491 HydrophobicContact CD1-CD1 4.49Å; Y459-I491 HydrophobicContact CD2-CD1 4.13Å; Y459-I491 HydrophobicContact CE1-CD1 3.84Å; Y459-I491 HydrophobicContact CE2-CD1 3.41Å; Y459-I491 VanDerWaalsContact CE2-CD1 3.41Å; Y459-I491 WeakPolarHBondContact OH-CD1 3.41Å
460	L	97.9	Very high	88.8	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.3	-178.8	177.7	64.2	0	0	0	110.4	M383 M385 L462 I481 I484 Q489 T490 I491	M383-L460 HydrophobicContact CB-CD1 4.07Å; M383-L460 HydrophobicContact CG-CD1 3.99Å; M383-L460 HydrophobicContact SD-CD1 4.18Å; M385-L460 HydrophobicContact CE-CD1 3.83Å; M385-L460 HydrophobicContact CE-CD2 4.47Å; L460-L462 HydrophobicContact CD2-CD2 4.5Å; L460-L462 HydrophobicContact CG-CD2 4.43Å; L460-I481 HydrophobicContact CD2-CD1 4.12Å; L460-I481 HydrophobicContact CD2-CG1 3.81Å; L460-I484 HydrophobicContact CD1-CD1 3.99Å; L460-I484 HydrophobicContact CD2-CD1 3.85Å; L460-I484 HydrophobicContact CG-CD1 4.42Å; L460-Q489 PolarHBondContact N-O 3.37Å; L460-T490 HydrophobicContact CB-CG2 4.47Å; L460-T490 HydrophobicContact CD2-CG2 4.01Å; L460-T490 HydrophobicContact CG-CG2 4.34Å; L460-T490 CarbonylContact O-C 3.56Å; L460-T490 WeakPolarHBondContact O-CA 3.49Å; L460-I491 PolarHBondContact O-N 2.75Å
461	V	97.6	Very high	88.6	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.7	172.9	-174.4	0	0	0	0	110	F360 M383 V384 M385 Y459 D463 I491	F360-V461 HydrophobicContact CB-CG1 4.19Å; F360-V461 HydrophobicContact CB-CG2 3.98Å; F360-V461 HydrophobicContact CD1-CG1 3.88Å; F360-V461 HydrophobicContact CD2-CB 4.45Å; F360-V461 HydrophobicContact CD2-CG1 3.95Å; F360-V461 HydrophobicContact CD2-CG2 4.03Å; F360-V461 HydrophobicContact CE1-CG1 4.1Å; F360-V461 HydrophobicContact CE2-CG1 4.2Å; F360-V461 HydrophobicContact CG-CG1 3.78Å; F360-V461 HydrophobicContact CG-CG2 4.16Å; F360-V461 HydrophobicContact CZ-CG1 4.26Å; M383-V461 PolarHBondContact O-N 2.68Å; V384-V461 WeakPolarHBondContact CA-O 3.33Å; V384-V461 HydrophobicContact CB-CB 4.29Å; V384-V461 HydrophobicContact CG1-CB 4.04Å; V384-V461 HydrophobicContact CG1-CG1 4.09Å; V384-V461 HydrophobicContact CG2-CB 4.05Å; V384-V461 HydrophobicContact CG2-CG2 4.2Å; M385-V461 PolarHBondContact N-O 3.49Å; Y459-V461 HydrophobicContact CD1-CG2 3.99Å; Y459-V461 HydrophobicContact CE1-CG2 3.5Å; Y459-V461 VanDerWaalsContact CE1-CG2 3.5Å; V461-D463 HydrophobicContact CG1-CB 4.43Å; V461-I491 CarbonylContact C-O 3.57Å; V461-I491 VanDerWaalsContact CA-O 3.31Å; V461-I491 WeakPolarHBondContact CA-O 3.26Å; V461-I491 HydrophobicContact CG2-CB 4.44Å
462	L	95.4	Very high	88.4	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	101.9	168.3	-53	178.4	0	0	0	107	M385 L460 A465 M468 V477 I481 I491 M492 F493	M385-L462 HydrophobicContact CB-CD2 4.06Å; M385-L462 HydrophobicContact CE-CD2 3.75Å; L460-L462 HydrophobicContact CD2-CD2 4.5Å; L460-L462 HydrophobicContact CG-CD2 4.43Å; L462-A465 HydrophobicContact CB-CB 3.91Å; L462-M468 HydrophobicContact CB-CE 3.8Å; L462-M468 HydrophobicContact CD2-CE 4.24Å; L462-V477 HydrophobicContact CD2-CG1 4.18Å; L462-I481 HydrophobicContact CD1-CD1 4.44Å; L462-I491 PolarHBondContact N-O 2.68Å; L462-M492 HydrophobicContact CD1-CE 3.8Å; L462-M492 CarbonylContact O-C 3.53Å; L462-M492 WeakPolarHBondContact O-CA 3.49Å; L462-F493 PolarHBondContact O-N 3.38Å
463	D	93.6	Very high	88.1	Confident	6 Å²	6	22.6 Å²	22.6	3%	0.032	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.9	179.9	-164.6	18.6	0	0	0	111.4	F360 M385 P387 I395 V461 A465 F493	F360-D463 HydrophobicContact CE1-CB 4.03Å; F360-D463 WeakPolarHBondContact CE1-OD2 3.31Å; F360-D463 HydrophobicContact CZ-CB 4.15Å; F360-D463 WeakPolarHBondContact CZ-OD2 3.47Å; M385-D463 PolarHBondContact O-N 3.36Å; P387-D463 VanDerWaalsContact CD-O 3.31Å; P387-D463 WeakPolarHBondContact CD-O 3.14Å; I395-D463 HydrophobicContact CD1-CB 4.34Å; V461-D463 HydrophobicContact CG1-CB 4.43Å; D463-A465 PolarHBondContact O-N 3.37Å; D463-F493 WeakPolarHBondContact OD1-CB 3.42Å
464	E	87.7	Confident	87.9	Confident	17 Å²	17	23.2 Å²	23.2	8%	0.079	12%	0.116	C	C	.	.	S	Bend	trans	46.2	48.2	-161.3	-60.4	-165.2	145.2	0	0	111.8	P387 L391 D466 R467 M468 F493	P387-E464 HydrophobicContact CG-CB 3.93Å; L391-E464 HydrophobicContact CD2-CB 4.25Å; L391-E464 HydrophobicContact CD2-CG 3.69Å; L391-E464 WeakPolarHBondContact CD2-OE2 3.49Å; E464-D466 VanDerWaalsContact C-N 3.28Å; E464-D466 VanDerWaalsContact C-OD1 3.28Å; E464-D466 PolarHBondContact O-N 2.96Å; E464-R467 PolarHBondContact O-N 3.12Å; E464-R467 VanDerWaalsContact O-N 3.15Å; E464-R467 IonicContact OE1-CZ 3.38Å; E464-R467 IonicContact OE1-NH1 2.69Å; E464-R467 PolarHBondContact OE1-NH1 3.21Å; E464-R467 IonicContact OE1-NH2 2.92Å; E464-R467 PolarHBondContact OE1-NH2 3.39Å; E464-R467 IonicContact OE2-CZ 3.86Å; E464-R467 VanDerWaalsContact OE2-CZ 3.29Å; E464-R467 IonicContact OE2-NE 3.78Å; E464-R467 IonicContact OE2-NH1 2.71Å; E464-R467 PolarHBondContact OE2-NH1 3.3Å; E464-R467 IonicContact OE2-NH2 2.82Å; E464-M468 PolarHBondContact O-N 3.26Å; E464-F493 PolarHBondContact N-O 3.45Å; E464-F493 VanDerWaalsContact N-O 3.13Å
465	A	85.1	Confident	87.6	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-26.5	-174.8	0	0	0	0	0	113.2	L462 D463 R467 M468 F469 M492 F493 M501	L462-A465 HydrophobicContact CB-CB 3.91Å; D463-A465 PolarHBondContact O-N 3.37Å; A465-R467 VanDerWaalsContact C-N 3.34Å; A465-R467 PolarHBondContact O-N 3.32Å; A465-M468 HydrophobicContact CB-CE 3.91Å; A465-M468 PolarHBondContact O-N 2.81Å; A465-F469 WeakPolarHBondContact O-CD2 3.4Å; A465-F469 WeakPolarHBondContact O-CE2 3.34Å; A465-M492 HydrophobicContact CB-CG 3.79Å; A465-F493 PolarHBondContact N-O 3.14Å; A465-M501 HydrophobicContact CB-CE 3.52Å
466	D	82.5	Confident	87.6	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-50.6	-53.4	166.5	45.3	9.3	0	0	0	111.2	E464 M468 F469 D470 S494 A495 T496 M501 H639	E464-D466 VanDerWaalsContact C-N 3.28Å; E464-D466 VanDerWaalsContact C-OD1 3.28Å; E464-D466 PolarHBondContact O-N 2.96Å; D466-M468 PolarHBondContact O-N 3.27Å; D466-F469 WeakPolarHBondContact O-CD2 3.29Å; D466-F469 PolarHBondContact O-N 2.97Å; D466-D470 PolarHBondContact O-N 2.93Å; D466-S494 WeakPolarHBondContact CB-OG 3.31Å; D466-S494 PolarHBondContact OD2-OG 2.95Å; D466-A495 PolarHBondContact OD2-N 3.35Å; D466-T496 WeakPolarHBondContact CB-OG1 3.47Å; D466-T496 PolarHBondContact OD2-N 2.79Å; D466-T496 PolarHBondContact OD2-OG1 3.12Å; D466-T496 VanDerWaalsContact OD2-OG1 3.09Å; D466-M501 HydrophobicContact CB-SD 3.8Å; D466-H639 IonicContact OD2-CE1 3.86Å; D466-H639 PolarHBondContact OD2-CE1 3.43Å; D466-H639 IonicContact OD2-NE2 3.79Å
467	R	79.3	Confident	87.5	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.7	-16.8	-178.7	-59.9	-169.9	-165.2	137.3	34	114.5	P387 E464 A465 F469 M471 H639 R643	P387-R467 HydrophobicContact CB-CB 4.37Å; P387-R467 HydrophobicContact CG-CB 4.04Å; E464-R467 PolarHBondContact O-N 3.12Å; E464-R467 VanDerWaalsContact O-N 3.15Å; E464-R467 IonicContact OE1-CZ 3.38Å; E464-R467 IonicContact OE1-NH1 2.69Å; E464-R467 PolarHBondContact OE1-NH1 3.21Å; E464-R467 IonicContact OE1-NH2 2.92Å; E464-R467 PolarHBondContact OE1-NH2 3.39Å; E464-R467 IonicContact OE2-CZ 3.86Å; E464-R467 VanDerWaalsContact OE2-CZ 3.29Å; E464-R467 IonicContact OE2-NE 3.78Å; E464-R467 IonicContact OE2-NH1 2.71Å; E464-R467 PolarHBondContact OE2-NH1 3.3Å; E464-R467 IonicContact OE2-NH2 2.82Å; A465-R467 VanDerWaalsContact C-N 3.34Å; A465-R467 PolarHBondContact O-N 3.32Å; R467-F469 PolarHBondContact O-N 2.98Å; R467-M471 WeakPolarHBondContact O-CB 3.41Å; R467-M471 WeakPolarHBondContact O-CG 3.5Å; R467-M471 PolarHBondContact O-N 3.46Å; R467-H639 PolarHBondContact NE-CE1 3.4Å; R467-H639 PolarHBondContact NE-ND1 3.5Å; R467-H639 PolarHBondContact NH2-CD2 2.83Å; R467-H639 PolarHBondContact NH2-NE2 3.43Å; R467-R643 VanDerWaalsContact NH1-NH2 3.19Å
468	M	80.7	Confident	87.2	Confident	6 Å²	6	24.7 Å²	24.7	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-70.6	-20.9	171.2	-70.1	-165.8	-81.3	0	0	112.5	M385 P387 P437 L462 E464 A465 D466 F473 V477	M385-M468 HydrophobicContact CB-SD 4.4Å; P387-M468 HydrophobicContact CB-CG 3.91Å; P387-M468 HydrophobicContact CG-CG 4.3Å; P437-M468 HydrophobicContact CG-SD 4.22Å; L462-M468 HydrophobicContact CB-CE 3.8Å; L462-M468 HydrophobicContact CD2-CE 4.24Å; E464-M468 PolarHBondContact O-N 3.26Å; A465-M468 HydrophobicContact CB-CE 3.91Å; A465-M468 PolarHBondContact O-N 2.81Å; D466-M468 PolarHBondContact O-N 3.27Å; M468-F473 HydrophobicContact CB-CB 4.3Å; M468-F473 HydrophobicContact CG-CD2 4.44Å; M468-F473 WeakPolarHBondContact O-CA 3.43Å; M468-F473 WeakPolarHBondContact O-CB 2.82Å; M468-F473 PolarHBondContact O-N 3.5Å; M468-V477 HydrophobicContact SD-CG2 3.85Å
469	F	76.4	Confident	87	Confident	30 Å²	30	30.2 Å²	30.2	13%	0.132	16%	0.162	C	C	.	.	H	α-helix	trans	-82	-47.9	169.4	-54.4	-76	0	0	0	111.7	A465 D466 R467 M471 G472 E474 M501 L504	A465-F469 WeakPolarHBondContact O-CD2 3.4Å; A465-F469 WeakPolarHBondContact O-CE2 3.34Å; D466-F469 WeakPolarHBondContact O-CD2 3.29Å; D466-F469 PolarHBondContact O-N 2.97Å; R467-F469 PolarHBondContact O-N 2.98Å; F469-M471 PolarHBondContact O-N 2.92Å; F469-M471 VanDerWaalsContact O-N 3.1Å; F469-G472 PolarHBondContact O-N 2.9Å; F469-E474 HydrophobicContact CD1-CB 3.99Å; F469-E474 HydrophobicContact CE1-CB 4.13Å; F469-E474 HydrophobicContact CE1-CG 4.37Å; F469-M501 HydrophobicContact CD2-CB 4.13Å; F469-M501 HydrophobicContact CD2-CG 4.36Å; F469-M501 HydrophobicContact CE2-CB 3.86Å; F469-M501 HydrophobicContact CE2-CG 3.71Å; F469-M501 HydrophobicContact CE2-SD 4.42Å; F469-M501 HydrophobicContact CZ-CG 4.49Å; F469-L504 HydrophobicContact CE1-CB 3.48Å; F469-L504 VanDerWaalsContact CE1-CB 3.48Å; F469-L504 HydrophobicContact CE1-CD1 4.25Å; F469-L504 HydrophobicContact CE1-CD2 3.65Å; F469-L504 HydrophobicContact CE1-CG 3.92Å; F469-L504 HydrophobicContact CZ-CB 3.36Å; F469-L504 HydrophobicContact CZ-CD2 3.36Å; F469-L504 HydrophobicContact CZ-CG 3.86Å
470	D	71.4	Confident	86.7	Confident	55 Å²	55	30.2 Å²	30.2	29%	0.294	16%	0.162	S	C	.	.	H	α-helix	trans	-49.7	-39.8	177.5	-57.5	-6.7	0	0	0	112.2	D466 G472 R615	D466-D470 PolarHBondContact O-N 2.93Å; D470-G472 VanDerWaalsContact C-N 3.34Å; D470-R615 IonicContact OD2-CZ 2.71Å; D470-R615 IonicContact OD2-NH1 2.85Å; D470-R615 PolarHBondContact OD2-NH1 2.94Å; D470-R615 IonicContact OD2-NH2 3.66Å; D470-R615 PolarHBondContact OD2-NH2 3.05Å
471	M	73.3	Confident	86.6	Confident	52 Å²	52	30.8 Å²	30.8	26%	0.256	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	10.2	-177.3	-62.6	-179.3	63	0	0	113.6	P387 T388 R467 F469 F473 V612	P387-M471 HydrophobicContact CB-SD 3.93Å; T388-M471 HydrophobicContact CG2-SD 4.46Å; R467-M471 WeakPolarHBondContact O-CB 3.41Å; R467-M471 WeakPolarHBondContact O-CG 3.5Å; R467-M471 PolarHBondContact O-N 3.46Å; F469-M471 PolarHBondContact O-N 2.92Å; F469-M471 VanDerWaalsContact O-N 3.1Å; M471-F473 VanDerWaalsContact C-N 3.29Å; M471-F473 HydrophobicContact CB-CD2 3.8Å; M471-F473 HydrophobicContact CB-CE2 3.74Å; M471-F473 HydrophobicContact CB-CZ 4.45Å; M471-F473 HydrophobicContact CE-CE2 3.74Å; M471-F473 HydrophobicContact CE-CZ 4.08Å; M471-F473 PolarHBondContact O-N 2.84Å; M471-F473 HydrophobicContact SD-CE2 4.17Å; M471-V612 HydrophobicContact CE-CG1 3.77Å
472	G	81.8	Confident	86.3	Confident	48 Å²	48	32.6 Å²	32.6	50%	0.495	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	18.8	176.7	0	0	0	0	0	115.2	F469 D470 E474 P475	F469-G472 PolarHBondContact O-N 2.9Å; D470-G472 VanDerWaalsContact C-N 3.34Å; G472-E474 PolarHBondContact O-N 2.96Å; G472-P475 WeakPolarHBondContact O-CD 3.3Å
473	F	84.8	Confident	86.1	Confident	37 Å²	37	33.3 Å²	33.3	16%	0.162	18%	0.184	C	C	.	.			trans	-80.6	-5.3	-178.2	-64.9	-51	0	0	0	114.5	P387 P437 M468 M471 Q476 V477	P387-F473 HydrophobicContact CB-CD2 4.39Å; P387-F473 HydrophobicContact CB-CE2 4.25Å; P387-F473 WeakPolarHBondContact O-CE2 3.24Å; P437-F473 HydrophobicContact CG-CB 4.34Å; P437-F473 HydrophobicContact CG-CG 4.43Å; M468-F473 HydrophobicContact CB-CB 4.3Å; M468-F473 HydrophobicContact CG-CD2 4.44Å; M468-F473 WeakPolarHBondContact O-CA 3.43Å; M468-F473 WeakPolarHBondContact O-CB 2.82Å; M468-F473 PolarHBondContact O-N 3.5Å; M471-F473 VanDerWaalsContact C-N 3.29Å; M471-F473 HydrophobicContact CB-CD2 3.8Å; M471-F473 HydrophobicContact CB-CE2 3.74Å; M471-F473 HydrophobicContact CB-CZ 4.45Å; M471-F473 HydrophobicContact CE-CE2 3.74Å; M471-F473 HydrophobicContact CE-CZ 4.08Å; M471-F473 PolarHBondContact O-N 2.84Å; M471-F473 HydrophobicContact SD-CE2 4.17Å; F473-Q476 WeakPolarHBondContact O-CA 3.3Å; F473-Q476 WeakPolarHBondContact O-CB 3.4Å; F473-Q476 PolarHBondContact O-N 2.92Å; F473-V477 HydrophobicContact CB-CG2 4.34Å; F473-V477 WeakPolarHBondContact O-CG2 3.25Å; F473-V477 PolarHBondContact O-N 2.92Å
474	E	86.1	Confident	86.2	Confident	55 Å²	55	33 Å²	33	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-48.2	-49.2	178.8	172.1	170.5	-173.9	0	0	113.4	F469 G472 Q476 V477 M478 L504 K507	F469-E474 HydrophobicContact CD1-CB 3.99Å; F469-E474 HydrophobicContact CE1-CB 4.13Å; F469-E474 HydrophobicContact CE1-CG 4.37Å; G472-E474 PolarHBondContact O-N 2.96Å; E474-Q476 VanDerWaalsContact C-N 3.26Å; E474-Q476 PolarHBondContact O-N 3.41Å; E474-V477 PolarHBondContact O-N 3.01Å; E474-M478 HydrophobicContact CG-CG 4.18Å; E474-M478 WeakPolarHBondContact O-CB 2.76Å; E474-M478 VanDerWaalsContact O-CG 3.29Å; E474-M478 WeakPolarHBondContact O-CG 3.23Å; E474-M478 PolarHBondContact O-N 2.88Å; E474-L504 HydrophobicContact CG-CD1 3.91Å; E474-L504 WeakPolarHBondContact OE1-CD1 3.27Å; E474-K507 IonicContact OE1-NZ 3.74Å; E474-K507 PolarHBondContact OE1-NZ 3.32Å
475	P	89.2	Confident	86.5	Confident	81 Å²	81	32.7 Å²	32.7	53%	0.526	18%	0.181	S	C	.	.	H	α-helix	trans	-63.8	-31.4	179.2	-21.9	34.8	0	0	0	113	G472 K479	G472-P475 WeakPolarHBondContact O-CD 3.3Å; P475-K479 WeakPolarHBondContact O-CB 3.29Å; P475-K479 VanDerWaalsContact O-CG 3.27Å; P475-K479 WeakPolarHBondContact O-CG 3.26Å; P475-K479 PolarHBondContact O-N 3.31Å
476	Q	91.2	Very high	86.9	Confident	61 Å²	61	35.6 Å²	35.6	29%	0.285	20%	0.199	S	C	.	.	H	α-helix	trans	-75	-45.9	178.6	-59.8	-177	22.8	0	0	111.1	P437 I441 F473 E474 M478 K479 I480	P437-Q476 HydrophobicContact CB-CB 3.79Å; I441-Q476 HydrophobicContact CD1-CB 3.66Å; I441-Q476 HydrophobicContact CD1-CG 3.98Å; F473-Q476 WeakPolarHBondContact O-CA 3.3Å; F473-Q476 WeakPolarHBondContact O-CB 3.4Å; F473-Q476 PolarHBondContact O-N 2.92Å; E474-Q476 VanDerWaalsContact C-N 3.26Å; E474-Q476 PolarHBondContact O-N 3.41Å; Q476-M478 VanDerWaalsContact C-N 3.31Å; Q476-M478 PolarHBondContact O-N 3.47Å; Q476-K479 PolarHBondContact O-N 3.44Å; Q476-I480 WeakPolarHBondContact O-CG1 3.17Å; Q476-I480 PolarHBondContact O-N 3Å; Q476-I480 VanDerWaalsContact O-N 3.11Å
477	V	91.8	Very high	87.4	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-43.7	174.1	171.8	0	0	0	0	110.4	M385 P437 L462 M468 F473 E474 I480 I481 L504	M385-V477 HydrophobicContact CE-CG1 4.25Å; M385-V477 HydrophobicContact SD-CG2 4.32Å; P437-V477 HydrophobicContact CB-CG2 4.3Å; P437-V477 HydrophobicContact CG-CG2 3.76Å; L462-V477 HydrophobicContact CD2-CG1 4.18Å; M468-V477 HydrophobicContact SD-CG2 3.85Å; F473-V477 HydrophobicContact CB-CG2 4.34Å; F473-V477 WeakPolarHBondContact O-CG2 3.25Å; F473-V477 PolarHBondContact O-N 2.92Å; E474-V477 PolarHBondContact O-N 3.01Å; V477-I480 PolarHBondContact O-N 2.93Å; V477-I481 HydrophobicContact CG1-CD1 3.65Å; V477-I481 HydrophobicContact CG1-CG1 4.35Å; V477-I481 WeakPolarHBondContact O-CB 3.18Å; V477-I481 VanDerWaalsContact O-CG1 3.28Å; V477-I481 WeakPolarHBondContact O-CG1 3.42Å; V477-I481 PolarHBondContact O-N 3.21Å; V477-L504 HydrophobicContact CG1-CD2 4.46Å
478	M	90.9	Very high	88.2	Confident	63 Å²	63	39.5 Å²	39.5	31%	0.31	22%	0.218	S	C	.	.	H	α-helix	trans	-67	-39.9	177.5	-71.3	-67.4	-82	0	0	112.9	E474 Q476 I480 I481 A482 L504 K507 T508	E474-M478 HydrophobicContact CG-CG 4.18Å; E474-M478 WeakPolarHBondContact O-CB 2.76Å; E474-M478 VanDerWaalsContact O-CG 3.29Å; E474-M478 WeakPolarHBondContact O-CG 3.23Å; E474-M478 PolarHBondContact O-N 2.88Å; Q476-M478 VanDerWaalsContact C-N 3.31Å; Q476-M478 PolarHBondContact O-N 3.47Å; M478-I480 VanDerWaalsContact C-N 3.29Å; M478-I480 PolarHBondContact O-N 3.28Å; M478-I481 PolarHBondContact O-N 3.42Å; M478-A482 VanDerWaalsContact O-CB 3.29Å; M478-A482 WeakPolarHBondContact O-CB 3.43Å; M478-A482 PolarHBondContact O-N 3.3Å; M478-L504 HydrophobicContact CG-CD1 3.86Å; M478-L504 HydrophobicContact SD-CD1 3.55Å; M478-L504 VanDerWaalsContact SD-CD1 3.55Å; M478-K507 HydrophobicContact CE-CB 4.3Å; M478-K507 HydrophobicContact CE-CD 4.13Å; M478-T508 HydrophobicContact SD-CG2 3.75Å
479	K	91.3	Very high	89	Confident	117 Å²	117	39.2 Å²	39.2	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-60	-35.5	173	-80	176.4	178.4	-173.7	0	113	I441 P475 Q476 N483	I441-K479 HydrophobicContact CD1-CB 4.41Å; P475-K479 WeakPolarHBondContact O-CB 3.29Å; P475-K479 VanDerWaalsContact O-CG 3.27Å; P475-K479 WeakPolarHBondContact O-CG 3.26Å; P475-K479 PolarHBondContact O-N 3.31Å; Q476-K479 PolarHBondContact O-N 3.44Å; K479-N483 PolarHBondContact O-ND2 3.49Å
480	I	93.6	Very high	90	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.9	-48.2	174.5	-63.9	161.6	0	0	0	110.4	M383 M385 P437 M440 I441 L454 Q476 V477 M478 A482 N483 I484	M383-I480 HydrophobicContact SD-CG2 3.95Å; M385-I480 HydrophobicContact CE-CB 4.16Å; M385-I480 HydrophobicContact CE-CG2 3.75Å; M385-I480 HydrophobicContact SD-CB 4.22Å; M385-I480 HydrophobicContact SD-CD1 3.54Å; M385-I480 VanDerWaalsContact SD-CD1 3.54Å; M385-I480 HydrophobicContact SD-CG1 4.5Å; M385-I480 HydrophobicContact SD-CG2 4.02Å; P437-I480 HydrophobicContact CB-CD1 3.95Å; M440-I480 HydrophobicContact CB-CD1 3.9Å; M440-I480 HydrophobicContact CG-CD1 4.22Å; I441-I480 HydrophobicContact CG1-CD1 4.12Å; I441-I480 HydrophobicContact CG1-CG1 3.89Å; L454-I480 HydrophobicContact CD1-CG2 3.95Å; L454-I480 WeakPolarHBondContact CD1-O 3.43Å; Q476-I480 WeakPolarHBondContact O-CG1 3.17Å; Q476-I480 PolarHBondContact O-N 3Å; Q476-I480 VanDerWaalsContact O-N 3.11Å; V477-I480 PolarHBondContact O-N 2.93Å; M478-I480 VanDerWaalsContact C-N 3.29Å; M478-I480 PolarHBondContact O-N 3.28Å; I480-A482 VanDerWaalsContact C-N 3.3Å; I480-A482 PolarHBondContact O-N 2.99Å; I480-N483 PolarHBondContact O-N 3.49Å; I480-I484 HydrophobicContact CG2-CD1 4.28Å
481	I	93.8	Very high	91.2	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-36.5	-179	-72.8	176	0	0	0	112.2	M385 L460 L462 V477 M478 N483 I484 T508	M385-I481 HydrophobicContact CE-CG1 4.14Å; L460-I481 HydrophobicContact CD2-CD1 4.12Å; L460-I481 HydrophobicContact CD2-CG1 3.81Å; L462-I481 HydrophobicContact CD1-CD1 4.44Å; V477-I481 HydrophobicContact CG1-CD1 3.65Å; V477-I481 HydrophobicContact CG1-CG1 4.35Å; V477-I481 WeakPolarHBondContact O-CB 3.18Å; V477-I481 VanDerWaalsContact O-CG1 3.28Å; V477-I481 WeakPolarHBondContact O-CG1 3.42Å; V477-I481 PolarHBondContact O-N 3.21Å; M478-I481 PolarHBondContact O-N 3.42Å; I481-N483 PolarHBondContact O-N 3.3Å; I481-N483 VanDerWaalsContact O-N 3.11Å; I481-I484 PolarHBondContact O-N 2.97Å; I481-I484 VanDerWaalsContact O-N 3.07Å; I481-T508 HydrophobicContact CD1-CG2 3.74Å
482	A	92.1	Very high	92.2	Very high	39 Å²	39	32.8 Å²	32.8	32%	0.322	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-1.6	174.9	0	0	0	0	0	114.4	H257 M478 I480	H257-A482 PolarHBondContact NE2-O 2.97Å; M478-A482 VanDerWaalsContact O-CB 3.29Å; M478-A482 WeakPolarHBondContact O-CB 3.43Å; M478-A482 PolarHBondContact O-N 3.3Å; I480-A482 VanDerWaalsContact C-N 3.3Å; I480-A482 PolarHBondContact O-N 2.99Å
483	N	92.1	Very high	92.8	Very high	16 Å²	16	30.5 Å²	30.5	9%	0.086	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-2.7	172.4	-79.8	-71.3	0	0	0	113	P253 T255 L454 K479 I480 I481	P253-N483 PolarHBondContact O-OD1 3.37Å; P253-N483 VanDerWaalsContact O-OD1 3.07Å; T255-N483 VanDerWaalsContact CB-OD1 3.28Å; T255-N483 WeakPolarHBondContact CB-OD1 3.48Å; T255-N483 PolarHBondContact N-OD1 2.9Å; T255-N483 PolarHBondContact OG1-OD1 3.46Å; L454-N483 HydrophobicContact CD1-CB 3.74Å; K479-N483 PolarHBondContact O-ND2 3.49Å; I480-N483 PolarHBondContact O-N 3.49Å; I481-N483 PolarHBondContact O-N 3.3Å; I481-N483 VanDerWaalsContact O-N 3.11Å
484	I	94.5	Very high	93	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-97.5	134.5	175.7	-56.2	168	0	0	0	109.5	H257 L454 I457 L460 I480 I481 R488	H257-I484 PolarHBondContact CE1-O 2.8Å; L454-I484 HydrophobicContact CB-CG1 4.02Å; L454-I484 HydrophobicContact CD1-CD1 4.39Å; L454-I484 HydrophobicContact CD1-CG1 3.62Å; L454-I484 HydrophobicContact CG-CG1 4.39Å; I457-I484 HydrophobicContact CB-CG2 3.84Å; I457-I484 HydrophobicContact CD1-CD1 4.42Å; I457-I484 HydrophobicContact CD1-CG1 4.37Å; I457-I484 HydrophobicContact CG2-CD1 4.23Å; I457-I484 HydrophobicContact CG2-CG1 4.47Å; I457-I484 HydrophobicContact CG2-CG2 3.76Å; I457-I484 WeakPolarHBondContact O-CG2 3.25Å; L460-I484 HydrophobicContact CD1-CD1 3.99Å; L460-I484 HydrophobicContact CD2-CD1 3.85Å; L460-I484 HydrophobicContact CG-CD1 4.42Å; I480-I484 HydrophobicContact CG2-CD1 4.28Å; I481-I484 PolarHBondContact O-N 2.97Å; I481-I484 VanDerWaalsContact O-N 3.07Å; I484-R488 HydrophobicContact CG2-CB 4.16Å; I484-R488 HydrophobicContact CG2-CG 4.4Å; I484-R488 PolarHBondContact O-NH1 3.49Å; I484-R488 VanDerWaalsContact O-NH1 3.09Å
485	R	94.5	Very high	92.7	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.038	15%	0.147	C	C	.	.			trans	-43.2	137	178.1	65.4	-169.7	-73.1	171.1	-1.1	113.1	Y262 R263 I457 D487 R488	Y262-R485 HydrophobicContact CD1-CB 3.78Å; Y262-R485 HydrophobicContact CD2-CB 4.4Å; Y262-R485 HydrophobicContact CE1-CB 3.58Å; Y262-R485 HydrophobicContact CE2-CB 4.21Å; Y262-R485 HydrophobicContact CG-CB 4.21Å; R263-R485 PolarHBondContact O-NH1 2.97Å; R263-R485 PolarHBondContact O-NH2 2.86Å; I457-R485 WeakPolarHBondContact O-CD 3.39Å; I457-R485 VanDerWaalsContact O-CG 3.31Å; I457-R485 WeakPolarHBondContact O-CG 3.43Å; R485-D487 WeakPolarHBondContact CB-OD1 3.08Å; R485-D487 WeakPolarHBondContact CG-OD1 3.48Å; R485-D487 IonicContact CZ-OD1 3.4Å; R485-D487 IonicContact CZ-OD2 2.86Å; R485-D487 IonicContact NE-OD1 2.61Å; R485-D487 PolarHBondContact NE-OD1 3.36Å; R485-D487 IonicContact NE-OD2 3.29Å; R485-D487 PolarHBondContact NE-OD2 3.24Å; R485-D487 IonicContact NH2-OD1 2.71Å; R485-D487 IonicContact NH2-OD2 3.09Å; R485-D487 PolarHBondContact NH2-OD2 3.26Å; R485-D487 PolarHBondContact O-N 3.49Å; R485-R488 HydrophobicContact CG-CB 4.35Å; R485-R488 WeakPolarHBondContact O-CB 3.38Å; R485-R488 WeakPolarHBondContact O-CG 3.27Å; R485-R488 PolarHBondContact O-N 2.91Å; R485-R488 PolarHBondContact O-NH1 3.42Å
486	P	92.8	Very high	92.1	Very high	62 Å²	62	23 Å²	23	40%	0.403	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.8	-171.2	29.2	-36.4	0	0	0	113.4	Q510	P486-Q510 PolarHBondContact O-NE2 3.47Å
487	D	94.3	Very high	91.7	Very high	61 Å²	61	20.9 Å²	20.9	33%	0.326	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	9.5	179.1	68.1	-37	0	0	0	113.5	F265 K267 R485	F265-D487 WeakPolarHBondContact CE1-OD2 3.41Å; F265-D487 WeakPolarHBondContact CZ-O 3.43Å; K267-D487 WeakPolarHBondContact CE-O 3.22Å; K267-D487 PolarHBondContact NZ-O 3.03Å; R485-D487 WeakPolarHBondContact CB-OD1 3.08Å; R485-D487 WeakPolarHBondContact CG-OD1 3.48Å; R485-D487 IonicContact CZ-OD1 3.4Å; R485-D487 IonicContact CZ-OD2 2.86Å; R485-D487 IonicContact NE-OD1 2.61Å; R485-D487 PolarHBondContact NE-OD1 3.36Å; R485-D487 IonicContact NE-OD2 3.29Å; R485-D487 PolarHBondContact NE-OD2 3.24Å; R485-D487 IonicContact NH2-OD1 2.71Å; R485-D487 IonicContact NH2-OD2 3.09Å; R485-D487 PolarHBondContact NH2-OD2 3.26Å; R485-D487 PolarHBondContact O-N 3.49Å
488	R	95.7	Very high	90.9	Very high	22 Å²	22	21.9 Å²	21.9	8%	0.083	12%	0.119	C	C	.	.	S	Bend	trans	-51.5	166.5	168.2	66.4	-178	177.7	-93.6	-8.9	113	K267 I484 R485 T490 T508	K267-R488 PolarHBondContact NZ-O 2.99Å; I484-R488 HydrophobicContact CG2-CB 4.16Å; I484-R488 HydrophobicContact CG2-CG 4.4Å; I484-R488 PolarHBondContact O-NH1 3.49Å; I484-R488 VanDerWaalsContact O-NH1 3.09Å; R485-R488 HydrophobicContact CG-CB 4.35Å; R485-R488 WeakPolarHBondContact O-CB 3.38Å; R485-R488 WeakPolarHBondContact O-CG 3.27Å; R485-R488 PolarHBondContact O-N 2.91Å; R485-R488 PolarHBondContact O-NH1 3.42Å; R488-T490 WeakPolarHBondContact CD-OG1 3.49Å; R488-T490 PolarHBondContact NE-OG1 3.13Å; R488-T508 PolarHBondContact NH2-O 3.49Å
489	Q	97.2	Very high	90.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.5	158.8	-174.9	176.8	15.2	0	0	108.9	I340 R344 D345 T458 L460 I491	I340-Q489 PolarHBondContact O-NE2 2.91Å; R344-Q489 PolarHBondContact O-NE2 2.69Å; D345-Q489 WeakPolarHBondContact OD1-CA 3.32Å; T458-Q489 PolarHBondContact O-N 3.2Å; L460-Q489 PolarHBondContact N-O 3.37Å; Q489-I491 HydrophobicContact CG-CD1 4.4Å; Q489-I491 HydrophobicContact CG-CG1 4.34Å
490	T	97.2	Very high	89.4	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.3	179.7	-48.1	0	0	0	0	110.7	D345 V346 L460 R488 L509	D345-T490 WeakPolarHBondContact CA-O 3.1Å; D345-T490 VanDerWaalsContact CB-O 3.26Å; D345-T490 WeakPolarHBondContact CB-O 3.17Å; D345-T490 VanDerWaalsContact CG-O 3.27Å; D345-T490 PolarHBondContact OD1-N 3.49Å; V346-T490 PolarHBondContact N-O 3.36Å; L460-T490 HydrophobicContact CB-CG2 4.47Å; L460-T490 HydrophobicContact CD2-CG2 4.01Å; L460-T490 HydrophobicContact CG-CG2 4.34Å; L460-T490 CarbonylContact O-C 3.56Å; L460-T490 WeakPolarHBondContact O-CA 3.49Å; R488-T490 WeakPolarHBondContact CD-OG1 3.49Å; R488-T490 PolarHBondContact NE-OG1 3.13Å; T490-L509 HydrophobicContact CG2-CD2 3.78Å; T490-L509 WeakPolarHBondContact O-CD2 3.24Å
491	I	97.1	Very high	88.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.2	-171.9	-61.1	159.8	0	0	0	108.1	I340 V346 Y459 L460 V461 L462 Q489 F493	I340-I491 HydrophobicContact CD1-CD1 4.21Å; I340-I491 HydrophobicContact CD1-CG2 4.2Å; I340-I491 HydrophobicContact CG1-CD1 4.12Å; I340-I491 HydrophobicContact CG1-CG1 4.4Å; I340-I491 HydrophobicContact CG2-CD1 3.6Å; V346-I491 CarbonylContact O-C 3.51Å; V346-I491 WeakPolarHBondContact O-CA 3.41Å; Y459-I491 HydrophobicContact CD1-CD1 4.49Å; Y459-I491 HydrophobicContact CD2-CD1 4.13Å; Y459-I491 HydrophobicContact CE1-CD1 3.84Å; Y459-I491 HydrophobicContact CE2-CD1 3.41Å; Y459-I491 VanDerWaalsContact CE2-CD1 3.41Å; Y459-I491 WeakPolarHBondContact OH-CD1 3.41Å; L460-I491 PolarHBondContact O-N 2.75Å; V461-I491 CarbonylContact C-O 3.57Å; V461-I491 VanDerWaalsContact CA-O 3.31Å; V461-I491 WeakPolarHBondContact CA-O 3.26Å; V461-I491 HydrophobicContact CG2-CB 4.44Å; L462-I491 PolarHBondContact N-O 2.68Å; Q489-I491 HydrophobicContact CG-CD1 4.4Å; Q489-I491 HydrophobicContact CG-CG1 4.34Å; I491-F493 HydrophobicContact CG2-CD2 3.67Å; I491-F493 HydrophobicContact CG2-CE2 3.48Å; I491-F493 VanDerWaalsContact CG2-CE2 3.48Å
492	M	95.2	Very high	88.3	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.7	-174.6	-175.5	178.5	-78.1	0	0	109	V346 I347 G348 L462 A465 F497 M501 L504 A505 L509	V346-M492 PolarHBondContact O-N 3.1Å; I347-M492 CarbonylContact C-O 3.56Å; I347-M492 WeakPolarHBondContact CA-O 3.34Å; I347-M492 HydrophobicContact CG1-CB 4.47Å; G348-M492 PolarHBondContact N-O 3.26Å; L462-M492 HydrophobicContact CD1-CE 3.8Å; L462-M492 CarbonylContact O-C 3.53Å; L462-M492 WeakPolarHBondContact O-CA 3.49Å; A465-M492 HydrophobicContact CB-CG 3.79Å; M492-F497 HydrophobicContact SD-CE2 4.16Å; M492-M501 HydrophobicContact CG-CE 3.6Å; M492-M501 HydrophobicContact SD-CE 3.44Å; M492-M501 WeakPolarHBondContact SD-CE 3.42Å; M492-M501 HydrophobicContact SD-CG 4.29Å; M492-L504 HydrophobicContact CE-CD2 4.46Å; M492-A505 HydrophobicContact CE-CB 4.25Å; M492-A505 HydrophobicContact SD-CB 4.07Å; M492-L509 HydrophobicContact CB-CD1 4.39Å; M492-L509 HydrophobicContact CE-CD1 4.21Å; M492-L509 HydrophobicContact SD-CD1 4.33Å
493	F	93.4	Very high	87.7	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.4	176.7	-86.3	-78.7	0	0	0	110.9	I332 I340 G348 K356 A359 F360 L462 D463 E464 A465 I491	I332-F493 HydrophobicContact CD1-CE1 4.1Å; I332-F493 HydrophobicContact CG1-CE1 3.78Å; I340-F493 HydrophobicContact CD1-CE2 4.22Å; I340-F493 HydrophobicContact CD1-CZ 4.41Å; G348-F493 WeakPolarHBondContact O-CA 3.43Å; G348-F493 WeakPolarHBondContact O-CD1 3.43Å; K356-F493 HydrophobicContact CB-CD1 3.92Å; K356-F493 HydrophobicContact CB-CE1 4.38Å; K356-F493 HydrophobicContact CB-CG 4.39Å; K356-F493 HydrophobicContact CD-CB 4.47Å; K356-F493 HydrophobicContact CD-CD1 3.88Å; K356-F493 HydrophobicContact CG-CD1 3.85Å; K356-F493 HydrophobicContact CG-CE1 4.3Å; A359-F493 HydrophobicContact CB-CE1 4.24Å; A359-F493 HydrophobicContact CB-CZ 3.83Å; F360-F493 HydrophobicContact CB-CD2 4.2Å; F360-F493 HydrophobicContact CB-CE2 3.88Å; F360-F493 AromaticContact CD1-CD2 3.59Å; F360-F493 HydrophobicContact CD1-CD2 3.59Å; F360-F493 AromaticContact CD1-CE2 3.97Å; F360-F493 HydrophobicContact CD1-CE2 3.97Å; F360-F493 HydrophobicContact CD1-CG 4.24Å; F360-F493 HydrophobicContact CE1-CD2 4.43Å; F360-F493 HydrophobicContact CG-CD2 4.36Å; F360-F493 HydrophobicContact CG-CE2 4.44Å; L462-F493 PolarHBondContact O-N 3.38Å; D463-F493 WeakPolarHBondContact OD1-CB 3.42Å; E464-F493 PolarHBondContact N-O 3.45Å; E464-F493 VanDerWaalsContact N-O 3.13Å; A465-F493 PolarHBondContact N-O 3.14Å; I491-F493 HydrophobicContact CG2-CD2 3.67Å; I491-F493 HydrophobicContact CG2-CE2 3.48Å; I491-F493 VanDerWaalsContact CG2-CE2 3.48Å
494	S	88.8	Confident	87.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	165.2	-169.9	-151.2	0	0	0	0	111.9	G348 A350 K356 D466 T496 M501	G348-S494 PolarHBondContact O-N 3.37Å; A350-S494 PolarHBondContact N-O 3.04Å; K356-S494 PolarHBondContact NZ-O 2.86Å; D466-S494 WeakPolarHBondContact CB-OG 3.31Å; D466-S494 PolarHBondContact OD2-OG 2.95Å; S494-T496 WeakPolarHBondContact CB-O 3.31Å; S494-T496 PolarHBondContact OG-O 3.02Å; S494-M501 WeakPolarHBondContact OG-CE 3.45Å
495	A	80.4	Confident	86.8	Confident	13 Å²	13	27 Å²	27	11%	0.107	14%	0.136	C	C	.	.	S	Bend	trans	-103	-35.7	165.1	0	0	0	0	0	111.2	D466 H639	D466-A495 PolarHBondContact OD2-N 3.35Å; A495-H639 WeakPolarHBondContact CB-NE2 3.18Å
496	T	76.2	Confident	86.4	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	17%	0.168	C	C	.	.			trans	-109.3	167.8	174	78.7	0	0	0	0	110.1	D466 S494 S521 E635	D466-T496 WeakPolarHBondContact CB-OG1 3.47Å; D466-T496 PolarHBondContact OD2-N 2.79Å; D466-T496 PolarHBondContact OD2-OG1 3.12Å; D466-T496 VanDerWaalsContact OD2-OG1 3.09Å; S494-T496 WeakPolarHBondContact CB-O 3.31Å; S494-T496 PolarHBondContact OG-O 3.02Å; T496-S521 WeakPolarHBondContact CB-OG 3.4Å; T496-E635 HydrophobicContact CG2-CB 4.02Å; T496-E635 HydrophobicContact CG2-CG 3.71Å
497	F	82.8	Confident	86.1	Confident	16 Å²	16	38.5 Å²	38.5	7%	0.07	18%	0.175	C	C	.	.			trans	-147.7	72.1	176	-159.6	-117.7	0	0	0	110.6	I347 I349 M492 M501 E502 A505	I347-F497 HydrophobicContact CD1-CZ 3.96Å; I347-F497 HydrophobicContact CG2-CD2 4.09Å; I347-F497 HydrophobicContact CG2-CE1 4.5Å; I347-F497 HydrophobicContact CG2-CE2 3.56Å; I347-F497 HydrophobicContact CG2-CZ 3.81Å; I349-F497 HydrophobicContact CD1-CB 3.54Å; I349-F497 HydrophobicContact CD1-CD1 3.78Å; I349-F497 HydrophobicContact CD1-CD2 4.1Å; I349-F497 HydrophobicContact CD1-CE1 4.49Å; I349-F497 HydrophobicContact CD1-CG 3.55Å; I349-F497 HydrophobicContact CG1-CB 4Å; I349-F497 HydrophobicContact CG1-CD2 4.29Å; I349-F497 HydrophobicContact CG1-CG 4.14Å; M492-F497 HydrophobicContact SD-CE2 4.16Å; F497-M501 HydrophobicContact CD2-CB 4.47Å; F497-M501 HydrophobicContact CD2-CE 3.91Å; F497-M501 HydrophobicContact CD2-CG 3.73Å; F497-M501 HydrophobicContact CD2-SD 3.57Å; F497-M501 VanDerWaalsContact CD2-SD 3.57Å; F497-M501 HydrophobicContact CE2-CE 4.06Å; F497-M501 HydrophobicContact CE2-CG 3.7Å; F497-M501 HydrophobicContact CE2-SD 4.06Å; F497-E502 HydrophobicContact CD1-CG 4.02Å; F497-E502 HydrophobicContact CE1-CB 4.49Å; F497-E502 HydrophobicContact CE1-CG 3.62Å; F497-E502 HydrophobicContact CZ-CG 4.21Å; F497-A505 HydrophobicContact CE2-CB 4.44Å; F497-A505 HydrophobicContact CZ-CB 4.05Å
498	P	75.2	Confident	85.8	Confident	24 Å²	24	35.8 Å²	35.8	16%	0.156	16%	0.161	C	C	.	.			trans	-73.3	164.8	-178.5	32.4	-37.3	0	0	0	112	Q500 M501 E502	P498-Q500 PolarHBondContact O-N 3.47Å; P498-Q500 VanDerWaalsContact O-N 3.12Å; P498-M501 HydrophobicContact CG-CB 3.96Å; P498-M501 WeakPolarHBondContact O-CB 3.28Å; P498-M501 PolarHBondContact O-N 3.46Å; P498-E502 PolarHBondContact O-N 3.25Å; P498-E502 VanDerWaalsContact O-N 3.08Å
499	R	76.4	Confident	85.7	Confident	204 Å²	204	35.4 Å²	35.4	77%	0.77	16%	0.16	S	C	*	.	H	α-helix	trans	-59	-29.6	-172.8	-71	-177.2	172.2	-163.9	-2.5	113.8	E502 A503	R499-E502 WeakPolarHBondContact O-CB 3.38Å; R499-E502 PolarHBondContact O-N 3.33Å; R499-A503 PolarHBondContact O-N 2.81Å
500	Q	73.9	Confident	85.4	Confident	60 Å²	60	40.6 Å²	40.6	28%	0.28	18%	0.184	S	C	.	.	H	α-helix	trans	-74.9	-38.2	-178.5	-57.4	71	17.7	0	0	109.8	P498 A503 L504 G707 Y708	P498-Q500 PolarHBondContact O-N 3.47Å; P498-Q500 VanDerWaalsContact O-N 3.12Å; Q500-A503 VanDerWaalsContact O-CB 3.31Å; Q500-A503 WeakPolarHBondContact O-CB 3.25Å; Q500-A503 PolarHBondContact O-N 3.47Å; Q500-A503 VanDerWaalsContact O-N 3.08Å; Q500-L504 PolarHBondContact O-N 3.36Å; Q500-G707 PolarHBondContact NE2-O 3.35Å; Q500-Y708 HydrophobicContact CG-CG 4.44Å; Q500-Y708 PolarHBondContact NE2-O 3.11Å
501	M	81.4	Confident	85.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-35.4	169.8	-178.6	170.5	-170.9	0	0	112	A465 D466 F469 M492 S494 F497 P498 A503 L504 A505	A465-M501 HydrophobicContact CB-CE 3.52Å; D466-M501 HydrophobicContact CB-SD 3.8Å; F469-M501 HydrophobicContact CD2-CB 4.13Å; F469-M501 HydrophobicContact CD2-CG 4.36Å; F469-M501 HydrophobicContact CE2-CB 3.86Å; F469-M501 HydrophobicContact CE2-CG 3.71Å; F469-M501 HydrophobicContact CE2-SD 4.42Å; F469-M501 HydrophobicContact CZ-CG 4.49Å; M492-M501 HydrophobicContact CG-CE 3.6Å; M492-M501 HydrophobicContact SD-CE 3.44Å; M492-M501 WeakPolarHBondContact SD-CE 3.42Å; M492-M501 HydrophobicContact SD-CG 4.29Å; S494-M501 WeakPolarHBondContact OG-CE 3.45Å; F497-M501 HydrophobicContact CD2-CB 4.47Å; F497-M501 HydrophobicContact CD2-CE 3.91Å; F497-M501 HydrophobicContact CD2-CG 3.73Å; F497-M501 HydrophobicContact CD2-SD 3.57Å; F497-M501 VanDerWaalsContact CD2-SD 3.57Å; F497-M501 HydrophobicContact CE2-CE 4.06Å; F497-M501 HydrophobicContact CE2-CG 3.7Å; F497-M501 HydrophobicContact CE2-SD 4.06Å; P498-M501 HydrophobicContact CG-CB 3.96Å; P498-M501 WeakPolarHBondContact O-CB 3.28Å; P498-M501 PolarHBondContact O-N 3.46Å; M501-A503 PolarHBondContact O-N 2.78Å; M501-L504 PolarHBondContact O-N 2.97Å; M501-A505 WeakPolarHBondContact O-CB 3.34Å; M501-A505 PolarHBondContact O-N 2.86Å
502	E	83	Confident	85	Confident	35 Å²	35	51 Å²	51	16%	0.164	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-34.6	169.5	-60.8	-151.5	168.3	0	0	112	F497 P498 R499 A505 R506	F497-E502 HydrophobicContact CD1-CG 4.02Å; F497-E502 HydrophobicContact CE1-CB 4.49Å; F497-E502 HydrophobicContact CE1-CG 3.62Å; F497-E502 HydrophobicContact CZ-CG 4.21Å; P498-E502 PolarHBondContact O-N 3.25Å; P498-E502 VanDerWaalsContact O-N 3.08Å; R499-E502 WeakPolarHBondContact O-CB 3.38Å; R499-E502 PolarHBondContact O-N 3.33Å; E502-A505 PolarHBondContact O-N 3.19Å; E502-R506 VanDerWaalsContact O-CG 3.24Å; E502-R506 WeakPolarHBondContact O-CG 3.37Å; E502-R506 PolarHBondContact O-N 3.41Å; E502-R506 IonicContact OE2-CZ 3.99Å; E502-R506 IonicContact OE2-NE 3.54Å; E502-R506 IonicContact OE2-NH2 2.72Å; E502-R506 PolarHBondContact OE2-NH2 3.02Å
503	A	80.7	Confident	85	Confident	43 Å²	43	51 Å²	51	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-67.7	-45.5	-179.8	0	0	0	0	0	111.8	R499 Q500 M501 R506 K507	R499-A503 PolarHBondContact O-N 2.81Å; Q500-A503 VanDerWaalsContact O-CB 3.31Å; Q500-A503 WeakPolarHBondContact O-CB 3.25Å; Q500-A503 PolarHBondContact O-N 3.47Å; Q500-A503 VanDerWaalsContact O-N 3.08Å; M501-A503 PolarHBondContact O-N 2.78Å; A503-R506 PolarHBondContact O-N 2.97Å; A503-K507 WeakPolarHBondContact O-CG 3.23Å; A503-K507 PolarHBondContact O-N 3.49Å; A503-K507 VanDerWaalsContact O-N 3.13Å
504	L	79.8	Confident	85.1	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-38.7	172.6	-165.6	81.8	0	0	0	111.7	F469 E474 V477 M478 M492 Q500 M501 R506 K507 T508	F469-L504 HydrophobicContact CE1-CB 3.48Å; F469-L504 VanDerWaalsContact CE1-CB 3.48Å; F469-L504 HydrophobicContact CE1-CD1 4.25Å; F469-L504 HydrophobicContact CE1-CD2 3.65Å; F469-L504 HydrophobicContact CE1-CG 3.92Å; F469-L504 HydrophobicContact CZ-CB 3.36Å; F469-L504 HydrophobicContact CZ-CD2 3.36Å; F469-L504 HydrophobicContact CZ-CG 3.86Å; E474-L504 HydrophobicContact CG-CD1 3.91Å; E474-L504 WeakPolarHBondContact OE1-CD1 3.27Å; V477-L504 HydrophobicContact CG1-CD2 4.46Å; M478-L504 HydrophobicContact CG-CD1 3.86Å; M478-L504 HydrophobicContact SD-CD1 3.55Å; M478-L504 VanDerWaalsContact SD-CD1 3.55Å; M492-L504 HydrophobicContact CE-CD2 4.46Å; Q500-L504 PolarHBondContact O-N 3.36Å; M501-L504 PolarHBondContact O-N 2.97Å; L504-R506 PolarHBondContact O-N 3.41Å; L504-K507 HydrophobicContact CD1-CD 4.23Å; L504-K507 CarbonylContact O-C 3.56Å; L504-K507 WeakPolarHBondContact O-CA 3.22Å; L504-K507 WeakPolarHBondContact O-CB 3.43Å; L504-K507 PolarHBondContact O-N 2.82Å; L504-T508 HydrophobicContact CD1-CG2 4Å; L504-T508 HydrophobicContact CD2-CG2 4.09Å; L504-T508 HydrophobicContact CG-CG2 3.73Å; L504-T508 WeakPolarHBondContact O-CB 3.28Å; L504-T508 PolarHBondContact O-N 2.8Å; L504-T508 PolarHBondContact O-OG1 3.37Å
505	A	86.8	Confident	85.4	Confident	7 Å²	7	51.8 Å²	51.8	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-54.7	-42.4	176.5	0	0	0	0	0	111	I347 M492 F497 M501 E502 T508 L509	I347-A505 HydrophobicContact CD1-CB 4.22Å; M492-A505 HydrophobicContact CE-CB 4.25Å; M492-A505 HydrophobicContact SD-CB 4.07Å; F497-A505 HydrophobicContact CE2-CB 4.44Å; F497-A505 HydrophobicContact CZ-CB 4.05Å; M501-A505 WeakPolarHBondContact O-CB 3.34Å; M501-A505 PolarHBondContact O-N 2.86Å; E502-A505 PolarHBondContact O-N 3.19Å; A505-T508 PolarHBondContact O-N 3.03Å; A505-L509 HydrophobicContact CB-CD1 3.8Å; A505-L509 WeakPolarHBondContact O-CB 3.4Å; A505-L509 PolarHBondContact O-N 2.92Å
506	R	86.7	Confident	85.9	Confident	188 Å²	188	51.3 Å²	51.3	71%	0.709	23%	0.233	S	C	*	.	H	α-helix	trans	-67.8	-32.1	173.5	-66.1	167.5	-159.9	-156.9	8.5	113.7	E502 A503 L504	E502-R506 VanDerWaalsContact O-CG 3.24Å; E502-R506 WeakPolarHBondContact O-CG 3.37Å; E502-R506 PolarHBondContact O-N 3.41Å; E502-R506 IonicContact OE2-CZ 3.99Å; E502-R506 IonicContact OE2-NE 3.54Å; E502-R506 IonicContact OE2-NH2 2.72Å; E502-R506 PolarHBondContact OE2-NH2 3.02Å; A503-R506 PolarHBondContact O-N 2.97Å; L504-R506 PolarHBondContact O-N 3.41Å
507	K	86.4	Confident	86.6	Confident	127 Å²	127	51.6 Å²	51.6	55%	0.552	24%	0.235	S	C	*	.	H	α-helix	trans	-74.2	-29.1	175.2	-65.5	173.9	-162.7	173.9	0	113.6	E474 M478 A503 L504	E474-K507 IonicContact OE1-NZ 3.74Å; E474-K507 PolarHBondContact OE1-NZ 3.32Å; M478-K507 HydrophobicContact CE-CB 4.3Å; M478-K507 HydrophobicContact CE-CD 4.13Å; A503-K507 WeakPolarHBondContact O-CG 3.23Å; A503-K507 PolarHBondContact O-N 3.49Å; A503-K507 VanDerWaalsContact O-N 3.13Å; L504-K507 HydrophobicContact CD1-CD 4.23Å; L504-K507 CarbonylContact O-C 3.56Å; L504-K507 WeakPolarHBondContact O-CA 3.22Å; L504-K507 WeakPolarHBondContact O-CB 3.43Å; L504-K507 PolarHBondContact O-N 2.82Å
508	T	88.7	Confident	86.6	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-113.8	-25.9	-164.2	53.9	0	0	0	0	115.7	M478 I481 R488 L504 A505	M478-T508 HydrophobicContact SD-CG2 3.75Å; I481-T508 HydrophobicContact CD1-CG2 3.74Å; R488-T508 PolarHBondContact NH2-O 3.49Å; L504-T508 HydrophobicContact CD1-CG2 4Å; L504-T508 HydrophobicContact CD2-CG2 4.09Å; L504-T508 HydrophobicContact CG-CG2 3.73Å; L504-T508 WeakPolarHBondContact O-CB 3.28Å; L504-T508 PolarHBondContact O-N 2.8Å; L504-T508 PolarHBondContact O-OG1 3.37Å; A505-T508 PolarHBondContact O-N 3.03Å
509	L	91.9	Very high	86.5	Confident	13 Å²	13	55.4 Å²	55.4	7%	0.068	26%	0.259	C	S	.	.			trans	-107.4	143.7	-175.5	-60.1	154.2	0	0	0	112.2	D345 I347 T490 M492 A505 P512	D345-L509 HydrophobicContact CB-CB 4.28Å; D345-L509 HydrophobicContact CB-CD2 3.87Å; D345-L509 WeakPolarHBondContact OD2-CA 3.45Å; I347-L509 HydrophobicContact CD1-CD1 3.76Å; I347-L509 HydrophobicContact CG1-CD1 3.48Å; I347-L509 VanDerWaalsContact CG1-CD1 3.48Å; T490-L509 HydrophobicContact CG2-CD2 3.78Å; T490-L509 WeakPolarHBondContact O-CD2 3.24Å; M492-L509 HydrophobicContact CB-CD1 4.39Å; M492-L509 HydrophobicContact CE-CD1 4.21Å; M492-L509 HydrophobicContact SD-CD1 4.33Å; A505-L509 HydrophobicContact CB-CD1 3.8Å; A505-L509 WeakPolarHBondContact O-CB 3.4Å; A505-L509 PolarHBondContact O-N 2.92Å; L509-P512 HydrophobicContact CB-CB 4.08Å; L509-P512 HydrophobicContact CB-CG 3.9Å; L509-P512 HydrophobicContact CD1-CB 4.31Å; L509-P512 HydrophobicContact CD1-CG 4.24Å
510	Q	91.8	Very high	86.2	Confident	110 Å²	110	50.2 Å²	50.2	51%	0.514	24%	0.24	S	C	.	.	S	Bend	trans	-104.9	106.2	178.9	-66.6	178	18.8	0	0	111.8	D345 P486	D345-Q510 PolarHBondContact OD2-N 3.32Å; P486-Q510 PolarHBondContact O-NE2 3.47Å
511	K	91.7	Very high	86	Confident	183 Å²	183	48.2 Å²	48.2	80%	0.796	23%	0.232	S	C	*	.	S	Bend	trans	48.2	53.6	179	-60.6	172	-178.4	169.3	0	112.5	R344	R344-K511 PolarHBondContact NH2-O 3.45Å
512	P	94.5	Very high	85.7	Confident	37 Å²	37	49.8 Å²	49.8	24%	0.24	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65.8	164	-171.3	28.1	-36.2	0	0	0	113.6	D345 I347 L509	D345-P512 HydrophobicContact CB-CB 4.07Å; D345-P512 CarbonylContact O-C 3.56Å; D345-P512 WeakPolarHBondContact O-CA 3.42Å; I347-P512 HydrophobicContact CD1-CB 4.09Å; I347-P512 HydrophobicContact CD1-CG 3.84Å; I347-P512 HydrophobicContact CG1-CB 4.22Å; I347-P512 HydrophobicContact CG1-CG 4.47Å; L509-P512 HydrophobicContact CB-CB 4.08Å; L509-P512 HydrophobicContact CB-CG 3.9Å; L509-P512 HydrophobicContact CD1-CB 4.31Å; L509-P512 HydrophobicContact CD1-CG 4.24Å
513	I	95.3	Very high	85.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.2	163.6	-61.5	167.3	0	0	0	107.7	V296 C301 A339 R344 D345 V346 I347 V515	V296-I513 HydrophobicContact CG1-CG2 4.23Å; C301-I513 HydrophobicContact CB-CD1 4.18Å; C301-I513 HydrophobicContact CB-CG2 3.93Å; C301-I513 VanDerWaalsContact SG-CG2 3.6Å; A339-I513 HydrophobicContact CB-CD1 3.98Å; R344-I513 HydrophobicContact CB-CD1 3.93Å; R344-I513 HydrophobicContact CG-CD1 4.02Å; D345-I513 PolarHBondContact O-N 3.45Å; V346-I513 CarbonylContact C-O 3.51Å; V346-I513 WeakPolarHBondContact CA-O 3.44Å; V346-I513 HydrophobicContact CG2-CB 4.49Å; I347-I513 PolarHBondContact N-O 3.05Å; I513-V515 HydrophobicContact CG2-CG2 3.97Å
514	E	94.7	Very high	85.2	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.075	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.2	172.3	-172	-158.7	133.7	0	0	109.4	V296 R297 I347 I349 T516 R520	V296-E514 WeakPolarHBondContact CA-O 3.24Å; R297-E514 HydrophobicContact CB-CB 4.19Å; R297-E514 WeakPolarHBondContact CD-OE2 3.35Å; R297-E514 IonicContact CZ-OE2 3.56Å; R297-E514 PolarHBondContact N-O 3.46Å; R297-E514 IonicContact NE-OE2 3.46Å; R297-E514 IonicContact NH1-OE2 2.75Å; R297-E514 PolarHBondContact NH1-OE2 3.26Å; R297-E514 PolarHBondContact O-N 2.87Å; I347-E514 HydrophobicContact CB-CB 4.4Å; I347-E514 HydrophobicContact CB-CG 4.31Å; I347-E514 HydrophobicContact CG2-CG 4.31Å; I347-E514 WeakPolarHBondContact O-CA 3.21Å; I349-E514 HydrophobicContact CD1-CG 4.12Å; E514-T516 PolarHBondContact OE1-OG1 3.04Å; E514-R520 IonicContact OE1-CZ 3.21Å; E514-R520 IonicContact OE1-NH2 2.69Å; E514-R520 PolarHBondContact OE1-NH2 2.97Å; E514-R520 IonicContact OE2-NH2 3.77Å
515	V	94.5	Very high	85.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	108.3	178.7	-178.4	0	0	0	0	107.8	I294 I332 Q335 I347 I349 I513	I294-V515 HydrophobicContact CG2-CG1 3.79Å; I332-V515 HydrophobicContact CD1-CB 4.49Å; I332-V515 HydrophobicContact CD1-CG1 3.99Å; Q335-V515 HydrophobicContact CB-CG1 3.93Å; Q335-V515 HydrophobicContact CG-CG1 3.69Å; Q335-V515 HydrophobicContact CG-CG2 3.98Å; I347-V515 PolarHBondContact O-N 3.47Å; I349-V515 PolarHBondContact N-O 2.91Å; I513-V515 HydrophobicContact CG2-CG2 3.97Å
516	T	92.4	Very high	85.1	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.8	172	-59.9	0	0	0	0	109.1	I294 R295 I349 E514 R520	I294-T516 CarbonylContact C-O 3.56Å; I294-T516 WeakPolarHBondContact CA-O 3.38Å; R295-T516 PolarHBondContact N-O 3.05Å; R295-T516 PolarHBondContact O-N 3.4Å; I349-T516 HydrophobicContact CB-CG2 4.46Å; I349-T516 HydrophobicContact CG2-CG2 4.37Å; I349-T516 WeakPolarHBondContact O-CA 3.43Å; E514-T516 PolarHBondContact OE1-OG1 3.04Å; T516-R520 HydrophobicContact CG2-CG 3.92Å
517	V	89.8	Confident	85.2	Confident	10 Å²	10	51.5 Å²	51.5	6%	0.061	25%	0.247	C	C	.	.			trans	-107.7	127.4	171.2	178.2	0	0	0	0	108.9	E292 I294 P331 I332 I349 A350	E292-V517 HydrophobicContact CB-CG1 4.01Å; I294-V517 HydrophobicContact CD1-CG2 4.45Å; I294-V517 HydrophobicContact CG1-CG2 4.19Å; I294-V517 HydrophobicContact CG2-CG2 4.38Å; P331-V517 HydrophobicContact CB-CG1 3.72Å; P331-V517 HydrophobicContact CB-CG2 4.34Å; I332-V517 HydrophobicContact CB-CG2 3.91Å; I332-V517 HydrophobicContact CD1-CG2 3.89Å; I332-V517 HydrophobicContact CG1-CG2 4.47Å; I349-V517 PolarHBondContact O-N 3.18Å; A350-V517 HydrophobicContact CB-CB 4.05Å; A350-V517 HydrophobicContact CB-CG2 4.43Å
518	G	82.9	Confident	85.4	Confident	20 Å²	20	49.4 Å²	49.4	21%	0.206	24%	0.239	C	C	.	.	S	Bend	trans	67.2	-156.2	-173.7	0	0	0	0	0	113	E292 R295	E292-G518 WeakPolarHBondContact O-CA 3.48Å; E292-G518 PolarHBondContact O-N 3.05Å; R295-G518 PolarHBondContact NH2-O 3.37Å
519	N	73	Confident	85.7	Confident	100 Å²	100	49.6 Å²	49.6	54%	0.535	24%	0.239	S	C	.	.	S	Bend	trans	-94	141.7	176	-73.7	-24.3	0	0	0	111.4	R295 S521 V522	R295-N519 PolarHBondContact NH1-OD1 2.87Å; R295-N519 PolarHBondContact NH2-OD1 3.16Å; N519-S521 PolarHBondContact O-N 3.35Å; N519-V522 HydrophobicContact CB-CB 4.46Å; N519-V522 HydrophobicContact CB-CG2 3.54Å
520	R	70.7	Confident	85.7	Confident	95 Å²	95	51.3 Å²	51.3	36%	0.358	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	133.6	-177.1	-65.8	-176.9	176.8	-178.2	-0	109.8	I349 E514 T516 V522	I349-R520 HydrophobicContact CG2-CG 4.47Å; E514-R520 IonicContact OE1-CZ 3.21Å; E514-R520 IonicContact OE1-NH2 2.69Å; E514-R520 PolarHBondContact OE1-NH2 2.97Å; E514-R520 IonicContact OE2-NH2 3.77Å; T516-R520 HydrophobicContact CG2-CG 3.92Å; R520-V522 VanDerWaalsContact C-N 3.29Å; R520-V522 PolarHBondContact O-N 3.25Å
521	S	68.7	Low	85.8	Confident	18 Å²	18	46.5 Å²	46.5	13%	0.126	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	36.5	174.6	-48	0	0	0	0	114.9	T496 N519 Y634	T496-S521 WeakPolarHBondContact CB-OG 3.4Å; N519-S521 PolarHBondContact O-N 3.35Å; S521-Y634 WeakPolarHBondContact O-CE1 3.45Å; S521-Y634 VanDerWaalsContact O-CZ 3.31Å; S521-Y634 PolarHBondContact O-OH 3.17Å
522	V	75.6	Confident	86	Confident	33 Å²	33	40.8 Å²	40.8	20%	0.2	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-98.2	140.7	174.6	-177.2	0	0	0	0	110.6	N519 R520 L675	N519-V522 HydrophobicContact CB-CB 4.46Å; N519-V522 HydrophobicContact CB-CG2 3.54Å; R520-V522 VanDerWaalsContact C-N 3.29Å; R520-V522 PolarHBondContact O-N 3.25Å; V522-L675 HydrophobicContact CG1-CB 4.14Å; V522-L675 VanDerWaalsContact CG1-O 3.22Å; V522-L675 WeakPolarHBondContact CG1-O 3.39Å; V522-L675 HydrophobicContact CG2-CB 4.12Å; V522-L675 HydrophobicContact CG2-CD1 4.48Å
523	V	77.7	Confident	85.9	Confident	7 Å²	7	41 Å²	41	4%	0.042	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-66.1	151.3	175.8	177.5	0	0	0	0	110.7	R525 V527 Q529 Y637 V638 V641 A672	V523-R525 PolarHBondContact O-N 2.91Å; V523-V527 HydrophobicContact CG1-CB 4.46Å; V523-Q529 HydrophobicContact CG1-CG 4.35Å; V523-Y637 HydrophobicContact CG2-CD1 4.44Å; V523-Y637 HydrophobicContact CG2-CE1 4.07Å; V523-V638 HydrophobicContact CG2-CG2 3.99Å; V523-V641 HydrophobicContact CG1-CG1 3.54Å; V523-A672 HydrophobicContact CG2-CB 4.44Å
524	C	75.8	Confident	85.8	Confident	30 Å²	30	42 Å²	42	20%	0.203	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.2	128.3	177.1	-168.3	0	0	0	0	110.7	D526 V527	C524-D526 PolarHBondContact O-N 3.49Å; C524-D526 VanDerWaalsContact O-N 3.11Å; C524-V527 HydrophobicContact CB-CG2 4.32Å; C524-V527 WeakPolarHBondContact O-CB 3.44Å; C524-V527 PolarHBondContact O-N 2.87Å
525	R	81.2	Confident	85.7	Confident	201 Å²	201	46.1 Å²	46.1	76%	0.758	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17	178	-69.8	-177.9	174.3	166	-0.8	114.4	V523 V527	V523-R525 PolarHBondContact O-N 2.91Å; R525-V527 PolarHBondContact O-N 3.48Å
526	D	83.8	Confident	85.6	Confident	75 Å²	75	49.2 Å²	49.2	40%	0.401	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.3	173.7	-56.4	-38.1	0	0	0	112.5	C524 K650 G651	C524-D526 PolarHBondContact O-N 3.49Å; C524-D526 VanDerWaalsContact O-N 3.11Å; D526-K650 CarbonylContact O-C 3.57Å; D526-K650 VanDerWaalsContact O-CA 3.26Å; D526-K650 WeakPolarHBondContact O-CA 3.41Å; D526-G651 PolarHBondContact O-N 3.32Å
527	V	87.9	Confident	85.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.7	174.1	-174.1	0	0	0	0	110.8	V523 C524 R525 V641 G651 A653 Q678	V523-V527 HydrophobicContact CG1-CB 4.46Å; C524-V527 HydrophobicContact CB-CG2 4.32Å; C524-V527 WeakPolarHBondContact O-CB 3.44Å; C524-V527 PolarHBondContact O-N 2.87Å; R525-V527 PolarHBondContact O-N 3.48Å; V527-V641 HydrophobicContact CB-CG1 4.3Å; V527-V641 HydrophobicContact CG1-CG1 3.74Å; V527-G651 CarbonylContact C-O 3.6Å; V527-G651 WeakPolarHBondContact CA-O 3.49Å; V527-A653 HydrophobicContact CG1-CB 3.59Å; V527-Q678 PolarHBondContact O-NE2 3.19Å
528	E	91.6	Very high	85.7	Confident	82 Å²	82	61.5 Å²	61.5	38%	0.383	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.2	169.8	-155.8	170	138.5	0	0	108.8	H530 G651 Y652 A653	E528-H530 IonicContact OE1-CE1 3.28Å; E528-H530 PolarHBondContact OE1-CE1 3.42Å; E528-H530 IonicContact OE1-NE2 3.07Å; E528-G651 PolarHBondContact N-O 2.9Å; E528-Y652 HydrophobicContact CB-CD1 3.88Å; E528-Y652 HydrophobicContact CB-CE1 4.08Å; E528-Y652 HydrophobicContact CG-CD1 4.45Å; E528-Y652 HydrophobicContact CG-CE1 4.42Å; E528-Y652 CarbonylContact O-C 3.13Å; E528-Y652 WeakPolarHBondContact O-CA 3.35Å; E528-Y652 WeakPolarHBondContact OE2-CE1 3.39Å; E528-A653 PolarHBondContact O-N 3.28Å
529	Q	93.2	Very high	86.2	Confident	9 Å²	9	60.7 Å²	60.7	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138.6	-176.4	-59.2	178.1	102.2	0	0	110.7	V523 Y637 F673 Q678	V523-Q529 HydrophobicContact CG1-CG 4.35Å; Q529-Y637 VanDerWaalsContact OE1-CE1 3.28Å; Q529-Y637 PolarHBondContact OE1-OH 3.01Å; Q529-F673 HydrophobicContact CB-CE1 3.85Å; Q529-F673 HydrophobicContact CB-CE2 3.94Å; Q529-F673 HydrophobicContact CB-CZ 3.53Å; Q529-F673 VanDerWaalsContact O-CE1 3.26Å; Q529-F673 WeakPolarHBondContact O-CE1 3.34Å; Q529-F673 WeakPolarHBondContact O-CZ 3.15Å; Q529-Q678 VanDerWaalsContact CG-OE1 3.29Å
530	H	93.9	Very high	87.3	Confident	48 Å²	48	58.4 Å²	58.4	22%	0.222	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131	173.2	-46.5	-83	0	0	0	109.3	E528 Y652 A653 F654 T655	E528-H530 IonicContact OE1-CE1 3.28Å; E528-H530 PolarHBondContact OE1-CE1 3.42Å; E528-H530 IonicContact OE1-NE2 3.07Å; H530-Y652 AromaticContact NE2-CD1 3.88Å; H530-A653 PolarHBondContact N-O 2.96Å; H530-F654 HydrophobicContact CB-CD1 3.66Å; H530-F654 HydrophobicContact CB-CE1 3.88Å; H530-F654 AromaticContact CD2-CD1 3.62Å; H530-F654 AromaticContact CD2-CE1 3.12Å; H530-F654 WeakPolarHBondContact CD2-CE1 3.23Å; H530-F654 AromaticContact CD2-CZ 3.52Å; H530-F654 AromaticContact CG-CD1 3.9Å; H530-F654 AromaticContact CG-CE1 3.59Å; H530-F654 AromaticContact NE2-CE1 3.84Å; H530-F654 AromaticContact NE2-CZ 3.92Å; H530-F654 CarbonylContact O-C 3.6Å; H530-F654 WeakPolarHBondContact O-CA 3.36Å; H530-T655 PolarHBondContact O-N 3.19Å
531	A	93.9	Very high	88.4	Confident	10 Å²	10	59.9 Å²	59.9	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.7	173.5	0	0	0	0	0	109.2	T655 F673 P681 L684	A531-T655 WeakPolarHBondContact CA-O 3.12Å; A531-F673 HydrophobicContact CB-CE2 4.15Å; A531-F673 HydrophobicContact CB-CZ 4.19Å; A531-P681 HydrophobicContact CB-CG 4.31Å; A531-L684 HydrophobicContact CB-CD2 4.01Å
532	F	94.2	Very high	89.6	Confident	62 Å²	62	60.8 Å²	60.8	27%	0.272	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.9	175.4	-63	-61.9	0	0	0	109.4	L534 K542 F654 T655 F656 L657	F532-L534 HydrophobicContact CB-CD1 3.99Å; F532-L534 HydrophobicContact CB-CD2 4.27Å; F532-L534 HydrophobicContact CB-CG 3.86Å; F532-K542 HydrophobicContact CD2-CG 4.36Å; F532-F654 AromaticContact CE2-CD1 3.73Å; F532-F654 HydrophobicContact CE2-CD1 3.73Å; F532-F654 HydrophobicContact CE2-CE1 4.29Å; F532-F654 HydrophobicContact CZ-CD1 4.48Å; F532-T655 PolarHBondContact N-O 3.45Å; F532-F656 HydrophobicContact CB-CD1 4.39Å; F532-F656 HydrophobicContact CD2-CD1 4.26Å; F532-F656 HydrophobicContact CD2-CE1 4.07Å; F532-F656 WeakPolarHBondContact O-CA 3.49Å; F532-L657 PolarHBondContact O-N 2.93Å
533	V	93.4	Very high	90.6	Very high	43 Å²	43	59.2 Å²	59.2	26%	0.261	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.1	164.8	-179	0	0	0	0	106.8	L657 P659 P683 I687	V533-L657 WeakPolarHBondContact CA-O 3.42Å; V533-P659 HydrophobicContact CG1-CB 3.72Å; V533-P659 HydrophobicContact CG1-CG 4.37Å; V533-P683 HydrophobicContact CB-CB 4.4Å; V533-P683 HydrophobicContact CG2-CB 3.85Å; V533-I687 HydrophobicContact CB-CD1 4.32Å; V533-I687 HydrophobicContact CG1-CD1 3.72Å; V533-I687 HydrophobicContact CG2-CD1 3.57Å
534	L	93.4	Very high	91.4	Very high	21 Å²	21	60.8 Å²	60.8	11%	0.11	29%	0.288	C	S	.	.			trans	-145.3	145.6	-173.6	-62.2	173.1	0	0	0	109.9	F532 Q538 K542 F656 L657 P659	F532-L534 HydrophobicContact CB-CD1 3.99Å; F532-L534 HydrophobicContact CB-CD2 4.27Å; F532-L534 HydrophobicContact CB-CG 3.86Å; L534-Q538 HydrophobicContact CB-CB 4.23Å; L534-Q538 HydrophobicContact CD2-CB 4.32Å; L534-K542 HydrophobicContact CD1-CB 3.79Å; L534-K542 HydrophobicContact CD1-CG 3.83Å; L534-F656 HydrophobicContact CD1-CB 4.13Å; L534-F656 HydrophobicContact CD1-CD1 3.5Å; L534-F656 HydrophobicContact CD1-CD2 4.24Å; L534-F656 HydrophobicContact CD1-CE1 3.9Å; L534-F656 HydrophobicContact CD1-CG 3.7Å; L534-F656 HydrophobicContact CD1-CZ 4.41Å; L534-L657 PolarHBondContact N-O 3Å; L534-P659 VanDerWaalsContact O-CD 3.29Å; L534-P659 WeakPolarHBondContact O-CD 3.31Å
535	E	92.9	Very high	92.2	Very high	101 Å²	101	64 Å²	64	47%	0.472	30%	0.3	S	S	.	.			trans	-71.5	157.8	164.6	-58	-61	173.4	0	0	111.1	E537 Q538 K539 P659	E535-E537 VanDerWaalsContact C-N 3.26Å; E535-E537 PolarHBondContact O-N 3.09Å; E535-Q538 HydrophobicContact CB-CG 4.2Å; E535-Q538 VanDerWaalsContact N-OE1 3.12Å; E535-Q538 WeakPolarHBondContact O-CB 3.33Å; E535-Q538 PolarHBondContact O-N 3.43Å; E535-K539 PolarHBondContact O-N 3.15Å; E535-P659 VanDerWaalsContact OE1-CG 3.25Å; E535-P659 WeakPolarHBondContact OE1-CG 3.21Å; E535-P659 WeakPolarHBondContact OE2-CG 3.2Å
536	E	90.9	Very high	92.8	Very high	66 Å²	66	54.7 Å²	54.7	31%	0.308	27%	0.265	S	S	.	.	H	α-helix	trans	-54.1	-42	-177	-175.5	75.8	168.6	0	0	112.1	Q538 K539 R565 L658	E536-Q538 VanDerWaalsContact C-N 3.3Å; E536-Q538 PolarHBondContact O-N 3.02Å; E536-K539 WeakPolarHBondContact O-CB 3.09Å; E536-K539 PolarHBondContact O-N 3.39Å; E536-K539 WeakPolarHBondContact OE2-CD 3.38Å; E536-K539 WeakPolarHBondContact OE2-CE 3.32Å; E536-K539 IonicContact OE2-NZ 2.77Å; E536-K539 PolarHBondContact OE2-NZ 2.71Å; E536-R565 IonicContact OE1-CZ 2.68Å; E536-R565 IonicContact OE1-NH2 2.99Å; E536-R565 PolarHBondContact OE1-NH2 3.17Å; E536-L658 HydrophobicContact CB-CD2 4.12Å
537	E	91.2	Very high	93.3	Very high	174 Å²	174	51.1 Å²	51.1	81%	0.813	25%	0.246	S	C	*	.	H	α-helix	trans	-62.8	-33.2	176.7	-61.7	173.8	-170.6	0	0	113	E535	E535-E537 VanDerWaalsContact C-N 3.26Å; E535-E537 PolarHBondContact O-N 3.09Å
538	Q	93.3	Very high	93.3	Very high	97 Å²	97	53.9 Å²	53.9	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-79	-23.7	-177.2	-62.4	171.8	-7.4	0	0	112.2	L534 E535 E536 F540 L541 K542	L534-Q538 HydrophobicContact CB-CB 4.23Å; L534-Q538 HydrophobicContact CD2-CB 4.32Å; E535-Q538 HydrophobicContact CB-CG 4.2Å; E535-Q538 VanDerWaalsContact N-OE1 3.12Å; E535-Q538 WeakPolarHBondContact O-CB 3.33Å; E535-Q538 PolarHBondContact O-N 3.43Å; E536-Q538 VanDerWaalsContact C-N 3.3Å; E536-Q538 PolarHBondContact O-N 3.02Å; Q538-F540 VanDerWaalsContact C-N 3.32Å; Q538-F540 PolarHBondContact O-N 2.86Å; Q538-L541 PolarHBondContact O-N 2.71Å; Q538-K542 WeakPolarHBondContact O-CB 3.37Å; Q538-K542 PolarHBondContact O-N 3.28Å
539	K	94.2	Very high	93.1	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-54.7	-44.5	179.5	-70.3	-178.6	172.5	172.8	0	112.5	E535 E536 K542 L543 Y628 D629 F656	E535-K539 PolarHBondContact O-N 3.15Å; E536-K539 WeakPolarHBondContact O-CB 3.09Å; E536-K539 PolarHBondContact O-N 3.39Å; E536-K539 WeakPolarHBondContact OE2-CD 3.38Å; E536-K539 WeakPolarHBondContact OE2-CE 3.32Å; E536-K539 IonicContact OE2-NZ 2.77Å; E536-K539 PolarHBondContact OE2-NZ 2.71Å; K539-K542 PolarHBondContact O-N 2.88Å; K539-L543 WeakPolarHBondContact O-CB 3.37Å; K539-L543 PolarHBondContact O-N 3.17Å; K539-Y628 HydrophobicContact CB-CD2 4.37Å; K539-Y628 HydrophobicContact CB-CE1 4.12Å; K539-Y628 HydrophobicContact CB-CE2 3.66Å; K539-Y628 WeakPolarHBondContact CB-OH 3.43Å; K539-Y628 HydrophobicContact CD-CD1 4.08Å; K539-Y628 HydrophobicContact CD-CE1 3.73Å; K539-Y628 WeakPolarHBondContact CD-O 3.35Å; K539-Y628 VanDerWaalsContact CE-O 3.22Å; K539-Y628 WeakPolarHBondContact CE-O 3.28Å; K539-Y628 PolarHBondContact NZ-O 2.85Å; K539-D629 IonicContact NZ-OD1 3.94Å; K539-D629 PolarHBondContact NZ-OD1 2.83Å; K539-F656 HydrophobicContact CB-CD2 3.86Å; K539-F656 HydrophobicContact CB-CE2 4.26Å; K539-F656 HydrophobicContact CD-CD2 4.45Å; K539-F656 HydrophobicContact CG-CB 4.18Å; K539-F656 HydrophobicContact CG-CD2 3.89Å; K539-F656 HydrophobicContact CG-CG 4.39Å; K539-F656 VanDerWaalsContact O-CE2 3.3Å; K539-F656 WeakPolarHBondContact O-CE2 3.46Å
540	F	95.1	Very high	92.8	Very high	53 Å²	53	56.3 Å²	56.3	23%	0.232	29%	0.287	C	S	.	.	H	α-helix	trans	-68.6	-45.3	-177.3	-173.4	-109	0	0	0	111.8	Q538 K542 L543 L544 L569 D572 L573 A576 Y628	Q538-F540 VanDerWaalsContact C-N 3.32Å; Q538-F540 PolarHBondContact O-N 2.86Å; F540-K542 VanDerWaalsContact C-N 3.34Å; F540-K542 PolarHBondContact O-N 3Å; F540-L543 WeakPolarHBondContact O-CB 3.33Å; F540-L543 PolarHBondContact O-N 2.94Å; F540-L544 HydrophobicContact CD1-CD1 4.08Å; F540-L544 HydrophobicContact CE1-CD1 3.65Å; F540-L544 HydrophobicContact CE1-CG 4.21Å; F540-L544 HydrophobicContact CZ-CD1 4.12Å; F540-L544 HydrophobicContact CZ-CD2 4.23Å; F540-L544 HydrophobicContact CZ-CG 4.31Å; F540-L544 WeakPolarHBondContact O-CG 3.26Å; F540-L544 PolarHBondContact O-N 2.64Å; F540-L569 HydrophobicContact CD2-CD1 3.8Å; F540-L569 HydrophobicContact CE2-CD1 4.01Å; F540-D572 HydrophobicContact CE2-CB 3.77Å; F540-D572 HydrophobicContact CZ-CB 3.84Å; F540-L573 HydrophobicContact CE2-CD2 4.35Å; F540-L573 HydrophobicContact CE2-CG 4.42Å; F540-A576 HydrophobicContact CZ-CB 4.48Å; F540-Y628 PolarHBondContact N-OH 3.23Å
541	L	94.4	Very high	92.1	Very high	125 Å²	125	56.3 Å²	56.3	65%	0.654	29%	0.287	S	S	*	.	H	α-helix	trans	-61	-42.3	175.6	-65.2	175.7	0	0	0	111.7	Q538 L543 L544 E545	Q538-L541 PolarHBondContact O-N 2.71Å; L541-L543 VanDerWaalsContact C-N 3.34Å; L541-L543 PolarHBondContact O-N 3.33Å; L541-L544 PolarHBondContact O-N 3.38Å; L541-E545 PolarHBondContact O-N 2.96Å
542	K	94.8	Very high	91.5	Very high	38 Å²	38	65 Å²	65	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-69.1	-31.3	176.6	-168.2	51.4	158.9	-178.4	0	112.8	F532 L534 Q538 K539 F540 E545 L546 F656	F532-K542 HydrophobicContact CD2-CG 4.36Å; L534-K542 HydrophobicContact CD1-CB 3.79Å; L534-K542 HydrophobicContact CD1-CG 3.83Å; Q538-K542 WeakPolarHBondContact O-CB 3.37Å; Q538-K542 PolarHBondContact O-N 3.28Å; K539-K542 PolarHBondContact O-N 2.88Å; F540-K542 VanDerWaalsContact C-N 3.34Å; F540-K542 PolarHBondContact O-N 3Å; K542-E545 HydrophobicContact CD-CB 4.38Å; K542-E545 WeakPolarHBondContact CD-OE2 3.47Å; K542-E545 IonicContact NZ-OE1 2.64Å; K542-E545 PolarHBondContact NZ-OE1 3.41Å; K542-E545 IonicContact NZ-OE2 3.27Å; K542-E545 PolarHBondContact NZ-OE2 3.16Å; K542-L546 WeakPolarHBondContact O-CG 3.05Å; K542-L546 PolarHBondContact O-N 3Å; K542-L546 VanDerWaalsContact O-N 3.17Å; K542-F656 HydrophobicContact CB-CE1 4.33Å; K542-F656 HydrophobicContact CB-CZ 4.06Å; K542-F656 HydrophobicContact CG-CE1 3.83Å; K542-F656 HydrophobicContact CG-CZ 3.99Å
543	L	95.9	Very high	91	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-46.2	171.5	179.5	65.6	0	0	0	111.1	K539 F540 L541 E545 L546 L547 I558 L569 L573 V626 Y628 F656	K539-L543 WeakPolarHBondContact O-CB 3.37Å; K539-L543 PolarHBondContact O-N 3.17Å; F540-L543 WeakPolarHBondContact O-CB 3.33Å; F540-L543 PolarHBondContact O-N 2.94Å; L541-L543 VanDerWaalsContact C-N 3.34Å; L541-L543 PolarHBondContact O-N 3.33Å; L543-E545 PolarHBondContact O-N 3.3Å; L543-L546 PolarHBondContact O-N 3.41Å; L543-L547 HydrophobicContact CD1-CD1 4.18Å; L543-L547 HydrophobicContact CD1-CG 4.19Å; L543-L547 HydrophobicContact CD2-CD1 4.43Å; L543-L547 HydrophobicContact CG-CD1 3.87Å; L543-L547 HydrophobicContact CG-CG 4.29Å; L543-L547 WeakPolarHBondContact O-CB 3.32Å; L543-L547 VanDerWaalsContact O-CG 3.28Å; L543-L547 WeakPolarHBondContact O-CG 3.41Å; L543-L547 PolarHBondContact O-N 3.25Å; L543-I558 HydrophobicContact CD1-CD1 3.85Å; L543-I558 HydrophobicContact CD1-CG1 4.08Å; L543-I558 HydrophobicContact CD2-CD1 3.89Å; L543-I558 HydrophobicContact CG-CD1 4.4Å; L543-L569 HydrophobicContact CD2-CD1 3.89Å; L543-L569 HydrophobicContact CD2-CD2 4.25Å; L543-L569 HydrophobicContact CD2-CG 4.45Å; L543-L573 HydrophobicContact CD2-CD1 4.34Å; L543-L573 HydrophobicContact CD2-CD2 4.06Å; L543-V626 HydrophobicContact CD1-CB 4.36Å; L543-V626 HydrophobicContact CD1-CG1 3.98Å; L543-V626 HydrophobicContact CD1-CG2 4.26Å; L543-Y628 HydrophobicContact CB-CD2 4.41Å; L543-Y628 HydrophobicContact CB-CE2 4.26Å; L543-Y628 HydrophobicContact CD2-CD2 3.95Å; L543-Y628 HydrophobicContact CD2-CE2 3.98Å; L543-F656 HydrophobicContact CB-CE2 4.17Å; L543-F656 HydrophobicContact CB-CZ 4.38Å
544	L	94.4	Very high	90.5	Very high	40 Å²	40	65 Å²	65	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-41.5	177.7	-65.8	178	0	0	0	112.1	F540 L541 L546 L547 G548 L573 A576 Y578	F540-L544 HydrophobicContact CD1-CD1 4.08Å; F540-L544 HydrophobicContact CE1-CD1 3.65Å; F540-L544 HydrophobicContact CE1-CG 4.21Å; F540-L544 HydrophobicContact CZ-CD1 4.12Å; F540-L544 HydrophobicContact CZ-CD2 4.23Å; F540-L544 HydrophobicContact CZ-CG 4.31Å; F540-L544 WeakPolarHBondContact O-CG 3.26Å; F540-L544 PolarHBondContact O-N 2.64Å; L541-L544 PolarHBondContact O-N 3.38Å; L544-L546 VanDerWaalsContact C-N 3.35Å; L544-L546 PolarHBondContact O-N 2.99Å; L544-L547 PolarHBondContact O-N 3.34Å; L544-G548 PolarHBondContact O-N 3.21Å; L544-L573 HydrophobicContact CD2-CD2 4.21Å; L544-A576 HydrophobicContact CD2-CB 4.01Å; L544-Y578 HydrophobicContact CD2-CD2 3.99Å; L544-Y578 HydrophobicContact CD2-CE2 3.54Å
545	E	93.6	Very high	90.4	Very high	97 Å²	97	64.6 Å²	64.6	45%	0.453	33%	0.331	S	S	.	.	H	α-helix	trans	-56.2	-47.1	173.9	-170.1	-153.6	115.5	0	0	111.8	L541 K542 L543 I549	L541-E545 PolarHBondContact O-N 2.96Å; K542-E545 HydrophobicContact CD-CB 4.38Å; K542-E545 WeakPolarHBondContact CD-OE2 3.47Å; K542-E545 IonicContact NZ-OE1 2.64Å; K542-E545 PolarHBondContact NZ-OE1 3.41Å; K542-E545 IonicContact NZ-OE2 3.27Å; K542-E545 PolarHBondContact NZ-OE2 3.16Å; L543-E545 PolarHBondContact O-N 3.3Å; E545-I549 WeakPolarHBondContact O-CG1 3.25Å
546	L	93.4	Very high	90.4	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-40	178.5	-67.8	172.9	0	0	0	112.4	K542 L543 L544 I549 Y550 M624 F654 F656	K542-L546 WeakPolarHBondContact O-CG 3.05Å; K542-L546 PolarHBondContact O-N 3Å; K542-L546 VanDerWaalsContact O-N 3.17Å; L543-L546 PolarHBondContact O-N 3.41Å; L544-L546 VanDerWaalsContact C-N 3.35Å; L544-L546 PolarHBondContact O-N 2.99Å; L546-I549 PolarHBondContact O-N 3.43Å; L546-Y550 HydrophobicContact CD2-CE2 4.35Å; L546-Y550 WeakPolarHBondContact O-CD2 3.26Å; L546-Y550 PolarHBondContact O-N 3.07Å; L546-M624 HydrophobicContact CB-CE 4.3Å; L546-M624 HydrophobicContact CB-SD 4.23Å; L546-F654 HydrophobicContact CD1-CB 3.75Å; L546-F654 HydrophobicContact CD1-CD1 3.83Å; L546-F654 HydrophobicContact CD1-CD2 4.03Å; L546-F654 HydrophobicContact CD1-CE1 4.49Å; L546-F654 HydrophobicContact CD1-CG 3.57Å; L546-F654 HydrophobicContact CD2-CD1 3.73Å; L546-F654 HydrophobicContact CD2-CD2 4.2Å; L546-F654 HydrophobicContact CD2-CE1 3.54Å; L546-F654 HydrophobicContact CD2-CE2 4.03Å; L546-F654 HydrophobicContact CD2-CG 4.07Å; L546-F654 HydrophobicContact CD2-CZ 3.72Å; L546-F654 HydrophobicContact CG-CD1 4.46Å; L546-F654 HydrophobicContact CG-CG 4.45Å; L546-F656 HydrophobicContact CD1-CE1 3.94Å; L546-F656 HydrophobicContact CD1-CZ 3.97Å
547	L	93.3	Very high	90.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-42.4	178.6	-70.9	173.5	0	0	0	111.6	L543 L544 I549 Y550 Q551 V556 L573 Y578 L606 M624	L543-L547 HydrophobicContact CD1-CD1 4.18Å; L543-L547 HydrophobicContact CD1-CG 4.19Å; L543-L547 HydrophobicContact CD2-CD1 4.43Å; L543-L547 HydrophobicContact CG-CD1 3.87Å; L543-L547 HydrophobicContact CG-CG 4.29Å; L543-L547 WeakPolarHBondContact O-CB 3.32Å; L543-L547 VanDerWaalsContact O-CG 3.28Å; L543-L547 WeakPolarHBondContact O-CG 3.41Å; L543-L547 PolarHBondContact O-N 3.25Å; L544-L547 PolarHBondContact O-N 3.34Å; L547-I549 PolarHBondContact O-N 3.12Å; L547-I549 VanDerWaalsContact O-N 3.13Å; L547-Y550 PolarHBondContact O-N 3.37Å; L547-Q551 WeakPolarHBondContact O-CB 3.34Å; L547-Q551 PolarHBondContact O-N 2.99Å; L547-V556 HydrophobicContact CD2-CG1 3.94Å; L547-V556 HydrophobicContact CD2-CG2 4.45Å; L547-L573 HydrophobicContact CD1-CD2 3.49Å; L547-L573 VanDerWaalsContact CD1-CD2 3.49Å; L547-Y578 HydrophobicContact CB-CD1 4.03Å; L547-Y578 HydrophobicContact CB-CE1 3.5Å; L547-Y578 VanDerWaalsContact CB-CE1 3.5Å; L547-Y578 HydrophobicContact CD1-CD1 4Å; L547-Y578 HydrophobicContact CD1-CE1 4.19Å; L547-Y578 HydrophobicContact CD1-CG 4.38Å; L547-Y578 HydrophobicContact CG-CE1 4.44Å; L547-L606 HydrophobicContact CD1-CD2 3.79Å; L547-L606 HydrophobicContact CD2-CD1 3.6Å; L547-L606 HydrophobicContact CD2-CD2 3.9Å; L547-L606 HydrophobicContact CD2-CG 4.42Å; L547-M624 HydrophobicContact CD2-CE 3.91Å
548	G	89.4	Confident	90.7	Very high	59 Å²	59	48.4 Å²	48.4	61%	0.608	26%	0.255	S	S	*	.	H	α-helix	trans	-60.4	-20.4	175.9	0	0	0	0	0	114.7	L544	L544-G548 PolarHBondContact O-N 3.21Å
549	I	86.7	Confident	90.9	Very high	99 Å²	99	44 Å²	44	51%	0.508	24%	0.235	S	C	.	.	H	α-helix	trans	-92	-42.8	175.1	-63.1	166.6	0	0	0	111.7	E545 L546 L547	E545-I549 WeakPolarHBondContact O-CG1 3.25Å; L546-I549 PolarHBondContact O-N 3.43Å; L547-I549 PolarHBondContact O-N 3.12Å; L547-I549 VanDerWaalsContact O-N 3.13Å
550	Y	86.5	Confident	90.9	Very high	42 Å²	42	43.9 Å²	43.9	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-105	-15.9	-165.2	-70.9	-75.5	0	0	0	115.8	L546 L547 E552 V553 M624 Y652 F654	L546-Y550 HydrophobicContact CD2-CE2 4.35Å; L546-Y550 WeakPolarHBondContact O-CD2 3.26Å; L546-Y550 PolarHBondContact O-N 3.07Å; L547-Y550 PolarHBondContact O-N 3.37Å; Y550-E552 PolarHBondContact O-N 2.95Å; Y550-V553 PolarHBondContact O-N 2.88Å; Y550-M624 HydrophobicContact CD2-CE 4.39Å; Y550-M624 HydrophobicContact CD2-SD 3.52Å; Y550-M624 VanDerWaalsContact CD2-SD 3.52Å; Y550-M624 HydrophobicContact CE2-SD 4.34Å; Y550-M624 HydrophobicContact CG-CE 4.42Å; Y550-M624 HydrophobicContact CG-SD 3.76Å; Y550-Y652 HydrophobicContact CD1-CD2 4.21Å; Y550-Y652 HydrophobicContact CE1-CD1 4.3Å; Y550-Y652 AromaticContact CE1-CD2 3.63Å; Y550-Y652 HydrophobicContact CE1-CD2 3.63Å; Y550-Y652 HydrophobicContact CE1-CE1 4.45Å; Y550-Y652 AromaticContact CE1-CE2 3.8Å; Y550-Y652 HydrophobicContact CE1-CE2 3.8Å; Y550-Y652 AromaticContact CE1-CG 3.91Å; Y550-Y652 HydrophobicContact CE1-CG 3.91Å; Y550-F654 HydrophobicContact CD2-CE2 4.08Å; Y550-F654 HydrophobicContact CD2-CZ 4.38Å; Y550-F654 AromaticContact CE2-CE2 3.66Å; Y550-F654 HydrophobicContact CE2-CE2 3.66Å; Y550-F654 AromaticContact CE2-CZ 3.54Å; Y550-F654 HydrophobicContact CE2-CZ 3.54Å; Y550-F654 AromaticContact CZ-CZ 3.92Å
551	Q	80.3	Confident	90.7	Very high	48 Å²	48	45.1 Å²	45.1	22%	0.224	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-38.2	-173.5	-178.3	-171.7	9	0	0	113.8	L547 V553	L547-Q551 WeakPolarHBondContact O-CB 3.34Å; L547-Q551 PolarHBondContact O-N 2.99Å; Q551-V553 VanDerWaalsContact C-N 3.27Å; Q551-V553 PolarHBondContact O-N 3.09Å
552	E	80	Confident	90.6	Very high	194 Å²	194	45.1 Å²	45.1	91%	0.907	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.8	178.9	-63.9	-159.2	146.6	0	0	112.9	Y550	Y550-E552 PolarHBondContact O-N 2.95Å
553	V	83	Confident	90.5	Very high	91 Å²	91	47 Å²	47	55%	0.552	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-34	-172.7	-161.3	0	0	0	0	111.4	Y550 Q551 I623	Y550-V553 PolarHBondContact O-N 2.88Å; Q551-V553 VanDerWaalsContact C-N 3.27Å; Q551-V553 PolarHBondContact O-N 3.09Å; V553-I623 HydrophobicContact CB-CD1 4.14Å; V553-I623 HydrophobicContact CG1-CD1 3.68Å; V553-I623 WeakPolarHBondContact O-CD1 3.34Å
554	G	83.7	Confident	90.4	Very high	12 Å²	12	51.2 Å²	51.2	12%	0.124	27%	0.267	C	S	.	.	S	Bend	trans	167.1	-161.7	-179.9	0	0	0	0	0	114.5
555	N	90.7	Very high	90.4	Very high	13 Å²	13	54 Å²	54	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.3	-174	-67.5	70.4	0	0	0	112.2	F599 N605 V619 N621 M622 I623 M624	N555-F599 HydrophobicContact CB-CE2 4Å; N555-F599 HydrophobicContact CB-CZ 3.84Å; N555-F599 WeakPolarHBondContact ND2-CD2 3.37Å; N555-F599 WeakPolarHBondContact ND2-CE2 3.49Å; N555-F599 PolarHBondContact ND2-O 3.4Å; N555-N605 CarbonylContact C-O 3.46Å; N555-N605 WeakPolarHBondContact CA-O 3.36Å; N555-V619 HydrophobicContact CB-CG1 4.36Å; N555-N621 WeakPolarHBondContact CB-O 3.24Å; N555-N621 PolarHBondContact N-O 2.87Å; N555-N621 VanDerWaalsContact N-O 3.08Å; N555-M622 WeakPolarHBondContact O-CA 3.45Å; N555-I623 PolarHBondContact O-N 3.31Å; N555-M624 PolarHBondContact O-N 3.15Å
556	V	93	Very high	90.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.4	178.1	-177.5	0	0	0	0	109.9	L547 F599 N605 L606 L607 M624	L547-V556 HydrophobicContact CD2-CG1 3.94Å; L547-V556 HydrophobicContact CD2-CG2 4.45Å; V556-F599 WeakPolarHBondContact O-CE2 3.2Å; V556-F599 WeakPolarHBondContact O-CZ 3.28Å; V556-N605 PolarHBondContact N-O 3.36Å; V556-L606 HydrophobicContact CB-CD1 3.61Å; V556-L606 HydrophobicContact CG1-CD1 3.51Å; V556-L607 PolarHBondContact O-N 3.36Å; V556-L607 VanDerWaalsContact O-N 3.08Å; V556-M624 WeakPolarHBondContact CA-O 3.42Å; V556-M624 HydrophobicContact CB-CE 4.36Å; V556-M624 HydrophobicContact CG1-CB 4.18Å; V556-M624 HydrophobicContact CG1-CE 3.46Å; V556-M624 VanDerWaalsContact CG1-CE 3.46Å; V556-M624 HydrophobicContact CG1-CG 4.33Å; V556-M624 HydrophobicContact CG2-CB 4.19Å; V556-M624 HydrophobicContact CG2-CE 3.93Å
557	L	94.2	Very high	90.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114	174.6	177.9	63	0	0	0	110.6	F559 L607 A609 A614 L617 M622 M624 V625 V626 R643	L557-F559 HydrophobicContact CD2-CD2 4.36Å; L557-F559 HydrophobicContact CD2-CE2 3.48Å; L557-F559 VanDerWaalsContact CD2-CE2 3.48Å; L557-F559 HydrophobicContact CD2-CZ 3.67Å; L557-F559 HydrophobicContact CG-CD2 4.21Å; L557-F559 HydrophobicContact CG-CE2 3.82Å; L557-F559 HydrophobicContact CG-CZ 4.29Å; L557-L607 HydrophobicContact CD1-CB 4.1Å; L557-L607 HydrophobicContact CD1-CD2 3.97Å; L557-L607 HydrophobicContact CD1-CG 4.28Å; L557-A609 HydrophobicContact CD1-CB 3.99Å; L557-A614 HydrophobicContact CD1-CB 4.37Å; L557-A614 HydrophobicContact CD2-CB 4.11Å; L557-L617 HydrophobicContact CD2-CD2 4.39Å; L557-M622 HydrophobicContact CB-CE 4.24Å; L557-M622 HydrophobicContact CB-CG 4.42Å; L557-M622 HydrophobicContact CB-SD 3.56Å; L557-M622 VanDerWaalsContact CB-SD 3.56Å; L557-M622 HydrophobicContact CD2-CE 3.87Å; L557-M622 HydrophobicContact CD2-SD 3.67Å; L557-M622 HydrophobicContact CG-SD 4.28Å; L557-M624 PolarHBondContact N-O 3.04Å; L557-V625 CarbonylContact O-C 3.5Å; L557-V625 WeakPolarHBondContact O-CA 3.32Å; L557-V626 PolarHBondContact O-N 3.41Å; L557-R643 HydrophobicContact CD2-CB 4.04Å; L557-R643 HydrophobicContact CD2-CG 3.9Å
558	I	95.5	Very high	90.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.6	172.6	-56.4	163.1	0	0	0	109.1	L543 L569 L573 L606 L607 V608 A609 V626	L543-I558 HydrophobicContact CD1-CD1 3.85Å; L543-I558 HydrophobicContact CD1-CG1 4.08Å; L543-I558 HydrophobicContact CD2-CD1 3.89Å; L543-I558 HydrophobicContact CG-CD1 4.4Å; I558-L569 HydrophobicContact CG2-CD2 3.93Å; I558-L573 HydrophobicContact CD1-CD1 3.74Å; I558-L606 HydrophobicContact CD1-CD1 3.66Å; I558-L606 HydrophobicContact CD1-CD2 4.45Å; I558-L606 HydrophobicContact CD1-CG 4.28Å; I558-L606 HydrophobicContact CG1-CD1 4.01Å; I558-L607 PolarHBondContact N-O 2.87Å; I558-V608 HydrophobicContact CB-CG2 4.3Å; I558-V608 HydrophobicContact CD1-CG2 3.97Å; I558-A609 PolarHBondContact O-N 2.95Å; I558-V626 CarbonylContact C-O 3.58Å; I558-V626 WeakPolarHBondContact CA-O 3.36Å; I558-V626 HydrophobicContact CG1-CB 4.28Å
559	F	96.1	Very high	91	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.2	172.2	-78	-85.6	0	0	0	111.8	L557 A609 A614 V625 V626 Y628 D629 R640 R643	L557-F559 HydrophobicContact CD2-CD2 4.36Å; L557-F559 HydrophobicContact CD2-CE2 3.48Å; L557-F559 VanDerWaalsContact CD2-CE2 3.48Å; L557-F559 HydrophobicContact CD2-CZ 3.67Å; L557-F559 HydrophobicContact CG-CD2 4.21Å; L557-F559 HydrophobicContact CG-CE2 3.82Å; L557-F559 HydrophobicContact CG-CZ 4.29Å; F559-A609 VanDerWaalsContact CA-O 3.32Å; F559-A609 WeakPolarHBondContact CA-O 3.44Å; F559-A614 HydrophobicContact CE1-CB 3.57Å; F559-A614 HydrophobicContact CZ-CB 3.71Å; F559-V625 HydrophobicContact CD2-CG1 3.75Å; F559-V625 HydrophobicContact CE2-CG1 3.81Å; F559-V626 PolarHBondContact N-O 3.19Å; F559-Y628 WeakPolarHBondContact O-CB 3.23Å; F559-Y628 PolarHBondContact O-N 3Å; F559-D629 PolarHBondContact O-N 2.9Å; F559-R640 HydrophobicContact CD1-CG 3.79Å; F559-R640 HydrophobicContact CD2-CB 3.83Å; F559-R640 HydrophobicContact CD2-CG 3.94Å; F559-R640 HydrophobicContact CE1-CB 4.36Å; F559-R640 HydrophobicContact CE1-CG 3.69Å; F559-R640 HydrophobicContact CE2-CB 3.6Å; F559-R640 HydrophobicContact CE2-CG 3.85Å; F559-R640 HydrophobicContact CG-CB 4.31Å; F559-R640 HydrophobicContact CG-CG 3.9Å; F559-R640 HydrophobicContact CZ-CB 3.89Å; F559-R640 HydrophobicContact CZ-CG 3.73Å; F559-R643 HydrophobicContact CE2-CG 4.17Å; F559-R643 HydrophobicContact CZ-CG 4.03Å
560	V	95.4	Very high	91.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	162.8	168.2	-67.3	0	0	0	0	109.8	K562 R565 A566 L569 V608 A609 T610 Y628 D629	V560-K562 WeakPolarHBondContact CG2-O 3.46Å; V560-R565 HydrophobicContact CB-CB 4.37Å; V560-A566 HydrophobicContact CG2-CB 3.65Å; V560-L569 HydrophobicContact CG1-CD2 3.82Å; V560-V608 HydrophobicContact CG1-CG1 4.28Å; V560-V608 HydrophobicContact CG2-CG1 4.13Å; V560-A609 PolarHBondContact N-O 3.49Å; V560-T610 HydrophobicContact CG2-CG2 4.3Å; V560-T610 WeakPolarHBondContact O-CA 3.4Å; V560-Y628 HydrophobicContact CG1-CD1 4.26Å; V560-Y628 HydrophobicContact CG1-CG 4.48Å; V560-D629 WeakPolarHBondContact CA-OD2 3.37Å; V560-D629 WeakPolarHBondContact CB-OD2 3.02Å
561	D	91.3	Very high	91.8	Very high	79 Å²	79	49.9 Å²	49.9	42%	0.422	25%	0.25	S	S	.	.	S	Bend	trans	-79.4	-52.5	178.4	-169.7	60.9	0	0	0	112	D629 N632	D561-D629 HydrophobicContact CB-CB 4.15Å; D561-D629 PolarHBondContact N-OD2 3.49Å; D561-N632 PolarHBondContact OD1-ND2 3Å
562	K	91.3	Very high	92.6	Very high	124 Å²	124	50.2 Å²	50.2	54%	0.539	25%	0.254	S	S	.	.	S	Bend	trans	-94.8	160.1	-174.9	-70.8	-172.7	-179	-179.6	0	113.6	V560 E564 R565 A566 T610	V560-K562 WeakPolarHBondContact CG2-O 3.46Å; K562-E564 WeakPolarHBondContact CB-OE2 3.38Å; K562-R565 HydrophobicContact CB-CB 4.23Å; K562-R565 HydrophobicContact CB-CG 4.19Å; K562-A566 PolarHBondContact O-N 3.15Å; K562-T610 VanDerWaalsContact O-CG2 3.3Å; K562-T610 WeakPolarHBondContact O-CG2 3.33Å
563	Q	92.7	Very high	93.3	Very high	77 Å²	77	41 Å²	41	36%	0.36	21%	0.21	S	C	.	.	S	Bend	trans	-78.2	-35.3	174.8	65.4	-179.1	5.4	0	0	111.9	A566 D567 H584	Q563-A566 WeakPolarHBondContact O-CA 3.32Å; Q563-A566 VanDerWaalsContact O-CB 3.24Å; Q563-A566 WeakPolarHBondContact O-CB 3.47Å; Q563-A566 PolarHBondContact O-N 3Å; Q563-D567 PolarHBondContact O-N 3.47Å; Q563-H584 HydrophobicContact CB-CB 3.95Å
564	E	94	Very high	93.8	Very high	90 Å²	90	41.5 Å²	41.5	42%	0.421	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-48.2	178.3	-57.5	71.7	-151.5	0	0	109.2	K562 A566 D567 E568	K562-E564 WeakPolarHBondContact CB-OE2 3.38Å; E564-A566 PolarHBondContact O-N 2.88Å; E564-A566 VanDerWaalsContact O-N 3.12Å; E564-D567 PolarHBondContact O-N 3.16Å; E564-D567 VanDerWaalsContact O-N 3.11Å; E564-E568 WeakPolarHBondContact O-CG 3.47Å; E564-E568 PolarHBondContact O-N 3.28Å
565	R	93.7	Very high	94.4	Very high	99 Å²	99	49.7 Å²	49.7	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-56.9	-25.1	170.2	-70.4	-51.9	-138.1	-166.4	6.6	114.3	E536 V560 K562 E568 L569	E536-R565 IonicContact OE1-CZ 2.68Å; E536-R565 IonicContact OE1-NH2 2.99Å; E536-R565 PolarHBondContact OE1-NH2 3.17Å; V560-R565 HydrophobicContact CB-CB 4.37Å; K562-R565 HydrophobicContact CB-CB 4.23Å; K562-R565 HydrophobicContact CB-CG 4.19Å; R565-E568 WeakPolarHBondContact CD-OE2 3.34Å; R565-E568 IonicContact CZ-OE2 2.71Å; R565-E568 IonicContact NE-OE2 3.68Å; R565-E568 IonicContact NH1-OE2 3.92Å; R565-E568 PolarHBondContact NH1-OE2 3.46Å; R565-L569 WeakPolarHBondContact O-CB 3.2Å; R565-L569 PolarHBondContact O-N 3.37Å; R565-L569 VanDerWaalsContact O-N 3.12Å
566	A	95.1	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-75.5	-41	177.3	0	0	0	0	0	111.7	V560 K562 Q563 E564 V570 V608	V560-A566 HydrophobicContact CG2-CB 3.65Å; K562-A566 PolarHBondContact O-N 3.15Å; Q563-A566 WeakPolarHBondContact O-CA 3.32Å; Q563-A566 VanDerWaalsContact O-CB 3.24Å; Q563-A566 WeakPolarHBondContact O-CB 3.47Å; Q563-A566 PolarHBondContact O-N 3Å; E564-A566 PolarHBondContact O-N 2.88Å; E564-A566 VanDerWaalsContact O-N 3.12Å; A566-V570 WeakPolarHBondContact O-CB 3.39Å; A566-V570 VanDerWaalsContact O-CG2 3.22Å; A566-V570 WeakPolarHBondContact O-CG2 3.48Å; A566-V570 PolarHBondContact O-N 2.66Å; A566-V570 VanDerWaalsContact O-N 3.17Å; A566-V608 HydrophobicContact CB-CG1 4.13Å
567	D	95.4	Very high	94.4	Very high	67 Å²	67	54 Å²	54	36%	0.358	28%	0.279	S	S	.	.	H	α-helix	trans	-76.3	-37.9	177.7	-67.4	-37.9	0	0	0	111.4	Q563 E564 V570 A571 P582 H584	Q563-D567 PolarHBondContact O-N 3.47Å; E564-D567 PolarHBondContact O-N 3.16Å; E564-D567 VanDerWaalsContact O-N 3.11Å; D567-V570 PolarHBondContact O-N 2.73Å; D567-A571 PolarHBondContact O-N 2.88Å; D567-P582 WeakPolarHBondContact OD1-CB 3.41Å; D567-P582 WeakPolarHBondContact OD1-CG 3.31Å; D567-H584 IonicContact OD1-CD2 2.74Å; D567-H584 IonicContact OD1-NE2 3.23Å; D567-H584 PolarHBondContact OD1-NE2 3.23Å; D567-H584 IonicContact OD2-CE1 3.43Å; D567-H584 PolarHBondContact OD2-CE1 2.82Å; D567-H584 IonicContact OD2-NE2 3.82Å; D567-H584 PolarHBondContact OD2-NE2 3.32Å
568	E	95.8	Very high	94.2	Very high	81 Å²	81	56 Å²	56	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-54.5	-58.3	169.4	-72	165	-139.1	0	0	111.4	E564 R565 V570 A571 D572	E564-E568 WeakPolarHBondContact O-CG 3.47Å; E564-E568 PolarHBondContact O-N 3.28Å; R565-E568 WeakPolarHBondContact CD-OE2 3.34Å; R565-E568 IonicContact CZ-OE2 2.71Å; R565-E568 IonicContact NE-OE2 3.68Å; R565-E568 IonicContact NH1-OE2 3.92Å; R565-E568 PolarHBondContact NH1-OE2 3.46Å; E568-V570 PolarHBondContact O-N 3.12Å; E568-A571 WeakPolarHBondContact O-CB 3.37Å; E568-A571 PolarHBondContact O-N 3.03Å; E568-D572 PolarHBondContact O-N 3.26Å
569	L	96.1	Very high	94	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-30.6	-177	-175.9	60.4	0	0	0	112.3	F540 L543 I558 V560 R565 L573 V608 Y628	F540-L569 HydrophobicContact CD2-CD1 3.8Å; F540-L569 HydrophobicContact CE2-CD1 4.01Å; L543-L569 HydrophobicContact CD2-CD1 3.89Å; L543-L569 HydrophobicContact CD2-CD2 4.25Å; L543-L569 HydrophobicContact CD2-CG 4.45Å; I558-L569 HydrophobicContact CG2-CD2 3.93Å; V560-L569 HydrophobicContact CG1-CD2 3.82Å; R565-L569 WeakPolarHBondContact O-CB 3.2Å; R565-L569 PolarHBondContact O-N 3.37Å; R565-L569 VanDerWaalsContact O-N 3.12Å; L569-L573 HydrophobicContact CD1-CD1 4.38Å; L569-L573 HydrophobicContact CD1-CG 4.36Å; L569-L573 HydrophobicContact CG-CD1 4.02Å; L569-L573 HydrophobicContact CG-CG 4.45Å; L569-L573 VanDerWaalsContact O-CB 3.26Å; L569-L573 WeakPolarHBondContact O-CB 3.46Å; L569-L573 WeakPolarHBondContact O-CD1 3.4Å; L569-L573 WeakPolarHBondContact O-CG 3.14Å; L569-L573 PolarHBondContact O-N 2.9Å; L569-V608 HydrophobicContact CD2-CG1 4.17Å; L569-Y628 HydrophobicContact CD1-CE2 4.11Å; L569-Y628 HydrophobicContact CD2-CD1 4.3Å; L569-Y628 HydrophobicContact CD2-CD2 4.03Å; L569-Y628 HydrophobicContact CD2-CE2 4.31Å; L569-Y628 HydrophobicContact CD2-CG 4.02Å
570	V	95.9	Very high	93.9	Very high	10 Å²	10	58.6 Å²	58.6	6%	0.061	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-43.6	171.5	160.6	0	0	0	0	111.7	A566 D567 E568 D572 L573 M574 P582 V608	A566-V570 WeakPolarHBondContact O-CB 3.39Å; A566-V570 VanDerWaalsContact O-CG2 3.22Å; A566-V570 WeakPolarHBondContact O-CG2 3.48Å; A566-V570 PolarHBondContact O-N 2.66Å; A566-V570 VanDerWaalsContact O-N 3.17Å; D567-V570 PolarHBondContact O-N 2.73Å; E568-V570 PolarHBondContact O-N 3.12Å; V570-D572 VanDerWaalsContact C-N 3.33Å; V570-D572 PolarHBondContact O-N 3.14Å; V570-L573 PolarHBondContact O-N 3.11Å; V570-M574 HydrophobicContact CG1-CE 3.8Å; V570-M574 HydrophobicContact CG1-CG 4.43Å; V570-M574 HydrophobicContact CG1-SD 4.09Å; V570-M574 WeakPolarHBondContact O-CB 3.46Å; V570-M574 VanDerWaalsContact O-CG 3.3Å; V570-M574 WeakPolarHBondContact O-CG 3.45Å; V570-M574 PolarHBondContact O-N 3.29Å; V570-P582 HydrophobicContact CG2-CB 3.98Å; V570-P582 HydrophobicContact CG2-CG 4.46Å; V570-V608 HydrophobicContact CG2-CB 3.74Å; V570-V608 HydrophobicContact CG2-CG1 4.46Å; V570-V608 HydrophobicContact CG2-CG2 3.66Å
571	A	95.5	Very high	93.8	Very high	47 Å²	47	58.9 Å²	58.9	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-41.4	177.9	0	0	0	0	0	111.7	D567 E568 M574 R575	D567-A571 PolarHBondContact O-N 2.88Å; E568-A571 WeakPolarHBondContact O-CB 3.37Å; E568-A571 PolarHBondContact O-N 3.03Å; A571-M574 PolarHBondContact O-N 2.96Å; A571-R575 WeakPolarHBondContact O-CB 3.44Å; A571-R575 PolarHBondContact O-N 2.94Å
572	D	95.5	Very high	93.9	Very high	55 Å²	55	56.4 Å²	56.4	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-71.5	-39.8	178.7	-66	-23.6	0	0	0	112.5	F540 E568 V570 R575 A576	F540-D572 HydrophobicContact CE2-CB 3.77Å; F540-D572 HydrophobicContact CZ-CB 3.84Å; E568-D572 PolarHBondContact O-N 3.26Å; V570-D572 VanDerWaalsContact C-N 3.33Å; V570-D572 PolarHBondContact O-N 3.14Å; D572-R575 PolarHBondContact O-N 2.85Å; D572-R575 IonicContact OD1-CZ 3.23Å; D572-R575 VanDerWaalsContact OD1-CZ 3.23Å; D572-R575 IonicContact OD1-NH1 2.67Å; D572-R575 PolarHBondContact OD1-NH1 3.15Å; D572-R575 IonicContact OD1-NH2 2.89Å; D572-R575 PolarHBondContact OD1-NH2 2.96Å; D572-A576 WeakPolarHBondContact O-CB 3.47Å; D572-A576 PolarHBondContact O-N 3.46Å
573	L	95.5	Very high	94	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-41.3	172.6	-76.7	169.7	0	0	0	112.3	F540 L543 L544 L547 I558 L569 V570 A576 G577 Y578 L606 V608	F540-L573 HydrophobicContact CE2-CD2 4.35Å; F540-L573 HydrophobicContact CE2-CG 4.42Å; L543-L573 HydrophobicContact CD2-CD1 4.34Å; L543-L573 HydrophobicContact CD2-CD2 4.06Å; L544-L573 HydrophobicContact CD2-CD2 4.21Å; L547-L573 HydrophobicContact CD1-CD2 3.49Å; L547-L573 VanDerWaalsContact CD1-CD2 3.49Å; I558-L573 HydrophobicContact CD1-CD1 3.74Å; L569-L573 HydrophobicContact CD1-CD1 4.38Å; L569-L573 HydrophobicContact CD1-CG 4.36Å; L569-L573 HydrophobicContact CG-CD1 4.02Å; L569-L573 HydrophobicContact CG-CG 4.45Å; L569-L573 VanDerWaalsContact O-CB 3.26Å; L569-L573 WeakPolarHBondContact O-CB 3.46Å; L569-L573 WeakPolarHBondContact O-CD1 3.4Å; L569-L573 WeakPolarHBondContact O-CG 3.14Å; L569-L573 PolarHBondContact O-N 2.9Å; V570-L573 PolarHBondContact O-N 3.11Å; L573-A576 CarbonylContact O-C 3.58Å; L573-A576 PolarHBondContact O-N 3.31Å; L573-G577 PolarHBondContact O-N 3.22Å; L573-Y578 HydrophobicContact CD2-CD2 4.47Å; L573-Y578 HydrophobicContact CD2-CG 4.41Å; L573-Y578 WeakPolarHBondContact O-CB 3.21Å; L573-Y578 PolarHBondContact O-N 3.41Å; L573-L606 HydrophobicContact CD1-CD2 4.09Å; L573-L606 HydrophobicContact CD2-CD2 4.4Å; L573-V608 HydrophobicContact CD1-CG2 3.83Å
574	M	93.9	Very high	93.9	Very high	102 Å²	102	47.8 Å²	47.8	50%	0.502	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-40.8	173.7	-75.5	-176.4	177.9	0	0	111.5	V570 A571 A576 G577 C580	V570-M574 HydrophobicContact CG1-CE 3.8Å; V570-M574 HydrophobicContact CG1-CG 4.43Å; V570-M574 HydrophobicContact CG1-SD 4.09Å; V570-M574 WeakPolarHBondContact O-CB 3.46Å; V570-M574 VanDerWaalsContact O-CG 3.3Å; V570-M574 WeakPolarHBondContact O-CG 3.45Å; V570-M574 PolarHBondContact O-N 3.29Å; A571-M574 PolarHBondContact O-N 2.96Å; M574-A576 PolarHBondContact O-N 2.95Å; M574-G577 PolarHBondContact O-N 3.42Å; M574-C580 WeakPolarHBondContact CE-O 3.37Å
575	R	94.7	Very high	93.5	Very high	184 Å²	184	46 Å²	46	69%	0.694	26%	0.262	S	S	*	.	H	α-helix	trans	-64.1	-31	174.8	-158.2	-174.1	-51.4	104.2	8.4	112.3	A571 D572 G577	A571-R575 WeakPolarHBondContact O-CB 3.44Å; A571-R575 PolarHBondContact O-N 2.94Å; D572-R575 PolarHBondContact O-N 2.85Å; D572-R575 IonicContact OD1-CZ 3.23Å; D572-R575 VanDerWaalsContact OD1-CZ 3.23Å; D572-R575 IonicContact OD1-NH1 2.67Å; D572-R575 PolarHBondContact OD1-NH1 3.15Å; D572-R575 IonicContact OD1-NH2 2.89Å; D572-R575 PolarHBondContact OD1-NH2 2.96Å; R575-G577 VanDerWaalsContact C-N 3.27Å; R575-G577 PolarHBondContact O-N 3.33Å
576	A	92.8	Very high	93.2	Very high	42 Å²	42	43.8 Å²	43.8	35%	0.347	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	5.8	172.6	0	0	0	0	0	114.3	F540 L544 D572 L573 M574 Y578	F540-A576 HydrophobicContact CZ-CB 4.48Å; L544-A576 HydrophobicContact CD2-CB 4.01Å; D572-A576 WeakPolarHBondContact O-CB 3.47Å; D572-A576 PolarHBondContact O-N 3.46Å; L573-A576 CarbonylContact O-C 3.58Å; L573-A576 PolarHBondContact O-N 3.31Å; M574-A576 PolarHBondContact O-N 2.95Å; A576-Y578 HydrophobicContact CB-CD2 3.89Å; A576-Y578 HydrophobicContact CB-CE2 4.15Å; A576-Y578 VanDerWaalsContact O-CD2 3.29Å; A576-Y578 WeakPolarHBondContact O-CD2 3.19Å; A576-Y578 WeakPolarHBondContact O-CE2 3.21Å
577	G	91	Very high	92.9	Very high	62 Å²	62	45.3 Å²	45.3	64%	0.639	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	7.2	176.1	0	0	0	0	0	115.8	L573 M574 R575 P579	L573-G577 PolarHBondContact O-N 3.22Å; M574-G577 PolarHBondContact O-N 3.42Å; R575-G577 VanDerWaalsContact C-N 3.27Å; R575-G577 PolarHBondContact O-N 3.33Å; G577-P579 VanDerWaalsContact O-CD 3.27Å; G577-P579 WeakPolarHBondContact O-CD 3.17Å
578	Y	91.5	Very high	92.5	Very high	43 Å²	43	46.4 Å²	46.4	17%	0.169	28%	0.284	C	S	.	.			trans	-90.3	112.9	-177.8	-68.7	-96.2	0	0	0	111.4	L544 L547 L573 A576 C580 L606	L544-Y578 HydrophobicContact CD2-CD2 3.99Å; L544-Y578 HydrophobicContact CD2-CE2 3.54Å; L547-Y578 HydrophobicContact CB-CD1 4.03Å; L547-Y578 HydrophobicContact CB-CE1 3.5Å; L547-Y578 VanDerWaalsContact CB-CE1 3.5Å; L547-Y578 HydrophobicContact CD1-CD1 4Å; L547-Y578 HydrophobicContact CD1-CE1 4.19Å; L547-Y578 HydrophobicContact CD1-CG 4.38Å; L547-Y578 HydrophobicContact CG-CE1 4.44Å; L573-Y578 HydrophobicContact CD2-CD2 4.47Å; L573-Y578 HydrophobicContact CD2-CG 4.41Å; L573-Y578 WeakPolarHBondContact O-CB 3.21Å; L573-Y578 PolarHBondContact O-N 3.41Å; A576-Y578 HydrophobicContact CB-CD2 3.89Å; A576-Y578 HydrophobicContact CB-CE2 4.15Å; A576-Y578 VanDerWaalsContact O-CD2 3.29Å; A576-Y578 WeakPolarHBondContact O-CD2 3.19Å; A576-Y578 WeakPolarHBondContact O-CE2 3.21Å; Y578-C580 PolarHBondContact O-N 2.92Å; Y578-L606 HydrophobicContact CD1-CD2 4.43Å
579	P	90.6	Very high	92	Very high	53 Å²	53	42.7 Å²	42.7	34%	0.344	27%	0.266	S	S	.	.			trans	-70.5	98.2	177.8	27.8	-34.9	0	0	0	111.1	M101 G577	M101-P579 HydrophobicContact CE-CB 4.09Å; G577-P579 VanDerWaalsContact O-CD 3.27Å; G577-P579 WeakPolarHBondContact O-CD 3.17Å
580	C	93.4	Very high	91.6	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	175	-178.4	66.5	0	0	0	0	112.7	M574 Y578 L606	M574-C580 WeakPolarHBondContact CE-O 3.37Å; Y578-C580 PolarHBondContact O-N 2.92Å; C580-L606 VanDerWaalsContact CA-O 3.24Å; C580-L606 WeakPolarHBondContact CA-O 3.31Å; C580-L606 HydrophobicContact CB-CB 3.92Å; C580-L606 HydrophobicContact CB-CD2 3.92Å; C580-L606 HydrophobicContact CB-CG 3.79Å
581	A	93.9	Very high	91.3	Very high	7 Å²	7	47.9 Å²	47.9	6%	0.058	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.8	170.1	0	0	0	0	0	111.6	T595 I604 L606 L607 V608	A581-T595 HydrophobicContact CB-CG2 3.65Å; A581-I604 HydrophobicContact CB-CD1 3.97Å; A581-I604 HydrophobicContact CB-CG2 4.45Å; A581-L606 PolarHBondContact N-O 3.28Å; A581-L607 HydrophobicContact CB-CD1 4.24Å; A581-L607 WeakPolarHBondContact O-CD1 3.23Å; A581-V608 PolarHBondContact O-N 3.04Å
582	P	94.6	Very high	90.9	Very high	27 Å²	27	46.5 Å²	46.5	18%	0.175	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	152.9	174.5	31.6	-28.3	0	0	0	111.3	D567 V570 I587 V608	D567-P582 WeakPolarHBondContact OD1-CB 3.41Å; D567-P582 WeakPolarHBondContact OD1-CG 3.31Å; V570-P582 HydrophobicContact CG2-CB 3.98Å; V570-P582 HydrophobicContact CG2-CG 4.46Å; P582-I587 HydrophobicContact CB-CD1 3.99Å; P582-I587 HydrophobicContact CG-CD1 3.89Å; P582-I587 WeakPolarHBondContact O-CD1 3.45Å; P582-V608 CarbonylContact C-O 3.48Å; P582-V608 WeakPolarHBondContact CA-O 3.46Å
583	L	92.6	Very high	90.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	99.9	170.5	-165.1	78.4	0	0	0	111	R592 T595 I596 L607 V608 A609 T610 A613	L583-R592 HydrophobicContact CD1-CB 4.08Å; L583-R592 HydrophobicContact CD1-CG 4.01Å; L583-T595 HydrophobicContact CD1-CG2 4.42Å; L583-I596 HydrophobicContact CD1-CD1 3.95Å; L583-I596 HydrophobicContact CD1-CG1 3.78Å; L583-I596 HydrophobicContact CD2-CD1 4Å; L583-I596 HydrophobicContact CD2-CG1 3.9Å; L583-L607 HydrophobicContact CB-CD1 4.24Å; L583-L607 HydrophobicContact CB-CD2 4.25Å; L583-L607 HydrophobicContact CB-CG 4.3Å; L583-L607 HydrophobicContact CD2-CD2 4.08Å; L583-V608 PolarHBondContact N-O 2.85Å; L583-A609 HydrophobicContact CB-CB 4.06Å; L583-A609 VanDerWaalsContact O-CA 3.23Å; L583-A609 WeakPolarHBondContact O-CA 3.25Å; L583-A609 WeakPolarHBondContact O-CB 3.23Å; L583-T610 PolarHBondContact O-N 2.89Å; L583-A613 HydrophobicContact CD2-CB 4.24Å; L583-A613 HydrophobicContact CG-CB 4.03Å; L583-A613 WeakPolarHBondContact O-CB 3.37Å
584	H	91.4	Very high	90.2	Very high	19 Å²	19	47.4 Å²	47.4	9%	0.088	28%	0.281	C	S	.	.	S	Bend	trans	-147	-170.4	-178.1	57.8	82.3	0	0	0	112.1	Q563 D567 G586 R592 T610	Q563-H584 HydrophobicContact CB-CB 3.95Å; D567-H584 IonicContact OD1-CD2 2.74Å; D567-H584 IonicContact OD1-NE2 3.23Å; D567-H584 PolarHBondContact OD1-NE2 3.23Å; D567-H584 IonicContact OD2-CE1 3.43Å; D567-H584 PolarHBondContact OD2-CE1 2.82Å; D567-H584 IonicContact OD2-NE2 3.82Å; D567-H584 PolarHBondContact OD2-NE2 3.32Å; H584-G586 PolarHBondContact ND1-N 2.65Å; H584-G586 VanDerWaalsContact ND1-N 3.19Å; H584-R592 PolarHBondContact O-NH1 2.99Å; H584-T610 HydrophobicContact CB-CG2 3.96Å
585	G	85.5	Confident	90.1	Very high	53 Å²	53	43.7 Å²	43.7	55%	0.546	26%	0.264	S	S	.	.	S	Bend	trans	-70.1	-33.9	-173.9	0	0	0	0	0	114.7
586	G	86.7	Confident	89.8	Confident	53 Å²	53	35.6 Å²	35.6	55%	0.546	23%	0.234	S	C	.	.	S	Bend	trans	-76.9	-16.1	-175.1	0	0	0	0	0	115.4	H584	H584-G586 PolarHBondContact ND1-N 2.65Å; H584-G586 VanDerWaalsContact ND1-N 3.19Å
587	I	88.6	Confident	89.6	Confident	31 Å²	31	36 Å²	36	16%	0.159	24%	0.235	C	C	.	.	S	Bend	trans	-76.2	135.6	179.4	-48.7	179.8	0	0	0	110.5	P582 D591 R592	P582-I587 HydrophobicContact CB-CD1 3.99Å; P582-I587 HydrophobicContact CG-CD1 3.89Å; P582-I587 WeakPolarHBondContact O-CD1 3.45Å; I587-D591 HydrophobicContact CG2-CB 3.77Å; I587-R592 HydrophobicContact CB-CG 3.73Å; I587-R592 HydrophobicContact CG2-CG 3.82Å; I587-R592 WeakPolarHBondContact O-CD 3.36Å
588	D	87.8	Confident	89.6	Confident	91 Å²	91	33.4 Å²	33.4	49%	0.487	21%	0.206	S	C	.	.			trans	-56.6	148.8	174.3	-179.3	68.3	0	0	0	112.4	F590 D591 R592	D588-F590 VanDerWaalsContact C-N 3.31Å; D588-F590 PolarHBondContact O-N 2.74Å; D588-F590 VanDerWaalsContact OD2-CB 3.25Å; D588-F590 WeakPolarHBondContact OD2-CB 3.47Å; D588-F590 PolarHBondContact OD2-N 2.82Å; D588-D591 PolarHBondContact O-N 2.71Å; D588-R592 WeakPolarHBondContact O-CG 3.33Å; D588-R592 PolarHBondContact O-N 3.27Å
589	Q	84.2	Confident	89.5	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-33.7	-176	-167.5	64.1	44	0	0	113	E390 D591 R592 D593	E390-Q589 PolarHBondContact OE1-NE2 3.33Å; Q589-D591 VanDerWaalsContact C-N 3.33Å; Q589-R592 PolarHBondContact O-N 2.78Å; Q589-D593 PolarHBondContact NE2-OD1 3.23Å; Q589-D593 VanDerWaalsContact O-CB 3.26Å; Q589-D593 WeakPolarHBondContact O-CB 3.17Å; Q589-D593 VanDerWaalsContact O-CG 3.23Å; Q589-D593 PolarHBondContact O-N 3.46Å
590	F	87.3	Confident	89.3	Confident	108 Å²	108	33.4 Å²	33.4	47%	0.474	20%	0.201	S	C	.	.	H	α-helix	trans	-66.1	-40.2	178.1	-177	-95.1	0	0	0	111.3	W111 D588 S594	W111-F590 HydrophobicContact CE3-CE1 4.42Å; W111-F590 HydrophobicContact CH2-CD1 4.13Å; W111-F590 HydrophobicContact CH2-CD2 4.41Å; W111-F590 HydrophobicContact CH2-CE1 4.1Å; W111-F590 HydrophobicContact CH2-CE2 4.38Å; W111-F590 HydrophobicContact CH2-CG 4.29Å; W111-F590 HydrophobicContact CH2-CZ 4.22Å; W111-F590 AromaticContact CZ3-CD1 3.87Å; W111-F590 HydrophobicContact CZ3-CD1 3.87Å; W111-F590 AromaticContact CZ3-CE1 3.91Å; W111-F590 HydrophobicContact CZ3-CE1 3.91Å; W111-F590 HydrophobicContact CZ3-CG 4.4Å; W111-F590 HydrophobicContact CZ3-CZ 4.47Å; D588-F590 VanDerWaalsContact C-N 3.31Å; D588-F590 PolarHBondContact O-N 2.74Å; D588-F590 VanDerWaalsContact OD2-CB 3.25Å; D588-F590 WeakPolarHBondContact OD2-CB 3.47Å; D588-F590 PolarHBondContact OD2-N 2.82Å; F590-S594 PolarHBondContact O-N 3.23Å
591	D	89.9	Confident	89	Confident	21 Å²	21	39 Å²	39	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-71.4	-42.4	177.5	-69.2	-58.1	0	0	0	111.2	R112 I587 D588 Q589 D593 S594 T595	R112-D591 IonicContact CZ-OD1 3.46Å; R112-D591 IonicContact CZ-OD2 2.66Å; R112-D591 VanDerWaalsContact CZ-OD2 3.28Å; R112-D591 IonicContact NE-OD1 2.65Å; R112-D591 IonicContact NE-OD2 3.22Å; R112-D591 PolarHBondContact NE-OD2 3.37Å; R112-D591 VanDerWaalsContact NE-OD2 3.07Å; R112-D591 IonicContact NH2-OD1 2.73Å; R112-D591 PolarHBondContact NH2-OD1 2.91Å; R112-D591 IonicContact NH2-OD2 2.71Å; R112-D591 PolarHBondContact NH2-OD2 2.82Å; I587-D591 HydrophobicContact CG2-CB 3.77Å; D588-D591 PolarHBondContact O-N 2.71Å; Q589-D591 VanDerWaalsContact C-N 3.33Å; D591-D593 PolarHBondContact O-N 3.37Å; D591-S594 PolarHBondContact O-N 2.69Å; D591-T595 PolarHBondContact O-N 2.8Å; D591-T595 PolarHBondContact O-OG1 2.88Å
592	R	87.8	Confident	88.6	Confident	18 Å²	18	40.5 Å²	40.5	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-56.2	-48.2	170	-72.5	170.7	55.2	136	-6.3	112	E390 L583 H584 I587 D588 Q589 S594 T595 I596	E390-R592 VanDerWaalsContact CD-NH2 3.29Å; E390-R592 IonicContact OE1-CZ 2.75Å; E390-R592 IonicContact OE1-NE 2.69Å; E390-R592 PolarHBondContact OE1-NE 2.87Å; E390-R592 IonicContact OE1-NH2 3.32Å; E390-R592 PolarHBondContact OE1-NH2 2.99Å; E390-R592 IonicContact OE2-NH2 2.14Å; E390-R592 PolarHBondContact OE2-NH2 3.45Å; L583-R592 HydrophobicContact CD1-CB 4.08Å; L583-R592 HydrophobicContact CD1-CG 4.01Å; H584-R592 PolarHBondContact O-NH1 2.99Å; I587-R592 HydrophobicContact CB-CG 3.73Å; I587-R592 HydrophobicContact CG2-CG 3.82Å; I587-R592 WeakPolarHBondContact O-CD 3.36Å; D588-R592 WeakPolarHBondContact O-CG 3.33Å; D588-R592 PolarHBondContact O-N 3.27Å; Q589-R592 PolarHBondContact O-N 2.78Å; R592-S594 VanDerWaalsContact C-N 3.3Å; R592-S594 PolarHBondContact O-N 3.06Å; R592-T595 PolarHBondContact O-N 2.74Å; R592-I596 WeakPolarHBondContact O-CB 3.41Å; R592-I596 VanDerWaalsContact O-CG1 3.22Å; R592-I596 WeakPolarHBondContact O-CG1 3.46Å; R592-I596 PolarHBondContact O-N 3.16Å
593	D	86.2	Confident	88.3	Confident	46 Å²	46	42.6 Å²	42.6	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-36.5	178.6	-77.2	-0.3	0	0	0	111.1	Q589 D591 S597	Q589-D593 PolarHBondContact NE2-OD1 3.23Å; Q589-D593 VanDerWaalsContact O-CB 3.26Å; Q589-D593 WeakPolarHBondContact O-CB 3.17Å; Q589-D593 VanDerWaalsContact O-CG 3.23Å; Q589-D593 PolarHBondContact O-N 3.46Å; D591-D593 PolarHBondContact O-N 3.37Å; D593-S597 WeakPolarHBondContact O-CB 3.48Å; D593-S597 PolarHBondContact O-N 2.93Å
594	S	90.5	Very high	88.2	Confident	28 Å²	28	43.9 Å²	43.9	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-53.3	172.2	-165.9	0	0	0	0	111.4	R104 F590 D591 R592 I596 S597 D598	R104-S594 PolarHBondContact NH2-OG 3.32Å; F590-S594 PolarHBondContact O-N 3.23Å; D591-S594 PolarHBondContact O-N 2.69Å; R592-S594 VanDerWaalsContact C-N 3.3Å; R592-S594 PolarHBondContact O-N 3.06Å; S594-I596 VanDerWaalsContact C-N 3.31Å; S594-I596 PolarHBondContact O-N 2.61Å; S594-S597 CarbonylContact O-C 3.52Å; S594-S597 WeakPolarHBondContact O-CA 3.35Å; S594-S597 VanDerWaalsContact O-CB 3.28Å; S594-S597 WeakPolarHBondContact O-CB 3.46Å; S594-S597 PolarHBondContact O-N 3.04Å; S594-D598 PolarHBondContact O-N 3.5Å; S594-D598 PolarHBondContact OG-OD2 3.27Å
595	T	91.5	Very high	88.1	Confident	23 Å²	23	45.7 Å²	45.7	14%	0.141	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-46.1	179.9	-65.4	0	0	0	0	111.5	A581 L583 D591 R592 S597 D598 F599 L607	A581-T595 HydrophobicContact CB-CG2 3.65Å; L583-T595 HydrophobicContact CD1-CG2 4.42Å; D591-T595 PolarHBondContact O-N 2.8Å; D591-T595 PolarHBondContact O-OG1 2.88Å; R592-T595 PolarHBondContact O-N 2.74Å; T595-S597 VanDerWaalsContact C-N 3.32Å; T595-S597 PolarHBondContact O-N 3Å; T595-D598 PolarHBondContact O-N 3.38Å; T595-F599 VanDerWaalsContact O-CB 3.29Å; T595-F599 WeakPolarHBondContact O-CB 3.5Å; T595-F599 PolarHBondContact O-N 2.94Å; T595-L607 HydrophobicContact CG2-CD1 3.45Å; T595-L607 VanDerWaalsContact CG2-CD1 3.45Å
596	I	88	Confident	88.5	Confident	14 Å²	14	43.2 Å²	43.2	7%	0.072	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-37.4	175.3	-67.5	169.4	0	0	0	111.3	E390 L583 R592 S594 K600 L617	E390-I596 HydrophobicContact CG-CD1 3.53Å; L583-I596 HydrophobicContact CD1-CD1 3.95Å; L583-I596 HydrophobicContact CD1-CG1 3.78Å; L583-I596 HydrophobicContact CD2-CD1 4Å; L583-I596 HydrophobicContact CD2-CG1 3.9Å; R592-I596 WeakPolarHBondContact O-CB 3.41Å; R592-I596 VanDerWaalsContact O-CG1 3.22Å; R592-I596 WeakPolarHBondContact O-CG1 3.46Å; R592-I596 PolarHBondContact O-N 3.16Å; S594-I596 VanDerWaalsContact C-N 3.31Å; S594-I596 PolarHBondContact O-N 2.61Å; I596-K600 HydrophobicContact CG2-CD 4.02Å; I596-K600 VanDerWaalsContact O-CB 3.23Å; I596-K600 WeakPolarHBondContact O-CB 3.27Å; I596-K600 WeakPolarHBondContact O-CG 3.42Å; I596-K600 PolarHBondContact O-N 3.17Å; I596-L617 HydrophobicContact CG1-CD1 4.48Å; I596-L617 HydrophobicContact CG2-CD1 3.95Å
597	S	88.4	Confident	88.9	Confident	51 Å²	51	40.7 Å²	40.7	36%	0.357	22%	0.219	S	C	.	.	H	α-helix	trans	-67.4	-42	176.8	-173.4	0	0	0	0	111.9	D593 S594 T595 K600 K601	D593-S597 WeakPolarHBondContact O-CB 3.48Å; D593-S597 PolarHBondContact O-N 2.93Å; S594-S597 CarbonylContact O-C 3.52Å; S594-S597 WeakPolarHBondContact O-CA 3.35Å; S594-S597 VanDerWaalsContact O-CB 3.28Å; S594-S597 WeakPolarHBondContact O-CB 3.46Å; S594-S597 PolarHBondContact O-N 3.04Å; T595-S597 VanDerWaalsContact C-N 3.32Å; T595-S597 PolarHBondContact O-N 3Å; S597-K600 PolarHBondContact O-N 2.91Å; S597-K601 WeakPolarHBondContact O-CD 3.46Å; S597-K601 WeakPolarHBondContact O-CE 3.11Å; S597-K601 VanDerWaalsContact O-CG 3.23Å; S597-K601 WeakPolarHBondContact O-CG 3.29Å; S597-K601 PolarHBondContact O-N 2.69Å; S597-K601 WeakPolarHBondContact OG-CE 3.32Å; S597-K601 PolarHBondContact OG-NZ 3.21Å
598	D	91.2	Very high	89.2	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.043	21%	0.211	C	C	.	.	H	α-helix	trans	-74.9	-39.3	-179.2	-65.9	-49.2	0	0	0	112.2	R104 S594 T595 K600 K601 G602 V603	R104-D598 IonicContact CZ-OD1 3.56Å; R104-D598 IonicContact CZ-OD2 3.31Å; R104-D598 VanDerWaalsContact CZ-OD2 3.31Å; R104-D598 VanDerWaalsContact NH1-CG 3.35Å; R104-D598 IonicContact NH1-OD1 2.98Å; R104-D598 PolarHBondContact NH1-OD1 2.58Å; R104-D598 IonicContact NH1-OD2 3.38Å; R104-D598 PolarHBondContact NH1-OD2 3.11Å; R104-D598 VanDerWaalsContact NH2-CG 3.3Å; R104-D598 IonicContact NH2-OD1 3.21Å; R104-D598 PolarHBondContact NH2-OD1 2.87Å; R104-D598 IonicContact NH2-OD2 2.66Å; R104-D598 PolarHBondContact NH2-OD2 2.88Å; S594-D598 PolarHBondContact O-N 3.5Å; S594-D598 PolarHBondContact OG-OD2 3.27Å; T595-D598 PolarHBondContact O-N 3.38Å; D598-K600 PolarHBondContact O-N 3.01Å; D598-K601 PolarHBondContact O-N 3.14Å; D598-K601 VanDerWaalsContact O-N 3.11Å; D598-K601 IonicContact OD1-NZ 2.65Å; D598-K601 PolarHBondContact OD1-NZ 3.12Å; D598-G602 PolarHBondContact O-N 3.01Å; D598-V603 HydrophobicContact CB-CB 4.07Å; D598-V603 HydrophobicContact CB-CG1 4.35Å; D598-V603 PolarHBondContact O-N 3.47Å
599	F	89.4	Confident	89.5	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-43.5	168.9	-171.9	-114.9	0	0	0	111.5	N555 V556 T595 K601 G602 I604 N605 L607 L617 V619 M622	N555-F599 HydrophobicContact CB-CE2 4Å; N555-F599 HydrophobicContact CB-CZ 3.84Å; N555-F599 WeakPolarHBondContact ND2-CD2 3.37Å; N555-F599 WeakPolarHBondContact ND2-CE2 3.49Å; N555-F599 PolarHBondContact ND2-O 3.4Å; V556-F599 WeakPolarHBondContact O-CE2 3.2Å; V556-F599 WeakPolarHBondContact O-CZ 3.28Å; T595-F599 VanDerWaalsContact O-CB 3.29Å; T595-F599 WeakPolarHBondContact O-CB 3.5Å; T595-F599 PolarHBondContact O-N 2.94Å; F599-K601 PolarHBondContact O-N 3.4Å; F599-G602 PolarHBondContact O-N 3.46Å; F599-G602 VanDerWaalsContact O-N 3.16Å; F599-I604 WeakPolarHBondContact CA-O 3.43Å; F599-I604 VanDerWaalsContact CD2-O 3.25Å; F599-I604 WeakPolarHBondContact CD2-O 3.48Å; F599-N605 WeakPolarHBondContact CE2-O 3.46Å; F599-L607 HydrophobicContact CD1-CB 4.49Å; F599-L607 HydrophobicContact CD1-CD2 4Å; F599-L607 HydrophobicContact CD2-CB 3.81Å; F599-L607 HydrophobicContact CE1-CB 4.25Å; F599-L607 HydrophobicContact CE1-CD2 4.09Å; F599-L607 HydrophobicContact CE2-CB 3.55Å; F599-L607 HydrophobicContact CG-CB 4.28Å; F599-L607 HydrophobicContact CG-CD2 4.28Å; F599-L607 HydrophobicContact CZ-CB 3.78Å; F599-L607 HydrophobicContact CZ-CD2 4.46Å; F599-L617 HydrophobicContact CE1-CD2 4.25Å; F599-V619 HydrophobicContact CD1-CG1 4.45Å; F599-V619 HydrophobicContact CD1-CG2 3.74Å; F599-V619 HydrophobicContact CE1-CB 4.4Å; F599-V619 HydrophobicContact CE1-CG1 4.19Å; F599-V619 HydrophobicContact CE1-CG2 3.78Å; F599-M622 HydrophobicContact CE1-CE 4.23Å
600	K	86.2	Confident	89.8	Confident	94 Å²	94	35.3 Å²	35.3	41%	0.409	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11	174.8	-75.9	178.9	-169.1	-154.2	0	114.8	I596 S597 D598 D618 V619	I596-K600 HydrophobicContact CG2-CD 4.02Å; I596-K600 VanDerWaalsContact O-CB 3.23Å; I596-K600 WeakPolarHBondContact O-CB 3.27Å; I596-K600 WeakPolarHBondContact O-CG 3.42Å; I596-K600 PolarHBondContact O-N 3.17Å; S597-K600 PolarHBondContact O-N 2.91Å; D598-K600 PolarHBondContact O-N 3.01Å; K600-D618 WeakPolarHBondContact CE-O 3.22Å; K600-D618 PolarHBondContact NZ-O 3.42Å; K600-V619 HydrophobicContact CG-CG2 3.81Å
601	K	87.5	Confident	89.7	Confident	124 Å²	124	30.9 Å²	30.9	54%	0.539	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-14.4	173.3	-70.9	165.1	-140.6	147.6	0	113.4	S597 D598 F599 V603	S597-K601 WeakPolarHBondContact O-CD 3.46Å; S597-K601 WeakPolarHBondContact O-CE 3.11Å; S597-K601 VanDerWaalsContact O-CG 3.23Å; S597-K601 WeakPolarHBondContact O-CG 3.29Å; S597-K601 PolarHBondContact O-N 2.69Å; S597-K601 WeakPolarHBondContact OG-CE 3.32Å; S597-K601 PolarHBondContact OG-NZ 3.21Å; D598-K601 PolarHBondContact O-N 3.14Å; D598-K601 VanDerWaalsContact O-N 3.11Å; D598-K601 IonicContact OD1-NZ 2.65Å; D598-K601 PolarHBondContact OD1-NZ 3.12Å; F599-K601 PolarHBondContact O-N 3.4Å; K601-V603 HydrophobicContact CB-CG2 3.85Å; K601-V603 HydrophobicContact CD-CG2 4.29Å
602	G	85.9	Confident	88.9	Confident	39 Å²	39	33.4 Å²	33.4	40%	0.402	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	29.5	-166.7	0	0	0	0	0	113.3	D598 F599	D598-G602 PolarHBondContact O-N 3.01Å; F599-G602 PolarHBondContact O-N 3.46Å; F599-G602 VanDerWaalsContact O-N 3.16Å
603	V	88.4	Confident	88.2	Confident	70 Å²	70	32.7 Å²	32.7	42%	0.424	19%	0.187	S	C	.	.	S	Bend	trans	-83.7	-28.3	169.8	174.3	0	0	0	0	110.6	D598 K601	D598-V603 HydrophobicContact CB-CB 4.07Å; D598-V603 HydrophobicContact CB-CG1 4.35Å; D598-V603 PolarHBondContact O-N 3.47Å; K601-V603 HydrophobicContact CB-CG2 3.85Å; K601-V603 HydrophobicContact CD-CG2 4.29Å
604	I	89.5	Confident	87.5	Confident	28 Å²	28	30.5 Å²	30.5	14%	0.144	18%	0.175	C	C	.	.			trans	-129.1	125.8	169.8	-57.6	179.8	0	0	0	105.2	A581 F599 L606	A581-I604 HydrophobicContact CB-CD1 3.97Å; A581-I604 HydrophobicContact CB-CG2 4.45Å; F599-I604 WeakPolarHBondContact CA-O 3.43Å; F599-I604 VanDerWaalsContact CD2-O 3.25Å; F599-I604 WeakPolarHBondContact CD2-O 3.48Å; I604-L606 VanDerWaalsContact CG2-O 3.26Å; I604-L606 WeakPolarHBondContact CG2-O 3.44Å
605	N	90.5	Very high	86.6	Confident	56 Å²	56	30 Å²	30	30%	0.299	17%	0.169	S	C	.	.			trans	-97.7	-15.3	-177.7	-70.2	-6	0	0	0	112.9	N555 V556 F599	N555-N605 CarbonylContact C-O 3.46Å; N555-N605 WeakPolarHBondContact CA-O 3.36Å; V556-N605 PolarHBondContact N-O 3.36Å; F599-N605 WeakPolarHBondContact CE2-O 3.46Å
606	L	93.3	Very high	85.3	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.2	-178.3	-174	56.1	0	0	0	111.1	L547 V556 I558 L573 Y578 C580 A581 I604	L547-L606 HydrophobicContact CD1-CD2 3.79Å; L547-L606 HydrophobicContact CD2-CD1 3.6Å; L547-L606 HydrophobicContact CD2-CD2 3.9Å; L547-L606 HydrophobicContact CD2-CG 4.42Å; V556-L606 HydrophobicContact CB-CD1 3.61Å; V556-L606 HydrophobicContact CG1-CD1 3.51Å; I558-L606 HydrophobicContact CD1-CD1 3.66Å; I558-L606 HydrophobicContact CD1-CD2 4.45Å; I558-L606 HydrophobicContact CD1-CG 4.28Å; I558-L606 HydrophobicContact CG1-CD1 4.01Å; L573-L606 HydrophobicContact CD1-CD2 4.09Å; L573-L606 HydrophobicContact CD2-CD2 4.4Å; Y578-L606 HydrophobicContact CD1-CD2 4.43Å; C580-L606 VanDerWaalsContact CA-O 3.24Å; C580-L606 WeakPolarHBondContact CA-O 3.31Å; C580-L606 HydrophobicContact CB-CB 3.92Å; C580-L606 HydrophobicContact CB-CD2 3.92Å; C580-L606 HydrophobicContact CB-CG 3.79Å; A581-L606 PolarHBondContact N-O 3.28Å; I604-L606 VanDerWaalsContact CG2-O 3.26Å; I604-L606 WeakPolarHBondContact CG2-O 3.44Å
607	L	93.9	Very high	84.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.2	178	-167.1	74.8	0	0	0	110.3	V556 L557 I558 A581 L583 T595 F599 L617	V556-L607 PolarHBondContact O-N 3.36Å; V556-L607 VanDerWaalsContact O-N 3.08Å; L557-L607 HydrophobicContact CD1-CB 4.1Å; L557-L607 HydrophobicContact CD1-CD2 3.97Å; L557-L607 HydrophobicContact CD1-CG 4.28Å; I558-L607 PolarHBondContact N-O 2.87Å; A581-L607 HydrophobicContact CB-CD1 4.24Å; A581-L607 WeakPolarHBondContact O-CD1 3.23Å; L583-L607 HydrophobicContact CB-CD1 4.24Å; L583-L607 HydrophobicContact CB-CD2 4.25Å; L583-L607 HydrophobicContact CB-CG 4.3Å; L583-L607 HydrophobicContact CD2-CD2 4.08Å; T595-L607 HydrophobicContact CG2-CD1 3.45Å; T595-L607 VanDerWaalsContact CG2-CD1 3.45Å; F599-L607 HydrophobicContact CD1-CB 4.49Å; F599-L607 HydrophobicContact CD1-CD2 4Å; F599-L607 HydrophobicContact CD2-CB 3.81Å; F599-L607 HydrophobicContact CE1-CB 4.25Å; F599-L607 HydrophobicContact CE1-CD2 4.09Å; F599-L607 HydrophobicContact CE2-CB 3.55Å; F599-L607 HydrophobicContact CG-CB 4.28Å; F599-L607 HydrophobicContact CG-CD2 4.28Å; F599-L607 HydrophobicContact CZ-CB 3.78Å; F599-L607 HydrophobicContact CZ-CD2 4.46Å; L607-L617 HydrophobicContact CD2-CD2 4.02Å
608	V	95.7	Very high	83.9	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.4	171.1	-177.2	0	0	0	0	107.9	I558 V560 A566 L569 V570 L573 A581 P582 L583	I558-V608 HydrophobicContact CB-CG2 4.3Å; I558-V608 HydrophobicContact CD1-CG2 3.97Å; V560-V608 HydrophobicContact CG1-CG1 4.28Å; V560-V608 HydrophobicContact CG2-CG1 4.13Å; A566-V608 HydrophobicContact CB-CG1 4.13Å; L569-V608 HydrophobicContact CD2-CG1 4.17Å; V570-V608 HydrophobicContact CG2-CB 3.74Å; V570-V608 HydrophobicContact CG2-CG1 4.46Å; V570-V608 HydrophobicContact CG2-CG2 3.66Å; L573-V608 HydrophobicContact CD1-CG2 3.83Å; A581-V608 PolarHBondContact O-N 3.04Å; P582-V608 CarbonylContact C-O 3.48Å; P582-V608 WeakPolarHBondContact CA-O 3.46Å; L583-V608 PolarHBondContact N-O 2.85Å
609	A	94.1	Very high	83.2	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.4	-174.2	0	0	0	0	0	113.4	L557 I558 F559 V560 L583 A614	L557-A609 HydrophobicContact CD1-CB 3.99Å; I558-A609 PolarHBondContact O-N 2.95Å; F559-A609 VanDerWaalsContact CA-O 3.32Å; F559-A609 WeakPolarHBondContact CA-O 3.44Å; V560-A609 PolarHBondContact N-O 3.49Å; L583-A609 HydrophobicContact CB-CB 4.06Å; L583-A609 VanDerWaalsContact O-CA 3.23Å; L583-A609 WeakPolarHBondContact O-CA 3.25Å; L583-A609 WeakPolarHBondContact O-CB 3.23Å; A609-A614 HydrophobicContact CB-CB 3.89Å
610	T	91.7	Very high	82.4	Confident	12 Å²	12	37.1 Å²	37.1	7%	0.074	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	155.7	164.2	61.4	0	0	0	0	110.7	V560 K562 L583 H584 V612 A613 A614	V560-T610 HydrophobicContact CG2-CG2 4.3Å; V560-T610 WeakPolarHBondContact O-CA 3.4Å; K562-T610 VanDerWaalsContact O-CG2 3.3Å; K562-T610 WeakPolarHBondContact O-CG2 3.33Å; L583-T610 PolarHBondContact O-N 2.89Å; H584-T610 HydrophobicContact CB-CG2 3.96Å; T610-V612 PolarHBondContact O-N 3.44Å; T610-V612 VanDerWaalsContact O-N 3.11Å; T610-A613 PolarHBondContact O-N 2.75Å; T610-A614 PolarHBondContact O-N 3.3Å
611	S	83.8	Confident	82	Confident	15 Å²	15	37.4 Å²	37.4	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-45.7	-45.9	176.6	-69.3	0	0	0	0	112.4	A613 R615 D636 R640	S611-A613 VanDerWaalsContact C-N 3.32Å; S611-A613 PolarHBondContact O-N 3.4Å; S611-R615 WeakPolarHBondContact O-CB 3.26Å; S611-R615 VanDerWaalsContact O-CD 3.22Å; S611-R615 WeakPolarHBondContact O-CD 3.38Å; S611-R615 WeakPolarHBondContact O-CG 3.35Å; S611-R615 PolarHBondContact O-N 3.2Å; S611-R615 VanDerWaalsContact O-N 3.15Å; S611-D636 WeakPolarHBondContact CB-OD2 3.38Å; S611-D636 PolarHBondContact OG-OD2 2.79Å; S611-R640 PolarHBondContact OG-NE 3.36Å; S611-R640 PolarHBondContact OG-NH2 2.83Å
612	V	73.9	Confident	81.9	Confident	74 Å²	74	31.8 Å²	31.8	45%	0.448	18%	0.178	S	C	.	.	H	α-helix	trans	-59.2	-38.1	-177	178.1	0	0	0	0	112.9	M471 T610	M471-V612 HydrophobicContact CE-CG1 3.77Å; T610-V612 PolarHBondContact O-N 3.44Å; T610-V612 VanDerWaalsContact O-N 3.11Å
613	A	72.6	Confident	82.1	Confident	2 Å²	2	31.7 Å²	31.7	2%	0.017	17%	0.168	C	C	.	.	H	α-helix	trans	-91.9	-28.2	-170.9	0	0	0	0	0	113.9	L583 T610 S611	L583-A613 HydrophobicContact CD2-CB 4.24Å; L583-A613 HydrophobicContact CG-CB 4.03Å; L583-A613 WeakPolarHBondContact O-CB 3.37Å; T610-A613 PolarHBondContact O-N 2.75Å; S611-A613 VanDerWaalsContact C-N 3.32Å; S611-A613 PolarHBondContact O-N 3.4Å
614	A	71	Confident	82.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-85.9	-8.2	171.2	0	0	0	0	0	113.6	L557 F559 A609 T610 G616 L617 R643	L557-A614 HydrophobicContact CD1-CB 4.37Å; L557-A614 HydrophobicContact CD2-CB 4.11Å; F559-A614 HydrophobicContact CE1-CB 3.57Å; F559-A614 HydrophobicContact CZ-CB 3.71Å; A609-A614 HydrophobicContact CB-CB 3.89Å; T610-A614 PolarHBondContact O-N 3.3Å; A614-G616 PolarHBondContact O-N 2.87Å; A614-L617 HydrophobicContact CB-CD2 4.41Å; A614-L617 WeakPolarHBondContact O-CB 3.4Å; A614-L617 PolarHBondContact O-N 3.42Å; A614-R643 PolarHBondContact O-NH1 3.12Å
615	R	72.6	Confident	82.5	Confident	18 Å²	18	27 Å²	27	7%	0.068	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	128	165.5	-81.7	162.2	170.9	-129.2	-7	110	T388 D470 S611 L617 D636	T388-R615 HydrophobicContact CG2-CB 4.07Å; T388-R615 PolarHBondContact OG1-O 3.25Å; T388-R615 VanDerWaalsContact OG1-O 3.09Å; D470-R615 IonicContact OD2-CZ 2.71Å; D470-R615 IonicContact OD2-NH1 2.85Å; D470-R615 PolarHBondContact OD2-NH1 2.94Å; D470-R615 IonicContact OD2-NH2 3.66Å; D470-R615 PolarHBondContact OD2-NH2 3.05Å; S611-R615 WeakPolarHBondContact O-CB 3.26Å; S611-R615 VanDerWaalsContact O-CD 3.22Å; S611-R615 WeakPolarHBondContact O-CD 3.38Å; S611-R615 WeakPolarHBondContact O-CG 3.35Å; S611-R615 PolarHBondContact O-N 3.2Å; S611-R615 VanDerWaalsContact O-N 3.15Å; R615-L617 VanDerWaalsContact C-N 3.3Å; R615-D636 IonicContact CZ-OD1 3.96Å; R615-D636 VanDerWaalsContact CZ-OD1 3.27Å; R615-D636 IonicContact NE-OD1 2.87Å; R615-D636 PolarHBondContact NE-OD1 3.11Å; R615-D636 IonicContact NH2-OD1 2.68Å; R615-D636 PolarHBondContact NH2-OD1 3.38Å
616	G	63.6	Low	82.8	Confident	6 Å²	6	24.4 Å²	24.4	6%	0.062	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-8.9	-170.7	0	0	0	0	0	115.6	A614 D618	A614-G616 PolarHBondContact O-N 2.87Å; G616-D618 PolarHBondContact O-N 2.91Å
617	L	75.2	Confident	82.9	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.016	13%	0.126	C	C	.	.			trans	-66	131.8	177.9	-171.8	62.3	0	0	0	111.3	L557 I596 F599 L607 A614 R615 V619 M622 R643 R646	L557-L617 HydrophobicContact CD2-CD2 4.39Å; I596-L617 HydrophobicContact CG1-CD1 4.48Å; I596-L617 HydrophobicContact CG2-CD1 3.95Å; F599-L617 HydrophobicContact CE1-CD2 4.25Å; L607-L617 HydrophobicContact CD2-CD2 4.02Å; A614-L617 HydrophobicContact CB-CD2 4.41Å; A614-L617 WeakPolarHBondContact O-CB 3.4Å; A614-L617 PolarHBondContact O-N 3.42Å; R615-L617 VanDerWaalsContact C-N 3.3Å; L617-V619 HydrophobicContact CD1-CG2 3.98Å; L617-V619 HydrophobicContact CD2-CG2 4.36Å; L617-V619 HydrophobicContact CG-CG2 3.96Å; L617-M622 HydrophobicContact CD2-CE 4.35Å; L617-R643 PolarHBondContact O-NH1 2.65Å; L617-R646 PolarHBondContact O-NH1 3.38Å; L617-R646 VanDerWaalsContact O-NH1 3.08Å
618	D	72.3	Confident	83.1	Confident	59 Å²	59	25.5 Å²	25.5	32%	0.316	13%	0.131	S	C	.	.			trans	-134	113.6	177.7	-168.8	37.4	0	0	0	110.6	Q394 K600 G616 R646	Q394-D618 PolarHBondContact NE2-OD2 2.77Å; Q394-D618 VanDerWaalsContact OE1-CB 3.22Å; K600-D618 WeakPolarHBondContact CE-O 3.22Å; K600-D618 PolarHBondContact NZ-O 3.42Å; G616-D618 PolarHBondContact O-N 2.91Å; D618-R646 IonicContact OD1-CZ 3.9Å; D618-R646 IonicContact OD1-NH1 3.66Å; D618-R646 PolarHBondContact OD1-NH1 3.46Å
619	V	76.9	Confident	83	Confident	8 Å²	8	26.3 Å²	26.3	5%	0.048	14%	0.135	C	C	.	.			trans	-139.5	125.1	-173.5	174.3	0	0	0	0	105.4	N555 F599 K600 L617 M622	N555-V619 HydrophobicContact CB-CG1 4.36Å; F599-V619 HydrophobicContact CD1-CG1 4.45Å; F599-V619 HydrophobicContact CD1-CG2 3.74Å; F599-V619 HydrophobicContact CE1-CB 4.4Å; F599-V619 HydrophobicContact CE1-CG1 4.19Å; F599-V619 HydrophobicContact CE1-CG2 3.78Å; K600-V619 HydrophobicContact CG-CG2 3.81Å; L617-V619 HydrophobicContact CD1-CG2 3.98Å; L617-V619 HydrophobicContact CD2-CG2 4.36Å; L617-V619 HydrophobicContact CG-CG2 3.96Å; V619-M622 HydrophobicContact CB-CE 3.89Å; V619-M622 HydrophobicContact CG1-CB 4.45Å; V619-M622 HydrophobicContact CG2-CE 4.22Å
620	K	71.5	Confident	82.8	Confident	170 Å²	170	26.6 Å²	26.6	74%	0.739	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-33.5	-169.4	-67.7	-173.5	173.3	-168.8	0	114	N649	K620-N649 PolarHBondContact O-ND2 2.94Å; K620-N649 VanDerWaalsContact O-ND2 3.13Å
621	N	77.5	Confident	82.7	Confident	100 Å²	100	26.2 Å²	26.2	54%	0.535	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	36.4	-170.1	-61.4	23.6	0	0	0	110.8	N555 I623	N555-N621 WeakPolarHBondContact CB-O 3.24Å; N555-N621 PolarHBondContact N-O 2.87Å; N555-N621 VanDerWaalsContact N-O 3.08Å; N621-I623 PolarHBondContact O-N 3.36Å
622	M	86.6	Confident	82.7	Confident	7 Å²	7	30.1 Å²	30.1	3%	0.034	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	109.3	174	-165.9	179.2	-50.5	0	0	109.1	N555 L557 F599 L617 V619 V625 R643 C644	N555-M622 WeakPolarHBondContact O-CA 3.45Å; L557-M622 HydrophobicContact CB-CE 4.24Å; L557-M622 HydrophobicContact CB-CG 4.42Å; L557-M622 HydrophobicContact CB-SD 3.56Å; L557-M622 VanDerWaalsContact CB-SD 3.56Å; L557-M622 HydrophobicContact CD2-CE 3.87Å; L557-M622 HydrophobicContact CD2-SD 3.67Å; L557-M622 HydrophobicContact CG-SD 4.28Å; F599-M622 HydrophobicContact CE1-CE 4.23Å; L617-M622 HydrophobicContact CD2-CE 4.35Å; V619-M622 HydrophobicContact CB-CE 3.89Å; V619-M622 HydrophobicContact CG1-CB 4.45Å; V619-M622 HydrophobicContact CG2-CE 4.22Å; M622-V625 HydrophobicContact SD-CG2 3.96Å; M622-R643 HydrophobicContact CE-CB 4Å; M622-R643 HydrophobicContact SD-CB 3.37Å; M622-R643 WeakPolarHBondContact SD-CB 3.48Å; M622-C644 HydrophobicContact CG-CB 4.47Å; M622-C644 WeakPolarHBondContact O-CA 3.44Å; M622-C644 WeakPolarHBondContact O-CB 3.24Å
623	I	90	Very high	83.1	Confident	36 Å²	36	31 Å²	31	19%	0.185	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-46.1	-173.2	-62.1	-171.1	0	0	0	110	V553 N555 N621 G651 Y652	V553-I623 HydrophobicContact CB-CD1 4.14Å; V553-I623 HydrophobicContact CG1-CD1 3.68Å; V553-I623 WeakPolarHBondContact O-CD1 3.34Å; N555-I623 PolarHBondContact O-N 3.31Å; N621-I623 PolarHBondContact O-N 3.36Å; I623-G651 CarbonylContact O-C 3.55Å; I623-G651 VanDerWaalsContact O-CA 3.27Å; I623-G651 WeakPolarHBondContact O-CA 3.45Å; I623-Y652 HydrophobicContact CG2-CD2 4.06Å; I623-Y652 HydrophobicContact CG2-CE2 4.43Å; I623-Y652 PolarHBondContact O-N 2.75Å
624	M	92.6	Very high	83.7	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.6	-179.5	-174.8	166.2	70.6	0	0	111.8	L546 L547 Y550 N555 V556 L557 V626 Y652 F654	L546-M624 HydrophobicContact CB-CE 4.3Å; L546-M624 HydrophobicContact CB-SD 4.23Å; L547-M624 HydrophobicContact CD2-CE 3.91Å; Y550-M624 HydrophobicContact CD2-CE 4.39Å; Y550-M624 HydrophobicContact CD2-SD 3.52Å; Y550-M624 VanDerWaalsContact CD2-SD 3.52Å; Y550-M624 HydrophobicContact CE2-SD 4.34Å; Y550-M624 HydrophobicContact CG-CE 4.42Å; Y550-M624 HydrophobicContact CG-SD 3.76Å; N555-M624 PolarHBondContact O-N 3.15Å; V556-M624 WeakPolarHBondContact CA-O 3.42Å; V556-M624 HydrophobicContact CB-CE 4.36Å; V556-M624 HydrophobicContact CG1-CB 4.18Å; V556-M624 HydrophobicContact CG1-CE 3.46Å; V556-M624 VanDerWaalsContact CG1-CE 3.46Å; V556-M624 HydrophobicContact CG1-CG 4.33Å; V556-M624 HydrophobicContact CG2-CB 4.19Å; V556-M624 HydrophobicContact CG2-CE 3.93Å; L557-M624 PolarHBondContact N-O 3.04Å; M624-V626 HydrophobicContact CE-CG2 3.88Å; M624-V626 HydrophobicContact CG-CG2 3.86Å; M624-V626 HydrophobicContact SD-CG2 3.94Å; M624-Y652 WeakPolarHBondContact CA-O 3.4Å; M624-F654 HydrophobicContact CG-CD2 3.73Å; M624-F654 HydrophobicContact CG-CE2 3.94Å; M624-F654 HydrophobicContact SD-CD2 3.46Å; M624-F654 WeakPolarHBondContact SD-CD2 3.28Å; M624-F654 HydrophobicContact SD-CE2 3.47Å; M624-F654 WeakPolarHBondContact SD-CE2 3.15Å
625	V	93.8	Very high	84.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.9	162.3	177.9	0	0	0	0	107.9	L557 F559 M622 R643 C644 Y652 A653 F654	L557-V625 CarbonylContact O-C 3.5Å; L557-V625 WeakPolarHBondContact O-CA 3.32Å; F559-V625 HydrophobicContact CD2-CG1 3.75Å; F559-V625 HydrophobicContact CE2-CG1 3.81Å; M622-V625 HydrophobicContact SD-CG2 3.96Å; V625-R643 HydrophobicContact CG2-CB 3.99Å; V625-C644 HydrophobicContact CG2-CB 3.98Å; V625-Y652 PolarHBondContact N-O 3.3Å; V625-A653 WeakPolarHBondContact O-CA 2.97Å; V625-F654 PolarHBondContact O-N 2.97Å
626	V	96	Very high	84.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.4	173.3	-173	0	0	0	0	109.2	L543 L557 I558 F559 M624 Y628 F654 F656	L543-V626 HydrophobicContact CD1-CB 4.36Å; L543-V626 HydrophobicContact CD1-CG1 3.98Å; L543-V626 HydrophobicContact CD1-CG2 4.26Å; L557-V626 PolarHBondContact O-N 3.41Å; I558-V626 CarbonylContact C-O 3.58Å; I558-V626 WeakPolarHBondContact CA-O 3.36Å; I558-V626 HydrophobicContact CG1-CB 4.28Å; F559-V626 PolarHBondContact N-O 3.19Å; M624-V626 HydrophobicContact CE-CG2 3.88Å; M624-V626 HydrophobicContact CG-CG2 3.86Å; M624-V626 HydrophobicContact SD-CG2 3.94Å; V626-Y628 PolarHBondContact O-N 2.84Å; V626-F654 CarbonylContact C-O 3.56Å; V626-F654 WeakPolarHBondContact CA-O 3.41Å; V626-F654 HydrophobicContact CG1-CB 4.4Å; V626-F654 HydrophobicContact CG2-CB 4.45Å; V626-F656 HydrophobicContact CG1-CE1 4.48Å; V626-F656 HydrophobicContact CG1-CE2 4.15Å; V626-F656 HydrophobicContact CG1-CZ 4.03Å
627	N	96.3	Very high	85.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	93.9	164.4	-62.3	-53.6	0	0	0	107.5	D629 R640 F654 T655 F656	N627-D629 VanDerWaalsContact C-N 3.35Å; N627-R640 WeakPolarHBondContact OD1-CD 3.47Å; N627-R640 PolarHBondContact OD1-NH1 2.88Å; N627-F654 PolarHBondContact N-O 2.66Å; N627-T655 HydrophobicContact CB-CG2 3.89Å; N627-T655 PolarHBondContact ND2-OG1 3.13Å; N627-F656 PolarHBondContact O-N 3.16Å
628	Y	96.3	Very high	86.3	Confident	24 Å²	24	33.7 Å²	33.7	9%	0.094	17%	0.166	C	C	.	.	S	Bend	trans	-69	-39.9	175.5	-170	-88.5	0	0	0	110.5	K539 F540 L543 F559 V560 L569 V626 F656	K539-Y628 HydrophobicContact CB-CD2 4.37Å; K539-Y628 HydrophobicContact CB-CE1 4.12Å; K539-Y628 HydrophobicContact CB-CE2 3.66Å; K539-Y628 WeakPolarHBondContact CB-OH 3.43Å; K539-Y628 HydrophobicContact CD-CD1 4.08Å; K539-Y628 HydrophobicContact CD-CE1 3.73Å; K539-Y628 WeakPolarHBondContact CD-O 3.35Å; K539-Y628 VanDerWaalsContact CE-O 3.22Å; K539-Y628 WeakPolarHBondContact CE-O 3.28Å; K539-Y628 PolarHBondContact NZ-O 2.85Å; F540-Y628 PolarHBondContact N-OH 3.23Å; L543-Y628 HydrophobicContact CB-CD2 4.41Å; L543-Y628 HydrophobicContact CB-CE2 4.26Å; L543-Y628 HydrophobicContact CD2-CD2 3.95Å; L543-Y628 HydrophobicContact CD2-CE2 3.98Å; F559-Y628 WeakPolarHBondContact O-CB 3.23Å; F559-Y628 PolarHBondContact O-N 3Å; V560-Y628 HydrophobicContact CG1-CD1 4.26Å; V560-Y628 HydrophobicContact CG1-CG 4.48Å; L569-Y628 HydrophobicContact CD1-CE2 4.11Å; L569-Y628 HydrophobicContact CD2-CD1 4.3Å; L569-Y628 HydrophobicContact CD2-CD2 4.03Å; L569-Y628 HydrophobicContact CD2-CE2 4.31Å; L569-Y628 HydrophobicContact CD2-CG 4.02Å; V626-Y628 PolarHBondContact O-N 2.84Å; Y628-F656 AromaticContact CD2-CD2 3.97Å; Y628-F656 HydrophobicContact CD2-CD2 3.97Å; Y628-F656 AromaticContact CD2-CE2 3.82Å; Y628-F656 HydrophobicContact CD2-CE2 3.82Å; Y628-F656 HydrophobicContact CE2-CD2 4.47Å; Y628-F656 HydrophobicContact CE2-CE2 4.25Å; Y628-F656 HydrophobicContact CG-CD2 4.38Å
629	D	93.8	Very high	86.6	Confident	18 Å²	18	31.1 Å²	31.1	10%	0.096	15%	0.152	C	C	.	.	S	Bend	trans	-105.9	126	164.6	-60.1	-40.6	0	0	0	109.6	K539 F559 V560 D561 N627 R640	K539-D629 IonicContact NZ-OD1 3.94Å; K539-D629 PolarHBondContact NZ-OD1 2.83Å; F559-D629 PolarHBondContact O-N 2.9Å; V560-D629 WeakPolarHBondContact CA-OD2 3.37Å; V560-D629 WeakPolarHBondContact CB-OD2 3.02Å; D561-D629 HydrophobicContact CB-CB 4.15Å; D561-D629 PolarHBondContact N-OD2 3.49Å; N627-D629 VanDerWaalsContact C-N 3.35Å; D629-R640 PolarHBondContact O-NH1 3.13Å
630	C	91.6	Very high	87.2	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.034	15%	0.15	C	C	.	.			trans	-59.1	128.7	175.2	-172.2	0	0	0	0	110.5	L657	C630-L657 HydrophobicContact CB-CD1 3.96Å
631	P	88.7	Confident	87.9	Confident	5 Å²	5	22.8 Å²	22.8	3%	0.032	12%	0.115	C	C	.	.			trans	-62.9	145.1	177.7	24.1	-33.2	0	0	0	112	H633 D636 Y637 N665	P631-H633 PolarHBondContact O-N 3.19Å; P631-D636 HydrophobicContact CB-CB 4.23Å; P631-Y637 HydrophobicContact CG-CD2 3.9Å; P631-Y637 HydrophobicContact CG-CG 4.27Å; P631-N665 PolarHBondContact O-ND2 2.89Å
632	N	84.9	Confident	88.2	Confident	96 Å²	96	18.4 Å²	18.4	51%	0.513	9%	0.093	S	C	.	.	S	Bend	trans	-69	-16.7	-178.8	-68.5	-53.7	0	0	0	114.5	D561	D561-N632 PolarHBondContact OD1-ND2 3Å
633	H	81.5	Confident	88.1	Confident	92 Å²	92	18.3 Å²	18.3	43%	0.426	9%	0.092	S	C	.	.	S	Bend	trans	-141.6	138.7	-175.1	-57.4	-25.8	0	0	0	112	P631 E635 D636 Y637	P631-H633 PolarHBondContact O-N 3.19Å; H633-E635 VanDerWaalsContact C-N 3.27Å; H633-E635 PolarHBondContact O-N 2.76Å; H633-D636 PolarHBondContact O-N 2.98Å; H633-Y637 PolarHBondContact O-N 2.87Å; H633-Y637 VanDerWaalsContact O-N 3.12Å
634	Y	84.2	Confident	87.9	Confident	9 Å²	9	16.7 Å²	16.7	4%	0.035	8%	0.084	C	C	.	.	H	α-helix	trans	-44	-45.5	170	-172.6	-104	0	0	0	114.3	S521 D636 Y637 V638 D668 K671 A672 L675	S521-Y634 WeakPolarHBondContact O-CE1 3.45Å; S521-Y634 VanDerWaalsContact O-CZ 3.31Å; S521-Y634 PolarHBondContact O-OH 3.17Å; Y634-D636 VanDerWaalsContact C-N 3.32Å; Y634-D636 PolarHBondContact O-N 3.47Å; Y634-Y637 WeakPolarHBondContact O-CB 3.41Å; Y634-Y637 PolarHBondContact O-N 3.42Å; Y634-V638 HydrophobicContact CD1-CG2 4.34Å; Y634-V638 HydrophobicContact CE1-CG2 3.91Å; Y634-V638 HydrophobicContact CE2-CG2 4.45Å; Y634-V638 WeakPolarHBondContact O-CG2 3.31Å; Y634-V638 PolarHBondContact O-N 2.75Å; Y634-V638 VanDerWaalsContact O-N 3.07Å; Y634-D668 WeakPolarHBondContact CB-OD2 3.39Å; Y634-D668 HydrophobicContact CD2-CB 4.06Å; Y634-D668 VanDerWaalsContact CD2-O 3.25Å; Y634-D668 WeakPolarHBondContact CD2-O 3.37Å; Y634-D668 WeakPolarHBondContact CE2-O 3Å; Y634-D668 PolarHBondContact N-OD2 3.1Å; Y634-D668 VanDerWaalsContact N-OD2 3.12Å; Y634-K671 HydrophobicContact CE2-CB 4.49Å; Y634-K671 HydrophobicContact CE2-CD 4.48Å; Y634-K671 HydrophobicContact CE2-CG 4.21Å; Y634-A672 HydrophobicContact CE2-CB 3.83Å; Y634-L675 WeakPolarHBondContact OH-CD1 3.42Å
635	E	80.3	Confident	87.3	Confident	43 Å²	43	17 Å²	17	20%	0.201	9%	0.087	C	C	.	.	H	α-helix	trans	-65	-30.4	-179.9	-72.6	79.3	-175	0	0	113.6	T496 H633 H639	T496-E635 HydrophobicContact CG2-CB 4.02Å; T496-E635 HydrophobicContact CG2-CG 3.71Å; H633-E635 VanDerWaalsContact C-N 3.27Å; H633-E635 PolarHBondContact O-N 2.76Å; E635-H639 WeakPolarHBondContact O-CB 3.36Å; E635-H639 VanDerWaalsContact O-CG 3.25Å; E635-H639 PolarHBondContact O-N 2.69Å; E635-H639 PolarHBondContact O-ND1 2.98Å
636	D	83.6	Confident	86.4	Confident	15 Å²	15	18.4 Å²	18.4	8%	0.08	9%	0.093	C	C	.	.	H	α-helix	trans	-78.6	-37.4	173.7	-159.3	63.8	0	0	0	111	S611 R615 P631 H633 Y634 V638 H639 R640	S611-D636 WeakPolarHBondContact CB-OD2 3.38Å; S611-D636 PolarHBondContact OG-OD2 2.79Å; R615-D636 IonicContact CZ-OD1 3.96Å; R615-D636 VanDerWaalsContact CZ-OD1 3.27Å; R615-D636 IonicContact NE-OD1 2.87Å; R615-D636 PolarHBondContact NE-OD1 3.11Å; R615-D636 IonicContact NH2-OD1 2.68Å; R615-D636 PolarHBondContact NH2-OD1 3.38Å; P631-D636 HydrophobicContact CB-CB 4.23Å; H633-D636 PolarHBondContact O-N 2.98Å; Y634-D636 VanDerWaalsContact C-N 3.32Å; Y634-D636 PolarHBondContact O-N 3.47Å; D636-V638 PolarHBondContact O-N 3.32Å; D636-H639 CarbonylContact O-C 3.56Å; D636-H639 WeakPolarHBondContact O-CA 3.4Å; D636-H639 WeakPolarHBondContact O-CB 3.42Å; D636-H639 PolarHBondContact O-N 3.25Å; D636-R640 WeakPolarHBondContact O-CG 3.4Å; D636-R640 PolarHBondContact O-N 2.92Å; D636-R640 IonicContact OD2-CZ 3.77Å; D636-R640 IonicContact OD2-NE 3.62Å; D636-R640 PolarHBondContact OD2-NE 3.42Å; D636-R640 IonicContact OD2-NH2 2.73Å
637	Y	88.5	Confident	85	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-51.9	-54.8	172.1	179.3	-97.7	0	0	0	112	V523 Q529 P631 H633 Y634 H639 R640 V641 T655 L669 A672	V523-Y637 HydrophobicContact CG2-CD1 4.44Å; V523-Y637 HydrophobicContact CG2-CE1 4.07Å; Q529-Y637 VanDerWaalsContact OE1-CE1 3.28Å; Q529-Y637 PolarHBondContact OE1-OH 3.01Å; P631-Y637 HydrophobicContact CG-CD2 3.9Å; P631-Y637 HydrophobicContact CG-CG 4.27Å; H633-Y637 PolarHBondContact O-N 2.87Å; H633-Y637 VanDerWaalsContact O-N 3.12Å; Y634-Y637 WeakPolarHBondContact O-CB 3.41Å; Y634-Y637 PolarHBondContact O-N 3.42Å; Y637-H639 PolarHBondContact O-N 2.88Å; Y637-H639 VanDerWaalsContact O-N 3.16Å; Y637-R640 PolarHBondContact O-N 3.19Å; Y637-R640 VanDerWaalsContact O-N 3.12Å; Y637-V641 HydrophobicContact CD1-CG2 4.2Å; Y637-V641 HydrophobicContact CD2-CG2 4.08Å; Y637-V641 HydrophobicContact CE1-CG2 3.82Å; Y637-V641 HydrophobicContact CE2-CG2 3.7Å; Y637-V641 HydrophobicContact CG-CG2 4.32Å; Y637-V641 WeakPolarHBondContact O-CB 3.43Å; Y637-V641 WeakPolarHBondContact O-CG2 3.43Å; Y637-V641 PolarHBondContact O-N 2.77Å; Y637-T655 HydrophobicContact CE2-CG2 4.34Å; Y637-T655 WeakPolarHBondContact CE2-OG1 3.28Å; Y637-L669 HydrophobicContact CD1-CD2 4.45Å; Y637-L669 HydrophobicContact CD2-CD2 3.46Å; Y637-L669 VanDerWaalsContact CD2-CD2 3.46Å; Y637-L669 HydrophobicContact CE1-CD2 4.25Å; Y637-L669 HydrophobicContact CE2-CD2 3.19Å; Y637-L669 HydrophobicContact CG-CD2 4.1Å; Y637-A672 HydrophobicContact CD1-CB 3.95Å; Y637-A672 HydrophobicContact CE1-CB 3.5Å; Y637-A672 VanDerWaalsContact CE1-CB 3.5Å
638	V	84.5	Confident	83.8	Confident	16 Å²	16	26.6 Å²	26.6	10%	0.097	17%	0.166	C	C	.	.	H	α-helix	trans	-58.6	-31.8	177.7	178.5	0	0	0	0	111.6	V523 Y634 D636 G642	V523-V638 HydrophobicContact CG2-CG2 3.99Å; Y634-V638 HydrophobicContact CD1-CG2 4.34Å; Y634-V638 HydrophobicContact CE1-CG2 3.91Å; Y634-V638 HydrophobicContact CE2-CG2 4.45Å; Y634-V638 WeakPolarHBondContact O-CG2 3.31Å; Y634-V638 PolarHBondContact O-N 2.75Å; Y634-V638 VanDerWaalsContact O-N 3.07Å; D636-V638 PolarHBondContact O-N 3.32Å; V638-G642 PolarHBondContact O-N 2.82Å
639	H	80.3	Confident	83.1	Confident	5 Å²	5	29.2 Å²	29.2	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-80.2	-27	177.9	-78.1	144.8	0	0	0	115.8	D466 R467 A495 E635 D636 Y637 R643	D466-H639 IonicContact OD2-CE1 3.86Å; D466-H639 PolarHBondContact OD2-CE1 3.43Å; D466-H639 IonicContact OD2-NE2 3.79Å; R467-H639 PolarHBondContact NE-CE1 3.4Å; R467-H639 PolarHBondContact NE-ND1 3.5Å; R467-H639 PolarHBondContact NH2-CD2 2.83Å; R467-H639 PolarHBondContact NH2-NE2 3.43Å; A495-H639 WeakPolarHBondContact CB-NE2 3.18Å; E635-H639 WeakPolarHBondContact O-CB 3.36Å; E635-H639 VanDerWaalsContact O-CG 3.25Å; E635-H639 PolarHBondContact O-N 2.69Å; E635-H639 PolarHBondContact O-ND1 2.98Å; D636-H639 CarbonylContact O-C 3.56Å; D636-H639 WeakPolarHBondContact O-CA 3.4Å; D636-H639 WeakPolarHBondContact O-CB 3.42Å; D636-H639 PolarHBondContact O-N 3.25Å; Y637-H639 PolarHBondContact O-N 2.88Å; Y637-H639 VanDerWaalsContact O-N 3.16Å; H639-R643 PolarHBondContact O-NE 3.09Å; H639-R643 PolarHBondContact O-NH2 3.34Å
640	R	87.9	Confident	82.7	Confident	3 Å²	3	35.5 Å²	35.5	1%	0.011	21%	0.208	C	C	.	.	H	α-helix	trans	-77.9	-51	172.4	-67.8	-173.7	-177	-170	-2	110.4	F559 S611 N627 D629 D636 Y637 G642 R643	F559-R640 HydrophobicContact CD1-CG 3.79Å; F559-R640 HydrophobicContact CD2-CB 3.83Å; F559-R640 HydrophobicContact CD2-CG 3.94Å; F559-R640 HydrophobicContact CE1-CB 4.36Å; F559-R640 HydrophobicContact CE1-CG 3.69Å; F559-R640 HydrophobicContact CE2-CB 3.6Å; F559-R640 HydrophobicContact CE2-CG 3.85Å; F559-R640 HydrophobicContact CG-CB 4.31Å; F559-R640 HydrophobicContact CG-CG 3.9Å; F559-R640 HydrophobicContact CZ-CB 3.89Å; F559-R640 HydrophobicContact CZ-CG 3.73Å; S611-R640 PolarHBondContact OG-NE 3.36Å; S611-R640 PolarHBondContact OG-NH2 2.83Å; N627-R640 WeakPolarHBondContact OD1-CD 3.47Å; N627-R640 PolarHBondContact OD1-NH1 2.88Å; D629-R640 PolarHBondContact O-NH1 3.13Å; D636-R640 WeakPolarHBondContact O-CG 3.4Å; D636-R640 PolarHBondContact O-N 2.92Å; D636-R640 IonicContact OD2-CZ 3.77Å; D636-R640 IonicContact OD2-NE 3.62Å; D636-R640 PolarHBondContact OD2-NE 3.42Å; D636-R640 IonicContact OD2-NH2 2.73Å; Y637-R640 PolarHBondContact O-N 3.19Å; Y637-R640 VanDerWaalsContact O-N 3.12Å; R640-G642 VanDerWaalsContact C-N 3.34Å; R640-G642 PolarHBondContact O-N 3.39Å; R640-R643 VanDerWaalsContact O-CB 3.32Å; R640-R643 WeakPolarHBondContact O-CB 3.37Å; R640-R643 WeakPolarHBondContact O-CG 3.48Å; R640-R643 PolarHBondContact O-N 3Å
641	V	88.2	Confident	82.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-42.6	176.8	176	0	0	0	0	111	V523 V527 Y637 R643 C644 A653	V523-V641 HydrophobicContact CG1-CG1 3.54Å; V527-V641 HydrophobicContact CB-CG1 4.3Å; V527-V641 HydrophobicContact CG1-CG1 3.74Å; Y637-V641 HydrophobicContact CD1-CG2 4.2Å; Y637-V641 HydrophobicContact CD2-CG2 4.08Å; Y637-V641 HydrophobicContact CE1-CG2 3.82Å; Y637-V641 HydrophobicContact CE2-CG2 3.7Å; Y637-V641 HydrophobicContact CG-CG2 4.32Å; Y637-V641 WeakPolarHBondContact O-CB 3.43Å; Y637-V641 WeakPolarHBondContact O-CG2 3.43Å; Y637-V641 PolarHBondContact O-N 2.77Å; V641-R643 PolarHBondContact O-N 2.98Å; V641-C644 PolarHBondContact O-N 3.45Å; V641-C644 PolarHBondContact O-SG 2.69Å; V641-C644 VanDerWaalsContact O-SG 3.35Å; V641-A653 HydrophobicContact CB-CB 4.35Å; V641-A653 HydrophobicContact CG1-CB 3.71Å; V641-A653 HydrophobicContact CG2-CB 4.01Å
642	G	82.1	Confident	82.9	Confident	7 Å²	7	37.7 Å²	37.7	7%	0.072	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	23	173.9	0	0	0	0	0	116.3	T352 V638 R640 R646	T352-G642 PolarHBondContact OG1-O 3.32Å; V638-G642 PolarHBondContact O-N 2.82Å; R640-G642 VanDerWaalsContact C-N 3.34Å; R640-G642 PolarHBondContact O-N 3.39Å; G642-R646 PolarHBondContact O-NE 3.27Å; G642-R646 VanDerWaalsContact O-NE 3.15Å; G642-R646 PolarHBondContact O-NH2 3.44Å
643	R	84.7	Confident	83.3	Confident	5 Å²	5	33.1 Å²	33.1	2%	0.019	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-38.4	167.4	-58.6	-72.9	139.3	-166	-2.8	111.8	R467 L557 F559 A614 L617 M622 V625 H639 R640 V641 R646	R467-R643 VanDerWaalsContact NH1-NH2 3.19Å; L557-R643 HydrophobicContact CD2-CB 4.04Å; L557-R643 HydrophobicContact CD2-CG 3.9Å; F559-R643 HydrophobicContact CE2-CG 4.17Å; F559-R643 HydrophobicContact CZ-CG 4.03Å; A614-R643 PolarHBondContact O-NH1 3.12Å; L617-R643 PolarHBondContact O-NH1 2.65Å; M622-R643 HydrophobicContact CE-CB 4Å; M622-R643 HydrophobicContact SD-CB 3.37Å; M622-R643 WeakPolarHBondContact SD-CB 3.48Å; V625-R643 HydrophobicContact CG2-CB 3.99Å; H639-R643 PolarHBondContact O-NE 3.09Å; H639-R643 PolarHBondContact O-NH2 3.34Å; R640-R643 VanDerWaalsContact O-CB 3.32Å; R640-R643 WeakPolarHBondContact O-CB 3.37Å; R640-R643 WeakPolarHBondContact O-CG 3.48Å; R640-R643 PolarHBondContact O-N 3Å; V641-R643 PolarHBondContact O-N 2.98Å; R643-R646 WeakPolarHBondContact O-CD 3.46Å; R643-R646 PolarHBondContact O-NE 2.77Å
644	C	86.5	Confident	84	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.014	17%	0.173	C	C	.	.	S	Bend	trans	-85.5	-171.7	163.6	66.5	0	0	0	0	110.6	M622 V625 V641 R646 Y652	M622-C644 HydrophobicContact CG-CB 4.47Å; M622-C644 WeakPolarHBondContact O-CA 3.44Å; M622-C644 WeakPolarHBondContact O-CB 3.24Å; V625-C644 HydrophobicContact CG2-CB 3.98Å; V641-C644 PolarHBondContact O-N 3.45Å; V641-C644 PolarHBondContact O-SG 2.69Å; V641-C644 VanDerWaalsContact O-SG 3.35Å; C644-R646 PolarHBondContact O-N 2.63Å; C644-Y652 PolarHBondContact SG-O 2.97Å
645	G	78.9	Confident	84.6	Confident	7 Å²	7	28.7 Å²	28.7	7%	0.072	17%	0.171	C	C	.	.	S	Bend	trans	66.1	31.6	177.6	0	0	0	0	0	114.8	N649	G645-N649 CarbonylContact C-O 3.49Å; G645-N649 VanDerWaalsContact CA-O 3.32Å; G645-N649 WeakPolarHBondContact CA-O 3.43Å
646	R	74.9	Confident	85.3	Confident	31 Å²	31	26.6 Å²	26.6	12%	0.117	16%	0.162	C	C	.	.			trans	-101.4	139.6	-171.9	-67.2	-171.1	176.1	-176.6	7.3	112.4	L617 D618 G642 R643 C644 G648 N649	L617-R646 PolarHBondContact O-NH1 3.38Å; L617-R646 VanDerWaalsContact O-NH1 3.08Å; D618-R646 IonicContact OD1-CZ 3.9Å; D618-R646 IonicContact OD1-NH1 3.66Å; D618-R646 PolarHBondContact OD1-NH1 3.46Å; G642-R646 PolarHBondContact O-NE 3.27Å; G642-R646 VanDerWaalsContact O-NE 3.15Å; G642-R646 PolarHBondContact O-NH2 3.44Å; R643-R646 WeakPolarHBondContact O-CD 3.46Å; R643-R646 PolarHBondContact O-NE 2.77Å; C644-R646 PolarHBondContact O-N 2.63Å; R646-G648 PolarHBondContact O-N 3.5Å; R646-N649 WeakPolarHBondContact O-CB 3.36Å; R646-N649 PolarHBondContact O-N 2.73Å; R646-N649 VanDerWaalsContact O-N 3.1Å
647	A	68	Low	85.8	Confident	110 Å²	110	25.9 Å²	25.9	91%	0.909	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	29.2	172.9	0	0	0	0	0	115.5
648	G	71	Confident	86	Confident	61 Å²	61	27.6 Å²	27.6	63%	0.629	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-0.1	-178.8	0	0	0	0	0	114.6	R646	R646-G648 PolarHBondContact O-N 3.5Å
649	N	80.8	Confident	86.1	Confident	80 Å²	80	28.8 Å²	28.8	43%	0.428	18%	0.175	S	C	.	.			trans	-72.1	134.3	163	-65.2	-17.6	0	0	0	108.7	K620 G645 R646	K620-N649 PolarHBondContact O-ND2 2.94Å; K620-N649 VanDerWaalsContact O-ND2 3.13Å; G645-N649 CarbonylContact C-O 3.49Å; G645-N649 VanDerWaalsContact CA-O 3.32Å; G645-N649 WeakPolarHBondContact CA-O 3.43Å; R646-N649 WeakPolarHBondContact O-CB 3.36Å; R646-N649 PolarHBondContact O-N 2.73Å; R646-N649 VanDerWaalsContact O-N 3.1Å
650	K	86.5	Confident	86.3	Confident	149 Å²	149	32.8 Å²	32.8	65%	0.648	20%	0.204	S	C	*	.			trans	-63.8	158.2	165	-73.6	-166.4	171.4	-162.5	0	111.1	D526	D526-K650 CarbonylContact O-C 3.57Å; D526-K650 VanDerWaalsContact O-CA 3.26Å; D526-K650 WeakPolarHBondContact O-CA 3.41Å
651	G	90	Very high	86	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.4	168	0	0	0	0	0	112.3	D526 V527 E528 I623	D526-G651 PolarHBondContact O-N 3.32Å; V527-G651 CarbonylContact C-O 3.6Å; V527-G651 WeakPolarHBondContact CA-O 3.49Å; E528-G651 PolarHBondContact N-O 2.9Å; I623-G651 CarbonylContact O-C 3.55Å; I623-G651 VanDerWaalsContact O-CA 3.27Å; I623-G651 WeakPolarHBondContact O-CA 3.45Å
652	Y	93.3	Very high	85.9	Confident	56 Å²	56	37 Å²	37	22%	0.22	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.9	175.9	-61.4	-86.5	0	0	0	109.3	E528 H530 Y550 I623 M624 V625 C644	E528-Y652 HydrophobicContact CB-CD1 3.88Å; E528-Y652 HydrophobicContact CB-CE1 4.08Å; E528-Y652 HydrophobicContact CG-CD1 4.45Å; E528-Y652 HydrophobicContact CG-CE1 4.42Å; E528-Y652 CarbonylContact O-C 3.13Å; E528-Y652 WeakPolarHBondContact O-CA 3.35Å; E528-Y652 WeakPolarHBondContact OE2-CE1 3.39Å; H530-Y652 AromaticContact NE2-CD1 3.88Å; Y550-Y652 HydrophobicContact CD1-CD2 4.21Å; Y550-Y652 HydrophobicContact CE1-CD1 4.3Å; Y550-Y652 AromaticContact CE1-CD2 3.63Å; Y550-Y652 HydrophobicContact CE1-CD2 3.63Å; Y550-Y652 HydrophobicContact CE1-CE1 4.45Å; Y550-Y652 AromaticContact CE1-CE2 3.8Å; Y550-Y652 HydrophobicContact CE1-CE2 3.8Å; Y550-Y652 AromaticContact CE1-CG 3.91Å; Y550-Y652 HydrophobicContact CE1-CG 3.91Å; I623-Y652 HydrophobicContact CG2-CD2 4.06Å; I623-Y652 HydrophobicContact CG2-CE2 4.43Å; I623-Y652 PolarHBondContact O-N 2.75Å; M624-Y652 WeakPolarHBondContact CA-O 3.4Å; V625-Y652 PolarHBondContact N-O 3.3Å; C644-Y652 PolarHBondContact SG-O 2.97Å
653	A	94.5	Very high	86	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	103.5	178.8	0	0	0	0	0	110.7	V527 E528 H530 V625 V641	V527-A653 HydrophobicContact CG1-CB 3.59Å; E528-A653 PolarHBondContact O-N 3.28Å; H530-A653 PolarHBondContact N-O 2.96Å; V625-A653 WeakPolarHBondContact O-CA 2.97Å; V641-A653 HydrophobicContact CB-CB 4.35Å; V641-A653 HydrophobicContact CG1-CB 3.71Å; V641-A653 HydrophobicContact CG2-CB 4.01Å
654	F	95.6	Very high	86.1	Confident	7 Å²	7	46.2 Å²	46.2	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.2	176.4	-61.1	-81.9	0	0	0	109.8	H530 F532 L546 Y550 M624 V625 V626 N627	H530-F654 HydrophobicContact CB-CD1 3.66Å; H530-F654 HydrophobicContact CB-CE1 3.88Å; H530-F654 AromaticContact CD2-CD1 3.62Å; H530-F654 AromaticContact CD2-CE1 3.12Å; H530-F654 WeakPolarHBondContact CD2-CE1 3.23Å; H530-F654 AromaticContact CD2-CZ 3.52Å; H530-F654 AromaticContact CG-CD1 3.9Å; H530-F654 AromaticContact CG-CE1 3.59Å; H530-F654 AromaticContact NE2-CE1 3.84Å; H530-F654 AromaticContact NE2-CZ 3.92Å; H530-F654 CarbonylContact O-C 3.6Å; H530-F654 WeakPolarHBondContact O-CA 3.36Å; F532-F654 AromaticContact CE2-CD1 3.73Å; F532-F654 HydrophobicContact CE2-CD1 3.73Å; F532-F654 HydrophobicContact CE2-CE1 4.29Å; F532-F654 HydrophobicContact CZ-CD1 4.48Å; L546-F654 HydrophobicContact CD1-CB 3.75Å; L546-F654 HydrophobicContact CD1-CD1 3.83Å; L546-F654 HydrophobicContact CD1-CD2 4.03Å; L546-F654 HydrophobicContact CD1-CE1 4.49Å; L546-F654 HydrophobicContact CD1-CG 3.57Å; L546-F654 HydrophobicContact CD2-CD1 3.73Å; L546-F654 HydrophobicContact CD2-CD2 4.2Å; L546-F654 HydrophobicContact CD2-CE1 3.54Å; L546-F654 HydrophobicContact CD2-CE2 4.03Å; L546-F654 HydrophobicContact CD2-CG 4.07Å; L546-F654 HydrophobicContact CD2-CZ 3.72Å; L546-F654 HydrophobicContact CG-CD1 4.46Å; L546-F654 HydrophobicContact CG-CG 4.45Å; Y550-F654 HydrophobicContact CD2-CE2 4.08Å; Y550-F654 HydrophobicContact CD2-CZ 4.38Å; Y550-F654 AromaticContact CE2-CE2 3.66Å; Y550-F654 HydrophobicContact CE2-CE2 3.66Å; Y550-F654 AromaticContact CE2-CZ 3.54Å; Y550-F654 HydrophobicContact CE2-CZ 3.54Å; Y550-F654 AromaticContact CZ-CZ 3.92Å; M624-F654 HydrophobicContact CG-CD2 3.73Å; M624-F654 HydrophobicContact CG-CE2 3.94Å; M624-F654 HydrophobicContact SD-CD2 3.46Å; M624-F654 WeakPolarHBondContact SD-CD2 3.28Å; M624-F654 HydrophobicContact SD-CE2 3.47Å; M624-F654 WeakPolarHBondContact SD-CE2 3.15Å; V625-F654 PolarHBondContact O-N 2.97Å; V626-F654 CarbonylContact C-O 3.56Å; V626-F654 WeakPolarHBondContact CA-O 3.41Å; V626-F654 HydrophobicContact CG1-CB 4.4Å; V626-F654 HydrophobicContact CG2-CB 4.45Å; N627-F654 PolarHBondContact N-O 2.66Å
655	T	96.2	Very high	86.2	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	125.5	178.4	-59.5	0	0	0	0	110.3	H530 A531 F532 N627 Y637 L669	H530-T655 PolarHBondContact O-N 3.19Å; A531-T655 WeakPolarHBondContact CA-O 3.12Å; F532-T655 PolarHBondContact N-O 3.45Å; N627-T655 HydrophobicContact CB-CG2 3.89Å; N627-T655 PolarHBondContact ND2-OG1 3.13Å; Y637-T655 HydrophobicContact CE2-CG2 4.34Å; Y637-T655 WeakPolarHBondContact CE2-OG1 3.28Å; T655-L669 HydrophobicContact CG2-CD1 4.06Å; T655-L669 HydrophobicContact CG2-CD2 4.17Å
656	F	96.1	Very high	86.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.6	174.3	-54.2	-22.3	0	0	0	109.1	F532 L534 K539 K542 L543 L546 V626 N627 Y628	F532-F656 HydrophobicContact CB-CD1 4.39Å; F532-F656 HydrophobicContact CD2-CD1 4.26Å; F532-F656 HydrophobicContact CD2-CE1 4.07Å; F532-F656 WeakPolarHBondContact O-CA 3.49Å; L534-F656 HydrophobicContact CD1-CB 4.13Å; L534-F656 HydrophobicContact CD1-CD1 3.5Å; L534-F656 HydrophobicContact CD1-CD2 4.24Å; L534-F656 HydrophobicContact CD1-CE1 3.9Å; L534-F656 HydrophobicContact CD1-CG 3.7Å; L534-F656 HydrophobicContact CD1-CZ 4.41Å; K539-F656 HydrophobicContact CB-CD2 3.86Å; K539-F656 HydrophobicContact CB-CE2 4.26Å; K539-F656 HydrophobicContact CD-CD2 4.45Å; K539-F656 HydrophobicContact CG-CB 4.18Å; K539-F656 HydrophobicContact CG-CD2 3.89Å; K539-F656 HydrophobicContact CG-CG 4.39Å; K539-F656 VanDerWaalsContact O-CE2 3.3Å; K539-F656 WeakPolarHBondContact O-CE2 3.46Å; K542-F656 HydrophobicContact CB-CE1 4.33Å; K542-F656 HydrophobicContact CB-CZ 4.06Å; K542-F656 HydrophobicContact CG-CE1 3.83Å; K542-F656 HydrophobicContact CG-CZ 3.99Å; L543-F656 HydrophobicContact CB-CE2 4.17Å; L543-F656 HydrophobicContact CB-CZ 4.38Å; L546-F656 HydrophobicContact CD1-CE1 3.94Å; L546-F656 HydrophobicContact CD1-CZ 3.97Å; V626-F656 HydrophobicContact CG1-CE1 4.48Å; V626-F656 HydrophobicContact CG1-CE2 4.15Å; V626-F656 HydrophobicContact CG1-CZ 4.03Å; N627-F656 PolarHBondContact O-N 3.16Å; Y628-F656 AromaticContact CD2-CD2 3.97Å; Y628-F656 HydrophobicContact CD2-CD2 3.97Å; Y628-F656 AromaticContact CD2-CE2 3.82Å; Y628-F656 HydrophobicContact CD2-CE2 3.82Å; Y628-F656 HydrophobicContact CE2-CD2 4.47Å; Y628-F656 HydrophobicContact CE2-CE2 4.25Å; Y628-F656 HydrophobicContact CG-CD2 4.38Å
657	L	94	Very high	87.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131	177.6	-170.2	80.3	0	0	0	108.4	F532 V533 L534 C630 Q662 N665 A666 L669 L684 I687	F532-L657 PolarHBondContact O-N 2.93Å; V533-L657 WeakPolarHBondContact CA-O 3.42Å; L534-L657 PolarHBondContact N-O 3Å; C630-L657 HydrophobicContact CB-CD1 3.96Å; L657-Q662 HydrophobicContact CD1-CB 3.61Å; L657-Q662 HydrophobicContact CG-CB 4.12Å; L657-N665 HydrophobicContact CD1-CB 4.11Å; L657-A666 HydrophobicContact CD2-CB 3.89Å; L657-L669 HydrophobicContact CD1-CD1 4.06Å; L657-L684 HydrophobicContact CD2-CD1 3.71Å; L657-I687 HydrophobicContact CD2-CD1 4.35Å
658	L	92	Very high	88.4	Confident	39 Å²	39	42.3 Å²	42.3	20%	0.204	24%	0.24	C	C	.	.			trans	-72.2	139.6	170.4	-65.7	172.8	0	0	0	109.7	E536 S660 Q662	E536-L658 HydrophobicContact CB-CD2 4.12Å; L658-S660 PolarHBondContact O-N 3.49Å; L658-Q662 HydrophobicContact CB-CG 4.23Å
659	P	86.5	Confident	89.3	Confident	42 Å²	42	39.6 Å²	39.6	27%	0.273	21%	0.211	S	C	.	.	S	Bend	trans	-66.5	-19.8	-178.6	22.6	-30.6	0	0	0	113.9	V533 L534 E535	V533-P659 HydrophobicContact CG1-CB 3.72Å; V533-P659 HydrophobicContact CG1-CG 4.37Å; L534-P659 VanDerWaalsContact O-CD 3.29Å; L534-P659 WeakPolarHBondContact O-CD 3.31Å; E535-P659 VanDerWaalsContact OE1-CG 3.25Å; E535-P659 WeakPolarHBondContact OE1-CG 3.21Å; E535-P659 WeakPolarHBondContact OE2-CG 3.2Å
660	S	84.3	Confident	89.8	Confident	89 Å²	89	36 Å²	36	62%	0.622	19%	0.192	S	C	*	.	S	Bend	trans	-129.3	150.6	173.4	-169.6	0	0	0	0	112.2	L658 Q662 E663	L658-S660 PolarHBondContact O-N 3.49Å; S660-Q662 PolarHBondContact O-N 3.44Å; S660-E663 VanDerWaalsContact CA-OE1 3.29Å; S660-E663 WeakPolarHBondContact CA-OE1 3.27Å; S660-E663 PolarHBondContact OG-OE1 3.38Å
661	G	82.5	Confident	89.9	Confident	62 Å²	62	31.1 Å²	31.1	64%	0.639	17%	0.171	S	C	*	.	S	Bend	trans	78.5	-4.2	-179.3	0	0	0	0	0	115.1	E663	G661-E663 VanDerWaalsContact C-OE2 3.31Å; G661-E663 WeakPolarHBondContact CA-OE2 3.34Å; G661-E663 PolarHBondContact N-OE1 2.92Å; G661-E663 PolarHBondContact N-OE2 3.23Å
662	Q	85.7	Confident	89.8	Confident	30 Å²	30	31.1 Å²	31.1	14%	0.14	17%	0.17	C	C	.	.			trans	-126.3	16.8	179.1	-58.1	-169.3	-21.3	0	0	112.8	L657 L658 S660 R664 N665 A666	L657-Q662 HydrophobicContact CD1-CB 3.61Å; L657-Q662 HydrophobicContact CG-CB 4.12Å; L658-Q662 HydrophobicContact CB-CG 4.23Å; S660-Q662 PolarHBondContact O-N 3.44Å; Q662-R664 PolarHBondContact O-N 2.92Å; Q662-N665 HydrophobicContact CB-CB 4.42Å; Q662-N665 WeakPolarHBondContact O-CA 2.99Å; Q662-N665 WeakPolarHBondContact O-CB 3.39Å; Q662-N665 PolarHBondContact O-N 2.86Å; Q662-A666 PolarHBondContact O-N 2.68Å; Q662-A666 VanDerWaalsContact O-N 3.07Å
663	E	84.9	Confident	89.6	Confident	49 Å²	49	28.6 Å²	28.6	23%	0.229	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-32.1	-176.7	-46.5	84.2	169.8	0	0	111.8	S660 G661 A666 I687 Y691	S660-E663 VanDerWaalsContact CA-OE1 3.29Å; S660-E663 WeakPolarHBondContact CA-OE1 3.27Å; S660-E663 PolarHBondContact OG-OE1 3.38Å; G661-E663 VanDerWaalsContact C-OE2 3.31Å; G661-E663 WeakPolarHBondContact CA-OE2 3.34Å; G661-E663 PolarHBondContact N-OE1 2.92Å; G661-E663 PolarHBondContact N-OE2 3.23Å; E663-A666 VanDerWaalsContact O-CB 3.27Å; E663-A666 WeakPolarHBondContact O-CB 3.23Å; E663-A666 PolarHBondContact O-N 2.81Å; E663-I687 HydrophobicContact CB-CG2 3.88Å; E663-I687 HydrophobicContact CG-CG2 4.01Å; E663-Y691 HydrophobicContact CB-CD2 3.65Å; E663-Y691 HydrophobicContact CB-CE2 4.43Å; E663-Y691 HydrophobicContact CB-CG 3.9Å
664	R	86.2	Confident	89.4	Confident	156 Å²	156	33.7 Å²	33.7	59%	0.589	18%	0.184	S	C	*	.	H	α-helix	trans	-64.7	-40.3	170.7	179.1	178.4	172.6	174.4	-1.8	112.1	Q662 A666 G667	Q662-R664 PolarHBondContact O-N 2.92Å; R664-A666 VanDerWaalsContact C-N 3.25Å; R664-A666 PolarHBondContact O-N 3.44Å; R664-G667 PolarHBondContact O-N 2.96Å
665	N	88.3	Confident	88.9	Confident	19 Å²	19	36.9 Å²	36.9	10%	0.102	20%	0.201	C	C	.	.	H	α-helix	trans	-69	-28.7	179.3	-51.7	54.6	0	0	0	110.5	P631 L657 Q662 G667 D668 L669	P631-N665 PolarHBondContact O-ND2 2.89Å; L657-N665 HydrophobicContact CD1-CB 4.11Å; Q662-N665 HydrophobicContact CB-CB 4.42Å; Q662-N665 WeakPolarHBondContact O-CA 2.99Å; Q662-N665 WeakPolarHBondContact O-CB 3.39Å; Q662-N665 PolarHBondContact O-N 2.86Å; N665-G667 VanDerWaalsContact C-N 3.26Å; N665-G667 PolarHBondContact O-N 2.89Å; N665-D668 PolarHBondContact O-N 3.01Å; N665-D668 VanDerWaalsContact O-N 3.16Å; N665-L669 WeakPolarHBondContact O-CG 3.4Å; N665-L669 PolarHBondContact O-N 3.03Å
666	A	90.2	Very high	88.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-54.4	-42.3	172	0	0	0	0	0	112	L657 Q662 E663 R664 D668 L669 V670 L684 I687 W688	L657-A666 HydrophobicContact CD2-CB 3.89Å; Q662-A666 PolarHBondContact O-N 2.68Å; Q662-A666 VanDerWaalsContact O-N 3.07Å; E663-A666 VanDerWaalsContact O-CB 3.27Å; E663-A666 WeakPolarHBondContact O-CB 3.23Å; E663-A666 PolarHBondContact O-N 2.81Å; R664-A666 VanDerWaalsContact C-N 3.25Å; R664-A666 PolarHBondContact O-N 3.44Å; A666-D668 PolarHBondContact O-N 3.16Å; A666-L669 WeakPolarHBondContact O-CB 3.05Å; A666-L669 PolarHBondContact O-N 3.31Å; A666-L669 VanDerWaalsContact O-N 3.15Å; A666-V670 WeakPolarHBondContact O-CG2 3.47Å; A666-V670 PolarHBondContact O-N 3.37Å; A666-L684 HydrophobicContact CB-CD1 3.84Å; A666-I687 HydrophobicContact CB-CB 4.45Å; A666-I687 HydrophobicContact CB-CG2 3.9Å; A666-W688 HydrophobicContact CB-CB 4.3Å
667	G	89.1	Confident	87.8	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-33.9	178	0	0	0	0	0	114.7	R664 N665 K671 W688	R664-G667 PolarHBondContact O-N 2.96Å; N665-G667 VanDerWaalsContact C-N 3.26Å; N665-G667 PolarHBondContact O-N 2.89Å; G667-K671 VanDerWaalsContact O-CB 3.28Å; G667-K671 WeakPolarHBondContact O-CB 3.35Å; G667-K671 PolarHBondContact O-N 3.19Å; G667-W688 VanDerWaalsContact CA-CZ3 3.49Å; G667-W688 VanDerWaalsContact N-CE3 3.32Å
668	D	88.2	Confident	87.5	Confident	47 Å²	47	42.6 Å²	42.6	25%	0.251	25%	0.247	S	C	.	.	H	α-helix	trans	-69	-35.4	171.9	-85.5	-6.1	0	0	0	110.8	Y634 N665 A666 A672	Y634-D668 WeakPolarHBondContact CB-OD2 3.39Å; Y634-D668 HydrophobicContact CD2-CB 4.06Å; Y634-D668 VanDerWaalsContact CD2-O 3.25Å; Y634-D668 WeakPolarHBondContact CD2-O 3.37Å; Y634-D668 WeakPolarHBondContact CE2-O 3Å; Y634-D668 PolarHBondContact N-OD2 3.1Å; Y634-D668 VanDerWaalsContact N-OD2 3.12Å; N665-D668 PolarHBondContact O-N 3.01Å; N665-D668 VanDerWaalsContact O-N 3.16Å; A666-D668 PolarHBondContact O-N 3.16Å; D668-A672 PolarHBondContact O-N 2.9Å
669	L	91	Very high	87.4	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-70.3	-49.2	174.3	-66.5	177	0	0	0	112.5	Y637 T655 L657 N665 A666 K671 A672 F673 L684	Y637-L669 HydrophobicContact CD1-CD2 4.45Å; Y637-L669 HydrophobicContact CD2-CD2 3.46Å; Y637-L669 VanDerWaalsContact CD2-CD2 3.46Å; Y637-L669 HydrophobicContact CE1-CD2 4.25Å; Y637-L669 HydrophobicContact CE2-CD2 3.19Å; Y637-L669 HydrophobicContact CG-CD2 4.1Å; T655-L669 HydrophobicContact CG2-CD1 4.06Å; T655-L669 HydrophobicContact CG2-CD2 4.17Å; L657-L669 HydrophobicContact CD1-CD1 4.06Å; N665-L669 WeakPolarHBondContact O-CG 3.4Å; N665-L669 PolarHBondContact O-N 3.03Å; A666-L669 WeakPolarHBondContact O-CB 3.05Å; A666-L669 PolarHBondContact O-N 3.31Å; A666-L669 VanDerWaalsContact O-N 3.15Å; L669-K671 PolarHBondContact O-N 2.92Å; L669-A672 WeakPolarHBondContact O-CA 3.2Å; L669-A672 VanDerWaalsContact O-CB 3.31Å; L669-A672 WeakPolarHBondContact O-CB 3.3Å; L669-A672 PolarHBondContact O-N 2.99Å; L669-F673 WeakPolarHBondContact O-CD2 3.46Å; L669-F673 PolarHBondContact O-N 3.41Å; L669-F673 VanDerWaalsContact O-N 3.11Å; L669-L684 HydrophobicContact CB-CD1 4.06Å; L669-L684 HydrophobicContact CB-CD2 3.78Å; L669-L684 HydrophobicContact CB-CG 4.47Å; L669-L684 HydrophobicContact CD1-CD1 3.91Å
670	V	91.4	Very high	87.6	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-49.9	-49.8	176	169.4	0	0	0	0	110	A666 A672 F673 E674 V680 L684 W688	A666-V670 WeakPolarHBondContact O-CG2 3.47Å; A666-V670 PolarHBondContact O-N 3.37Å; V670-A672 VanDerWaalsContact C-N 3.29Å; V670-A672 PolarHBondContact O-N 3.18Å; V670-F673 PolarHBondContact O-N 2.88Å; V670-F673 VanDerWaalsContact O-N 3.14Å; V670-E674 HydrophobicContact CG1-CG 4.35Å; V670-E674 WeakPolarHBondContact O-CG 3.14Å; V670-E674 PolarHBondContact O-N 3.48Å; V670-V680 HydrophobicContact CB-CG1 4.43Å; V670-V680 HydrophobicContact CG1-CG1 4.27Å; V670-V680 HydrophobicContact CG1-CG2 4.3Å; V670-V680 HydrophobicContact CG2-CG1 3.91Å; V670-L684 HydrophobicContact CG2-CD2 4.03Å; V670-L684 HydrophobicContact CG2-CG 3.95Å; V670-W688 HydrophobicContact CG2-CB 4.01Å; V670-W688 HydrophobicContact CG2-CG 4.19Å
671	K	88	Confident	88	Confident	46 Å²	46	46.9 Å²	46.9	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-32.4	176.1	179.5	175.9	176.9	-178.6	0	114.1	Y634 G667 L669 L675 Q704	Y634-K671 HydrophobicContact CE2-CB 4.49Å; Y634-K671 HydrophobicContact CE2-CD 4.48Å; Y634-K671 HydrophobicContact CE2-CG 4.21Å; G667-K671 VanDerWaalsContact O-CB 3.28Å; G667-K671 WeakPolarHBondContact O-CB 3.35Å; G667-K671 PolarHBondContact O-N 3.19Å; L669-K671 PolarHBondContact O-N 2.92Å; K671-L675 HydrophobicContact CG-CD1 3.82Å; K671-L675 HydrophobicContact CG-CG 4.42Å; K671-L675 VanDerWaalsContact O-CB 3.28Å; K671-L675 WeakPolarHBondContact O-CB 3.46Å; K671-L675 VanDerWaalsContact O-CG 3.23Å; K671-L675 WeakPolarHBondContact O-CG 3.05Å; K671-L675 PolarHBondContact O-N 3.29Å; K671-Q704 PolarHBondContact NZ-O 2.92Å
672	A	87.5	Confident	88.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-70.7	-36.9	175.9	0	0	0	0	0	112.5	V523 Y634 Y637 D668 L669 V670 A676	V523-A672 HydrophobicContact CG2-CB 4.44Å; Y634-A672 HydrophobicContact CE2-CB 3.83Å; Y637-A672 HydrophobicContact CD1-CB 3.95Å; Y637-A672 HydrophobicContact CE1-CB 3.5Å; Y637-A672 VanDerWaalsContact CE1-CB 3.5Å; D668-A672 PolarHBondContact O-N 2.9Å; L669-A672 WeakPolarHBondContact O-CA 3.2Å; L669-A672 VanDerWaalsContact O-CB 3.31Å; L669-A672 WeakPolarHBondContact O-CB 3.3Å; L669-A672 PolarHBondContact O-N 2.99Å; V670-A672 VanDerWaalsContact C-N 3.29Å; V670-A672 PolarHBondContact O-N 3.18Å; A672-A676 VanDerWaalsContact O-CB 3.27Å; A672-A676 WeakPolarHBondContact O-CB 3.16Å; A672-A676 PolarHBondContact O-N 2.84Å; A672-A676 VanDerWaalsContact O-N 3.12Å
673	F	90.4	Very high	88.6	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.013	27%	0.272	C	S	.	.	H	α-helix	trans	-69.3	-49	174.5	-82.5	-106.5	0	0	0	110.9	Q529 A531 L669 V670 L675 A676 G677 Q678 E679 V680 P681	Q529-F673 HydrophobicContact CB-CE1 3.85Å; Q529-F673 HydrophobicContact CB-CE2 3.94Å; Q529-F673 HydrophobicContact CB-CZ 3.53Å; Q529-F673 VanDerWaalsContact O-CE1 3.26Å; Q529-F673 WeakPolarHBondContact O-CE1 3.34Å; Q529-F673 WeakPolarHBondContact O-CZ 3.15Å; A531-F673 HydrophobicContact CB-CE2 4.15Å; A531-F673 HydrophobicContact CB-CZ 4.19Å; L669-F673 WeakPolarHBondContact O-CD2 3.46Å; L669-F673 PolarHBondContact O-N 3.41Å; L669-F673 VanDerWaalsContact O-N 3.11Å; V670-F673 PolarHBondContact O-N 2.88Å; V670-F673 VanDerWaalsContact O-N 3.14Å; F673-L675 PolarHBondContact O-N 2.86Å; F673-A676 PolarHBondContact O-N 3.19Å; F673-G677 PolarHBondContact O-N 3.42Å; F673-Q678 HydrophobicContact CD1-CB 3.99Å; F673-Q678 PolarHBondContact O-N 3.25Å; F673-E679 VanDerWaalsContact CD1-O 3.23Å; F673-E679 WeakPolarHBondContact CD1-O 3.29Å; F673-V680 HydrophobicContact CB-CG2 3.94Å; F673-P681 HydrophobicContact CE1-CG 4.09Å; F673-P681 HydrophobicContact CZ-CG 4.2Å
674	E	88.9	Confident	88.9	Confident	108 Å²	108	49.2 Å²	49.2	51%	0.505	26%	0.261	S	S	.	.	H	α-helix	trans	-53.6	-50.4	174.8	-71.3	173.6	164.7	0	0	112.3	V670 A676 G677 V680	V670-E674 HydrophobicContact CG1-CG 4.35Å; V670-E674 WeakPolarHBondContact O-CG 3.14Å; V670-E674 PolarHBondContact O-N 3.48Å; E674-A676 VanDerWaalsContact C-N 3.34Å; E674-A676 PolarHBondContact O-N 3.36Å; E674-G677 PolarHBondContact O-N 2.87Å; E674-G677 VanDerWaalsContact O-N 3.15Å; E674-V680 HydrophobicContact CG-CG2 4.33Å
675	L	85.4	Confident	89.1	Confident	74 Å²	74	45.3 Å²	45.3	39%	0.387	25%	0.249	S	C	.	.	H	α-helix	trans	-71.9	-26.1	-178	-70.9	172.5	0	0	0	113.4	V522 Y634 K671 F673	V522-L675 HydrophobicContact CG1-CB 4.14Å; V522-L675 VanDerWaalsContact CG1-O 3.22Å; V522-L675 WeakPolarHBondContact CG1-O 3.39Å; V522-L675 HydrophobicContact CG2-CB 4.12Å; V522-L675 HydrophobicContact CG2-CD1 4.48Å; Y634-L675 WeakPolarHBondContact OH-CD1 3.42Å; K671-L675 HydrophobicContact CG-CD1 3.82Å; K671-L675 HydrophobicContact CG-CG 4.42Å; K671-L675 VanDerWaalsContact O-CB 3.28Å; K671-L675 WeakPolarHBondContact O-CB 3.46Å; K671-L675 VanDerWaalsContact O-CG 3.23Å; K671-L675 WeakPolarHBondContact O-CG 3.05Å; K671-L675 PolarHBondContact O-N 3.29Å; F673-L675 PolarHBondContact O-N 2.86Å
676	A	83.9	Confident	89.2	Confident	5 Å²	5	49.8 Å²	49.8	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-72.4	-31.3	170.1	0	0	0	0	0	112	A672 F673 E674 Q678	A672-A676 VanDerWaalsContact O-CB 3.27Å; A672-A676 WeakPolarHBondContact O-CB 3.16Å; A672-A676 PolarHBondContact O-N 2.84Å; A672-A676 VanDerWaalsContact O-N 3.12Å; F673-A676 PolarHBondContact O-N 3.19Å; E674-A676 VanDerWaalsContact C-N 3.34Å; E674-A676 PolarHBondContact O-N 3.36Å; A676-Q678 HydrophobicContact CB-CG 4.26Å
677	G	85.5	Confident	89.2	Confident	66 Å²	66	51.1 Å²	51.1	68%	0.68	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	40.2	-169.5	0	0	0	0	0	112.3	F673 E674	F673-G677 PolarHBondContact O-N 3.42Å; E674-G677 PolarHBondContact O-N 2.87Å; E674-G677 VanDerWaalsContact O-N 3.15Å
678	Q	88.2	Confident	89.2	Confident	49 Å²	49	52.4 Å²	52.4	23%	0.229	28%	0.282	C	S	.	.			trans	-117.9	150.2	179.6	-72.4	171.7	-12.9	0	0	110.4	V527 Q529 F673 A676 V680	V527-Q678 PolarHBondContact O-NE2 3.19Å; Q529-Q678 VanDerWaalsContact CG-OE1 3.29Å; F673-Q678 HydrophobicContact CD1-CB 3.99Å; F673-Q678 PolarHBondContact O-N 3.25Å; A676-Q678 HydrophobicContact CB-CG 4.26Å; Q678-V680 PolarHBondContact O-N 2.97Å
679	E	90	Very high	89.2	Confident	189 Å²	189	55.1 Å²	55.1	88%	0.883	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-68.1	127.6	-178.4	-64.4	-177.9	172.7	0	0	111.1	F673	F673-E679 VanDerWaalsContact CD1-O 3.23Å; F673-E679 WeakPolarHBondContact CD1-O 3.29Å
680	V	91	Very high	89.2	Confident	37 Å²	37	57.7 Å²	57.7	22%	0.224	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-73.4	127.3	-179.4	-177.4	0	0	0	0	109.2	V670 F673 E674 Q678 L682 L684 Q685	V670-V680 HydrophobicContact CB-CG1 4.43Å; V670-V680 HydrophobicContact CG1-CG1 4.27Å; V670-V680 HydrophobicContact CG1-CG2 4.3Å; V670-V680 HydrophobicContact CG2-CG1 3.91Å; F673-V680 HydrophobicContact CB-CG2 3.94Å; E674-V680 HydrophobicContact CG-CG2 4.33Å; Q678-V680 PolarHBondContact O-N 2.97Å; V680-L682 PolarHBondContact O-N 3.49Å; V680-L684 HydrophobicContact CG1-CD2 4.29Å; V680-Q685 HydrophobicContact CG1-CB 4.03Å
681	P	91.7	Very high	88.9	Confident	33 Å²	33	59.6 Å²	59.6	21%	0.214	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-61.5	127.7	175.7	-25.8	36.2	0	0	0	111.9	A531 F673 P683 L684 Q685	A531-P681 HydrophobicContact CB-CG 4.31Å; F673-P681 HydrophobicContact CE1-CG 4.09Å; F673-P681 HydrophobicContact CZ-CG 4.2Å; P681-P683 VanDerWaalsContact C-CD 3.48Å; P681-L684 HydrophobicContact CB-CB 4.3Å; P681-L684 WeakPolarHBondContact O-CA 3.17Å; P681-L684 VanDerWaalsContact O-CB 3.28Å; P681-L684 WeakPolarHBondContact O-CB 3.42Å; P681-L684 PolarHBondContact O-N 3.49Å; P681-Q685 PolarHBondContact O-N 3.49Å; P681-Q685 VanDerWaalsContact O-N 3.1Å
682	L	90.6	Very high	88.8	Confident	116 Å²	116	60 Å²	60	61%	0.607	33%	0.328	S	S	*	.	H	α-helix	trans	-51.8	-42.7	-175.7	-179.5	64	0	0	0	114.4	V680 L684 Q685 M686	V680-L682 PolarHBondContact O-N 3.49Å; L682-L684 VanDerWaalsContact C-N 3.3Å; L682-L684 PolarHBondContact O-N 3.23Å; L682-Q685 PolarHBondContact O-N 2.82Å; L682-M686 HydrophobicContact CD1-CG 4.16Å; L682-M686 HydrophobicContact CD1-SD 4.33Å; L682-M686 HydrophobicContact CG-CG 4.37Å; L682-M686 HydrophobicContact CG-SD 4.05Å; L682-M686 WeakPolarHBondContact O-CG 3.37Å; L682-M686 PolarHBondContact O-N 2.99Å
683	P	90.5	Very high	88.9	Confident	73 Å²	73	67.8 Å²	67.8	47%	0.474	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-34.7	176.9	-23.6	35.4	0	0	0	113.6	V533 P681 I687	V533-P683 HydrophobicContact CB-CB 4.4Å; V533-P683 HydrophobicContact CG2-CB 3.85Å; P681-P683 VanDerWaalsContact C-CD 3.48Å; P683-I687 WeakPolarHBondContact O-CG1 3.42Å; P683-I687 PolarHBondContact O-N 3.3Å; P683-I687 VanDerWaalsContact O-N 3.16Å
684	L	90.9	Very high	88.7	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-68.2	-43.3	176.6	-177.5	73.7	0	0	0	110.9	A531 L657 A666 L669 V670 V680 P681 L682 W688	A531-L684 HydrophobicContact CB-CD2 4.01Å; L657-L684 HydrophobicContact CD2-CD1 3.71Å; A666-L684 HydrophobicContact CB-CD1 3.84Å; L669-L684 HydrophobicContact CB-CD1 4.06Å; L669-L684 HydrophobicContact CB-CD2 3.78Å; L669-L684 HydrophobicContact CB-CG 4.47Å; L669-L684 HydrophobicContact CD1-CD1 3.91Å; V670-L684 HydrophobicContact CG2-CD2 4.03Å; V670-L684 HydrophobicContact CG2-CG 3.95Å; V680-L684 HydrophobicContact CG1-CD2 4.29Å; P681-L684 HydrophobicContact CB-CB 4.3Å; P681-L684 WeakPolarHBondContact O-CA 3.17Å; P681-L684 VanDerWaalsContact O-CB 3.28Å; P681-L684 WeakPolarHBondContact O-CB 3.42Å; P681-L684 PolarHBondContact O-N 3.49Å; L682-L684 VanDerWaalsContact C-N 3.3Å; L682-L684 PolarHBondContact O-N 3.23Å; L684-W688 PolarHBondContact O-N 3.32Å; L684-W688 VanDerWaalsContact O-N 3.13Å
685	Q	89.9	Confident	88.4	Confident	73 Å²	73	68.4 Å²	68.4	34%	0.341	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-44.1	175.1	-178.2	174	-7.9	0	0	111.4	V680 P681 L682 I687 W688 E689	V680-Q685 HydrophobicContact CG1-CB 4.03Å; P681-Q685 PolarHBondContact O-N 3.49Å; P681-Q685 VanDerWaalsContact O-N 3.1Å; L682-Q685 PolarHBondContact O-N 2.82Å; Q685-I687 PolarHBondContact O-N 3Å; Q685-W688 PolarHBondContact O-N 2.73Å; Q685-E689 HydrophobicContact CG-CG 4.25Å; Q685-E689 VanDerWaalsContact CG-OE1 3.31Å; Q685-E689 WeakPolarHBondContact CG-OE1 3.49Å; Q685-E689 PolarHBondContact NE2-OE1 3.49Å; Q685-E689 WeakPolarHBondContact O-CB 3.45Å; Q685-E689 WeakPolarHBondContact O-CG 3.15Å; Q685-E689 PolarHBondContact O-N 3.41Å
686	M	90.8	Very high	88.4	Confident	114 Å²	114	68 Å²	68	56%	0.562	37%	0.372	S	S	*	.	H	α-helix	trans	-61.7	-42.7	179.1	-72.3	176.6	68.6	0	0	113	L682 W688 A690	L682-M686 HydrophobicContact CD1-CG 4.16Å; L682-M686 HydrophobicContact CD1-SD 4.33Å; L682-M686 HydrophobicContact CG-CG 4.37Å; L682-M686 HydrophobicContact CG-SD 4.05Å; L682-M686 WeakPolarHBondContact O-CG 3.37Å; L682-M686 PolarHBondContact O-N 2.99Å; M686-W688 VanDerWaalsContact C-N 3.34Å; M686-A690 VanDerWaalsContact O-CB 3.26Å; M686-A690 WeakPolarHBondContact O-CB 3.42Å; M686-A690 PolarHBondContact O-N 2.87Å
687	I	89.4	Confident	88.4	Confident	27 Å²	27	72.6 Å²	72.6	14%	0.138	40%	0.404	C	S	.	.	H	α-helix	trans	-61.4	-45.2	174.1	-70.5	174	0	0	0	110.5	V533 L657 E663 A666 P683 Q685 A690 Y691	V533-I687 HydrophobicContact CB-CD1 4.32Å; V533-I687 HydrophobicContact CG1-CD1 3.72Å; V533-I687 HydrophobicContact CG2-CD1 3.57Å; L657-I687 HydrophobicContact CD2-CD1 4.35Å; E663-I687 HydrophobicContact CB-CG2 3.88Å; E663-I687 HydrophobicContact CG-CG2 4.01Å; A666-I687 HydrophobicContact CB-CB 4.45Å; A666-I687 HydrophobicContact CB-CG2 3.9Å; P683-I687 WeakPolarHBondContact O-CG1 3.42Å; P683-I687 PolarHBondContact O-N 3.3Å; P683-I687 VanDerWaalsContact O-N 3.16Å; Q685-I687 PolarHBondContact O-N 3Å; I687-A690 PolarHBondContact O-N 2.81Å; I687-Y691 WeakPolarHBondContact O-CB 3.5Å; I687-Y691 PolarHBondContact O-N 3.33Å
688	W	89.5	Confident	88.4	Confident	29 Å²	29	73.2 Å²	73.2	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-64.7	-45.3	-179.3	176.7	-117.8	0	0	0	112.7	A666 G667 V670 L684 Q685 M686 Y691 V692 V702 Q704	A666-W688 HydrophobicContact CB-CB 4.3Å; G667-W688 VanDerWaalsContact CA-CZ3 3.49Å; G667-W688 VanDerWaalsContact N-CE3 3.32Å; V670-W688 HydrophobicContact CG2-CB 4.01Å; V670-W688 HydrophobicContact CG2-CG 4.19Å; L684-W688 PolarHBondContact O-N 3.32Å; L684-W688 VanDerWaalsContact O-N 3.13Å; Q685-W688 PolarHBondContact O-N 2.73Å; M686-W688 VanDerWaalsContact C-N 3.34Å; W688-Y691 AromaticContact CE3-CD1 3.95Å; W688-Y691 HydrophobicContact CE3-CD1 3.95Å; W688-Y691 HydrophobicContact CH2-CD1 4.39Å; W688-Y691 AromaticContact CZ3-CD1 3.56Å; W688-Y691 HydrophobicContact CZ3-CD1 3.56Å; W688-Y691 AromaticContact CZ3-CE1 3.94Å; W688-Y691 HydrophobicContact CZ3-CE1 3.94Å; W688-Y691 PolarHBondContact O-N 3.22Å; W688-V692 HydrophobicContact CD2-CG2 3.91Å; W688-V692 VanDerWaalsContact CE2-CG2 3.45Å; W688-V692 HydrophobicContact CE3-CG2 4.26Å; W688-V692 HydrophobicContact CH2-CG2 3.91Å; W688-V692 HydrophobicContact CZ2-CG2 3.43Å; W688-V692 VanDerWaalsContact CZ2-CG2 3.43Å; W688-V692 HydrophobicContact CZ3-CG2 4.28Å; W688-V692 WeakPolarHBondContact O-CG2 3.25Å; W688-V692 PolarHBondContact O-N 3.1Å; W688-V702 HydrophobicContact CH2-CG1 3.45Å; W688-V702 VanDerWaalsContact CH2-CG1 3.45Å; W688-V702 HydrophobicContact CZ2-CG1 4.18Å; W688-V702 HydrophobicContact CZ3-CG1 4.19Å; W688-Q704 HydrophobicContact CH2-CG 4.06Å; W688-Q704 HydrophobicContact CZ2-CG 3.44Å; W688-Q704 VanDerWaalsContact CZ2-CG 3.44Å
689	E	89.6	Confident	87.7	Confident	104 Å²	104	74.1 Å²	74.1	49%	0.486	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-39.7	176.8	-73	177.8	-176.6	0	0	112	Q685 K693	Q685-E689 HydrophobicContact CG-CG 4.25Å; Q685-E689 VanDerWaalsContact CG-OE1 3.31Å; Q685-E689 WeakPolarHBondContact CG-OE1 3.49Å; Q685-E689 PolarHBondContact NE2-OE1 3.49Å; Q685-E689 WeakPolarHBondContact O-CB 3.45Å; Q685-E689 WeakPolarHBondContact O-CG 3.15Å; Q685-E689 PolarHBondContact O-N 3.41Å; E689-K693 VanDerWaalsContact O-CB 3.24Å; E689-K693 WeakPolarHBondContact O-CB 3.28Å; E689-K693 PolarHBondContact O-N 2.95Å
690	A	89.2	Confident	86.9	Confident	58 Å²	58	70.5 Å²	70.5	48%	0.479	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-45.2	173.6	0	0	0	0	0	111.8	M686 I687 K693 Q694	M686-A690 VanDerWaalsContact O-CB 3.26Å; M686-A690 WeakPolarHBondContact O-CB 3.42Å; M686-A690 PolarHBondContact O-N 2.87Å; I687-A690 PolarHBondContact O-N 2.81Å; A690-K693 PolarHBondContact O-N 3.38Å; A690-Q694 WeakPolarHBondContact O-CB 3.45Å; A690-Q694 PolarHBondContact O-N 3.25Å
691	Y	86.5	Confident	85.8	Confident	46 Å²	46	74.2 Å²	74.2	18%	0.18	42%	0.416	C	S	.	.	H	α-helix	trans	-65.1	-44	177.4	177.8	-99.4	0	0	0	112.8	E663 I687 W688 K693 Q694 M695 V702	E663-Y691 HydrophobicContact CB-CD2 3.65Å; E663-Y691 HydrophobicContact CB-CE2 4.43Å; E663-Y691 HydrophobicContact CB-CG 3.9Å; I687-Y691 WeakPolarHBondContact O-CB 3.5Å; I687-Y691 PolarHBondContact O-N 3.33Å; W688-Y691 AromaticContact CE3-CD1 3.95Å; W688-Y691 HydrophobicContact CE3-CD1 3.95Å; W688-Y691 HydrophobicContact CH2-CD1 4.39Å; W688-Y691 AromaticContact CZ3-CD1 3.56Å; W688-Y691 HydrophobicContact CZ3-CD1 3.56Å; W688-Y691 AromaticContact CZ3-CE1 3.94Å; W688-Y691 HydrophobicContact CZ3-CE1 3.94Å; W688-Y691 PolarHBondContact O-N 3.22Å; Y691-K693 VanDerWaalsContact C-N 3.31Å; Y691-K693 PolarHBondContact O-N 3.37Å; Y691-Q694 PolarHBondContact O-N 3.1Å; Y691-M695 HydrophobicContact CD1-CG 4.26Å; Y691-M695 HydrophobicContact CD2-CG 4.27Å; Y691-M695 HydrophobicContact CE1-CG 3.85Å; Y691-M695 HydrophobicContact CE2-CE 4.18Å; Y691-M695 HydrophobicContact CE2-CG 3.87Å; Y691-M695 HydrophobicContact CE2-SD 4.18Å; Y691-M695 HydrophobicContact CG-CG 4.45Å; Y691-M695 WeakPolarHBondContact O-CB 3.34Å; Y691-M695 VanDerWaalsContact O-CG 3.32Å; Y691-M695 WeakPolarHBondContact O-CG 3.48Å; Y691-M695 PolarHBondContact O-N 3.05Å; Y691-V702 HydrophobicContact CE1-CG1 4.01Å; Y691-V702 HydrophobicContact CE1-CG2 4.3Å
692	V	86.5	Confident	84.5	Confident	53 Å²	53	75 Å²	75	32%	0.321	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-42.3	174.8	169.9	0	0	0	0	110.7	W688 A696 V702	W688-V692 HydrophobicContact CD2-CG2 3.91Å; W688-V692 VanDerWaalsContact CE2-CG2 3.45Å; W688-V692 HydrophobicContact CE3-CG2 4.26Å; W688-V692 HydrophobicContact CH2-CG2 3.91Å; W688-V692 HydrophobicContact CZ2-CG2 3.43Å; W688-V692 VanDerWaalsContact CZ2-CG2 3.43Å; W688-V692 HydrophobicContact CZ3-CG2 4.28Å; W688-V692 WeakPolarHBondContact O-CG2 3.25Å; W688-V692 PolarHBondContact O-N 3.1Å; V692-A696 VanDerWaalsContact O-CB 3.23Å; V692-A696 WeakPolarHBondContact O-CB 3.27Å; V692-A696 PolarHBondContact O-N 2.93Å; V692-V702 HydrophobicContact CG2-CB 4.48Å
693	K	88.3	Confident	83.1	Confident	164 Å²	164	77.5 Å²	77.5	71%	0.713	43%	0.426	S	S	*	.	H	α-helix	trans	-65.1	-42.4	176.5	-175.6	179.2	178.6	-177.2	0	112.4	E689 A690 Y691 A696 S697	E689-K693 VanDerWaalsContact O-CB 3.24Å; E689-K693 WeakPolarHBondContact O-CB 3.28Å; E689-K693 PolarHBondContact O-N 2.95Å; A690-K693 PolarHBondContact O-N 3.38Å; Y691-K693 VanDerWaalsContact C-N 3.31Å; Y691-K693 PolarHBondContact O-N 3.37Å; K693-A696 PolarHBondContact O-N 2.68Å; K693-S697 PolarHBondContact O-N 2.99Å
694	Q	86.1	Confident	81.4	Confident	103 Å²	103	78 Å²	78	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-62.3	-54.3	175.7	-177.4	-171.8	-25.9	0	0	110.8	A690 Y691 A696 S697 E698	A690-Q694 WeakPolarHBondContact O-CB 3.45Å; A690-Q694 PolarHBondContact O-N 3.25Å; Y691-Q694 PolarHBondContact O-N 3.1Å; Q694-A696 VanDerWaalsContact C-N 3.26Å; Q694-A696 PolarHBondContact O-N 3.45Å; Q694-S697 CarbonylContact O-C 3.39Å; Q694-S697 WeakPolarHBondContact O-CA 3.49Å; Q694-S697 WeakPolarHBondContact O-CB 3.39Å; Q694-S697 PolarHBondContact O-N 2.89Å; Q694-S697 PolarHBondContact O-OG 3.4Å; Q694-E698 WeakPolarHBondContact CG-OE1 3.44Å; Q694-E698 PolarHBondContact NE2-OE1 2.69Å; Q694-E698 PolarHBondContact O-N 3.4Å
695	M	83.3	Confident	79.3	Confident	22 Å²	22	80.7 Å²	80.7	11%	0.108	45%	0.45	C	S	.	.	H	α-helix	trans	-60	-36.7	179.4	-69.1	-66	104.6	0	0	112.2	Y691 E698 G699 K700 V702	Y691-M695 HydrophobicContact CD1-CG 4.26Å; Y691-M695 HydrophobicContact CD2-CG 4.27Å; Y691-M695 HydrophobicContact CE1-CG 3.85Å; Y691-M695 HydrophobicContact CE2-CE 4.18Å; Y691-M695 HydrophobicContact CE2-CG 3.87Å; Y691-M695 HydrophobicContact CE2-SD 4.18Å; Y691-M695 HydrophobicContact CG-CG 4.45Å; Y691-M695 WeakPolarHBondContact O-CB 3.34Å; Y691-M695 VanDerWaalsContact O-CG 3.32Å; Y691-M695 WeakPolarHBondContact O-CG 3.48Å; Y691-M695 PolarHBondContact O-N 3.05Å; M695-E698 VanDerWaalsContact CE-CD 3.46Å; M695-E698 WeakPolarHBondContact CE-OE1 3.29Å; M695-E698 WeakPolarHBondContact CE-OE2 3.14Å; M695-E698 CarbonylContact O-C 3.58Å; M695-E698 PolarHBondContact O-N 3.12Å; M695-G699 PolarHBondContact O-N 2.99Å; M695-K700 CarbonylContact C-O 3.12Å; M695-K700 HydrophobicContact CB-CB 4.35Å; M695-K700 WeakPolarHBondContact O-CB 3.41Å; M695-K700 PolarHBondContact O-N 3.27Å; M695-K700 HydrophobicContact SD-CD 3.98Å; M695-V702 HydrophobicContact CB-CG2 3.22Å; M695-V702 HydrophobicContact CG-CG2 3.62Å
696	A	84.3	Confident	77	Confident	65 Å²	65	79.1 Å²	79.1	54%	0.537	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-38.8	172.4	0	0	0	0	0	112.5	V692 K693 Q694 E698 G699	V692-A696 VanDerWaalsContact O-CB 3.23Å; V692-A696 WeakPolarHBondContact O-CB 3.27Å; V692-A696 PolarHBondContact O-N 2.93Å; K693-A696 PolarHBondContact O-N 2.68Å; Q694-A696 VanDerWaalsContact C-N 3.26Å; Q694-A696 PolarHBondContact O-N 3.45Å; A696-E698 VanDerWaalsContact C-N 3.27Å; A696-E698 PolarHBondContact O-N 3.36Å; A696-G699 PolarHBondContact O-N 3.33Å
697	S	85.1	Confident	74.9	Confident	101 Å²	101	75 Å²	75	71%	0.706	44%	0.44	S	S	*	.	H	α-helix	trans	-68.2	-25.4	173.1	73.3	0	0	0	0	113.4	K693 Q694 G699	K693-S697 PolarHBondContact O-N 2.99Å; Q694-S697 CarbonylContact O-C 3.39Å; Q694-S697 WeakPolarHBondContact O-CA 3.49Å; Q694-S697 WeakPolarHBondContact O-CB 3.39Å; Q694-S697 PolarHBondContact O-N 2.89Å; Q694-S697 PolarHBondContact O-OG 3.4Å; S697-G699 VanDerWaalsContact C-N 3.26Å; S697-G699 PolarHBondContact O-N 3.1Å
698	E	84.2	Confident	72.8	Confident	79 Å²	79	79.9 Å²	79.9	37%	0.369	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.4	169.2	-63.5	176.8	-149.6	0	0	113.3	Q694 M695 A696 K700	Q694-E698 WeakPolarHBondContact CG-OE1 3.44Å; Q694-E698 PolarHBondContact NE2-OE1 2.69Å; Q694-E698 PolarHBondContact O-N 3.4Å; M695-E698 VanDerWaalsContact CE-CD 3.46Å; M695-E698 WeakPolarHBondContact CE-OE1 3.29Å; M695-E698 WeakPolarHBondContact CE-OE2 3.14Å; M695-E698 CarbonylContact O-C 3.58Å; M695-E698 PolarHBondContact O-N 3.12Å; A696-E698 VanDerWaalsContact C-N 3.27Å; A696-E698 PolarHBondContact O-N 3.36Å; E698-K700 VanDerWaalsContact C-N 3.29Å; E698-K700 HydrophobicContact CB-CD 4.05Å; E698-K700 HydrophobicContact CB-CG 4.4Å; E698-K700 PolarHBondContact O-N 3.49Å; E698-K700 WeakPolarHBondContact OE2-CE 3.22Å; E698-K700 IonicContact OE2-NZ 3.76Å; E698-K700 PolarHBondContact OE2-NZ 3.34Å
699	G	73.9	Confident	70.5	Confident	68 Å²	68	81.3 Å²	81.3	70%	0.701	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	10	-179.6	0	0	0	0	0	115.4	M695 A696 S697	M695-G699 PolarHBondContact O-N 2.99Å; A696-G699 PolarHBondContact O-N 3.33Å; S697-G699 VanDerWaalsContact C-N 3.26Å; S697-G699 PolarHBondContact O-N 3.1Å
700	K	73.6	Confident	68	Low	114 Å²	114	79 Å²	79	50%	0.496	49%	0.486	S	S	.	.			trans	-98.2	122.2	-173.3	-64.2	164.5	-172.5	169	0	111.2	M695 E698 V702	M695-K700 CarbonylContact C-O 3.12Å; M695-K700 HydrophobicContact CB-CB 4.35Å; M695-K700 WeakPolarHBondContact O-CB 3.41Å; M695-K700 PolarHBondContact O-N 3.27Å; M695-K700 HydrophobicContact SD-CD 3.98Å; E698-K700 VanDerWaalsContact C-N 3.29Å; E698-K700 HydrophobicContact CB-CD 4.05Å; E698-K700 HydrophobicContact CB-CG 4.4Å; E698-K700 PolarHBondContact O-N 3.49Å; E698-K700 WeakPolarHBondContact OE2-CE 3.22Å; E698-K700 IonicContact OE2-NZ 3.76Å; E698-K700 PolarHBondContact OE2-NZ 3.34Å; K700-V702 PolarHBondContact O-N 3.12Å
701	T	67.8	Low	65.5	Low	115 Å²	115	83.8 Å²	83.8	71%	0.706	50%	0.498	S	S	*	.			trans	-80	106.5	176.9	53.2	0	0	0	0	112	K703	T701-K703 PolarHBondContact O-N 3.36Å
702	V	64.1	Low	63	Low	48 Å²	48	84.9 Å²	84.9	29%	0.291	52%	0.524	S	S	.	.			trans	-76.6	91.8	179.9	-170	0	0	0	0	111.1	W688 Y691 V692 M695 K700 Q704	W688-V702 HydrophobicContact CH2-CG1 3.45Å; W688-V702 VanDerWaalsContact CH2-CG1 3.45Å; W688-V702 HydrophobicContact CZ2-CG1 4.18Å; W688-V702 HydrophobicContact CZ3-CG1 4.19Å; Y691-V702 HydrophobicContact CE1-CG1 4.01Å; Y691-V702 HydrophobicContact CE1-CG2 4.3Å; V692-V702 HydrophobicContact CG2-CB 4.48Å; M695-V702 HydrophobicContact CB-CG2 3.22Å; M695-V702 HydrophobicContact CG-CG2 3.62Å; K700-V702 PolarHBondContact O-N 3.12Å; V702-Q704 PolarHBondContact O-N 2.98Å
703	K	61.5	Low	60.6	Low	170 Å²	170	90.2 Å²	90.2	74%	0.739	54%	0.539	S	S	*	.			trans	-82.2	112.8	176.9	-64.4	-179.6	-177.2	177.9	0	110.6	T701 G705	T701-K703 PolarHBondContact O-N 3.36Å; K703-G705 PolarHBondContact O-N 3.43Å
704	Q	54.3	Low	58.1	Low	83 Å²	83	89.9 Å²	89.9	39%	0.388	54%	0.537	S	S	.	.	S	Bend	trans	-66.9	50.5	173.3	-70.7	178.5	-47	0	0	113.5	K671 W688 V702	K671-Q704 PolarHBondContact NZ-O 2.92Å; W688-Q704 HydrophobicContact CH2-CG 4.06Å; W688-Q704 HydrophobicContact CZ2-CG 3.44Å; W688-Q704 VanDerWaalsContact CZ2-CG 3.44Å; V702-Q704 PolarHBondContact O-N 2.98Å
705	G	46.9	Very low	55.9	Low	58 Å²	58	89.2 Å²	89.2	60%	0.598	53%	0.533	S	S	*	.			trans	-167.8	31.9	-170	0	0	0	0	0	114.6	K703 G707	K703-G705 PolarHBondContact O-N 3.43Å; G705-G707 PolarHBondContact O-N 2.96Å
706	G	43.1	Very low	54.3	Low	41 Å²	41	94.1 Å²	94.1	42%	0.423	56%	0.56	S	S	.	*			trans	-96.7	42.5	-173.6	0	0	0	0	0	115.9	Y708 G709	G706-Y708 PolarHBondContact O-N 2.93Å; G706-Y708 VanDerWaalsContact O-N 3.12Å; G706-G709 PolarHBondContact O-N 2.6Å
707	G	45.1	Very low	52.7	Low	27 Å²	27	99 Å²	99	28%	0.278	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.5	113.2	-178.9	0	0	0	0	0	112.7	Q500 G705 G709	Q500-G707 PolarHBondContact NE2-O 3.35Å; G705-G707 PolarHBondContact O-N 2.96Å; G707-G709 PolarHBondContact O-N 3.35Å
708	Y	45.6	Very low	51.6	Low	129 Å²	129	97.5 Å²	97.5	51%	0.506	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	44.7	42.9	-167.3	-104.4	-91.8	0	0	0	112.8	Q500 G706 G710	Q500-Y708 HydrophobicContact CG-CG 4.44Å; Q500-Y708 PolarHBondContact NE2-O 3.11Å; G706-Y708 PolarHBondContact O-N 2.93Å; G706-Y708 VanDerWaalsContact O-N 3.12Å; Y708-G710 PolarHBondContact O-N 3.41Å
709	G	41.4	Very low	50.4	Low	59 Å²	59	97 Å²	97	61%	0.608	56%	0.563	S	S	*	*			trans	-77.9	-0.4	176.5	0	0	0	0	0	114.7	G706 G707	G706-G709 PolarHBondContact O-N 2.6Å; G707-G709 PolarHBondContact O-N 3.35Å
710	G	38.2	Very low	49.7	Very low	55 Å²	55	95.7 Å²	95.7	57%	0.567	55%	0.545	S	S	*	.	S	Bend	trans	-66.6	132	168.9	0	0	0	0	0	110.2	Y708 G712	Y708-G710 PolarHBondContact O-N 3.41Å; G710-G712 PolarHBondContact O-N 2.86Å
711	H	36.3	Very low	49.3	Very low	159 Å²	159	96.5 Å²	96.5	74%	0.736	55%	0.551	S	S	*	*			trans	-56.1	101.9	146.7	-117.3	63.2	0	0	0	105.2	Y713	H711-Y713 PolarHBondContact O-N 3.35Å
712	G	33.6	Very low	49.3	Very low	70 Å²	70	93.5 Å²	93.5	72%	0.722	54%	0.538	S	S	*	.			trans	-57.9	118.7	-179.7	0	0	0	0	0	107.4	G710 K714	G710-G712 PolarHBondContact O-N 2.86Å; G712-K714 PolarHBondContact O-N 2.99Å
713	Y	36.4	Very low	49.3	Very low	165 Å²	165	93.4 Å²	93.4	65%	0.647	54%	0.537	S	S	*	.			trans	-30.3	101	-159.3	-104	-79.5	0	0	0	111.7	H711 F715 E719	H711-Y713 PolarHBondContact O-N 3.35Å; Y713-F715 HydrophobicContact CD1-CD1 4.18Å; Y713-F715 HydrophobicContact CD1-CE1 4.2Å; Y713-F715 HydrophobicContact CG-CE1 4.24Å; Y713-F715 PolarHBondContact O-N 3.19Å; Y713-E719 VanDerWaalsContact CD1-OE2 3.23Å; Y713-E719 WeakPolarHBondContact CD1-OE2 3.03Å; Y713-E719 VanDerWaalsContact CE1-CD 3.49Å; Y713-E719 VanDerWaalsContact CE1-OE1 3.28Å; Y713-E719 WeakPolarHBondContact CE1-OE1 3.44Å; Y713-E719 WeakPolarHBondContact CE1-OE2 2.94Å
714	K	36.4	Very low	49.5	Very low	156 Å²	156	90.8 Å²	90.8	68%	0.678	53%	0.526	S	S	*	.			trans	-67.6	90	151	-81.3	-165.5	-179	-177.8	0	103.6	G712 D716	G712-K714 PolarHBondContact O-N 2.99Å; K714-D716 PolarHBondContact O-N 3.26Å
715	F	38.3	Very low	49.9	Very low	89 Å²	89	88.9 Å²	88.9	39%	0.39	52%	0.522	S	S	.	.			trans	-54.5	110.9	157.2	-70.3	-52.1	0	0	0	106.5	Y713 E719 A720 V723	Y713-F715 HydrophobicContact CD1-CD1 4.18Å; Y713-F715 HydrophobicContact CD1-CE1 4.2Å; Y713-F715 HydrophobicContact CG-CE1 4.24Å; Y713-F715 PolarHBondContact O-N 3.19Å; F715-E719 HydrophobicContact CD1-CB 3.96Å; F715-E719 HydrophobicContact CD1-CG 3.82Å; F715-E719 HydrophobicContact CE1-CG 4.27Å; F715-A720 HydrophobicContact CB-CB 3.56Å; F715-A720 HydrophobicContact CD2-CB 4.26Å; F715-A720 HydrophobicContact CG-CB 4Å; F715-V723 HydrophobicContact CE1-CB 3.98Å; F715-V723 HydrophobicContact CE1-CG2 3.56Å; F715-V723 HydrophobicContact CZ-CB 3.9Å; F715-V723 HydrophobicContact CZ-CG1 3.98Å; F715-V723 HydrophobicContact CZ-CG2 3.86Å
716	D	49.6	Very low	50.9	Low	126 Å²	126	92 Å²	92	67%	0.674	52%	0.519	S	S	*	.			trans	-53.5	149.6	151.3	-66.6	-24.5	0	0	0	107	K714 A718 E719 A720	K714-D716 PolarHBondContact O-N 3.26Å; D716-A718 PolarHBondContact O-N 3.25Å; D716-A718 VanDerWaalsContact O-N 3.08Å; D716-E719 WeakPolarHBondContact O-CA 3.32Å; D716-E719 PolarHBondContact O-N 3.28Å; D716-A720 PolarHBondContact O-N 2.89Å
717	E	51.6	Low	51.7	Low	167 Å²	167	98.2 Å²	98.2	78%	0.78	53%	0.529	S	S	*	.	H	α-helix	trans	-54	-41.2	-166.2	-156.4	157.5	-150	0	0	112	E719 A720 E721	E717-E719 PolarHBondContact O-N 3.31Å; E717-A720 WeakPolarHBondContact O-CB 3.18Å; E717-A720 PolarHBondContact O-N 3.29Å; E717-E721 WeakPolarHBondContact O-CG 3.37Å; E717-E721 PolarHBondContact O-N 3.39Å
718	A	60.9	Low	52.4	Low	69 Å²	69	99 Å²	99	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-64	-27.6	173	0	0	0	0	0	115.6	D716 A722	D716-A718 PolarHBondContact O-N 3.25Å; D716-A718 VanDerWaalsContact O-N 3.08Å; A718-A722 WeakPolarHBondContact O-CB 3.22Å; A718-A722 PolarHBondContact O-N 2.93Å
719	E	59.1	Low	52.7	Low	70 Å²	70	98.1 Å²	98.1	33%	0.327	53%	0.533	S	S	.	.	H	α-helix	trans	-85.2	-28.7	176.1	-159.1	-176	-148.1	0	0	111.7	Y713 F715 D716 E717 A722 V723	Y713-E719 VanDerWaalsContact CD1-OE2 3.23Å; Y713-E719 WeakPolarHBondContact CD1-OE2 3.03Å; Y713-E719 VanDerWaalsContact CE1-CD 3.49Å; Y713-E719 VanDerWaalsContact CE1-OE1 3.28Å; Y713-E719 WeakPolarHBondContact CE1-OE1 3.44Å; Y713-E719 WeakPolarHBondContact CE1-OE2 2.94Å; F715-E719 HydrophobicContact CD1-CB 3.96Å; F715-E719 HydrophobicContact CD1-CG 3.82Å; F715-E719 HydrophobicContact CE1-CG 4.27Å; D716-E719 WeakPolarHBondContact O-CA 3.32Å; D716-E719 PolarHBondContact O-N 3.28Å; E717-E719 PolarHBondContact O-N 3.31Å; E719-A722 PolarHBondContact O-N 2.78Å; E719-V723 PolarHBondContact O-N 2.86Å
720	A	59.8	Low	53.6	Low	40 Å²	40	100 Å²	100	33%	0.331	53%	0.526	S	S	.	.	H	α-helix	trans	-64.8	-45.3	167.7	0	0	0	0	0	109.5	F715 D716 E717 V723 K724	F715-A720 HydrophobicContact CB-CB 3.56Å; F715-A720 HydrophobicContact CD2-CB 4.26Å; F715-A720 HydrophobicContact CG-CB 4Å; D716-A720 PolarHBondContact O-N 2.89Å; E717-A720 WeakPolarHBondContact O-CB 3.18Å; E717-A720 PolarHBondContact O-N 3.29Å; A720-V723 PolarHBondContact O-N 3.04Å; A720-K724 WeakPolarHBondContact O-CB 3.38Å; A720-K724 PolarHBondContact O-N 3.04Å
721	E	65.3	Low	54.5	Low	130 Å²	130	101.3 Å²	101.3	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-60	-43.1	170.9	-71.8	178	153.7	0	0	111.5	E717 V723 K724 S725	E717-E721 WeakPolarHBondContact O-CG 3.37Å; E717-E721 PolarHBondContact O-N 3.39Å; E721-V723 PolarHBondContact O-N 2.75Å; E721-K724 PolarHBondContact O-N 3.04Å; E721-S725 WeakPolarHBondContact O-CA 3.46Å; E721-S725 WeakPolarHBondContact O-CB 3.28Å; E721-S725 PolarHBondContact O-N 2.88Å
722	A	67.8	Low	55.3	Low	52 Å²	52	99.6 Å²	99.6	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-62.4	-38.6	176.9	0	0	0	0	0	112.9	A718 E719 K726	A718-A722 WeakPolarHBondContact O-CB 3.22Å; A718-A722 PolarHBondContact O-N 2.93Å; E719-A722 PolarHBondContact O-N 2.78Å; A722-K726 VanDerWaalsContact O-CB 3.24Å; A722-K726 WeakPolarHBondContact O-CB 3.38Å; A722-K726 PolarHBondContact O-N 3.48Å
723	V	65.1	Low	56.4	Low	46 Å²	46	101.8 Å²	101.8	28%	0.279	51%	0.51	S	S	.	.	H	α-helix	trans	-81.8	-31.9	177.7	174	0	0	0	0	112.8	F715 E719 A720 E721 R727	F715-V723 HydrophobicContact CE1-CB 3.98Å; F715-V723 HydrophobicContact CE1-CG2 3.56Å; F715-V723 HydrophobicContact CZ-CB 3.9Å; F715-V723 HydrophobicContact CZ-CG1 3.98Å; F715-V723 HydrophobicContact CZ-CG2 3.86Å; E719-V723 PolarHBondContact O-N 2.86Å; A720-V723 PolarHBondContact O-N 3.04Å; E721-V723 PolarHBondContact O-N 2.75Å; V723-R727 VanDerWaalsContact O-CB 3.32Å; V723-R727 WeakPolarHBondContact O-CB 3.36Å; V723-R727 WeakPolarHBondContact O-CG 3.3Å; V723-R727 PolarHBondContact O-N 2.99Å
724	K	64.1	Low	57.1	Low	116 Å²	116	101.1 Å²	101.1	50%	0.504	51%	0.513	S	S	.	.	H	α-helix	trans	-63.2	-46.5	167.5	-171.1	-173.4	175.1	-169.5	0	109.6	A720 E721 R727 S728 D742	A720-K724 WeakPolarHBondContact O-CB 3.38Å; A720-K724 PolarHBondContact O-N 3.04Å; E721-K724 PolarHBondContact O-N 3.04Å; K724-R727 PolarHBondContact O-N 2.85Å; K724-S728 VanDerWaalsContact O-CB 3.25Å; K724-S728 WeakPolarHBondContact O-CB 3.2Å; K724-S728 PolarHBondContact O-N 2.99Å; K724-D742 WeakPolarHBondContact CE-OD1 3.43Å; K724-D742 IonicContact NZ-OD1 2.75Å; K724-D742 PolarHBondContact NZ-OD1 3.23Å; K724-D742 IonicContact NZ-OD2 2.68Å
725	S	63.1	Low	57.4	Low	43 Å²	43	97.2 Å²	97.2	30%	0.301	52%	0.517	S	S	.	.	H	α-helix	trans	-61	-50.6	176.9	-179.1	0	0	0	0	111.6	E721 R727 S728 M729	E721-S725 WeakPolarHBondContact O-CA 3.46Å; E721-S725 WeakPolarHBondContact O-CB 3.28Å; E721-S725 PolarHBondContact O-N 2.88Å; S725-R727 PolarHBondContact O-N 3.41Å; S725-S728 PolarHBondContact O-N 3.21Å; S725-M729 VanDerWaalsContact O-CB 3.3Å; S725-M729 WeakPolarHBondContact O-CB 3.2Å; S725-M729 PolarHBondContact O-N 3.49Å
726	K	68.2	Low	57.8	Low	123 Å²	123	98.6 Å²	98.6	54%	0.535	53%	0.527	S	S	.	.	H	α-helix	trans	-58.5	-45.9	176	178	170.2	172	171.9	0	112.1	A722 S728 M729 E730	A722-K726 VanDerWaalsContact O-CB 3.24Å; A722-K726 WeakPolarHBondContact O-CB 3.38Å; A722-K726 PolarHBondContact O-N 3.48Å; K726-S728 PolarHBondContact O-N 3.39Å; K726-M729 PolarHBondContact O-N 2.89Å; K726-E730 WeakPolarHBondContact CE-OE1 3.42Å; K726-E730 HydrophobicContact CG-CG 4.35Å; K726-E730 IonicContact NZ-OE1 2.68Å; K726-E730 WeakPolarHBondContact O-CB 3.3Å; K726-E730 VanDerWaalsContact O-CG 3.29Å; K726-E730 WeakPolarHBondContact O-CG 3.12Å; K726-E730 PolarHBondContact O-N 3.04Å
727	R	60.5	Low	57.6	Low	171 Å²	171	101.3 Å²	101.3	65%	0.645	54%	0.536	S	S	*	.	H	α-helix	trans	-67	-34.3	177	-77.1	178	166.2	179.3	-2.6	113.2	V723 K724 S725 K731	V723-R727 VanDerWaalsContact O-CB 3.32Å; V723-R727 WeakPolarHBondContact O-CB 3.36Å; V723-R727 WeakPolarHBondContact O-CG 3.3Å; V723-R727 PolarHBondContact O-N 2.99Å; K724-R727 PolarHBondContact O-N 2.85Å; S725-R727 PolarHBondContact O-N 3.41Å; R727-K731 WeakPolarHBondContact O-CB 3.48Å; R727-K731 WeakPolarHBondContact O-CG 3.44Å; R727-K731 PolarHBondContact O-N 3.07Å
728	S	58.9	Low	57.1	Low	45 Å²	45	95.3 Å²	95.3	32%	0.315	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-43.1	174.1	-169.4	0	0	0	0	110.6	K724 S725 K726 K731 L732	K724-S728 VanDerWaalsContact O-CB 3.25Å; K724-S728 WeakPolarHBondContact O-CB 3.2Å; K724-S728 PolarHBondContact O-N 2.99Å; S725-S728 PolarHBondContact O-N 3.21Å; K726-S728 PolarHBondContact O-N 3.39Å; S728-K731 WeakPolarHBondContact O-CB 3.38Å; S728-K731 PolarHBondContact O-N 3.23Å; S728-L732 VanDerWaalsContact O-CB 3.31Å; S728-L732 WeakPolarHBondContact O-CB 3.47Å; S728-L732 PolarHBondContact O-N 3.38Å
729	M	53.1	Low	56.3	Low	110 Å²	110	93.6 Å²	93.6	54%	0.542	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.8	-167.3	-175	-57.6	0	0	112.2	S725 K726 L732 V733	S725-M729 VanDerWaalsContact O-CB 3.3Å; S725-M729 WeakPolarHBondContact O-CB 3.2Å; S725-M729 PolarHBondContact O-N 3.49Å; K726-M729 PolarHBondContact O-N 2.89Å; M729-L732 PolarHBondContact O-N 3Å; M729-V733 WeakPolarHBondContact O-CB 3.37Å; M729-V733 VanDerWaalsContact O-CG2 3.28Å; M729-V733 WeakPolarHBondContact O-CG2 3.27Å; M729-V733 PolarHBondContact O-N 3.13Å
730	E	59	Low	56	Low	99 Å²	99	96.5 Å²	96.5	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-60.7	-44.5	173.9	-75.5	169.9	161.6	0	0	111.5	K726 H734	K726-E730 WeakPolarHBondContact CE-OE1 3.42Å; K726-E730 HydrophobicContact CG-CG 4.35Å; K726-E730 IonicContact NZ-OE1 2.68Å; K726-E730 WeakPolarHBondContact O-CB 3.3Å; K726-E730 VanDerWaalsContact O-CG 3.29Å; K726-E730 WeakPolarHBondContact O-CG 3.12Å; K726-E730 PolarHBondContact O-N 3.04Å; E730-H734 PolarHBondContact O-N 3.45Å; E730-H734 VanDerWaalsContact O-N 3.14Å
731	K	56.8	Low	55.8	Low	82 Å²	82	100.3 Å²	100.3	36%	0.357	53%	0.532	S	S	.	.	H	α-helix	trans	-59.6	-47.1	171.8	-77.5	178.5	174.8	-167.8	0	112.2	R727 S728 V733 H734 G735 L736	R727-K731 WeakPolarHBondContact O-CB 3.48Å; R727-K731 WeakPolarHBondContact O-CG 3.44Å; R727-K731 PolarHBondContact O-N 3.07Å; S728-K731 WeakPolarHBondContact O-CB 3.38Å; S728-K731 PolarHBondContact O-N 3.23Å; K731-V733 PolarHBondContact O-N 3.24Å; K731-H734 CarbonylContact O-C 3.58Å; K731-H734 PolarHBondContact O-N 2.7Å; K731-G735 PolarHBondContact O-N 3.27Å; K731-G735 VanDerWaalsContact O-N 3.11Å; K731-L736 PolarHBondContact O-N 2.83Å; K731-L736 VanDerWaalsContact O-N 3.08Å
732	L	52.9	Low	55.5	Low	122 Å²	122	96.2 Å²	96.2	64%	0.639	51%	0.514	S	S	*	.	H	α-helix	trans	-63	-41.9	-177	-158.4	79.9	0	0	0	111.6	S728 M729 H734 G735	S728-L732 VanDerWaalsContact O-CB 3.31Å; S728-L732 WeakPolarHBondContact O-CB 3.47Å; S728-L732 PolarHBondContact O-N 3.38Å; M729-L732 PolarHBondContact O-N 3Å; L732-H734 VanDerWaalsContact C-N 3.32Å; L732-G735 PolarHBondContact O-N 3.13Å
733	V	58.1	Low	55.3	Low	116 Å²	116	96.8 Å²	96.8	70%	0.703	51%	0.507	S	S	*	.	H	α-helix	trans	-68.4	-29.7	176.1	169.7	0	0	0	0	112.2	M729 K731	M729-V733 WeakPolarHBondContact O-CB 3.37Å; M729-V733 VanDerWaalsContact O-CG2 3.28Å; M729-V733 WeakPolarHBondContact O-CG2 3.27Å; M729-V733 PolarHBondContact O-N 3.13Å; K731-V733 PolarHBondContact O-N 3.24Å
734	H	51.2	Low	55.4	Low	152 Å²	152	101 Å²	101	70%	0.704	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	9.2	175.4	-97.4	45.1	0	0	0	114.7	E730 K731 L732 L736	E730-H734 PolarHBondContact O-N 3.45Å; E730-H734 VanDerWaalsContact O-N 3.14Å; K731-H734 CarbonylContact O-C 3.58Å; K731-H734 PolarHBondContact O-N 2.7Å; L732-H734 VanDerWaalsContact C-N 3.32Å; H734-L736 HydrophobicContact CB-CD1 4.34Å; H734-L736 PolarHBondContact O-N 3.2Å; H734-L736 VanDerWaalsContact O-N 3.09Å
735	G	42.1	Very low	55.9	Low	73 Å²	73	100.8 Å²	100.8	75%	0.753	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	15	177.7	0	0	0	0	0	114.9	K731 L732	K731-G735 PolarHBondContact O-N 3.27Å; K731-G735 VanDerWaalsContact O-N 3.11Å; L732-G735 PolarHBondContact O-N 3.13Å
736	L	46.4	Very low	56.4	Low	118 Å²	118	100 Å²	100	62%	0.618	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-90.6	129.7	-180	-90.1	148.4	0	0	0	109.6	K731 H734	K731-L736 PolarHBondContact O-N 2.83Å; K731-L736 VanDerWaalsContact O-N 3.08Å; H734-L736 HydrophobicContact CB-CD1 4.34Å; H734-L736 PolarHBondContact O-N 3.2Å; H734-L736 VanDerWaalsContact O-N 3.09Å
737	Q	45.1	Very low	56.8	Low	183 Å²	183	96.3 Å²	96.3	86%	0.855	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-52.6	143.2	-170.1	-68.5	172.1	-72.4	0	0	112.9
738	A	40.8	Very low	57.7	Low	41 Å²	41	93.6 Å²	93.6	34%	0.339	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-61.1	165.9	176	0	0	0	0	0	111.4
739	S	44.6	Very low	58.6	Low	33 Å²	33	95.8 Å²	95.8	23%	0.231	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-65.5	135.2	168.5	-3.5	0	0	0	0	109	D741 D742	S739-D741 PolarHBondContact O-N 3.48Å; S739-D741 VanDerWaalsContact O-N 3.16Å; S739-D742 WeakPolarHBondContact CB-OD2 3.48Å; S739-D742 PolarHBondContact O-N 3.15Å; S739-D742 PolarHBondContact OG-OD2 3.38Å
740	D	52.3	Low	59.9	Low	132 Å²	132	90.7 Å²	90.7	71%	0.706	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.4	178.8	-54.3	-58	0	0	0	111.7	D742 E743 E744	D740-D742 PolarHBondContact O-N 3.41Å; D740-D742 VanDerWaalsContact O-N 3.1Å; D740-E743 PolarHBondContact O-N 2.99Å; D740-E744 PolarHBondContact O-N 3.38Å
741	D	55.8	Low	60.9	Low	120 Å²	120	93.1 Å²	93.1	64%	0.642	49%	0.493	S	S	*	.	H	α-helix	trans	-46.7	-37.5	171.8	-48.8	-31.1	0	0	0	113.6	S739	S739-D741 PolarHBondContact O-N 3.48Å; S739-D741 VanDerWaalsContact O-N 3.16Å
742	D	59.9	Low	62	Low	44 Å²	44	93.3 Å²	93.3	24%	0.235	51%	0.505	C	S	.	.	H	α-helix	trans	-86.8	-8.8	-176.4	-54.9	-63	0	0	0	112.5	K724 S739 D740 I746	K724-D742 WeakPolarHBondContact CE-OD1 3.43Å; K724-D742 IonicContact NZ-OD1 2.75Å; K724-D742 PolarHBondContact NZ-OD1 3.23Å; K724-D742 IonicContact NZ-OD2 2.68Å; S739-D742 WeakPolarHBondContact CB-OD2 3.48Å; S739-D742 PolarHBondContact O-N 3.15Å; S739-D742 PolarHBondContact OG-OD2 3.38Å; D740-D742 PolarHBondContact O-N 3.41Å; D740-D742 VanDerWaalsContact O-N 3.1Å; D742-I746 WeakPolarHBondContact O-CD1 3.28Å
743	E	63.8	Low	63.3	Low	63 Å²	63	89.3 Å²	89.3	29%	0.294	48%	0.484	S	S	.	.	H	α-helix	trans	-86.6	-40.2	170.9	-67.9	-116.5	172.9	0	0	111.7	D740 D745 I746 D747 K940 R944	D740-E743 PolarHBondContact O-N 2.99Å; E743-D745 VanDerWaalsContact C-N 3.34Å; E743-D745 PolarHBondContact O-N 3.38Å; E743-I746 PolarHBondContact O-N 3.3Å; E743-D747 PolarHBondContact O-N 3.01Å; E743-K940 IonicContact OE2-NZ 3.72Å; E743-K940 PolarHBondContact OE2-NZ 3.29Å; E743-R944 IonicContact OE1-CZ 3.21Å; E743-R944 IonicContact OE1-NH1 2.92Å; E743-R944 PolarHBondContact OE1-NH1 3.39Å; E743-R944 IonicContact OE1-NH2 2.65Å; E743-R944 PolarHBondContact OE1-NH2 2.95Å; E743-R944 IonicContact OE2-CZ 3.2Å; E743-R944 IonicContact OE2-NH1 2.69Å; E743-R944 IonicContact OE2-NH2 3.78Å; E743-R944 PolarHBondContact OE2-NH2 3.18Å
744	E	66.9	Low	64.2	Low	134 Å²	134	84.9 Å²	84.9	63%	0.626	46%	0.456	S	S	*	.	H	α-helix	trans	-61.2	-38.6	-176.4	-68	-168	177.7	0	0	113	D740 D747 Q748	D740-E744 PolarHBondContact O-N 3.38Å; E744-D747 PolarHBondContact O-N 2.66Å; E744-Q748 WeakPolarHBondContact O-CB 3.43Å; E744-Q748 VanDerWaalsContact O-CG 3.3Å; E744-Q748 WeakPolarHBondContact O-CG 3.29Å; E744-Q748 PolarHBondContact O-N 3.23Å; E744-Q748 PolarHBondContact O-NE2 2.04Å; E744-Q748 VanDerWaalsContact O-NE2 3.1Å
745	D	73.6	Confident	65.3	Low	113 Å²	113	82 Å²	82	60%	0.604	44%	0.441	S	S	*	.	H	α-helix	trans	-66.8	-40.6	176.7	-87.7	-10.8	0	0	0	112.3	E743 D747 Q749	E743-D745 VanDerWaalsContact C-N 3.34Å; E743-D745 PolarHBondContact O-N 3.38Å; D745-D747 VanDerWaalsContact C-N 3.34Å; D745-Q749 WeakPolarHBondContact O-CB 3.37Å; D745-Q749 PolarHBondContact O-N 2.87Å
746	I	73.4	Confident	67	Low	25 Å²	25	80.7 Å²	80.7	13%	0.128	42%	0.42	C	S	.	.	H	α-helix	trans	-68.1	-38.3	178.6	-64.3	179.4	0	0	0	109.9	D742 E743 Q749 I750 K940 L943 R944	D742-I746 WeakPolarHBondContact O-CD1 3.28Å; E743-I746 PolarHBondContact O-N 3.3Å; I746-Q749 PolarHBondContact O-N 2.95Å; I746-I750 HydrophobicContact CG2-CD1 3.83Å; I746-I750 HydrophobicContact CG2-CG1 4.4Å; I746-I750 WeakPolarHBondContact O-CB 3.18Å; I746-I750 VanDerWaalsContact O-CG1 3.26Å; I746-I750 WeakPolarHBondContact O-CG1 3.35Å; I746-I750 PolarHBondContact O-N 3.19Å; I746-K940 HydrophobicContact CG2-CG 4.37Å; I746-L943 HydrophobicContact CG2-CB 4.39Å; I746-L943 HydrophobicContact CG2-CD1 4.35Å; I746-R944 HydrophobicContact CD1-CG 3.56Å
747	D	77	Confident	68.5	Low	46 Å²	46	78.7 Å²	78.7	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-72	-38.6	179.8	-78.7	22.7	0	0	0	112	E743 E744 D745 I750 Q751 K940	E743-D747 PolarHBondContact O-N 3.01Å; E744-D747 PolarHBondContact O-N 2.66Å; D745-D747 VanDerWaalsContact C-N 3.34Å; D747-I750 PolarHBondContact O-N 3.12Å; D747-Q751 WeakPolarHBondContact O-CB 3.3Å; D747-Q751 VanDerWaalsContact O-CG 3.26Å; D747-Q751 WeakPolarHBondContact O-CG 3.49Å; D747-Q751 PolarHBondContact O-N 3Å; D747-K940 WeakPolarHBondContact OD1-CE 3.32Å; D747-K940 IonicContact OD1-NZ 2.73Å; D747-K940 PolarHBondContact OD1-NZ 2.8Å; D747-K940 WeakPolarHBondContact OD2-CE 3.28Å; D747-K940 IonicContact OD2-NZ 3.29Å; D747-K940 PolarHBondContact OD2-NZ 3.04Å
748	Q	79.7	Confident	70	Confident	115 Å²	115	76 Å²	76	54%	0.537	40%	0.395	S	S	.	.	H	α-helix	trans	-60.7	-43.9	168.9	-75.2	172.8	81.5	0	0	111.6	E744 Q751 S752	E744-Q748 WeakPolarHBondContact O-CB 3.43Å; E744-Q748 VanDerWaalsContact O-CG 3.3Å; E744-Q748 WeakPolarHBondContact O-CG 3.29Å; E744-Q748 PolarHBondContact O-N 3.23Å; E744-Q748 PolarHBondContact O-NE2 2.04Å; E744-Q748 VanDerWaalsContact O-NE2 3.1Å; Q748-Q751 PolarHBondContact O-N 2.59Å; Q748-S752 WeakPolarHBondContact O-CB 3.46Å; Q748-S752 PolarHBondContact O-N 3.3Å
749	Q	78.9	Confident	71.6	Confident	90 Å²	90	79.3 Å²	79.3	42%	0.421	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-48	176.2	-174	177.5	46.5	0	0	111.3	D745 I746 S752 L753	D745-Q749 WeakPolarHBondContact O-CB 3.37Å; D745-Q749 PolarHBondContact O-N 2.87Å; I746-Q749 PolarHBondContact O-N 2.95Å; Q749-S752 PolarHBondContact O-N 2.8Å; Q749-S752 PolarHBondContact O-OG 3.5Å; Q749-L753 HydrophobicContact CG-CD1 4.05Å; Q749-L753 WeakPolarHBondContact O-CG 3.19Å; Q749-L753 PolarHBondContact O-N 3.09Å
750	I	80.3	Confident	73	Confident	4 Å²	4	81.7 Å²	81.7	2%	0.021	41%	0.412	C	S	.	.	H	α-helix	trans	-61	-47.1	177.9	-72	171.7	0	0	0	110.9	I746 D747 S752 L753 M754 L939 K940 L943	I746-I750 HydrophobicContact CG2-CD1 3.83Å; I746-I750 HydrophobicContact CG2-CG1 4.4Å; I746-I750 WeakPolarHBondContact O-CB 3.18Å; I746-I750 VanDerWaalsContact O-CG1 3.26Å; I746-I750 WeakPolarHBondContact O-CG1 3.35Å; I746-I750 PolarHBondContact O-N 3.19Å; D747-I750 PolarHBondContact O-N 3.12Å; I750-S752 VanDerWaalsContact C-N 3.29Å; I750-S752 PolarHBondContact O-N 2.97Å; I750-L753 PolarHBondContact O-N 2.98Å; I750-M754 HydrophobicContact CG2-CG 3.93Å; I750-M754 HydrophobicContact CG2-SD 3.33Å; I750-M754 WeakPolarHBondContact CG2-SD 3.39Å; I750-M754 WeakPolarHBondContact O-CB 3.31Å; I750-M754 WeakPolarHBondContact O-CG 3.45Å; I750-M754 PolarHBondContact O-N 3.38Å; I750-L939 HydrophobicContact CD1-CB 4.21Å; I750-K940 HydrophobicContact CD1-CB 4.22Å; I750-K940 HydrophobicContact CD1-CG 3.55Å; I750-L943 HydrophobicContact CD1-CD1 3.96Å; I750-L943 HydrophobicContact CG1-CD1 3.58Å
751	Q	80.4	Confident	73.5	Confident	150 Å²	150	78.7 Å²	78.7	70%	0.701	40%	0.398	S	S	*	.	H	α-helix	trans	-62.5	-34	177.5	-72.6	179	41.8	0	0	112.7	D747 Q748 L753	D747-Q751 WeakPolarHBondContact O-CB 3.3Å; D747-Q751 VanDerWaalsContact O-CG 3.26Å; D747-Q751 WeakPolarHBondContact O-CG 3.49Å; D747-Q751 PolarHBondContact O-N 3Å; Q748-Q751 PolarHBondContact O-N 2.59Å; Q751-L753 VanDerWaalsContact C-N 3.33Å
752	S	79.1	Confident	73.1	Confident	86 Å²	86	79.8 Å²	79.8	60%	0.601	40%	0.4	S	S	*	.	H	α-helix	trans	-70.7	-26.8	177	79.1	0	0	0	0	113.8	Q748 Q749 I750	Q748-S752 WeakPolarHBondContact O-CB 3.46Å; Q748-S752 PolarHBondContact O-N 3.3Å; Q749-S752 PolarHBondContact O-N 2.8Å; Q749-S752 PolarHBondContact O-OG 3.5Å; I750-S752 VanDerWaalsContact C-N 3.29Å; I750-S752 PolarHBondContact O-N 2.97Å
753	L	79.7	Confident	72.4	Confident	37 Å²	37	79.5 Å²	79.5	19%	0.194	41%	0.407	C	S	.	.	H	α-helix	trans	-98.6	-32.3	-176.8	-65.5	175.5	0	0	0	113.1	Q749 I750 Q751 K755 D870 F871	Q749-L753 HydrophobicContact CG-CD1 4.05Å; Q749-L753 WeakPolarHBondContact O-CG 3.19Å; Q749-L753 PolarHBondContact O-N 3.09Å; I750-L753 PolarHBondContact O-N 2.98Å; Q751-L753 VanDerWaalsContact C-N 3.33Å; L753-K755 PolarHBondContact O-N 3.5Å; L753-D870 HydrophobicContact CD2-CB 4.14Å; L753-F871 HydrophobicContact CB-CD2 4.24Å; L753-F871 HydrophobicContact CB-CE1 4.22Å; L753-F871 HydrophobicContact CB-CE2 3.68Å; L753-F871 HydrophobicContact CB-CZ 3.66Å; L753-F871 HydrophobicContact CD1-CD1 4.07Å; L753-F871 HydrophobicContact CD1-CE1 4.02Å; L753-F871 HydrophobicContact CD1-CG 4.42Å; L753-F871 HydrophobicContact CD1-CZ 4.32Å
754	M	76.9	Confident	70.9	Confident	23 Å²	23	82 Å²	82	11%	0.113	43%	0.432	C	S	.	.			trans	-78.7	97.1	-179.3	-70.7	-173.7	73.4	0	0	112.4	I750 L866 F871 I935 V936 L939	I750-M754 HydrophobicContact CG2-CG 3.93Å; I750-M754 HydrophobicContact CG2-SD 3.33Å; I750-M754 WeakPolarHBondContact CG2-SD 3.39Å; I750-M754 WeakPolarHBondContact O-CB 3.31Å; I750-M754 WeakPolarHBondContact O-CG 3.45Å; I750-M754 PolarHBondContact O-N 3.38Å; M754-L866 HydrophobicContact CE-CD2 3.56Å; M754-F871 HydrophobicContact CG-CE2 3.98Å; M754-F871 HydrophobicContact CG-CZ 3.73Å; M754-I935 HydrophobicContact CE-CG2 4.42Å; M754-V936 HydrophobicContact CE-CG2 3.82Å; M754-V936 HydrophobicContact SD-CG2 3.66Å; M754-L939 HydrophobicContact CE-CD1 4.18Å; M754-L939 HydrophobicContact CG-CD1 4.26Å; M754-L939 HydrophobicContact SD-CD1 3.69Å
755	K	75.3	Confident	69.3	Low	92 Å²	92	78.8 Å²	78.8	40%	0.4	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.9	166.3	-59.1	141.6	-172.8	164.3	0	109.1	L753 E867 D870	L753-K755 PolarHBondContact O-N 3.5Å; K755-E867 HydrophobicContact CB-CB 4.22Å; K755-E867 WeakPolarHBondContact CD-OE2 3.41Å; K755-E867 IonicContact NZ-OE1 2.75Å; K755-E867 IonicContact NZ-OE2 3.99Å; K755-E867 PolarHBondContact O-N 3.02Å; K755-D870 IonicContact NZ-OD2 3.37Å; K755-D870 PolarHBondContact NZ-OD2 2.95Å
756	S	77.5	Confident	67.2	Low	45 Å²	45	81.4 Å²	81.4	32%	0.315	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.1	175.9	59.2	0	0	0	0	111.5	E864 E865 R932	S756-E864 WeakPolarHBondContact CB-OE1 3.45Å; S756-E865 CarbonylContact C-O 3.51Å; S756-E865 WeakPolarHBondContact CA-O 3.44Å; S756-R932 PolarHBondContact OG-NH1 3.21Å
757	T	77.8	Confident	65.1	Low	77 Å²	77	85.6 Å²	85.6	47%	0.472	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.4	169.9	-58.1	0	0	0	0	109.1	E865	T757-E865 PolarHBondContact N-O 2.79Å; T757-E865 PolarHBondContact O-N 2.92Å
758	R	75.6	Confident	62.9	Low	125 Å²	125	89.4 Å²	89.4	47%	0.472	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143.7	174.7	-72.8	177.3	171	-163.1	-14.4	111.3	E864 E925	R758-E864 HydrophobicContact CG-CB 4.37Å; R758-E864 HydrophobicContact CG-CG 3.84Å; R758-E864 WeakPolarHBondContact CG-OE2 3.37Å; R758-E864 IonicContact CZ-OE2 3.41Å; R758-E864 IonicContact NE-OE2 3.64Å; R758-E864 PolarHBondContact NE-OE2 3.45Å; R758-E864 IonicContact NH2-OE2 3.36Å; R758-E864 PolarHBondContact NH2-OE2 2.86Å; R758-E925 IonicContact CZ-OE1 2.74Å; R758-E925 IonicContact NH1-OE1 3.5Å; R758-E925 PolarHBondContact NH1-OE1 2.9Å; R758-E925 IonicContact NH2-OE1 3.8Å
759	R	75	Confident	60.6	Low	111 Å²	111	89 Å²	89	42%	0.419	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.9	169.9	-51.8	177.7	-169.7	-135.3	2.7	108.4	E863 E865	R759-E863 HydrophobicContact CB-CB 4.42Å; R759-E863 PolarHBondContact N-O 2.98Å; R759-E863 PolarHBondContact O-N 2.75Å; R759-E865 IonicContact CZ-OE2 3.87Å; R759-E865 IonicContact NE-OE2 2.76Å; R759-E865 PolarHBondContact NE-OE2 3.04Å; R759-E865 IonicContact NH2-OE1 2.66Å; R759-E865 PolarHBondContact NH2-OE1 2.86Å; R759-E865 IonicContact NH2-OE2 3.69Å; R759-E865 PolarHBondContact NH2-OE2 3.11Å
760	V	73.3	Confident	58.4	Low	84 Å²	84	90.6 Å²	90.6	51%	0.509	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.9	166.3	-174	0	0	0	0	106.6	Y862	V760-Y862 HydrophobicContact CG1-CD1 4.3Å; V760-Y862 HydrophobicContact CG1-CE1 4.09Å; V760-Y862 HydrophobicContact CG2-CD1 3.87Å; V760-Y862 HydrophobicContact CG2-CE1 3.97Å
761	T	63.5	Low	56.3	Low	68 Å²	68	96 Å²	96	42%	0.417	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	100.2	176.9	-53.2	0	0	0	0	108.1	G763 R861	T761-G763 PolarHBondContact O-N 3.28Å; T761-R861 PolarHBondContact N-O 3.12Å; T761-R861 PolarHBondContact O-N 2.99Å
762	E	48.2	Very low	54	Low	144 Å²	144	91.7 Å²	91.7	67%	0.673	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.4	101.7	174.1	-69.4	-173	170.4	0	0	109.5	S764 V858	E762-S764 PolarHBondContact O-N 3.36Å; E762-V858 HydrophobicContact CB-CG1 4.1Å
763	G	43.7	Very low	51.8	Low	37 Å²	37	93.5 Å²	93.5	38%	0.381	57%	0.571	S	S	.	*			trans	-76.8	79	-167.9	0	0	0	0	0	113.6	T761 F859	T761-G763 PolarHBondContact O-N 3.28Å; G763-F859 PolarHBondContact N-O 3.32Å
764	S	33.7	Very low	49.5	Very low	116 Å²	116	101 Å²	101	81%	0.811	61%	0.605	S	S	*	*			trans	-55.3	138.3	156	-173.9	0	0	0	0	109.6	E762 L766	E762-S764 PolarHBondContact O-N 3.36Å; S764-L766 PolarHBondContact O-N 2.83Å
765	G	33.3	Very low	47.4	Very low	66 Å²	66	103.4 Å²	103.4	68%	0.68	64%	0.635	S	S	*	*	S	Bend	trans	-65.4	117.2	-162.6	0	0	0	0	0	115
766	L	29	Very low	45.4	Very low	169 Å²	169	103.7 Å²	103.7	89%	0.885	65%	0.654	S	S	*	*			trans	54.3	84	150.7	-67.4	163.6	0	0	0	117.3	S764	S764-L766 PolarHBondContact O-N 2.83Å
767	S	29.6	Very low	43.3	Very low	112 Å²	112	107.3 Å²	107.3	78%	0.783	68%	0.675	S	S	*	*			trans	-131.1	73.7	158.9	65.1	0	0	0	0	112.2	S769	S767-S769 PolarHBondContact O-N 3.23Å
768	V	30.5	Very low	41.2	Very low	126 Å²	126	112.7 Å²	112.7	76%	0.764	69%	0.694	S	S	*	*			trans	-75.6	90.4	173.3	176.3	0	0	0	0	109.7	V770	V768-V770 HydrophobicContact CG1-CG2 3.85Å; V768-V770 PolarHBondContact O-N 3.49Å
769	S	31.9	Very low	39.3	Very low	106 Å²	106	110 Å²	110	74%	0.741	71%	0.706	S	S	*	*			trans	-86	76.5	175.5	60.2	0	0	0	0	111.7	S767 S771	S767-S769 PolarHBondContact O-N 3.23Å; S769-S771 PolarHBondContact O-N 3.04Å
770	V	31.7	Very low	37.8	Very low	124 Å²	124	111.2 Å²	111.2	75%	0.752	72%	0.721	S	S	*	*			trans	-77.2	104.1	167.4	173.2	0	0	0	0	108.9	V768	V768-V770 HydrophobicContact CG1-CG2 3.85Å; V768-V770 PolarHBondContact O-N 3.49Å
771	S	36.7	Very low	36.7	Very low	117 Å²	117	115.2 Å²	115.2	82%	0.818	73%	0.734	S	S	*	*			trans	-90.5	108.1	-179.9	-68.2	0	0	0	0	112.1	S769	S769-S771 PolarHBondContact O-N 3.04Å
772	G	32.1	Very low	36.2	Very low	60 Å²	60	119 Å²	119	62%	0.619	75%	0.747	S	S	*	*			trans	85.3	131.7	166.7	0	0	0	0	0	114.5
773	T	32.4	Very low	36.6	Very low	125 Å²	125	114.9 Å²	114.9	77%	0.767	74%	0.738	S	S	*	*			cis	-148.3	165.1	7.8	52.1	0	0	0	0	112.1
774	Q	32.7	Very low	37.1	Very low	195 Å²	195	118.4 Å²	118.4	91%	0.911	75%	0.747	S	S	*	*			trans	74.3	136.5	170.7	-46.4	-174.6	18.3	0	0	117.4
775	G	32.3	Very low	38.3	Very low	73 Å²	73	118.8 Å²	118.8	75%	0.753	74%	0.736	S	S	*	*				125.9	-11.2	113.3	0	0	0	0	0	121.7
776	A	32.2	Very low	39.9	Very low	97 Å²	97	122 Å²	122	80%	0.802	73%	0.731	S	S	*	*			trans	59.2	172	165.4	0	0	0	0	0	119.6
777	V	33.6	Very low	41.5	Very low	122 Å²	122	116.6 Å²	116.6	74%	0.739	71%	0.711	S	S	*	*			trans	59	83	169.1	-162.3	0	0	0	0	115.8
778	Q	34.9	Very low	43.4	Very low	189 Å²	189	117.9 Å²	117.9	88%	0.883	70%	0.702	S	S	*	*				66.3	120	86.7	-68.1	178.5	-20.2	0	0	116
779	G	35.1	Very low	45.4	Very low	70 Å²	70	118.1 Å²	118.1	72%	0.722	70%	0.695	S	S	*	*			trans	134	86.2	157.5	0	0	0	0	0	116.2
780	N	44.2	Very low	47.1	Very low	136 Å²	136	117.9 Å²	117.9	73%	0.727	69%	0.685	S	S	*	*			trans	-179.9	-12.6	144.8	-102.1	-28.5	0	0	0	115.8	Q782 A783	N780-Q782 VanDerWaalsContact C-N 3.27Å; N780-Q782 PolarHBondContact O-N 2.95Å; N780-Q782 VanDerWaalsContact O-N 3.16Å; N780-A783 WeakPolarHBondContact O-CB 3.5Å; N780-A783 PolarHBondContact O-N 3.28Å
781	Q	49	Very low	48.5	Very low	168 Å²	168	114.9 Å²	114.9	79%	0.785	67%	0.673	S	S	*	*	H	α-helix	trans	-55.7	-37.1	-175.4	-74.5	172.4	-25.9	0	0	113.9	A783 L784 E785	Q781-A783 PolarHBondContact O-N 2.88Å; Q781-L784 PolarHBondContact O-N 3.19Å; Q781-L784 VanDerWaalsContact O-N 3.14Å; Q781-E785 PolarHBondContact O-N 2.86Å; Q781-E785 VanDerWaalsContact O-N 3.16Å
782	Q	52.6	Low	49.7	Very low	147 Å²	147	118.3 Å²	118.3	69%	0.687	67%	0.668	S	S	*	*	H	α-helix	trans	-60.7	-25.2	176.1	-67.1	-175.7	-2.2	0	0	114.3	N780 K786	N780-Q782 VanDerWaalsContact C-N 3.27Å; N780-Q782 PolarHBondContact O-N 2.95Å; N780-Q782 VanDerWaalsContact O-N 3.16Å; Q782-K786 WeakPolarHBondContact O-CB 3.39Å; Q782-K786 VanDerWaalsContact O-CG 3.32Å; Q782-K786 WeakPolarHBondContact O-CG 3.37Å; Q782-K786 PolarHBondContact O-N 2.9Å; Q782-K786 VanDerWaalsContact O-N 3.11Å
783	A	56.4	Low	51.2	Low	58 Å²	58	120.2 Å²	120.2	48%	0.479	66%	0.661	S	S	.	*	H	α-helix	trans	-73	-40.3	176.7	0	0	0	0	0	111.3	N780 Q781 K786 A787	N780-A783 WeakPolarHBondContact O-CB 3.5Å; N780-A783 PolarHBondContact O-N 3.28Å; Q781-A783 PolarHBondContact O-N 2.88Å; A783-K786 PolarHBondContact O-N 3.46Å; A783-A787 WeakPolarHBondContact O-CB 3.41Å; A783-A787 PolarHBondContact O-N 3.21Å
784	L	54.2	Low	52.5	Low	111 Å²	111	118.9 Å²	118.9	58%	0.581	65%	0.648	S	S	*	*	H	α-helix	trans	-70.1	-36.3	178.5	-168.7	68.3	0	0	0	111.9	Q781 A787 K788	Q781-L784 PolarHBondContact O-N 3.19Å; Q781-L784 VanDerWaalsContact O-N 3.14Å; L784-A787 PolarHBondContact O-N 3.43Å; L784-K788 WeakPolarHBondContact O-CG 3.44Å; L784-K788 PolarHBondContact O-N 3.15Å
785	E	60.6	Low	53.3	Low	124 Å²	124	115.6 Å²	115.6	58%	0.579	64%	0.637	S	S	*	*	H	α-helix	trans	-69.1	-42.8	174.1	-69.1	-174.5	121.1	0	0	112.2	Q781 A787 K788 Q789	Q781-E785 PolarHBondContact O-N 2.86Å; Q781-E785 VanDerWaalsContact O-N 3.16Å; E785-A787 VanDerWaalsContact C-N 3.31Å; E785-A787 PolarHBondContact O-N 3.22Å; E785-K788 PolarHBondContact O-N 3.37Å; E785-Q789 WeakPolarHBondContact O-CG 3.31Å; E785-Q789 PolarHBondContact O-N 2.89Å
786	K	66	Low	54.3	Low	133 Å²	133	118.8 Å²	118.8	58%	0.578	63%	0.634	S	S	*	*	H	α-helix	trans	-61.5	-38.2	172.4	-77.2	178.1	178	179.2	0	112.3	Q782 A783 Q789 L790	Q782-K786 WeakPolarHBondContact O-CB 3.39Å; Q782-K786 VanDerWaalsContact O-CG 3.32Å; Q782-K786 WeakPolarHBondContact O-CG 3.37Å; Q782-K786 PolarHBondContact O-N 2.9Å; Q782-K786 VanDerWaalsContact O-N 3.11Å; A783-K786 PolarHBondContact O-N 3.46Å; K786-Q789 PolarHBondContact O-N 3.46Å; K786-L790 WeakPolarHBondContact O-CB 3.32Å; K786-L790 PolarHBondContact O-N 3.03Å
787	A	63.7	Low	55.4	Low	55 Å²	55	120.3 Å²	120.3	46%	0.455	62%	0.624	S	S	.	*	H	α-helix	trans	-63.3	-42.2	173.3	0	0	0	0	0	112.2	A783 L784 E785 L790 A791	A783-A787 WeakPolarHBondContact O-CB 3.41Å; A783-A787 PolarHBondContact O-N 3.21Å; L784-A787 PolarHBondContact O-N 3.43Å; E785-A787 VanDerWaalsContact C-N 3.31Å; E785-A787 PolarHBondContact O-N 3.22Å; A787-L790 PolarHBondContact O-N 3.03Å; A787-A791 WeakPolarHBondContact O-CB 3.36Å; A787-A791 PolarHBondContact O-N 3Å
788	K	69.2	Low	56	Low	139 Å²	139	124.7 Å²	124.7	60%	0.604	63%	0.627	S	S	*	*	H	α-helix	trans	-68.2	-33.7	174.7	-74.8	-178.7	177.4	-177.4	0	113.1	L784 E785 R792	L784-K788 WeakPolarHBondContact O-CG 3.44Å; L784-K788 PolarHBondContact O-N 3.15Å; E785-K788 PolarHBondContact O-N 3.37Å; K788-R792 WeakPolarHBondContact O-CG 2.93Å; K788-R792 PolarHBondContact O-N 2.74Å
789	Q	71.1	Confident	56.1	Low	132 Å²	132	122.2 Å²	122.2	62%	0.617	62%	0.62	S	S	*	*	H	α-helix	trans	-67.7	-47.9	173	-75.8	177.6	-15.8	0	0	111.2	E785 K786 A791 R792 Q793	E785-Q789 WeakPolarHBondContact O-CG 3.31Å; E785-Q789 PolarHBondContact O-N 2.89Å; K786-Q789 PolarHBondContact O-N 3.46Å; Q789-A791 PolarHBondContact O-N 2.92Å; Q789-R792 PolarHBondContact O-N 3.37Å; Q789-Q793 WeakPolarHBondContact O-CB 3.33Å; Q789-Q793 PolarHBondContact O-N 2.76Å
790	L	68.1	Low	56.3	Low	101 Å²	101	126.5 Å²	126.5	53%	0.529	63%	0.625	S	S	.	*	H	α-helix	trans	-58.9	-43.2	173.6	-88.7	162.8	0	0	0	112.2	K786 A787 R792 Q793 I794	K786-L790 WeakPolarHBondContact O-CB 3.32Å; K786-L790 PolarHBondContact O-N 3.03Å; A787-L790 PolarHBondContact O-N 3.03Å; L790-R792 VanDerWaalsContact C-N 3.34Å; L790-R792 PolarHBondContact O-N 3.02Å; L790-Q793 PolarHBondContact O-N 3.32Å; L790-I794 WeakPolarHBondContact O-CB 3.49Å; L790-I794 WeakPolarHBondContact O-CD1 3.34Å; L790-I794 VanDerWaalsContact O-CG1 3.26Å; L790-I794 WeakPolarHBondContact O-CG1 3.27Å; L790-I794 PolarHBondContact O-N 2.93Å
791	A	62.2	Low	55.7	Low	60 Å²	60	123.4 Å²	123.4	50%	0.496	63%	0.625	S	S	.	*	H	α-helix	trans	-62.2	-39.1	176.4	0	0	0	0	0	112.6	A787 Q789 N795	A787-A791 WeakPolarHBondContact O-CB 3.36Å; A787-A791 PolarHBondContact O-N 3Å; Q789-A791 PolarHBondContact O-N 2.92Å; A791-N795 WeakPolarHBondContact O-CB 3.29Å; A791-N795 PolarHBondContact O-N 3.09Å
792	R	62.1	Low	54.9	Low	190 Å²	190	122.5 Å²	122.5	72%	0.717	63%	0.631	S	S	*	*	H	α-helix	trans	-68.8	-40.2	172.9	-78.2	-179.7	170.2	-178.2	-4.1	112.2	K788 Q789 L790 N795 M796	K788-R792 WeakPolarHBondContact O-CG 2.93Å; K788-R792 PolarHBondContact O-N 2.74Å; Q789-R792 PolarHBondContact O-N 3.37Å; L790-R792 VanDerWaalsContact C-N 3.34Å; L790-R792 PolarHBondContact O-N 3.02Å; R792-N795 PolarHBondContact O-N 3.42Å; R792-M796 WeakPolarHBondContact O-CG 3.42Å; R792-M796 PolarHBondContact O-N 2.8Å
793	Q	63.5	Low	54	Low	99 Å²	99	119.4 Å²	119.4	46%	0.463	64%	0.638	S	S	.	*	H	α-helix	trans	-64	-46.7	178.7	-175.5	167.5	-4.5	0	0	111.4	Q789 L790 N795 M796 E797	Q789-Q793 WeakPolarHBondContact O-CB 3.33Å; Q789-Q793 PolarHBondContact O-N 2.76Å; L790-Q793 PolarHBondContact O-N 3.32Å; Q793-N795 PolarHBondContact O-N 3.28Å; Q793-M796 PolarHBondContact O-N 3.18Å; Q793-M796 VanDerWaalsContact O-N 3.07Å; Q793-E797 HydrophobicContact CG-CG 4.19Å; Q793-E797 VanDerWaalsContact CG-OE1 3.22Å; Q793-E797 WeakPolarHBondContact CG-OE1 3.21Å; Q793-E797 PolarHBondContact NE2-OE1 3.02Å; Q793-E797 WeakPolarHBondContact O-CB 3.5Å; Q793-E797 WeakPolarHBondContact O-CG 3.48Å; Q793-E797 PolarHBondContact O-N 3.25Å
794	I	59.2	Low	53.1	Low	98 Å²	98	120.9 Å²	120.9	50%	0.503	65%	0.65	S	S	.	*	H	α-helix	trans	-58.4	-33.7	173.8	-69	163.7	0	0	0	111.9	L790	L790-I794 WeakPolarHBondContact O-CB 3.49Å; L790-I794 WeakPolarHBondContact O-CD1 3.34Å; L790-I794 VanDerWaalsContact O-CG1 3.26Å; L790-I794 WeakPolarHBondContact O-CG1 3.27Å; L790-I794 PolarHBondContact O-N 2.93Å
795	N	48.5	Very low	52.5	Low	125 Å²	125	125.1 Å²	125.1	67%	0.668	66%	0.664	S	S	*	*	H	α-helix	trans	-82	-20.6	179	-145.3	41.2	0	0	0	113.4	A791 R792 Q793	A791-N795 WeakPolarHBondContact O-CB 3.29Å; A791-N795 PolarHBondContact O-N 3.09Å; R792-N795 PolarHBondContact O-N 3.42Å; Q793-N795 PolarHBondContact O-N 3.28Å
796	M	53.5	Low	51.5	Low	141 Å²	141	123.3 Å²	123.3	70%	0.695	66%	0.658	S	S	*	*	H	α-helix	trans	-85.9	-40.3	171.7	-72.8	177.2	170.7	0	0	112	R792 Q793 R798 N799	R792-M796 WeakPolarHBondContact O-CG 3.42Å; R792-M796 PolarHBondContact O-N 2.8Å; Q793-M796 PolarHBondContact O-N 3.18Å; Q793-M796 VanDerWaalsContact O-N 3.07Å; M796-R798 PolarHBondContact O-N 3.13Å; M796-N799 PolarHBondContact O-N 3.24Å
797	E	54.7	Low	50.4	Low	129 Å²	129	122 Å²	122	60%	0.603	66%	0.661	S	S	*	*	H	α-helix	trans	-67.5	-15.1	179	-73.4	174.8	176.7	0	0	113.3	Q793 N799	Q793-E797 HydrophobicContact CG-CG 4.19Å; Q793-E797 VanDerWaalsContact CG-OE1 3.22Å; Q793-E797 WeakPolarHBondContact CG-OE1 3.21Å; Q793-E797 PolarHBondContact NE2-OE1 3.02Å; Q793-E797 WeakPolarHBondContact O-CB 3.5Å; Q793-E797 WeakPolarHBondContact O-CG 3.48Å; Q793-E797 PolarHBondContact O-N 3.25Å; E797-N799 VanDerWaalsContact C-N 3.29Å
798	R	47.1	Very low	49.8	Very low	213 Å²	213	124.6 Å²	124.6	80%	0.804	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-4.6	170	-84.2	-173.9	168.7	-173.8	-2.8	114.9	M796	M796-R798 PolarHBondContact O-N 3.13Å
799	N	37.4	Very low	49.2	Very low	138 Å²	138	124.5 Å²	124.5	74%	0.738	67%	0.673	S	S	*	*	S	Bend	trans	-138.1	45.7	-170.2	-151	16.5	0	0	0	114.3	M796 E797	M796-N799 PolarHBondContact O-N 3.24Å; E797-N799 VanDerWaalsContact C-N 3.29Å
800	I	38.1	Very low	48.1	Very low	160 Å²	160	124.5 Å²	124.5	82%	0.821	67%	0.673	S	S	*	*	S	Bend	trans	-157.2	126.4	160.8	-99.8	143.4	0	0	0	110.3
801	G	32	Very low	47.1	Very low	70 Å²	70	123.9 Å²	123.9	72%	0.722	67%	0.674	S	S	*	*			trans	75.9	153	170	0	0	0	0	0	116.3
802	V	33.2	Very low	46.6	Very low	150 Å²	150	123.7 Å²	123.7	91%	0.909	67%	0.672	S	S	*	*			cis	-140.8	140.6	-9.8	179.7	0	0	0	0	107.4
803	G	33.6	Very low	46.2	Very low	81 Å²	81	119.8 Å²	119.8	84%	0.835	66%	0.662	S	S	*	*			trans	-85.7	139	-164.9	0	0	0	0	0	117.3
804	A	37.7	Very low	45.7	Very low	89 Å²	89	118 Å²	118	74%	0.736	66%	0.664	S	S	*	*			trans	-151.1	114.2	154.9	0	0	0	0	0	107.5
805	K	40.6	Very low	45.6	Very low	200 Å²	200	119.1 Å²	119.1	87%	0.87	68%	0.675	S	S	*	*				53.6	108.9	91.7	-72.7	-167	174.2	-174.9	0	115.1
806	D	40.5	Very low	46	Very low	86 Å²	86	120.5 Å²	120.5	46%	0.46	68%	0.681	S	S	.	*			trans	51.1	71.8	157.8	-83.7	-69.8	0	0	0	119.9	T808 Q809	D806-T808 PolarHBondContact O-N 2.77Å; D806-T808 WeakPolarHBondContact OD1-CB 3.33Å; D806-T808 PolarHBondContact OD1-OG1 3.31Å; D806-Q809 HydrophobicContact CB-CB 4.42Å; D806-Q809 HydrophobicContact CB-CG 4.22Å; D806-Q809 PolarHBondContact O-N 2.85Å
807	V	42.9	Very low	46.4	Very low	106 Å²	106	120.5 Å²	120.5	64%	0.642	68%	0.677	S	S	*	*	H	α-helix	trans	-59.2	-28.5	153.9	-179.2	0	0	0	0	111	Q809 Q810 T811	V807-Q809 PolarHBondContact O-N 3.14Å; V807-Q809 VanDerWaalsContact O-N 3.14Å; V807-Q810 PolarHBondContact O-N 3.06Å; V807-T811 PolarHBondContact O-N 3.3Å
808	T	51.3	Low	45.7	Very low	109 Å²	109	117.5 Å²	117.5	67%	0.669	68%	0.681	S	S	*	*	H	α-helix	trans	-59.1	-18.3	176.8	4.2	0	0	0	0	115.1	D806	D806-T808 PolarHBondContact O-N 2.77Å; D806-T808 WeakPolarHBondContact OD1-CB 3.33Å; D806-T808 PolarHBondContact OD1-OG1 3.31Å
809	Q	56.4	Low	45.4	Very low	137 Å²	137	111.4 Å²	111.4	64%	0.64	68%	0.676	S	S	*	*	H	α-helix	trans	-96.8	-29.2	172.1	-69.9	-171.3	-21.5	0	0	113	D806 V807 A812 E813	D806-Q809 HydrophobicContact CB-CB 4.42Å; D806-Q809 HydrophobicContact CB-CG 4.22Å; D806-Q809 PolarHBondContact O-N 2.85Å; V807-Q809 PolarHBondContact O-N 3.14Å; V807-Q809 VanDerWaalsContact O-N 3.14Å; Q809-A812 WeakPolarHBondContact O-CB 3.44Å; Q809-A812 PolarHBondContact O-N 3.35Å; Q809-E813 PolarHBondContact O-N 2.9Å
810	Q	47.1	Very low	45.5	Very low	133 Å²	133	111.7 Å²	111.7	62%	0.621	68%	0.683	S	S	*	*	H	α-helix	trans	-70.6	-35.7	-176.3	-65.5	-173.4	-0.3	0	0	112.8	V807 A812 E813 A814	V807-Q810 PolarHBondContact O-N 3.06Å; Q810-A812 VanDerWaalsContact C-N 3.32Å; Q810-A812 PolarHBondContact O-N 3.44Å; Q810-E813 PolarHBondContact O-N 3.24Å; Q810-A814 WeakPolarHBondContact O-CB 3.26Å; Q810-A814 PolarHBondContact O-N 2.97Å
811	T	46.6	Very low	45.6	Very low	88 Å²	88	110.4 Å²	110.4	54%	0.54	68%	0.683	S	S	.	*	H	α-helix	trans	-68.1	-30.7	172.7	45.8	0	0	0	0	112.5	V807 V815	V807-T811 PolarHBondContact O-N 3.3Å; T811-V815 WeakPolarHBondContact O-CG2 3.31Å; T811-V815 PolarHBondContact O-N 3.23Å
812	A	52.6	Low	46.1	Very low	55 Å²	55	109.9 Å²	109.9	46%	0.455	68%	0.678	S	S	.	*	H	α-helix	trans	-69.4	-41.5	173.1	0	0	0	0	0	112.1	Q809 Q810 L816	Q809-A812 WeakPolarHBondContact O-CB 3.44Å; Q809-A812 PolarHBondContact O-N 3.35Å; Q810-A812 VanDerWaalsContact C-N 3.32Å; Q810-A812 PolarHBondContact O-N 3.44Å; A812-L816 PolarHBondContact O-N 3.15Å
813	E	53.1	Low	46.3	Very low	109 Å²	109	108.8 Å²	108.8	51%	0.509	67%	0.674	S	S	.	*	H	α-helix	trans	-65.4	-36.8	172.8	-91.7	-147.7	102.4	0	0	113.2	Q809 Q810 L816 K817	Q809-E813 PolarHBondContact O-N 2.9Å; Q810-E813 PolarHBondContact O-N 3.24Å; E813-L816 PolarHBondContact O-N 3.42Å; E813-K817 VanDerWaalsContact CD-NZ 3.32Å; E813-K817 WeakPolarHBondContact O-CG 3.18Å; E813-K817 PolarHBondContact O-N 3.24Å; E813-K817 VanDerWaalsContact O-N 3.13Å; E813-K817 WeakPolarHBondContact OE1-CE 3.47Å; E813-K817 IonicContact OE1-NZ 2.63Å; E813-K817 PolarHBondContact OE1-NZ 3.3Å; E813-K817 IonicContact OE2-NZ 3.6Å
814	A	53.3	Low	46.6	Very low	60 Å²	60	111 Å²	111	50%	0.496	67%	0.67	S	S	.	*	H	α-helix	trans	-62.8	-43.3	177.8	0	0	0	0	0	111.6	Q810 L816 K817	Q810-A814 WeakPolarHBondContact O-CB 3.26Å; Q810-A814 PolarHBondContact O-N 2.97Å; A814-L816 VanDerWaalsContact C-N 3.32Å; A814-L816 PolarHBondContact O-N 3.31Å; A814-K817 PolarHBondContact O-N 3.38Å; A814-K817 VanDerWaalsContact O-N 3.11Å
815	V	57.4	Low	46.7	Very low	122 Å²	122	114.1 Å²	114.1	74%	0.739	68%	0.675	S	S	*	*	H	α-helix	trans	-63.5	-36.2	174.6	172.7	0	0	0	0	111.7	T811 K817	T811-V815 WeakPolarHBondContact O-CG2 3.31Å; T811-V815 PolarHBondContact O-N 3.23Å; V815-K817 VanDerWaalsContact C-N 3.28Å; V815-K817 PolarHBondContact O-N 3.13Å
816	L	56.7	Low	47.2	Very low	154 Å²	154	109.1 Å²	109.1	81%	0.806	66%	0.661	S	S	*	*	H	α-helix	trans	-69.5	-19.1	173.8	-104.4	78.4	0	0	0	114.4	A812 E813 A814	A812-L816 PolarHBondContact O-N 3.15Å; E813-L816 PolarHBondContact O-N 3.42Å; A814-L816 VanDerWaalsContact C-N 3.32Å; A814-L816 PolarHBondContact O-N 3.31Å
817	K	62.1	Low	48	Very low	141 Å²	141	107.8 Å²	107.8	61%	0.613	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	1.7	-174.9	-76.8	170.1	-176	160.4	0	114.8	E813 A814 V815 A819	E813-K817 VanDerWaalsContact CD-NZ 3.32Å; E813-K817 WeakPolarHBondContact O-CG 3.18Å; E813-K817 PolarHBondContact O-N 3.24Å; E813-K817 VanDerWaalsContact O-N 3.13Å; E813-K817 WeakPolarHBondContact OE1-CE 3.47Å; E813-K817 IonicContact OE1-NZ 2.63Å; E813-K817 PolarHBondContact OE1-NZ 3.3Å; E813-K817 IonicContact OE2-NZ 3.6Å; A814-K817 PolarHBondContact O-N 3.38Å; A814-K817 VanDerWaalsContact O-N 3.11Å; V815-K817 VanDerWaalsContact C-N 3.28Å; V815-K817 PolarHBondContact O-N 3.13Å; K817-A819 VanDerWaalsContact C-N 3.32Å; K817-A819 PolarHBondContact O-N 3.11Å
818	G	40.4	Very low	48.5	Very low	66 Å²	66	106.6 Å²	106.6	68%	0.68	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	19.5	160.2	0	0	0	0	0	117.1
819	A	41	Very low	48.9	Very low	85 Å²	85	108.9 Å²	108.9	70%	0.702	66%	0.66	S	S	*	*			trans	-86.3	137.2	176	0	0	0	0	0	111.6	K817	K817-A819 VanDerWaalsContact C-N 3.32Å; K817-A819 PolarHBondContact O-N 3.11Å
820	V	38.3	Very low	49.6	Very low	145 Å²	145	105.4 Å²	105.4	88%	0.879	65%	0.648	S	S	*	*			trans	-99.8	117.2	-177.8	-178.2	0	0	0	0	110.6
821	T	39.9	Very low	50.5	Low	132 Å²	132	103.1 Å²	103.1	81%	0.81	64%	0.64	S	S	*	*			trans	-138.1	147.9	170.2	50.7	0	0	0	0	110.4
822	G	43.4	Very low	51.2	Low	60 Å²	60	101.7 Å²	101.7	62%	0.619	64%	0.636	S	S	*	*			trans	-69.2	174.4	-169.6	0	0	0	0	0	116.5
823	P	38	Very low	52.1	Low	127 Å²	127	104.2 Å²	104.2	83%	0.825	64%	0.639	S	S	*	*			trans	-68	137.7	-172.4	28.1	-35.3	0	0	0	112.9
824	V	38.3	Very low	53	Low	126 Å²	126	104.3 Å²	104.3	76%	0.764	64%	0.639	S	S	*	*			trans	-99.1	115.3	172.2	178	0	0	0	0	108.8	V826	V824-V826 PolarHBondContact O-N 3.44Å
825	N	41.7	Very low	54	Low	156 Å²	156	106.7 Å²	106.7	83%	0.834	64%	0.643	S	S	*	*			trans	-69.3	100	176.8	-74.4	-4.7	0	0	0	110.8	S827	N825-S827 PolarHBondContact O-N 3.29Å
826	V	50.3	Low	54.5	Low	94 Å²	94	103.1 Å²	103.1	57%	0.57	63%	0.626	S	S	*	*			trans	-78.8	115.7	170.7	-175.1	0	0	0	0	108.6	V824 I831	V824-V826 PolarHBondContact O-N 3.44Å; V826-I831 HydrophobicContact CG1-CD1 4.05Å; V826-I831 HydrophobicContact CG1-CG1 3.81Å
827	S	56.6	Low	55.3	Low	59 Å²	59	101.3 Å²	101.3	41%	0.413	61%	0.614	S	S	.	*			trans	-67.3	143.5	179.2	81.4	0	0	0	0	111.7	N825 K829 T830 I831	N825-S827 PolarHBondContact O-N 3.29Å; S827-K829 PolarHBondContact O-N 2.95Å; S827-K829 VanDerWaalsContact O-N 3.12Å; S827-T830 WeakPolarHBondContact O-CB 3.36Å; S827-T830 PolarHBondContact O-N 3.05Å; S827-T830 PolarHBondContact OG-N 3.08Å; S827-T830 PolarHBondContact OG-OG1 2.96Å; S827-I831 PolarHBondContact O-N 3.06Å
828	A	53	Low	55.9	Low	81 Å²	81	100.6 Å²	100.6	67%	0.669	61%	0.611	S	S	*	*	H	α-helix	trans	-53.9	-33.5	175.4	0	0	0	0	0	112.4	T830 I831 A832	A828-T830 VanDerWaalsContact C-N 3.31Å; A828-T830 PolarHBondContact O-N 2.96Å; A828-I831 PolarHBondContact O-N 3.02Å; A828-A832 WeakPolarHBondContact O-CB 3.42Å; A828-A832 PolarHBondContact O-N 2.89Å
829	K	60.9	Low	57.2	Low	157 Å²	157	102.1 Å²	102.1	68%	0.683	60%	0.603	S	S	*	*	H	α-helix	trans	-57	-40	174.7	-173	173	-177.2	172.6	0	112.9	S827 Q833	S827-K829 PolarHBondContact O-N 2.95Å; S827-K829 VanDerWaalsContact O-N 3.12Å; K829-Q833 WeakPolarHBondContact O-CG 3.3Å; K829-Q833 PolarHBondContact O-N 2.87Å
830	T	70.3	Confident	58.5	Low	63 Å²	63	102.2 Å²	102.2	39%	0.387	59%	0.591	S	S	.	*	H	α-helix	trans	-69.9	-39.3	179.4	-43.9	0	0	0	0	111.6	S827 A828 Q834	S827-T830 WeakPolarHBondContact O-CB 3.36Å; S827-T830 PolarHBondContact O-N 3.05Å; S827-T830 PolarHBondContact OG-N 3.08Å; S827-T830 PolarHBondContact OG-OG1 2.96Å; A828-T830 VanDerWaalsContact C-N 3.31Å; A828-T830 PolarHBondContact O-N 2.96Å; T830-Q834 PolarHBondContact O-N 2.88Å
831	I	65.9	Low	60.1	Low	86 Å²	86	102.7 Å²	102.7	44%	0.441	58%	0.584	S	S	.	*	H	α-helix	trans	-69.1	-41.5	176.6	-59.5	173.2	0	0	0	110.2	V826 S827 A828 Q834 L835	V826-I831 HydrophobicContact CG1-CD1 4.05Å; V826-I831 HydrophobicContact CG1-CG1 3.81Å; S827-I831 PolarHBondContact O-N 3.06Å; A828-I831 PolarHBondContact O-N 3.02Å; I831-Q834 PolarHBondContact O-N 2.91Å; I831-L835 HydrophobicContact CG2-CD1 4.13Å; I831-L835 PolarHBondContact O-N 3.02Å
832	A	61.9	Low	61.7	Low	57 Å²	57	105.1 Å²	105.1	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-61.7	-42.3	176.5	0	0	0	0	0	112.5	A828 L835 A836	A828-A832 WeakPolarHBondContact O-CB 3.42Å; A828-A832 PolarHBondContact O-N 2.89Å; A832-L835 PolarHBondContact O-N 3.44Å; A832-A836 WeakPolarHBondContact O-CB 3.28Å; A832-A836 PolarHBondContact O-N 3.16Å
833	Q	71.4	Confident	62.3	Low	109 Å²	109	107.9 Å²	107.9	51%	0.509	58%	0.583	S	S	.	*	H	α-helix	trans	-62.2	-47.1	175.2	-74	-176.5	-93.2	0	0	112	K829 L835 A836 E837	K829-Q833 WeakPolarHBondContact O-CG 3.3Å; K829-Q833 PolarHBondContact O-N 2.87Å; Q833-L835 VanDerWaalsContact C-N 3.28Å; Q833-L835 PolarHBondContact O-N 3.37Å; Q833-A836 PolarHBondContact O-N 2.86Å; Q833-A836 VanDerWaalsContact O-N 3.15Å; Q833-E837 WeakPolarHBondContact O-CG 3.04Å; Q833-E837 PolarHBondContact O-N 3.1Å
834	Q	73.3	Confident	62.7	Low	111 Å²	111	108.6 Å²	108.6	52%	0.519	58%	0.58	S	S	.	*	H	α-helix	trans	-66.3	-27.1	177.9	-69.8	-173.8	-3.2	0	0	113.7	T830 I831 K838	T830-Q834 PolarHBondContact O-N 2.88Å; I831-Q834 PolarHBondContact O-N 2.91Å; Q834-K838 WeakPolarHBondContact O-CG 3.01Å; Q834-K838 PolarHBondContact O-N 2.97Å
835	L	72.3	Confident	63	Low	109 Å²	109	110.2 Å²	110.2	57%	0.571	57%	0.574	S	S	*	*	H	α-helix	trans	-74.7	-40.1	171	-83.4	168.1	0	0	0	112	I831 A832 Q833 K838 L839	I831-L835 HydrophobicContact CG2-CD1 4.13Å; I831-L835 PolarHBondContact O-N 3.02Å; A832-L835 PolarHBondContact O-N 3.44Å; Q833-L835 VanDerWaalsContact C-N 3.28Å; Q833-L835 PolarHBondContact O-N 3.37Å; L835-K838 PolarHBondContact O-N 3.28Å; L835-L839 WeakPolarHBondContact O-CB 3.49Å; L835-L839 PolarHBondContact O-N 3.44Å
836	A	68.4	Low	63.2	Low	47 Å²	47	108.2 Å²	108.2	39%	0.388	57%	0.567	S	S	.	*	H	α-helix	trans	-65	-43	177	0	0	0	0	0	112.2	A832 Q833 L839 N840	A832-A836 WeakPolarHBondContact O-CB 3.28Å; A832-A836 PolarHBondContact O-N 3.16Å; Q833-A836 PolarHBondContact O-N 2.86Å; Q833-A836 VanDerWaalsContact O-N 3.15Å; A836-L839 WeakPolarHBondContact O-CB 3.47Å; A836-L839 PolarHBondContact O-N 2.87Å; A836-L839 VanDerWaalsContact O-N 3.12Å; A836-N840 PolarHBondContact O-N 2.82Å
837	E	73.3	Confident	62.8	Low	116 Å²	116	108.1 Å²	108.1	54%	0.542	57%	0.568	S	S	.	*	H	α-helix	trans	-58.7	-48.6	174.6	-72.3	168.5	166.5	0	0	111.1	Q833 L839 N840 E841	Q833-E837 WeakPolarHBondContact O-CG 3.04Å; Q833-E837 PolarHBondContact O-N 3.1Å; E837-L839 PolarHBondContact O-N 3.31Å; E837-N840 PolarHBondContact O-N 2.84Å; E837-E841 PolarHBondContact O-N 2.92Å
838	K	76.2	Confident	61.7	Low	126 Å²	126	110.5 Å²	110.5	55%	0.548	59%	0.585	S	S	.	*	H	α-helix	trans	-66.4	-21.6	175.4	-74.5	173.7	179.8	166.8	0	114.2	Q834 L835 K842	Q834-K838 WeakPolarHBondContact O-CG 3.01Å; Q834-K838 PolarHBondContact O-N 2.97Å; L835-K838 PolarHBondContact O-N 3.28Å; K838-K842 PolarHBondContact O-N 2.93Å
839	L	67.4	Low	60.9	Low	99 Å²	99	115.5 Å²	115.5	52%	0.518	60%	0.595	S	S	.	*	H	α-helix	trans	-76.8	-42.9	172.1	-116.1	165	0	0	0	110.8	L835 A836 E837 K842 L843	L835-L839 WeakPolarHBondContact O-CB 3.49Å; L835-L839 PolarHBondContact O-N 3.44Å; A836-L839 WeakPolarHBondContact O-CB 3.47Å; A836-L839 PolarHBondContact O-N 2.87Å; A836-L839 VanDerWaalsContact O-N 3.12Å; E837-L839 PolarHBondContact O-N 3.31Å; L839-K842 PolarHBondContact O-N 3.03Å; L839-L843 HydrophobicContact CD2-CD1 3.79Å; L839-L843 HydrophobicContact CD2-CG 4.2Å; L839-L843 WeakPolarHBondContact O-CB 3.44Å; L839-L843 WeakPolarHBondContact O-CG 3.29Å; L839-L843 PolarHBondContact O-N 3.44Å
840	N	67.5	Low	59.6	Low	86 Å²	86	114.1 Å²	114.1	46%	0.46	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-42.7	176.2	-70.7	-12.1	0	0	0	111.8	A836 E837 K842 L843 N844	A836-N840 PolarHBondContact O-N 2.82Å; E837-N840 PolarHBondContact O-N 2.84Å; N840-K842 VanDerWaalsContact C-N 3.27Å; N840-K842 PolarHBondContact O-N 3.29Å; N840-L843 PolarHBondContact O-N 2.81Å; N840-N844 PolarHBondContact O-N 2.95Å
841	E	72.1	Confident	57.9	Low	156 Å²	156	116.9 Å²	116.9	73%	0.729	62%	0.618	S	S	*	*	H	α-helix	trans	-56	-40.6	171.4	-73.7	-172.7	136.3	0	0	112.2	E837	E837-E841 PolarHBondContact O-N 2.92Å
842	K	72.6	Confident	56.2	Low	183 Å²	183	121.4 Å²	121.4	80%	0.796	64%	0.637	S	S	*	*	H	α-helix	trans	-77.5	-24.8	178.6	-84.6	-176.1	172.8	179	0	114.7	K838 L839 N840	K838-K842 PolarHBondContact O-N 2.93Å; L839-K842 PolarHBondContact O-N 3.03Å; N840-K842 VanDerWaalsContact C-N 3.27Å; N840-K842 PolarHBondContact O-N 3.29Å
843	L	56.7	Low	54.7	Low	118 Å²	118	126.3 Å²	126.3	62%	0.618	65%	0.65	S	S	*	*	H	α-helix	trans	-88.3	-5.3	179.5	-75.2	170	0	0	0	113.1	L839 N840 Y845	L839-L843 HydrophobicContact CD2-CD1 3.79Å; L839-L843 HydrophobicContact CD2-CG 4.2Å; L839-L843 WeakPolarHBondContact O-CB 3.44Å; L839-L843 WeakPolarHBondContact O-CG 3.29Å; L839-L843 PolarHBondContact O-N 3.44Å; N840-L843 PolarHBondContact O-N 2.81Å; L843-Y845 PolarHBondContact O-N 2.83Å
844	N	45.8	Very low	52.7	Low	142 Å²	142	130.2 Å²	130.2	76%	0.759	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	56	31.2	178.9	-153.6	105.6	0	0	0	112.2	N840	N840-N844 PolarHBondContact O-N 2.95Å
845	Y	46.1	Very low	50.7	Low	160 Å²	160	131.7 Å²	131.7	63%	0.627	68%	0.675	S	S	*	*			trans	-85.7	118.1	-178.1	179.5	-100.9	0	0	0	110.2	L843 P847	L843-Y845 PolarHBondContact O-N 2.83Å; Y845-P847 HydrophobicContact CD1-CG 4.37Å; Y845-P847 HydrophobicContact CE1-CG 3.96Å
846	V	45.6	Very low	48.8	Very low	114 Å²	114	135.6 Å²	135.6	69%	0.691	69%	0.691	S	S	*	*			trans	-112.6	114.6	176.4	-178.6	0	0	0	0	108.1	S848	V846-S848 PolarHBondContact O-N 3.4Å
847	P	41	Very low	47.4	Very low	92 Å²	92	142 Å²	142	60%	0.597	71%	0.713	S	S	*	*			trans	-62.4	119.9	168.1	-17.1	30.1	0	0	0	109.1	Y845	Y845-P847 HydrophobicContact CD1-CG 4.37Å; Y845-P847 HydrophobicContact CE1-CG 3.96Å
848	S	35.1	Very low	46.1	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	71%	0.712	S	S	*	*			trans	-91	107.1	179.1	-165.8	0	0	0	0	109.9	V846	V846-S848 PolarHBondContact O-N 3.4Å
849	E	34.9	Very low	45.1	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	72%	0.722	S	S	*	*			trans	-71.3	140.7	172.3	-62.1	-176.2	160.7	0	0	110.8
850	V	33.5	Very low	45	Very low	127 Å²	127	139.4 Å²	139.4	77%	0.77	71%	0.706	S	S	*	*			trans	-128.5	135.5	171.3	-177	0	0	0	0	107.2
851	P	34.6	Very low	45.7	Very low	122 Å²	122	140.8 Å²	140.8	79%	0.792	71%	0.705	S	S	*	*			trans	-79.8	157.3	-145.4	-19.2	34.5	0	0	0	116.4
852	Q	31.1	Very low	46.3	Very low	180 Å²	180	136.1 Å²	136.1	84%	0.841	68%	0.681	S	S	*	*			trans	-62.1	143.1	172.6	-64.5	166.9	-24	0	0	112.3
853	Q	29.7	Very low	47	Very low	160 Å²	160	129 Å²	129	75%	0.748	65%	0.651	S	S	*	*			trans	-112.5	123.6	144.3	-72.2	-169.7	0.8	0	0	108.2	Q855	Q853-Q855 VanDerWaalsContact C-N 3.34Å; Q853-Q855 HydrophobicContact CB-CG 4.47Å; Q853-Q855 PolarHBondContact O-N 3.31Å; Q853-Q855 VanDerWaalsContact OE1-NE2 3.14Å
854	E	30.6	Very low	48.6	Very low	191 Å²	191	123.5 Å²	123.5	89%	0.893	62%	0.622	S	S	*	*			trans	-72.8	88.9	171.4	-67.9	-171.4	125.7	0	0	109.9
855	Q	31.6	Very low	50.7	Low	142 Å²	142	117.8 Å²	117.8	66%	0.664	59%	0.591	S	S	*	*			trans	-100.4	137.4	164.4	-60.9	-170.2	16.6	0	0	109	Q853 Q857	Q853-Q855 VanDerWaalsContact C-N 3.34Å; Q853-Q855 HydrophobicContact CB-CG 4.47Å; Q853-Q855 PolarHBondContact O-N 3.31Å; Q853-Q855 VanDerWaalsContact OE1-NE2 3.14Å; Q855-Q857 PolarHBondContact O-N 3.08Å
856	Q	31.7	Very low	52.8	Low	192 Å²	192	110.3 Å²	110.3	90%	0.897	56%	0.561	S	S	*	*			trans	-68.3	94	-172.9	-67.8	172.1	-15.1	0	0	110.4	V858	Q856-V858 PolarHBondContact O-N 3.37Å
857	Q	38.3	Very low	54.8	Low	182 Å²	182	106.9 Å²	106.9	85%	0.85	54%	0.538	S	S	*	.			trans	-68.1	107.2	179.5	-72.6	-172.1	-9.7	0	0	110.6	Q855 F859	Q855-Q857 PolarHBondContact O-N 3.08Å; Q857-F859 PolarHBondContact O-N 3.05Å
858	V	46	Very low	57.2	Low	86 Å²	86	102.7 Å²	102.7	52%	0.521	51%	0.51	S	S	.	.			trans	-62.7	125.7	169.8	178	0	0	0	0	108.3	E762 Q856 S860	E762-V858 HydrophobicContact CB-CG1 4.1Å; Q856-V858 PolarHBondContact O-N 3.37Å; V858-S860 PolarHBondContact O-N 3.08Å
859	F	55.2	Low	59.7	Low	173 Å²	173	97.7 Å²	97.7	76%	0.759	48%	0.475	S	S	*	.			trans	-75.1	93.1	173.8	-79.9	-81.8	0	0	0	109.8	G763 Q857 R861	G763-F859 PolarHBondContact N-O 3.32Å; Q857-F859 PolarHBondContact O-N 3.05Å; F859-R861 PolarHBondContact O-N 2.96Å
860	S	66.3	Low	62.2	Low	27 Å²	27	91.8 Å²	91.8	19%	0.189	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	115.5	168.6	-61.9	0	0	0	0	110	V858 Y862	V858-S860 PolarHBondContact O-N 3.08Å; S860-Y862 WeakPolarHBondContact O-CD2 3.47Å; S860-Y862 WeakPolarHBondContact O-CE2 3.43Å
861	R	81.7	Confident	64.8	Low	114 Å²	114	86.1 Å²	86.1	43%	0.43	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.7	169.2	172.8	172.3	157.5	128.1	-4.3	107.8	T761 F859 E863 E921	T761-R861 PolarHBondContact N-O 3.12Å; T761-R861 PolarHBondContact O-N 2.99Å; F859-R861 PolarHBondContact O-N 2.96Å; R861-E863 HydrophobicContact CG-CG 4.28Å; R861-E863 IonicContact CZ-OE1 3.77Å; R861-E863 IonicContact NE-OE1 2.67Å; R861-E863 PolarHBondContact NE-OE1 3Å; R861-E863 IonicContact NH2-OE1 2.94Å; R861-E863 PolarHBondContact NH2-OE1 3.3Å; R861-E921 IonicContact CZ-OE2 3.48Å; R861-E921 VanDerWaalsContact CZ-OE2 3.3Å; R861-E921 IonicContact NH1-OE2 3.05Å; R861-E921 PolarHBondContact NH1-OE2 3.19Å; R861-E921 IonicContact NH2-OE1 3.99Å; R861-E921 IonicContact NH2-OE2 3.71Å; R861-E921 PolarHBondContact NH2-OE2 2.87Å
862	Y	85	Confident	67.3	Low	58 Å²	58	82.6 Å²	82.6	23%	0.227	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.5	177.6	-61.9	-98.4	0	0	0	108.7	V760 S860 A922 E925	V760-Y862 HydrophobicContact CG1-CD1 4.3Å; V760-Y862 HydrophobicContact CG1-CE1 4.09Å; V760-Y862 HydrophobicContact CG2-CD1 3.87Å; V760-Y862 HydrophobicContact CG2-CE1 3.97Å; S860-Y862 WeakPolarHBondContact O-CD2 3.47Å; S860-Y862 WeakPolarHBondContact O-CE2 3.43Å; Y862-A922 PolarHBondContact N-O 2.88Å; Y862-A922 PolarHBondContact O-N 3.49Å; Y862-E925 HydrophobicContact CD1-CB 4.01Å; Y862-E925 HydrophobicContact CE1-CB 3.96Å
863	E	87.6	Confident	69.9	Low	35 Å²	35	79.1 Å²	79.1	16%	0.164	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.7	174.3	-57.4	-172.7	161.9	0	0	110.2	R759 R861 I920 E921	R759-E863 HydrophobicContact CB-CB 4.42Å; R759-E863 PolarHBondContact N-O 2.98Å; R759-E863 PolarHBondContact O-N 2.75Å; R861-E863 HydrophobicContact CG-CG 4.28Å; R861-E863 IonicContact CZ-OE1 3.77Å; R861-E863 IonicContact NE-OE1 2.67Å; R861-E863 PolarHBondContact NE-OE1 3Å; R861-E863 IonicContact NH2-OE1 2.94Å; R861-E863 PolarHBondContact NH2-OE1 3.3Å; E863-I920 CarbonylContact C-O 3.55Å; E863-I920 VanDerWaalsContact CA-O 3.27Å; E863-I920 WeakPolarHBondContact CA-O 3.46Å; E863-E921 HydrophobicContact CG-CG 4.38Å
864	E	88.8	Confident	72.6	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.5	171.1	-165.9	171.3	134.5	0	0	110	S756 R758 L866 I920 I928 R932	S756-E864 WeakPolarHBondContact CB-OE1 3.45Å; R758-E864 HydrophobicContact CG-CB 4.37Å; R758-E864 HydrophobicContact CG-CG 3.84Å; R758-E864 WeakPolarHBondContact CG-OE2 3.37Å; R758-E864 IonicContact CZ-OE2 3.41Å; R758-E864 IonicContact NE-OE2 3.64Å; R758-E864 PolarHBondContact NE-OE2 3.45Å; R758-E864 IonicContact NH2-OE2 3.36Å; R758-E864 PolarHBondContact NH2-OE2 2.86Å; E864-L866 HydrophobicContact CG-CG 4.36Å; E864-I920 PolarHBondContact N-O 3.29Å; E864-I920 PolarHBondContact O-N 2.84Å; E864-I928 HydrophobicContact CB-CD1 4.36Å; E864-I928 HydrophobicContact CB-CG2 3.75Å; E864-I928 HydrophobicContact CG-CG2 4.47Å; E864-I928 WeakPolarHBondContact OE2-CG2 3.13Å; E864-R932 WeakPolarHBondContact OE1-CD 3.31Å; E864-R932 IonicContact OE1-CZ 3.32Å; E864-R932 IonicContact OE1-NE 3.72Å; E864-R932 IonicContact OE1-NH1 3.28Å; E864-R932 PolarHBondContact OE1-NH1 3.42Å; E864-R932 IonicContact OE2-NH1 2.76Å
865	E	90.9	Very high	75.4	Confident	23 Å²	23	66.8 Å²	66.8	11%	0.107	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.9	172.6	-65.1	175.4	123.1	0	0	108.8	S756 T757 R759 R914 Y917 L918	S756-E865 CarbonylContact C-O 3.51Å; S756-E865 WeakPolarHBondContact CA-O 3.44Å; T757-E865 PolarHBondContact N-O 2.79Å; T757-E865 PolarHBondContact O-N 2.92Å; R759-E865 IonicContact CZ-OE2 3.87Å; R759-E865 IonicContact NE-OE2 2.76Å; R759-E865 PolarHBondContact NE-OE2 3.04Å; R759-E865 IonicContact NH2-OE1 2.66Å; R759-E865 PolarHBondContact NH2-OE1 2.86Å; R759-E865 IonicContact NH2-OE2 3.69Å; R759-E865 PolarHBondContact NH2-OE2 3.11Å; E865-R914 IonicContact OE1-NH1 3.77Å; E865-R914 PolarHBondContact OE1-NH1 3.18Å; E865-Y917 HydrophobicContact CB-CD2 3.91Å; E865-Y917 HydrophobicContact CB-CE2 4.28Å; E865-Y917 HydrophobicContact CG-CD2 3.94Å; E865-Y917 HydrophobicContact CG-CE2 3.8Å; E865-Y917 WeakPolarHBondContact OE1-CE2 3.49Å; E865-L918 CarbonylContact C-O 3.35Å; E865-L918 WeakPolarHBondContact CA-O 3.44Å
866	L	88.9	Confident	78.2	Confident	2 Å²	2	61 Å²	61	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	107.5	-178.3	-83.5	158.8	0	0	0	110.1	M754 E864 I868 Y917 L918 I920 I935	M754-L866 HydrophobicContact CE-CD2 3.56Å; E864-L866 HydrophobicContact CG-CG 4.36Å; L866-I868 PolarHBondContact O-N 2.87Å; L866-Y917 CarbonylContact O-C 3.56Å; L866-Y917 WeakPolarHBondContact O-CA 3.43Å; L866-Y917 WeakPolarHBondContact O-CB 3.49Å; L866-L918 HydrophobicContact CB-CB 4.38Å; L866-L918 PolarHBondContact N-O 3.03Å; L866-L918 PolarHBondContact O-N 3.18Å; L866-I920 HydrophobicContact CD1-CD1 3.64Å; L866-I920 HydrophobicContact CD1-CG1 4.37Å; L866-I935 HydrophobicContact CD1-CD1 4.41Å
867	E	89.1	Confident	80.9	Confident	42 Å²	42	59.6 Å²	59.6	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	117.9	176.6	-167.7	-176.9	168.8	0	0	109.7	K755 N869 R915	K755-E867 HydrophobicContact CB-CB 4.22Å; K755-E867 WeakPolarHBondContact CD-OE2 3.41Å; K755-E867 IonicContact NZ-OE1 2.75Å; K755-E867 IonicContact NZ-OE2 3.99Å; K755-E867 PolarHBondContact O-N 3.02Å; E867-N869 HydrophobicContact CG-CB 4.14Å; E867-R915 WeakPolarHBondContact OE1-CD 3.34Å; E867-R915 IonicContact OE1-CZ 2.68Å; E867-R915 IonicContact OE1-NE 2.91Å; E867-R915 IonicContact OE1-NH1 3.76Å; E867-R915 PolarHBondContact OE1-NH1 3.01Å
868	I	90.4	Very high	83.5	Confident	4 Å²	4	55 Å²	55	2%	0.021	25%	0.252	C	S	.	.			trans	-111	1.5	177.8	60.1	162.2	0	0	0	112.5	L866 D870 F871 R876 I879 T880 L916 L918	L866-I868 PolarHBondContact O-N 2.87Å; I868-D870 VanDerWaalsContact C-N 3.29Å; I868-D870 PolarHBondContact O-N 2.68Å; I868-F871 HydrophobicContact CB-CD2 4.49Å; I868-F871 PolarHBondContact O-N 3.48Å; I868-R876 WeakPolarHBondContact O-CD 3.45Å; I868-R876 WeakPolarHBondContact O-CG 3.47Å; I868-I879 HydrophobicContact CD1-CG2 3.87Å; I868-T880 HydrophobicContact CD1-CG2 3.59Å; I868-L916 HydrophobicContact CD1-CD2 3.84Å; I868-L916 HydrophobicContact CD1-CG 3.97Å; I868-L916 HydrophobicContact CG1-CB 4.48Å; I868-L916 HydrophobicContact CG1-CD2 4.01Å; I868-L916 HydrophobicContact CG1-CG 3.86Å; I868-L916 PolarHBondContact N-O 2.81Å; I868-L918 HydrophobicContact CD1-CD2 4.04Å; I868-L918 HydrophobicContact CD1-CG 3.99Å; I868-L918 HydrophobicContact CG1-CG 4.44Å; I868-L918 HydrophobicContact CG2-CD1 4.14Å; I868-L918 HydrophobicContact CG2-CG 4.09Å
869	N	88.8	Confident	85.6	Confident	5 Å²	5	51 Å²	51	3%	0.027	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-39.8	-172.8	-173.7	84.4	0	0	0	114.2	E867 F871 R876 V903 R915 L916	E867-N869 HydrophobicContact CG-CB 4.14Å; N869-F871 VanDerWaalsContact C-N 3.31Å; N869-F871 PolarHBondContact O-N 3.44Å; N869-R876 WeakPolarHBondContact O-CD 3.47Å; N869-V903 PolarHBondContact ND2-O 2.88Å; N869-V903 PolarHBondContact OD1-N 2.79Å; N869-V903 PolarHBondContact OD1-O 2.81Å; N869-R915 HydrophobicContact CB-CB 3.99Å; N869-L916 HydrophobicContact CB-CB 4.32Å; N869-L916 PolarHBondContact N-O 3.26Å; N869-L916 VanDerWaalsContact N-O 3.16Å
870	D	86.7	Confident	87.4	Confident	62 Å²	62	44.7 Å²	44.7	33%	0.332	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0.3	-167.9	-58.8	-17.8	0	0	0	113	L753 K755 I868 R915	L753-D870 HydrophobicContact CD2-CB 4.14Å; K755-D870 IonicContact NZ-OD2 3.37Å; K755-D870 PolarHBondContact NZ-OD2 2.95Å; I868-D870 VanDerWaalsContact C-N 3.29Å; I868-D870 PolarHBondContact O-N 2.68Å; D870-R915 IonicContact OD1-NH1 2.79Å; D870-R915 PolarHBondContact OD1-NH1 3.41Å; D870-R915 IonicContact OD2-NH1 2.68Å; D870-R915 PolarHBondContact OD2-NH1 2.95Å
871	F	88.5	Confident	88.5	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-77.8	159	176	-80.2	-92.2	0	0	0	113.7	L753 M754 I868 N869 V875 R876 L939 L943	L753-F871 HydrophobicContact CB-CD2 4.24Å; L753-F871 HydrophobicContact CB-CE1 4.22Å; L753-F871 HydrophobicContact CB-CE2 3.68Å; L753-F871 HydrophobicContact CB-CZ 3.66Å; L753-F871 HydrophobicContact CD1-CD1 4.07Å; L753-F871 HydrophobicContact CD1-CE1 4.02Å; L753-F871 HydrophobicContact CD1-CG 4.42Å; L753-F871 HydrophobicContact CD1-CZ 4.32Å; M754-F871 HydrophobicContact CG-CE2 3.98Å; M754-F871 HydrophobicContact CG-CZ 3.73Å; I868-F871 HydrophobicContact CB-CD2 4.49Å; I868-F871 PolarHBondContact O-N 3.48Å; N869-F871 VanDerWaalsContact C-N 3.31Å; N869-F871 PolarHBondContact O-N 3.44Å; F871-V875 HydrophobicContact CB-CB 4.48Å; F871-V875 HydrophobicContact CB-CG1 4.38Å; F871-V875 HydrophobicContact CD1-CG1 3.93Å; F871-V875 HydrophobicContact CG-CG1 4.43Å; F871-R876 HydrophobicContact CB-CG 3.72Å; F871-R876 WeakPolarHBondContact O-CD 3.13Å; F871-R876 PolarHBondContact O-NE 3.31Å; F871-L939 HydrophobicContact CD1-CD2 4.24Å; F871-L939 HydrophobicContact CE1-CD1 4.3Å; F871-L939 HydrophobicContact CE1-CD2 4.1Å; F871-L939 HydrophobicContact CZ-CD1 3.99Å; F871-L939 HydrophobicContact CZ-CD2 4.42Å; F871-L943 HydrophobicContact CE1-CD1 4.29Å
872	P	86.4	Confident	88.9	Confident	49 Å²	49	49.9 Å²	49.9	32%	0.318	22%	0.223	S	C	.	.			trans	-56.5	149.8	172.3	-25.3	35.2	0	0	0	113.4	Q874 V875 R876 L943 L946	P872-Q874 VanDerWaalsContact C-N 3.34Å; P872-Q874 PolarHBondContact O-N 3.06Å; P872-V875 HydrophobicContact CB-CG2 4.15Å; P872-V875 HydrophobicContact CG-CG2 4.29Å; P872-V875 PolarHBondContact O-N 2.7Å; P872-R876 PolarHBondContact O-N 3.1Å; P872-L943 HydrophobicContact CG-CD2 4.19Å; P872-L946 HydrophobicContact CB-CD1 3.56Å; P872-L946 HydrophobicContact CG-CD1 3.94Å
873	Q	85.6	Confident	89.2	Confident	107 Å²	107	53.3 Å²	53.3	50%	0.5	24%	0.241	S	C	.	.	H	α-helix	trans	-57.9	-40.8	-173.3	-176.4	172.3	10.7	0	0	113.8	R876 W877	Q873-R876 PolarHBondContact O-N 3.24Å; Q873-W877 HydrophobicContact CG-CD2 4Å; Q873-W877 HydrophobicContact CG-CE3 4.06Å; Q873-W877 HydrophobicContact CG-CH2 4.08Å; Q873-W877 HydrophobicContact CG-CZ2 4Å; Q873-W877 HydrophobicContact CG-CZ3 4.09Å; Q873-W877 PolarHBondContact O-N 2.83Å
874	Q	85.9	Confident	89.3	Confident	90 Å²	90	51.8 Å²	51.8	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-65.1	-45.8	178.5	-64.2	-179.2	-0.5	0	0	111.7	P872 R876 W877 R878 L946	P872-Q874 VanDerWaalsContact C-N 3.34Å; P872-Q874 PolarHBondContact O-N 3.06Å; Q874-R876 PolarHBondContact O-N 3.16Å; Q874-W877 PolarHBondContact O-N 3.25Å; Q874-R878 PolarHBondContact O-N 2.89Å; Q874-L946 HydrophobicContact CG-CD2 4.48Å
875	V	90.2	Very high	89.5	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-46.4	176	-177.7	0	0	0	0	111	F871 P872 W877 R878 I879 L939 E942 L943 L946	F871-V875 HydrophobicContact CB-CB 4.48Å; F871-V875 HydrophobicContact CB-CG1 4.38Å; F871-V875 HydrophobicContact CD1-CG1 3.93Å; F871-V875 HydrophobicContact CG-CG1 4.43Å; P872-V875 HydrophobicContact CB-CG2 4.15Å; P872-V875 HydrophobicContact CG-CG2 4.29Å; P872-V875 PolarHBondContact O-N 2.7Å; V875-W877 PolarHBondContact O-N 3.46Å; V875-R878 PolarHBondContact O-N 2.89Å; V875-I879 PolarHBondContact O-N 2.99Å; V875-L939 HydrophobicContact CG1-CD2 3.32Å; V875-E942 HydrophobicContact CG2-CB 4.23Å; V875-E942 HydrophobicContact CG2-CG 4.31Å; V875-L943 HydrophobicContact CG2-CD2 3.95Å; V875-L943 HydrophobicContact CG2-CG 4.14Å; V875-L946 HydrophobicContact CG2-CD1 3.55Å
876	R	90.2	Very high	89.5	Confident	19 Å²	19	54.4 Å²	54.4	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-46.1	176.9	-71.6	-173	-70.3	126.2	-14.8	111.6	I868 N869 F871 P872 Q873 Q874 R878 I879 T880 Y902	I868-R876 WeakPolarHBondContact O-CD 3.45Å; I868-R876 WeakPolarHBondContact O-CG 3.47Å; N869-R876 WeakPolarHBondContact O-CD 3.47Å; F871-R876 HydrophobicContact CB-CG 3.72Å; F871-R876 WeakPolarHBondContact O-CD 3.13Å; F871-R876 PolarHBondContact O-NE 3.31Å; P872-R876 PolarHBondContact O-N 3.1Å; Q873-R876 PolarHBondContact O-N 3.24Å; Q874-R876 PolarHBondContact O-N 3.16Å; R876-R878 PolarHBondContact O-N 3.38Å; R876-I879 PolarHBondContact O-N 3.43Å; R876-T880 WeakPolarHBondContact O-CB 3.18Å; R876-T880 WeakPolarHBondContact O-CG2 3.46Å; R876-T880 PolarHBondContact O-N 3.07Å; R876-T880 PolarHBondContact O-OG1 2.69Å; R876-Y902 VanDerWaalsContact CZ-CE2 3.49Å; R876-Y902 VanDerWaalsContact NH1-CG 3.25Å
877	W	89.3	Confident	89.6	Confident	163 Å²	163	60.1 Å²	60.1	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-42.3	176.3	-75.3	-24.2	0	0	0	112.9	Q873 Q874 V875 T880 S881	Q873-W877 HydrophobicContact CG-CD2 4Å; Q873-W877 HydrophobicContact CG-CE3 4.06Å; Q873-W877 HydrophobicContact CG-CH2 4.08Å; Q873-W877 HydrophobicContact CG-CZ2 4Å; Q873-W877 HydrophobicContact CG-CZ3 4.09Å; Q873-W877 PolarHBondContact O-N 2.83Å; Q874-W877 PolarHBondContact O-N 3.25Å; V875-W877 PolarHBondContact O-N 3.46Å; W877-T880 PolarHBondContact O-N 2.91Å; W877-T880 PolarHBondContact O-OG1 3.05Å; W877-S881 PolarHBondContact O-N 3.41Å
878	R	91.2	Very high	89.7	Confident	87 Å²	87	58.3 Å²	58.3	33%	0.328	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-49.8	177.6	-169.6	65.9	176.6	153.3	0.3	111.5	Q874 V875 R876 T880 S881 T884 V938 E942	Q874-R878 PolarHBondContact O-N 2.89Å; V875-R878 PolarHBondContact O-N 2.89Å; R876-R878 PolarHBondContact O-N 3.38Å; R878-T880 VanDerWaalsContact C-N 3.34Å; R878-T880 PolarHBondContact O-N 3.25Å; R878-S881 VanDerWaalsContact O-CB 3.29Å; R878-S881 WeakPolarHBondContact O-CB 3.15Å; R878-S881 PolarHBondContact O-N 3.26Å; R878-S881 VanDerWaalsContact O-N 3.12Å; R878-S881 PolarHBondContact O-OG 2.98Å; R878-T884 WeakPolarHBondContact O-CB 3.17Å; R878-T884 PolarHBondContact O-OG1 3.23Å; R878-V938 HydrophobicContact CG-CG1 4.25Å; R878-E942 HydrophobicContact CB-CG 3.97Å; R878-E942 HydrophobicContact CG-CG 4.17Å
879	I	91.5	Very high	89.8	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-72.4	-23.3	-178.1	-154.3	70.6	0	0	0	113.5	I868 V875 R876 T884 L885 I888 L918 I935 V938 L939	I868-I879 HydrophobicContact CD1-CG2 3.87Å; V875-I879 PolarHBondContact O-N 2.99Å; R876-I879 PolarHBondContact O-N 3.43Å; I879-T884 HydrophobicContact CD1-CG2 4.2Å; I879-L885 WeakPolarHBondContact O-CD2 3.34Å; I879-L885 WeakPolarHBondContact O-CG 3.24Å; I879-I888 HydrophobicContact CD1-CD1 4.28Å; I879-L918 HydrophobicContact CG1-CD1 3.91Å; I879-I935 HydrophobicContact CD1-CB 4.42Å; I879-I935 HydrophobicContact CD1-CG1 4.34Å; I879-I935 HydrophobicContact CD1-CG2 4.11Å; I879-I935 HydrophobicContact CG1-CG2 4.28Å; I879-V938 HydrophobicContact CD1-CB 3.86Å; I879-V938 HydrophobicContact CD1-CG1 3.77Å; I879-L939 HydrophobicContact CB-CD2 4.4Å; I879-L939 HydrophobicContact CG1-CD2 4.42Å; I879-L939 HydrophobicContact CG2-CD2 4.5Å
880	T	91.8	Very high	89.9	Confident	41 Å²	41	68.8 Å²	68.8	25%	0.252	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.4	170.2	62.1	0	0	0	0	114.2	I868 R876 W877 R878 V898 L918	I868-T880 HydrophobicContact CD1-CG2 3.59Å; R876-T880 WeakPolarHBondContact O-CB 3.18Å; R876-T880 WeakPolarHBondContact O-CG2 3.46Å; R876-T880 PolarHBondContact O-N 3.07Å; R876-T880 PolarHBondContact O-OG1 2.69Å; W877-T880 PolarHBondContact O-N 2.91Å; W877-T880 PolarHBondContact O-OG1 3.05Å; R878-T880 VanDerWaalsContact C-N 3.34Å; R878-T880 PolarHBondContact O-N 3.25Å; T880-V898 HydrophobicContact CG2-CG1 3.91Å; T880-V898 HydrophobicContact CG2-CG2 4.14Å; T880-L918 HydrophobicContact CG2-CD2 4.46Å
881	S	90.9	Very high	90.1	Very high	29 Å²	29	72.8 Å²	72.8	20%	0.203	33%	0.332	C	S	.	.	S	Bend	trans	-71.4	142.9	-178	75.6	0	0	0	0	111.4	W877 R878 E883 T884 L885	W877-S881 PolarHBondContact O-N 3.41Å; R878-S881 VanDerWaalsContact O-CB 3.29Å; R878-S881 WeakPolarHBondContact O-CB 3.15Å; R878-S881 PolarHBondContact O-N 3.26Å; R878-S881 VanDerWaalsContact O-N 3.12Å; R878-S881 PolarHBondContact O-OG 2.98Å; S881-E883 PolarHBondContact O-N 3.36Å; S881-T884 PolarHBondContact O-N 2.72Å; S881-T884 WeakPolarHBondContact OG-CB 3.15Å; S881-T884 PolarHBondContact OG-N 2.91Å; S881-T884 PolarHBondContact OG-OG1 3.09Å; S881-T884 VanDerWaalsContact OG-OG1 3.13Å; S881-L885 WeakPolarHBondContact O-CB 3.33Å; S881-L885 WeakPolarHBondContact O-CG 3.39Å; S881-L885 PolarHBondContact O-N 3.07Å
882	R	90	Very high	90.1	Very high	221 Å²	221	72.5 Å²	72.5	83%	0.834	33%	0.331	S	S	*	.	H	α-helix	trans	-60.9	-35	-176.6	-165.5	-174.8	73.2	175.4	2.3	112.4	S886	R882-S886 VanDerWaalsContact O-CB 3.28Å; R882-S886 WeakPolarHBondContact O-CB 3.2Å; R882-S886 PolarHBondContact O-N 3.01Å
883	E	90.5	Very high	90.3	Very high	130 Å²	130	77.6 Å²	77.6	61%	0.607	35%	0.351	S	S	*	.	H	α-helix	trans	-65.1	-56.6	179.1	-67.3	164.4	-171.4	0	0	111.1	S881 L885 S886 Q887	S881-E883 PolarHBondContact O-N 3.36Å; E883-L885 VanDerWaalsContact C-N 3.34Å; E883-L885 PolarHBondContact O-N 2.77Å; E883-S886 PolarHBondContact O-N 3.11Å; E883-Q887 WeakPolarHBondContact O-CG 3.26Å; E883-Q887 PolarHBondContact O-N 3.29Å
884	T	90.4	Very high	90.6	Very high	3 Å²	3	73 Å²	73	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-44.3	177.4	-63.7	0	0	0	0	111.7	R878 I879 S881 S886 Q887 I888 V938	R878-T884 WeakPolarHBondContact O-CB 3.17Å; R878-T884 PolarHBondContact O-OG1 3.23Å; I879-T884 HydrophobicContact CD1-CG2 4.2Å; S881-T884 PolarHBondContact O-N 2.72Å; S881-T884 WeakPolarHBondContact OG-CB 3.15Å; S881-T884 PolarHBondContact OG-N 2.91Å; S881-T884 PolarHBondContact OG-OG1 3.09Å; S881-T884 VanDerWaalsContact OG-OG1 3.13Å; T884-S886 PolarHBondContact O-N 3.34Å; T884-Q887 PolarHBondContact O-N 2.79Å; T884-I888 HydrophobicContact CG2-CD1 3.77Å; T884-I888 VanDerWaalsContact O-CG1 3.25Å; T884-I888 WeakPolarHBondContact O-CG1 3.41Å; T884-I888 PolarHBondContact O-N 3.36Å; T884-I888 VanDerWaalsContact O-N 3.08Å; T884-V938 HydrophobicContact CG2-CG1 4Å; T884-V938 HydrophobicContact CG2-CG2 4.27Å
885	L	92.4	Very high	90.8	Very high	17 Å²	17	70.5 Å²	70.5	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-41.3	177.9	-71.1	172.9	0	0	0	112.2	I879 S881 E883 I888 Q889 I896 V898 L918	I879-L885 WeakPolarHBondContact O-CD2 3.34Å; I879-L885 WeakPolarHBondContact O-CG 3.24Å; S881-L885 WeakPolarHBondContact O-CB 3.33Å; S881-L885 WeakPolarHBondContact O-CG 3.39Å; S881-L885 PolarHBondContact O-N 3.07Å; E883-L885 VanDerWaalsContact C-N 3.34Å; E883-L885 PolarHBondContact O-N 2.77Å; L885-I888 PolarHBondContact O-N 2.97Å; L885-Q889 WeakPolarHBondContact O-CB 3.1Å; L885-Q889 VanDerWaalsContact O-CG 3.22Å; L885-Q889 WeakPolarHBondContact O-CG 3.48Å; L885-Q889 PolarHBondContact O-N 3.35Å; L885-I896 HydrophobicContact CD2-CB 4.38Å; L885-I896 HydrophobicContact CD2-CG2 3.72Å; L885-V898 HydrophobicContact CD1-CG2 3.64Å; L885-L918 HydrophobicContact CD2-CD2 4.39Å
886	S	91.3	Very high	90.9	Very high	62 Å²	62	71 Å²	71	43%	0.434	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-43.1	177	-164.2	0	0	0	0	111.9	R882 E883 T884 I888 Q889 E890	R882-S886 VanDerWaalsContact O-CB 3.28Å; R882-S886 WeakPolarHBondContact O-CB 3.2Å; R882-S886 PolarHBondContact O-N 3.01Å; E883-S886 PolarHBondContact O-N 3.11Å; T884-S886 PolarHBondContact O-N 3.34Å; S886-I888 PolarHBondContact O-N 3.33Å; S886-Q889 PolarHBondContact O-N 2.89Å; S886-E890 WeakPolarHBondContact O-CB 3.48Å; S886-E890 PolarHBondContact O-N 3.27Å
887	Q	90.7	Very high	90.9	Very high	122 Å²	122	71.8 Å²	71.8	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-41.8	177.8	-72.2	169.6	-13.5	0	0	111.9	E883 T884 Y891	E883-Q887 WeakPolarHBondContact O-CG 3.26Å; E883-Q887 PolarHBondContact O-N 3.29Å; T884-Q887 PolarHBondContact O-N 2.79Å; Q887-Y891 WeakPolarHBondContact O-CB 3.27Å; Q887-Y891 PolarHBondContact O-N 2.88Å
888	I	92.1	Very high	91.1	Very high	3 Å²	3	67 Å²	67	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-72.4	-38.7	179.3	-58.8	168	0	0	0	111.2	I879 T884 L885 S886 A892 I896 A931 E934 I935	I879-I888 HydrophobicContact CD1-CD1 4.28Å; T884-I888 HydrophobicContact CG2-CD1 3.77Å; T884-I888 VanDerWaalsContact O-CG1 3.25Å; T884-I888 WeakPolarHBondContact O-CG1 3.41Å; T884-I888 PolarHBondContact O-N 3.36Å; T884-I888 VanDerWaalsContact O-N 3.08Å; L885-I888 PolarHBondContact O-N 2.97Å; S886-I888 PolarHBondContact O-N 3.33Å; I888-A892 WeakPolarHBondContact O-CB 3.16Å; I888-A892 PolarHBondContact O-N 2.93Å; I888-I896 HydrophobicContact CB-CD1 3.99Å; I888-I896 HydrophobicContact CG2-CD1 3.53Å; I888-A931 HydrophobicContact CG2-CB 4.35Å; I888-E934 HydrophobicContact CG1-CG 3.87Å; I888-E934 HydrophobicContact CG2-CB 4.36Å; I888-E934 HydrophobicContact CG2-CG 4.47Å; I888-I935 HydrophobicContact CD1-CG1 3.89Å; I888-I935 HydrophobicContact CG2-CG1 4.31Å
889	Q	92.1	Very high	91	Very high	70 Å²	70	66.1 Å²	66.1	33%	0.327	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-44.2	174.7	-74.6	177.2	2.8	0	0	111.9	L885 S886 E893 V894 I896	L885-Q889 WeakPolarHBondContact O-CB 3.1Å; L885-Q889 VanDerWaalsContact O-CG 3.22Å; L885-Q889 WeakPolarHBondContact O-CG 3.48Å; L885-Q889 PolarHBondContact O-N 3.35Å; S886-Q889 PolarHBondContact O-N 2.89Å; Q889-E893 WeakPolarHBondContact O-CA 3.19Å; Q889-E893 PolarHBondContact O-N 3.42Å; Q889-E893 VanDerWaalsContact O-N 3.09Å; Q889-V894 WeakPolarHBondContact CB-O 3.27Å; Q889-V894 WeakPolarHBondContact CG-O 3.42Å; Q889-V894 PolarHBondContact O-N 2.95Å; Q889-I896 HydrophobicContact CG-CB 4.04Å; Q889-I896 HydrophobicContact CG-CD1 4.14Å; Q889-I896 HydrophobicContact CG-CG1 3.94Å; Q889-I896 PolarHBondContact NE2-O 2.96Å
890	E	90.7	Very high	90.8	Very high	160 Å²	160	68 Å²	68	75%	0.748	35%	0.346	S	S	*	.	H	α-helix	trans	-70.1	-44.1	178.4	-173.2	169.1	-163.2	0	0	112.2	S886 A892	S886-E890 WeakPolarHBondContact O-CB 3.48Å; S886-E890 PolarHBondContact O-N 3.27Å; E890-A892 PolarHBondContact O-N 3.04Å
891	Y	89.9	Confident	90.5	Very high	146 Å²	146	68 Å²	68	57%	0.573	35%	0.347	S	S	*	.	H	α-helix	trans	-66.2	-36.9	-179.7	174.3	-110.4	0	0	0	114.2	Q887 E934	Q887-Y891 WeakPolarHBondContact O-CB 3.27Å; Q887-Y891 PolarHBondContact O-N 2.88Å; Y891-E934 HydrophobicContact CD1-CB 4.02Å; Y891-E934 HydrophobicContact CD1-CG 3.96Å; Y891-E934 HydrophobicContact CE1-CB 4.09Å; Y891-E934 HydrophobicContact CE1-CG 4.28Å
892	A	88.9	Confident	90.4	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.008	36%	0.357	C	S	.	.	H	α-helix	trans	-106.8	-1.7	-173.4	0	0	0	0	0	114.8	I888 E890 V894 S927 R930 A931	I888-A892 WeakPolarHBondContact O-CB 3.16Å; I888-A892 PolarHBondContact O-N 2.93Å; E890-A892 PolarHBondContact O-N 3.04Å; A892-V894 HydrophobicContact CB-CG1 4.35Å; A892-V894 HydrophobicContact CB-CG2 4.09Å; A892-S927 WeakPolarHBondContact O-CB 3.21Å; A892-R930 HydrophobicContact CB-CB 3.83Å; A892-A931 HydrophobicContact CB-CB 3.76Å
893	E	89.9	Confident	90.2	Very high	156 Å²	156	61.5 Å²	61.5	73%	0.729	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	48.1	-176.1	-59.2	-177.6	170.8	0	0	113.1	Q889	Q889-E893 WeakPolarHBondContact O-CA 3.19Å; Q889-E893 PolarHBondContact O-N 3.42Å; Q889-E893 VanDerWaalsContact O-N 3.09Å
894	V	91.9	Very high	89.7	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.067	31%	0.307	C	S	.	.			trans	-125.8	154.1	-177.2	-64.7	0	0	0	0	112.9	Q889 A892 I896 I920 A922 S927 A931	Q889-V894 WeakPolarHBondContact CB-O 3.27Å; Q889-V894 WeakPolarHBondContact CG-O 3.42Å; Q889-V894 PolarHBondContact O-N 2.95Å; A892-V894 HydrophobicContact CB-CG1 4.35Å; A892-V894 HydrophobicContact CB-CG2 4.09Å; V894-I896 HydrophobicContact CG2-CD1 3.81Å; V894-I896 HydrophobicContact CG2-CG1 3.68Å; V894-I920 HydrophobicContact CB-CG2 3.94Å; V894-I920 HydrophobicContact CG1-CG2 4.07Å; V894-I920 HydrophobicContact CG2-CG2 4.12Å; V894-A922 HydrophobicContact CG1-CB 3.9Å; V894-S927 WeakPolarHBondContact CG1-O 3.47Å; V894-A931 HydrophobicContact CB-CB 4.43Å; V894-A931 HydrophobicContact CG1-CB 4.04Å; V894-A931 HydrophobicContact CG2-CB 3.64Å
895	G	91.1	Very high	89.1	Confident	36 Å²	36	63.1 Å²	63.1	37%	0.371	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.5	160.7	0	0	0	0	0	110.1	I920 E921	G895-I920 CarbonylContact O-C 3.51Å; G895-I920 WeakPolarHBondContact O-CA 3.31Å; G895-E921 PolarHBondContact N-O 3.27Å; G895-E921 PolarHBondContact O-N 2.83Å
896	I	92	Very high	88.3	Confident	13 Å²	13	66.5 Å²	66.5	7%	0.067	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.4	173.2	-52.9	174.2	0	0	0	109.5	L885 I888 Q889 V894 C919 I920 I935	L885-I896 HydrophobicContact CD2-CB 4.38Å; L885-I896 HydrophobicContact CD2-CG2 3.72Å; I888-I896 HydrophobicContact CB-CD1 3.99Å; I888-I896 HydrophobicContact CG2-CD1 3.53Å; Q889-I896 HydrophobicContact CG-CB 4.04Å; Q889-I896 HydrophobicContact CG-CD1 4.14Å; Q889-I896 HydrophobicContact CG-CG1 3.94Å; Q889-I896 PolarHBondContact NE2-O 2.96Å; V894-I896 HydrophobicContact CG2-CD1 3.81Å; V894-I896 HydrophobicContact CG2-CG1 3.68Å; I896-C919 WeakPolarHBondContact CA-O 3.42Å; I896-I920 HydrophobicContact CG1-CG1 4.4Å; I896-I920 HydrophobicContact CG1-CG2 4.43Å; I896-I935 HydrophobicContact CD1-CD1 4.49Å
897	S	91.3	Very high	87.7	Confident	35 Å²	35	70.5 Å²	70.5	25%	0.245	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.6	178.9	52.6	0	0	0	0	111.5	K899 C919	S897-K899 WeakPolarHBondContact OG-CE 3.14Å; S897-K899 PolarHBondContact OG-NZ 3.45Å; S897-K899 VanDerWaalsContact OG-NZ 3.12Å; S897-C919 PolarHBondContact N-O 3.48Å; S897-C919 PolarHBondContact O-N 3.32Å; S897-C919 PolarHBondContact OG-O 2.72Å
898	V	92.3	Very high	86.9	Confident	64 Å²	64	73.2 Å²	73.2	39%	0.388	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.2	171.6	-170.8	0	0	0	0	108.1	T880 L885 L916 L918	T880-V898 HydrophobicContact CG2-CG1 3.91Å; T880-V898 HydrophobicContact CG2-CG2 4.14Å; L885-V898 HydrophobicContact CD1-CG2 3.64Å; V898-L916 HydrophobicContact CG1-CD1 3.77Å; V898-L918 HydrophobicContact CB-CD2 4.49Å; V898-L918 HydrophobicContact CG2-CD2 3.87Å
899	K	90.4	Very high	86.1	Confident	67 Å²	67	75.8 Å²	75.8	29%	0.291	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.6	-176.9	-67.3	173.6	-178.6	152.1	0	109.9	S897 Y917 C919 E921	S897-K899 WeakPolarHBondContact OG-CE 3.14Å; S897-K899 PolarHBondContact OG-NZ 3.45Å; S897-K899 VanDerWaalsContact OG-NZ 3.12Å; K899-Y917 HydrophobicContact CB-CD1 3.91Å; K899-Y917 HydrophobicContact CB-CD2 4.25Å; K899-Y917 HydrophobicContact CB-CE1 3.38Å; K899-Y917 HydrophobicContact CB-CE2 3.76Å; K899-Y917 HydrophobicContact CB-CG 4.33Å; K899-Y917 HydrophobicContact CD-CE2 4Å; K899-Y917 HydrophobicContact CG-CE2 4.47Å; K899-Y917 PolarHBondContact N-O 3.4Å; K899-Y917 WeakPolarHBondContact O-CD1 3.37Å; K899-Y917 PolarHBondContact O-N 2.78Å; K899-Y917 VanDerWaalsContact O-O 3.06Å; K899-C919 HydrophobicContact CD-CB 3.73Å; K899-C919 PolarHBondContact NZ-SG 2.88Å; K899-E921 IonicContact NZ-OE1 3.39Å; K899-E921 PolarHBondContact NZ-OE1 2.92Å
900	G	86.9	Confident	85.3	Confident	41 Å²	41	80.2 Å²	80.2	42%	0.423	44%	0.438	S	S	.	.	S	Bend	trans	77.9	-178.5	-176.7	0	0	0	0	0	114.7	R914	G900-R914 CarbonylContact C-O 3.6Å; G900-R914 WeakPolarHBondContact CA-O 3.49Å
901	S	85.5	Confident	84.3	Confident	40 Å²	40	82.5 Å²	82.5	28%	0.28	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-123.8	152.4	-178.1	65.3	0	0	0	0	111.3	V903 D913 R914 R915 L916	S901-V903 PolarHBondContact O-N 3.31Å; S901-D913 PolarHBondContact OG-OD2 2.79Å; S901-R914 PolarHBondContact N-O 2.66Å; S901-R915 CarbonylContact O-C 3.52Å; S901-R915 WeakPolarHBondContact O-CA 3.4Å; S901-L916 PolarHBondContact O-N 3.13Å
902	Y	87.4	Confident	83.5	Confident	105 Å²	105	79.4 Å²	79.4	41%	0.412	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-72.1	119.6	176.8	168.9	-124.7	0	0	0	110.7	R876 P904	R876-Y902 VanDerWaalsContact CZ-CE2 3.49Å; R876-Y902 VanDerWaalsContact NH1-CG 3.25Å; Y902-P904 HydrophobicContact CE1-CG 4.19Å
903	V	86	Confident	83	Confident	9 Å²	9	82.9 Å²	82.9	6%	0.055	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-102.8	116.9	174.4	-175.5	0	0	0	0	108.4	N869 S901 K907 P909 R915	N869-V903 PolarHBondContact ND2-O 2.88Å; N869-V903 PolarHBondContact OD1-N 2.79Å; N869-V903 PolarHBondContact OD1-O 2.81Å; S901-V903 PolarHBondContact O-N 3.31Å; V903-K907 HydrophobicContact CG1-CB 4.19Å; V903-K907 WeakPolarHBondContact CG1-O 3.41Å; V903-P909 HydrophobicContact CG2-CB 4.03Å; V903-R915 HydrophobicContact CB-CG 4.3Å; V903-R915 HydrophobicContact CG2-CG 3.99Å
904	P	81.6	Confident	82.7	Confident	53 Å²	53	81.9 Å²	81.9	34%	0.344	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-59	146.4	176.9	-24.9	34.8	0	0	0	112.4	Y902 G906 K907	Y902-P904 HydrophobicContact CE1-CG 4.19Å; P904-G906 PolarHBondContact O-N 2.81Å; P904-K907 PolarHBondContact O-N 3.05Å; P904-K907 VanDerWaalsContact O-N 3.09Å
905	P	76	Confident	82.5	Confident	114 Å²	114	85.7 Å²	85.7	74%	0.74	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	136.9	177.5	24.3	-34.2	0	0	0	111	K907	P905-K907 VanDerWaalsContact C-N 3.35Å
906	G	75.7	Confident	82.5	Confident	88 Å²	88	85 Å²	85	91%	0.907	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	5.4	-175.7	0	0	0	0	0	115.5	P904	P904-G906 PolarHBondContact O-N 2.81Å
907	K	79.1	Confident	82.4	Confident	146 Å²	146	85.9 Å²	85.9	64%	0.635	47%	0.473	S	S	*	.			trans	-112.8	147.1	166.5	-64.3	-169.4	176.9	-175.2	0	111	V903 P904 P905	V903-K907 HydrophobicContact CG1-CB 4.19Å; V903-K907 WeakPolarHBondContact CG1-O 3.41Å; P904-K907 PolarHBondContact O-N 3.05Å; P904-K907 VanDerWaalsContact O-N 3.09Å; P905-K907 VanDerWaalsContact C-N 3.35Å
908	E	74.1	Confident	82.5	Confident	179 Å²	179	84.2 Å²	84.2	84%	0.836	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-79.5	152.6	166.6	-65.8	-174.9	157.6	0	0	109.9
909	P	74.9	Confident	82.5	Confident	57 Å²	57	81.3 Å²	81.3	37%	0.37	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-58.9	152.7	168.7	26.7	-34.3	0	0	0	110.4	V903 D913	V903-P909 HydrophobicContact CG2-CB 4.03Å; P909-D913 HydrophobicContact CB-CB 4.48Å; P909-D913 WeakPolarHBondContact CB-O 3.34Å
910	K	75.2	Confident	82.6	Confident	163 Å²	163	78.1 Å²	78.1	71%	0.709	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-64.5	152.6	169	-67	179.4	179.6	177	0	109.7	G912 D913	K910-G912 PolarHBondContact O-N 3.27Å; K910-D913 HydrophobicContact CB-CB 4.26Å; K910-D913 PolarHBondContact O-N 3.35Å
911	E	71.2	Confident	82.9	Confident	209 Å²	209	78.4 Å²	78.4	98%	0.977	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	109.6	178.7	-166.5	168.6	-153.5	0	0	110.9
912	G	73.1	Confident	83.1	Confident	80 Å²	80	77 Å²	77	83%	0.825	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-22.7	-175	0	0	0	0	0	115.9	K910	K910-G912 PolarHBondContact O-N 3.27Å
913	D	77.7	Confident	83	Confident	75 Å²	75	77.4 Å²	77.4	40%	0.401	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-75.5	144.3	175	-86.5	-20.3	0	0	0	111.2	S901 P909 K910	S901-D913 PolarHBondContact OG-OD2 2.79Å; P909-D913 HydrophobicContact CB-CB 4.48Å; P909-D913 WeakPolarHBondContact CB-O 3.34Å; K910-D913 HydrophobicContact CB-CB 4.26Å; K910-D913 PolarHBondContact O-N 3.35Å
914	R	83.2	Confident	83	Confident	134 Å²	134	79.1 Å²	79.1	51%	0.506	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-103.6	147.8	164	-63.5	-169.5	-168.9	173.5	4.8	109.8	E865 G900 S901 Y917	E865-R914 IonicContact OE1-NH1 3.77Å; E865-R914 PolarHBondContact OE1-NH1 3.18Å; G900-R914 CarbonylContact C-O 3.6Å; G900-R914 WeakPolarHBondContact CA-O 3.49Å; S901-R914 PolarHBondContact N-O 2.66Å; R914-Y917 HydrophobicContact CB-CE1 4.08Å; R914-Y917 PolarHBondContact NH1-OH 3.09Å
915	R	87.9	Confident	83.2	Confident	91 Å²	91	80.8 Å²	80.8	34%	0.343	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-54.7	156.3	167.3	-63.5	-179.4	170.4	-152	-7.3	111.4	E867 N869 D870 S901 V903 Y917	E867-R915 WeakPolarHBondContact OE1-CD 3.34Å; E867-R915 IonicContact OE1-CZ 2.68Å; E867-R915 IonicContact OE1-NE 2.91Å; E867-R915 IonicContact OE1-NH1 3.76Å; E867-R915 PolarHBondContact OE1-NH1 3.01Å; N869-R915 HydrophobicContact CB-CB 3.99Å; D870-R915 IonicContact OD1-NH1 2.79Å; D870-R915 PolarHBondContact OD1-NH1 3.41Å; D870-R915 IonicContact OD2-NH1 2.68Å; D870-R915 PolarHBondContact OD2-NH1 2.95Å; S901-R915 CarbonylContact O-C 3.52Å; S901-R915 WeakPolarHBondContact O-CA 3.4Å; V903-R915 HydrophobicContact CB-CG 4.3Å; V903-R915 HydrophobicContact CG2-CG 3.99Å; R915-Y917 VanDerWaalsContact O-CD1 3.31Å; R915-Y917 WeakPolarHBondContact O-CD1 2.89Å; R915-Y917 PolarHBondContact O-N 3.42Å
916	L	90.3	Very high	83.6	Confident	22 Å²	22	81.6 Å²	81.6	12%	0.115	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-63.3	123.6	-176.3	-172.6	69.8	0	0	0	112.7	I868 N869 V898 S901	I868-L916 HydrophobicContact CD1-CD2 3.84Å; I868-L916 HydrophobicContact CD1-CG 3.97Å; I868-L916 HydrophobicContact CG1-CB 4.48Å; I868-L916 HydrophobicContact CG1-CD2 4.01Å; I868-L916 HydrophobicContact CG1-CG 3.86Å; I868-L916 PolarHBondContact N-O 2.81Å; N869-L916 HydrophobicContact CB-CB 4.32Å; N869-L916 PolarHBondContact N-O 3.26Å; N869-L916 VanDerWaalsContact N-O 3.16Å; V898-L916 HydrophobicContact CG1-CD1 3.77Å; S901-L916 PolarHBondContact O-N 3.13Å
917	Y	91.2	Very high	84.3	Confident	32 Å²	32	78 Å²	78	13%	0.125	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.3	178.8	67.9	-70.2	0	0	0	112.6	E865 L866 K899 R914 R915 C919	E865-Y917 HydrophobicContact CB-CD2 3.91Å; E865-Y917 HydrophobicContact CB-CE2 4.28Å; E865-Y917 HydrophobicContact CG-CD2 3.94Å; E865-Y917 HydrophobicContact CG-CE2 3.8Å; E865-Y917 WeakPolarHBondContact OE1-CE2 3.49Å; L866-Y917 CarbonylContact O-C 3.56Å; L866-Y917 WeakPolarHBondContact O-CA 3.43Å; L866-Y917 WeakPolarHBondContact O-CB 3.49Å; K899-Y917 HydrophobicContact CB-CD1 3.91Å; K899-Y917 HydrophobicContact CB-CD2 4.25Å; K899-Y917 HydrophobicContact CB-CE1 3.38Å; K899-Y917 HydrophobicContact CB-CE2 3.76Å; K899-Y917 HydrophobicContact CB-CG 4.33Å; K899-Y917 HydrophobicContact CD-CE2 4Å; K899-Y917 HydrophobicContact CG-CE2 4.47Å; K899-Y917 PolarHBondContact N-O 3.4Å; K899-Y917 WeakPolarHBondContact O-CD1 3.37Å; K899-Y917 PolarHBondContact O-N 2.78Å; K899-Y917 VanDerWaalsContact O-O 3.06Å; R914-Y917 HydrophobicContact CB-CE1 4.08Å; R914-Y917 PolarHBondContact NH1-OH 3.09Å; R915-Y917 VanDerWaalsContact O-CD1 3.31Å; R915-Y917 WeakPolarHBondContact O-CD1 2.89Å; R915-Y917 PolarHBondContact O-N 3.42Å; Y917-C919 HydrophobicContact CD2-CB 4.25Å; Y917-C919 HydrophobicContact CE2-CB 4.11Å
918	L	92.5	Very high	84.8	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.6	162.7	-58.5	178.3	0	0	0	108.2	E865 L866 I868 I879 T880 L885 V898 I935	E865-L918 CarbonylContact C-O 3.35Å; E865-L918 WeakPolarHBondContact CA-O 3.44Å; L866-L918 HydrophobicContact CB-CB 4.38Å; L866-L918 PolarHBondContact N-O 3.03Å; L866-L918 PolarHBondContact O-N 3.18Å; I868-L918 HydrophobicContact CD1-CD2 4.04Å; I868-L918 HydrophobicContact CD1-CG 3.99Å; I868-L918 HydrophobicContact CG1-CG 4.44Å; I868-L918 HydrophobicContact CG2-CD1 4.14Å; I868-L918 HydrophobicContact CG2-CG 4.09Å; I879-L918 HydrophobicContact CG1-CD1 3.91Å; T880-L918 HydrophobicContact CG2-CD2 4.46Å; L885-L918 HydrophobicContact CD2-CD2 4.39Å; V898-L918 HydrophobicContact CB-CD2 4.49Å; V898-L918 HydrophobicContact CG2-CD2 3.87Å; L918-I935 HydrophobicContact CD1-CD1 4.21Å
919	C	92.4	Very high	85.5	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.6	174.1	-179.3	0	0	0	0	108.4	I896 S897 K899 Y917	I896-C919 WeakPolarHBondContact CA-O 3.42Å; S897-C919 PolarHBondContact N-O 3.48Å; S897-C919 PolarHBondContact O-N 3.32Å; S897-C919 PolarHBondContact OG-O 2.72Å; K899-C919 HydrophobicContact CD-CB 3.73Å; K899-C919 PolarHBondContact NZ-SG 2.88Å; Y917-C919 HydrophobicContact CD2-CB 4.25Å; Y917-C919 HydrophobicContact CE2-CB 4.11Å
920	I	92.8	Very high	86.2	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.1	178	-49.7	179	0	0	0	107.9	E863 E864 L866 V894 G895 I896 I928 A931 I935	E863-I920 CarbonylContact C-O 3.55Å; E863-I920 VanDerWaalsContact CA-O 3.27Å; E863-I920 WeakPolarHBondContact CA-O 3.46Å; E864-I920 PolarHBondContact N-O 3.29Å; E864-I920 PolarHBondContact O-N 2.84Å; L866-I920 HydrophobicContact CD1-CD1 3.64Å; L866-I920 HydrophobicContact CD1-CG1 4.37Å; V894-I920 HydrophobicContact CB-CG2 3.94Å; V894-I920 HydrophobicContact CG1-CG2 4.07Å; V894-I920 HydrophobicContact CG2-CG2 4.12Å; G895-I920 CarbonylContact O-C 3.51Å; G895-I920 WeakPolarHBondContact O-CA 3.31Å; I896-I920 HydrophobicContact CG1-CG1 4.4Å; I896-I920 HydrophobicContact CG1-CG2 4.43Å; I920-I928 HydrophobicContact CG2-CG1 4.18Å; I920-I928 HydrophobicContact CG2-CG2 4.43Å; I920-A931 HydrophobicContact CD1-CB 4.08Å; I920-A931 HydrophobicContact CG2-CB 4.07Å; I920-I935 HydrophobicContact CD1-CD1 3.62Å; I920-I935 HydrophobicContact CG1-CD1 4.32Å
921	E	92.4	Very high	87	Confident	48 Å²	48	60.5 Å²	60.5	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.3	-176.2	-57.5	179	-162.4	0	0	108.8	R861 E863 G895 K899	R861-E921 IonicContact CZ-OE2 3.48Å; R861-E921 VanDerWaalsContact CZ-OE2 3.3Å; R861-E921 IonicContact NH1-OE2 3.05Å; R861-E921 PolarHBondContact NH1-OE2 3.19Å; R861-E921 IonicContact NH2-OE1 3.99Å; R861-E921 IonicContact NH2-OE2 3.71Å; R861-E921 PolarHBondContact NH2-OE2 2.87Å; E863-E921 HydrophobicContact CG-CG 4.38Å; G895-E921 PolarHBondContact N-O 3.27Å; G895-E921 PolarHBondContact O-N 2.83Å; K899-E921 IonicContact NZ-OE1 3.39Å; K899-E921 PolarHBondContact NZ-OE1 2.92Å
922	A	89.9	Confident	87.9	Confident	11 Å²	11	54.1 Å²	54.1	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164.3	-174.5	0	0	0	0	0	114.1	Y862 V894 I928	Y862-A922 PolarHBondContact N-O 2.88Å; Y862-A922 PolarHBondContact O-N 3.49Å; V894-A922 HydrophobicContact CG1-CB 3.9Å; A922-I928 HydrophobicContact CB-CD1 4.15Å; A922-I928 HydrophobicContact CB-CG1 3.59Å
923	T	86.7	Confident	88.7	Confident	113 Å²	113	53.2 Å²	53.2	69%	0.693	27%	0.271	S	S	*	.	S	Bend	trans	-90.5	-5.8	173.1	49.8	0	0	0	0	113.8
924	S	84.8	Confident	89.4	Confident	44 Å²	44	51.4 Å²	51.4	31%	0.308	26%	0.26	S	S	.	.			trans	-147.2	139.9	-179	-177	0	0	0	0	111	L926 S927 I928	S924-L926 PolarHBondContact O-N 2.83Å; S924-L926 PolarHBondContact OG-N 2.85Å; S924-S927 PolarHBondContact O-N 2.75Å; S924-I928 PolarHBondContact O-N 3.25Å
925	E	86.5	Confident	89.8	Confident	89 Å²	89	45 Å²	45	42%	0.416	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-29.3	173.8	-173.1	168.9	179.5	0	0	112.3	R758 Y862 S927 I928 G929	R758-E925 IonicContact CZ-OE1 2.74Å; R758-E925 IonicContact NH1-OE1 3.5Å; R758-E925 PolarHBondContact NH1-OE1 2.9Å; R758-E925 IonicContact NH2-OE1 3.8Å; Y862-E925 HydrophobicContact CD1-CB 4.01Å; Y862-E925 HydrophobicContact CE1-CB 3.96Å; E925-S927 VanDerWaalsContact C-N 3.32Å; E925-S927 PolarHBondContact O-N 2.98Å; E925-I928 PolarHBondContact O-N 3.43Å; E925-G929 PolarHBondContact O-N 2.83Å
926	L	84.8	Confident	89.9	Confident	130 Å²	130	42.3 Å²	42.3	68%	0.681	23%	0.23	S	C	*	.	H	α-helix	trans	-62.6	-37.6	174.6	-80.5	167.3	0	0	0	112.3	S924 G929 R930	S924-L926 PolarHBondContact O-N 2.83Å; S924-L926 PolarHBondContact OG-N 2.85Å; L926-G929 PolarHBondContact O-N 2.9Å; L926-R930 WeakPolarHBondContact O-CG 3.4Å; L926-R930 PolarHBondContact O-N 3.16Å
927	S	89.9	Confident	89.9	Confident	14 Å²	14	46.5 Å²	46.5	10%	0.098	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-39.8	176.1	-57.2	0	0	0	0	111.4	A892 V894 S924 E925 G929 R930 A931	A892-S927 WeakPolarHBondContact O-CB 3.21Å; V894-S927 WeakPolarHBondContact CG1-O 3.47Å; S924-S927 PolarHBondContact O-N 2.75Å; E925-S927 VanDerWaalsContact C-N 3.32Å; E925-S927 PolarHBondContact O-N 2.98Å; S927-G929 VanDerWaalsContact C-N 3.35Å; S927-R930 PolarHBondContact O-N 2.71Å; S927-A931 WeakPolarHBondContact O-CB 3.32Å; S927-A931 PolarHBondContact O-N 2.87Å
928	I	89.8	Confident	89.9	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-40.7	171.5	-58.1	-163.3	0	0	0	110.9	E864 I920 A922 S924 E925 R930 A931 R932	E864-I928 HydrophobicContact CB-CD1 4.36Å; E864-I928 HydrophobicContact CB-CG2 3.75Å; E864-I928 HydrophobicContact CG-CG2 4.47Å; E864-I928 WeakPolarHBondContact OE2-CG2 3.13Å; I920-I928 HydrophobicContact CG2-CG1 4.18Å; I920-I928 HydrophobicContact CG2-CG2 4.43Å; A922-I928 HydrophobicContact CB-CD1 4.15Å; A922-I928 HydrophobicContact CB-CG1 3.59Å; S924-I928 PolarHBondContact O-N 3.25Å; E925-I928 PolarHBondContact O-N 3.43Å; I928-R930 PolarHBondContact O-N 2.85Å; I928-A931 PolarHBondContact O-N 3.03Å; I928-R932 VanDerWaalsContact O-CB 3.25Å; I928-R932 WeakPolarHBondContact O-CB 3.41Å; I928-R932 PolarHBondContact O-N 3.15Å
929	G	87.5	Confident	89.8	Confident	32 Å²	32	45.4 Å²	45.4	33%	0.33	24%	0.24	S	C	.	.	H	α-helix	trans	-56.5	-47.5	175	0	0	0	0	0	112.5	E925 L926 S927 R932 A933	E925-G929 PolarHBondContact O-N 2.83Å; L926-G929 PolarHBondContact O-N 2.9Å; S927-G929 VanDerWaalsContact C-N 3.35Å; G929-R932 PolarHBondContact O-N 2.73Å; G929-A933 WeakPolarHBondContact O-CB 3.32Å; G929-A933 PolarHBondContact O-N 2.94Å
930	R	89.9	Confident	89.5	Confident	139 Å²	139	47 Å²	47	53%	0.525	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-48	174.2	-70.9	175.4	-179	-179.9	0.8	112.2	A892 L926 S927 I928 R932 A933 E934	A892-R930 HydrophobicContact CB-CB 3.83Å; L926-R930 WeakPolarHBondContact O-CG 3.4Å; L926-R930 PolarHBondContact O-N 3.16Å; S927-R930 PolarHBondContact O-N 2.71Å; I928-R930 PolarHBondContact O-N 2.85Å; R930-R932 PolarHBondContact O-N 3.05Å; R930-A933 PolarHBondContact O-N 3.22Å; R930-E934 PolarHBondContact O-N 3.1Å
931	A	92	Very high	89.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-42.6	179.7	0	0	0	0	0	112.3	I888 A892 V894 I920 S927 I928 E934 I935	I888-A931 HydrophobicContact CG2-CB 4.35Å; A892-A931 HydrophobicContact CB-CB 3.76Å; V894-A931 HydrophobicContact CB-CB 4.43Å; V894-A931 HydrophobicContact CG1-CB 4.04Å; V894-A931 HydrophobicContact CG2-CB 3.64Å; I920-A931 HydrophobicContact CD1-CB 4.08Å; I920-A931 HydrophobicContact CG2-CB 4.07Å; S927-A931 WeakPolarHBondContact O-CB 3.32Å; S927-A931 PolarHBondContact O-N 2.87Å; I928-A931 PolarHBondContact O-N 3.03Å; A931-E934 PolarHBondContact O-N 3.11Å; A931-I935 WeakPolarHBondContact O-CB 3.48Å; A931-I935 WeakPolarHBondContact O-CD1 3.49Å; A931-I935 VanDerWaalsContact O-CG1 3.25Å; A931-I935 WeakPolarHBondContact O-CG1 3.25Å; A931-I935 PolarHBondContact O-N 3.46Å
932	R	91.2	Very high	89	Confident	75 Å²	75	49.4 Å²	49.4	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-44.6	175.4	-179.7	-176.5	172.5	126.3	-4	111.4	S756 E864 I928 G929 R930 I935 V936	S756-R932 PolarHBondContact OG-NH1 3.21Å; E864-R932 WeakPolarHBondContact OE1-CD 3.31Å; E864-R932 IonicContact OE1-CZ 3.32Å; E864-R932 IonicContact OE1-NE 3.72Å; E864-R932 IonicContact OE1-NH1 3.28Å; E864-R932 PolarHBondContact OE1-NH1 3.42Å; E864-R932 IonicContact OE2-NH1 2.76Å; I928-R932 VanDerWaalsContact O-CB 3.25Å; I928-R932 WeakPolarHBondContact O-CB 3.41Å; I928-R932 PolarHBondContact O-N 3.15Å; G929-R932 PolarHBondContact O-N 2.73Å; R930-R932 PolarHBondContact O-N 3.05Å; R932-I935 PolarHBondContact O-N 3.49Å; R932-V936 VanDerWaalsContact O-CG2 3.32Å; R932-V936 WeakPolarHBondContact O-CG2 3.38Å; R932-V936 PolarHBondContact O-N 3.44Å
933	A	89.5	Confident	88.8	Confident	62 Å²	62	49.4 Å²	49.4	51%	0.512	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-43.2	177.6	0	0	0	0	0	111.9	G929 R930 V936 R937	G929-A933 WeakPolarHBondContact O-CB 3.32Å; G929-A933 PolarHBondContact O-N 2.94Å; R930-A933 PolarHBondContact O-N 3.22Å; A933-V936 WeakPolarHBondContact O-CB 3.44Å; A933-V936 PolarHBondContact O-N 2.91Å; A933-R937 PolarHBondContact O-N 3.09Å
934	E	91.8	Very high	88.6	Confident	36 Å²	36	48 Å²	48	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-72.5	-35.4	179.2	-171.3	62.3	-169.5	0	0	112.5	I888 Y891 R930 A931 R937 V938	I888-E934 HydrophobicContact CG1-CG 3.87Å; I888-E934 HydrophobicContact CG2-CB 4.36Å; I888-E934 HydrophobicContact CG2-CG 4.47Å; Y891-E934 HydrophobicContact CD1-CB 4.02Å; Y891-E934 HydrophobicContact CD1-CG 3.96Å; Y891-E934 HydrophobicContact CE1-CB 4.09Å; Y891-E934 HydrophobicContact CE1-CG 4.28Å; R930-E934 PolarHBondContact O-N 3.1Å; A931-E934 PolarHBondContact O-N 3.11Å; E934-R937 WeakPolarHBondContact O-CB 3.27Å; E934-R937 PolarHBondContact O-N 3.27Å; E934-R937 IonicContact OE1-CZ 2.61Å; E934-R937 IonicContact OE1-NE 4Å; E934-R937 PolarHBondContact OE1-NE 3.5Å; E934-R937 IonicContact OE1-NH2 2.74Å; E934-R937 PolarHBondContact OE1-NH2 3.36Å; E934-R937 WeakPolarHBondContact OE2-CD 3.3Å; E934-R937 IonicContact OE2-CZ 2.69Å; E934-R937 IonicContact OE2-NE 3.06Å; E934-R937 PolarHBondContact OE2-NE 2.94Å; E934-V938 WeakPolarHBondContact O-CG2 3.27Å; E934-V938 PolarHBondContact O-N 2.88Å
935	I	92.1	Very high	88.6	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-47.6	168.3	-73.8	164.4	0	0	0	110.4	M754 L866 I879 I888 I896 L918 I920 A931 R932 R937 V938 L939	M754-I935 HydrophobicContact CE-CG2 4.42Å; L866-I935 HydrophobicContact CD1-CD1 4.41Å; I879-I935 HydrophobicContact CD1-CB 4.42Å; I879-I935 HydrophobicContact CD1-CG1 4.34Å; I879-I935 HydrophobicContact CD1-CG2 4.11Å; I879-I935 HydrophobicContact CG1-CG2 4.28Å; I888-I935 HydrophobicContact CD1-CG1 3.89Å; I888-I935 HydrophobicContact CG2-CG1 4.31Å; I896-I935 HydrophobicContact CD1-CD1 4.49Å; L918-I935 HydrophobicContact CD1-CD1 4.21Å; I920-I935 HydrophobicContact CD1-CD1 3.62Å; I920-I935 HydrophobicContact CG1-CD1 4.32Å; A931-I935 WeakPolarHBondContact O-CB 3.48Å; A931-I935 WeakPolarHBondContact O-CD1 3.49Å; A931-I935 VanDerWaalsContact O-CG1 3.25Å; A931-I935 WeakPolarHBondContact O-CG1 3.25Å; A931-I935 PolarHBondContact O-N 3.46Å; R932-I935 PolarHBondContact O-N 3.49Å; I935-R937 VanDerWaalsContact C-N 3.31Å; I935-R937 PolarHBondContact O-N 3.29Å; I935-V938 PolarHBondContact O-N 2.99Å; I935-L939 HydrophobicContact CG2-CD1 3.93Å; I935-L939 HydrophobicContact CG2-CG 4.37Å; I935-L939 VanDerWaalsContact O-CG 3.26Å; I935-L939 WeakPolarHBondContact O-CG 3.25Å; I935-L939 PolarHBondContact O-N 2.72Å
936	V	90.1	Very high	88.3	Confident	34 Å²	34	47.1 Å²	47.1	21%	0.206	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-41.1	175.1	169.1	0	0	0	0	111.3	M754 R932 A933 V938 L939 K940	M754-V936 HydrophobicContact CE-CG2 3.82Å; M754-V936 HydrophobicContact SD-CG2 3.66Å; R932-V936 VanDerWaalsContact O-CG2 3.32Å; R932-V936 WeakPolarHBondContact O-CG2 3.38Å; R932-V936 PolarHBondContact O-N 3.44Å; A933-V936 WeakPolarHBondContact O-CB 3.44Å; A933-V936 PolarHBondContact O-N 2.91Å; V936-V938 PolarHBondContact O-N 2.75Å; V936-L939 PolarHBondContact O-N 3.4Å; V936-K940 HydrophobicContact CG1-CD 4.45Å; V936-K940 HydrophobicContact CG1-CG 4.43Å; V936-K940 WeakPolarHBondContact O-CG 3.01Å; V936-K940 PolarHBondContact O-N 3.32Å
937	R	90.2	Very high	87.9	Confident	109 Å²	109	43.9 Å²	43.9	41%	0.411	22%	0.221	S	C	.	.	H	α-helix	trans	-58.9	-46.7	176.9	-163.8	-167.4	66.5	67.2	0.4	111.6	A933 E934 I935 K940 E941	A933-R937 PolarHBondContact O-N 3.09Å; E934-R937 WeakPolarHBondContact O-CB 3.27Å; E934-R937 PolarHBondContact O-N 3.27Å; E934-R937 IonicContact OE1-CZ 2.61Å; E934-R937 IonicContact OE1-NE 4Å; E934-R937 PolarHBondContact OE1-NE 3.5Å; E934-R937 IonicContact OE1-NH2 2.74Å; E934-R937 PolarHBondContact OE1-NH2 3.36Å; E934-R937 WeakPolarHBondContact OE2-CD 3.3Å; E934-R937 IonicContact OE2-CZ 2.69Å; E934-R937 IonicContact OE2-NE 3.06Å; E934-R937 PolarHBondContact OE2-NE 2.94Å; I935-R937 VanDerWaalsContact C-N 3.31Å; I935-R937 PolarHBondContact O-N 3.29Å; R937-K940 PolarHBondContact O-N 2.79Å; R937-E941 IonicContact CZ-OE2 3.54Å; R937-E941 IonicContact NH1-OE2 3.57Å; R937-E941 PolarHBondContact NH1-OE2 2.78Å; R937-E941 WeakPolarHBondContact O-CB 3.16Å; R937-E941 PolarHBondContact O-N 3.29Å
938	V	91	Very high	87	Confident	9 Å²	9	46 Å²	46	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-37.2	177.5	176.5	0	0	0	0	111.8	R878 I879 T884 E934 I935 V936 E941 E942	R878-V938 HydrophobicContact CG-CG1 4.25Å; I879-V938 HydrophobicContact CD1-CB 3.86Å; I879-V938 HydrophobicContact CD1-CG1 3.77Å; T884-V938 HydrophobicContact CG2-CG1 4Å; T884-V938 HydrophobicContact CG2-CG2 4.27Å; E934-V938 WeakPolarHBondContact O-CG2 3.27Å; E934-V938 PolarHBondContact O-N 2.88Å; I935-V938 PolarHBondContact O-N 2.99Å; V936-V938 PolarHBondContact O-N 2.75Å; V938-E941 PolarHBondContact O-N 2.84Å; V938-E942 PolarHBondContact O-N 3.49Å
939	L	89.9	Confident	86.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-45.3	173.9	-67.5	172.6	0	0	0	111.8	I750 M754 F871 V875 I879 I935 V936 E941 L943	I750-L939 HydrophobicContact CD1-CB 4.21Å; M754-L939 HydrophobicContact CE-CD1 4.18Å; M754-L939 HydrophobicContact CG-CD1 4.26Å; M754-L939 HydrophobicContact SD-CD1 3.69Å; F871-L939 HydrophobicContact CD1-CD2 4.24Å; F871-L939 HydrophobicContact CE1-CD1 4.3Å; F871-L939 HydrophobicContact CE1-CD2 4.1Å; F871-L939 HydrophobicContact CZ-CD1 3.99Å; F871-L939 HydrophobicContact CZ-CD2 4.42Å; V875-L939 HydrophobicContact CG1-CD2 3.32Å; I879-L939 HydrophobicContact CB-CD2 4.4Å; I879-L939 HydrophobicContact CG1-CD2 4.42Å; I879-L939 HydrophobicContact CG2-CD2 4.5Å; I935-L939 HydrophobicContact CG2-CD1 3.93Å; I935-L939 HydrophobicContact CG2-CG 4.37Å; I935-L939 VanDerWaalsContact O-CG 3.26Å; I935-L939 WeakPolarHBondContact O-CG 3.25Å; I935-L939 PolarHBondContact O-N 2.72Å; V936-L939 PolarHBondContact O-N 3.4Å; L939-E941 PolarHBondContact O-N 3.24Å; L939-L943 WeakPolarHBondContact O-CB 3.39Å; L939-L943 WeakPolarHBondContact O-CG 3.46Å; L939-L943 PolarHBondContact O-N 2.84Å
940	K	86.8	Confident	84.8	Confident	36 Å²	36	52.8 Å²	52.8	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-56.4	-47.8	172.4	-77.7	177.1	177.1	-102.1	0	111.1	E743 I746 D747 I750 V936 R937 R944	E743-K940 IonicContact OE2-NZ 3.72Å; E743-K940 PolarHBondContact OE2-NZ 3.29Å; I746-K940 HydrophobicContact CG2-CG 4.37Å; D747-K940 WeakPolarHBondContact OD1-CE 3.32Å; D747-K940 IonicContact OD1-NZ 2.73Å; D747-K940 PolarHBondContact OD1-NZ 2.8Å; D747-K940 WeakPolarHBondContact OD2-CE 3.28Å; D747-K940 IonicContact OD2-NZ 3.29Å; D747-K940 PolarHBondContact OD2-NZ 3.04Å; I750-K940 HydrophobicContact CD1-CB 4.22Å; I750-K940 HydrophobicContact CD1-CG 3.55Å; V936-K940 HydrophobicContact CG1-CD 4.45Å; V936-K940 HydrophobicContact CG1-CG 4.43Å; V936-K940 WeakPolarHBondContact O-CG 3.01Å; V936-K940 PolarHBondContact O-N 3.32Å; R937-K940 PolarHBondContact O-N 2.79Å; K940-R944 VanDerWaalsContact O-CG 3.31Å; K940-R944 WeakPolarHBondContact O-CG 3.44Å; K940-R944 PolarHBondContact O-N 2.75Å; K940-R944 VanDerWaalsContact O-N 3.13Å
941	E	88.1	Confident	83.1	Confident	68 Å²	68	48.6 Å²	48.6	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-45.1	-176.2	-162.1	-164.6	115	0	0	111.9	R937 V938 L939 R944 K945	R937-E941 IonicContact CZ-OE2 3.54Å; R937-E941 IonicContact NH1-OE2 3.57Å; R937-E941 PolarHBondContact NH1-OE2 2.78Å; R937-E941 WeakPolarHBondContact O-CB 3.16Å; R937-E941 PolarHBondContact O-N 3.29Å; V938-E941 PolarHBondContact O-N 2.84Å; L939-E941 PolarHBondContact O-N 3.24Å; E941-R944 PolarHBondContact O-N 3.1Å; E941-K945 WeakPolarHBondContact O-CG 3.47Å; E941-K945 PolarHBondContact O-N 2.81Å; E941-K945 WeakPolarHBondContact OE1-CE 3.09Å; E941-K945 IonicContact OE1-NZ 4Å; E941-K945 PolarHBondContact OE1-NZ 2.84Å
942	E	86.6	Confident	81.1	Confident	29 Å²	29	51.2 Å²	51.2	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-78.1	-30	-177.3	-150.5	67.9	-167	0	0	112.8	V875 R878 V938 K945 L946	V875-E942 HydrophobicContact CG2-CB 4.23Å; V875-E942 HydrophobicContact CG2-CG 4.31Å; R878-E942 HydrophobicContact CB-CG 3.97Å; R878-E942 HydrophobicContact CG-CG 4.17Å; V938-E942 PolarHBondContact O-N 3.49Å; E942-K945 PolarHBondContact O-N 3.21Å; E942-K945 WeakPolarHBondContact OE2-CD 3.47Å; E942-K945 IonicContact OE2-NZ 2.76Å; E942-K945 PolarHBondContact OE2-NZ 2.59Å; E942-L946 PolarHBondContact O-N 2.92Å; E942-L946 VanDerWaalsContact O-N 3.1Å
943	L	86.3	Confident	79.2	Confident	11 Å²	11	53.9 Å²	53.9	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-38.1	170.9	-76.8	169.1	0	0	0	112.1	I746 I750 F871 P872 V875 L939 K945 L946 A947	I746-L943 HydrophobicContact CG2-CB 4.39Å; I746-L943 HydrophobicContact CG2-CD1 4.35Å; I750-L943 HydrophobicContact CD1-CD1 3.96Å; I750-L943 HydrophobicContact CG1-CD1 3.58Å; F871-L943 HydrophobicContact CE1-CD1 4.29Å; P872-L943 HydrophobicContact CG-CD2 4.19Å; V875-L943 HydrophobicContact CG2-CD2 3.95Å; V875-L943 HydrophobicContact CG2-CG 4.14Å; L939-L943 WeakPolarHBondContact O-CB 3.39Å; L939-L943 WeakPolarHBondContact O-CG 3.46Å; L939-L943 PolarHBondContact O-N 2.84Å; L943-K945 VanDerWaalsContact C-N 3.34Å; L943-K945 PolarHBondContact O-N 3.43Å; L943-L946 PolarHBondContact O-N 3.31Å; L943-A947 PolarHBondContact O-N 2.93Å
944	R	82.4	Confident	77.1	Confident	84 Å²	84	57.8 Å²	57.8	32%	0.317	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-40.1	173.4	-70.6	170.9	-153.6	-152.3	1.6	112.2	E743 I746 K940 E941 A947 S948	E743-R944 IonicContact OE1-CZ 3.21Å; E743-R944 IonicContact OE1-NH1 2.92Å; E743-R944 PolarHBondContact OE1-NH1 3.39Å; E743-R944 IonicContact OE1-NH2 2.65Å; E743-R944 PolarHBondContact OE1-NH2 2.95Å; E743-R944 IonicContact OE2-CZ 3.2Å; E743-R944 IonicContact OE2-NH1 2.69Å; E743-R944 IonicContact OE2-NH2 3.78Å; E743-R944 PolarHBondContact OE2-NH2 3.18Å; I746-R944 HydrophobicContact CD1-CG 3.56Å; K940-R944 VanDerWaalsContact O-CG 3.31Å; K940-R944 WeakPolarHBondContact O-CG 3.44Å; K940-R944 PolarHBondContact O-N 2.75Å; K940-R944 VanDerWaalsContact O-N 3.13Å; E941-R944 PolarHBondContact O-N 3.1Å; R944-A947 PolarHBondContact O-N 3.11Å; R944-S948 PolarHBondContact O-N 3.1Å; R944-S948 VanDerWaalsContact O-N 3.14Å
945	K	83.5	Confident	74.7	Confident	73 Å²	73	63.3 Å²	63.3	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-40.2	175.4	-64.4	170.1	-156.4	163.5	0	112.1	E941 E942 L943 S948 M949	E941-K945 WeakPolarHBondContact O-CG 3.47Å; E941-K945 PolarHBondContact O-N 2.81Å; E941-K945 WeakPolarHBondContact OE1-CE 3.09Å; E941-K945 IonicContact OE1-NZ 4Å; E941-K945 PolarHBondContact OE1-NZ 2.84Å; E942-K945 PolarHBondContact O-N 3.21Å; E942-K945 WeakPolarHBondContact OE2-CD 3.47Å; E942-K945 IonicContact OE2-NZ 2.76Å; E942-K945 PolarHBondContact OE2-NZ 2.59Å; L943-K945 VanDerWaalsContact C-N 3.34Å; L943-K945 PolarHBondContact O-N 3.43Å; K945-S948 PolarHBondContact O-N 3.07Å; K945-S948 PolarHBondContact O-OG 3.09Å; K945-M949 WeakPolarHBondContact O-CG 3.44Å; K945-M949 PolarHBondContact O-N 2.98Å
946	L	80.9	Confident	72.5	Confident	42 Å²	42	68.4 Å²	68.4	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-42	174.1	-89.7	171	0	0	0	112.7	P872 Q874 V875 E942 L943 S948 M949 S950	P872-L946 HydrophobicContact CB-CD1 3.56Å; P872-L946 HydrophobicContact CG-CD1 3.94Å; Q874-L946 HydrophobicContact CG-CD2 4.48Å; V875-L946 HydrophobicContact CG2-CD1 3.55Å; E942-L946 PolarHBondContact O-N 2.92Å; E942-L946 VanDerWaalsContact O-N 3.1Å; L943-L946 PolarHBondContact O-N 3.31Å; L946-S948 PolarHBondContact O-N 3.34Å; L946-M949 PolarHBondContact O-N 3.37Å; L946-S950 PolarHBondContact O-N 2.88Å
947	A	76.2	Confident	70.5	Confident	61 Å²	61	74.6 Å²	74.6	50%	0.504	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-42.1	177.9	0	0	0	0	0	112.2	L943 R944 S951	L943-A947 PolarHBondContact O-N 2.93Å; R944-A947 PolarHBondContact O-N 3.11Å; A947-S951 PolarHBondContact O-OG 3.03Å
948	S	72.1	Confident	68.3	Low	60 Å²	60	73.4 Å²	73.4	42%	0.42	39%	0.393	S	S	.	.	H	α-helix	trans	-71	-34.3	176.7	66.7	0	0	0	0	113.2	R944 K945 L946 S951 A952	R944-S948 PolarHBondContact O-N 3.1Å; R944-S948 VanDerWaalsContact O-N 3.14Å; K945-S948 PolarHBondContact O-N 3.07Å; K945-S948 PolarHBondContact O-OG 3.09Å; L946-S948 PolarHBondContact O-N 3.34Å; S948-S951 PolarHBondContact O-OG 2.61Å; S948-S951 VanDerWaalsContact O-OG 3.11Å; S948-A952 PolarHBondContact O-N 3.42Å
949	M	69.5	Low	66.1	Low	104 Å²	104	79.5 Å²	79.5	51%	0.512	42%	0.419	S	S	.	.	H	α-helix	trans	-69.4	-36.9	174.8	-74.6	-168	178.7	0	0	113.5	K945 L946 A952 Q953	K945-M949 WeakPolarHBondContact O-CG 3.44Å; K945-M949 PolarHBondContact O-N 2.98Å; L946-M949 PolarHBondContact O-N 3.37Å; M949-A952 PolarHBondContact O-N 3.39Å; M949-Q953 PolarHBondContact O-N 3Å; M949-Q953 VanDerWaalsContact O-N 3.12Å
950	S	61.7	Low	63.6	Low	75 Å²	75	88.7 Å²	88.7	52%	0.524	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-45.2	-178.2	-169.4	0	0	0	0	112.1	L946 A952 Q953 M954	L946-S950 PolarHBondContact O-N 2.88Å; S950-A952 PolarHBondContact O-N 3.41Å; S950-Q953 PolarHBondContact O-N 2.85Å; S950-M954 PolarHBondContact O-N 3.11Å; S950-M954 VanDerWaalsContact O-N 3.14Å
951	S	52.9	Low	61.3	Low	51 Å²	51	97.9 Å²	97.9	36%	0.357	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-37.1	177.9	50.7	0	0	0	0	112.5	A947 S948 Q953 M954 Y955	A947-S951 PolarHBondContact O-OG 3.03Å; S948-S951 PolarHBondContact O-OG 2.61Å; S948-S951 VanDerWaalsContact O-OG 3.11Å; S951-Q953 PolarHBondContact O-N 3.2Å; S951-M954 PolarHBondContact O-N 3.45Å; S951-Y955 PolarHBondContact O-N 3.49Å
952	A	50.9	Low	58.8	Low	54 Å²	54	101.5 Å²	101.5	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-36.9	172.9	0	0	0	0	0	113.1	S948 M949 S950 N956	S948-A952 PolarHBondContact O-N 3.42Å; M949-A952 PolarHBondContact O-N 3.39Å; S950-A952 PolarHBondContact O-N 3.41Å; A952-N956 PolarHBondContact O-N 3.31Å
953	Q	50.7	Low	56.5	Low	131 Å²	131	109.4 Å²	109.4	61%	0.612	57%	0.565	S	S	*	*	H	α-helix	trans	-73.2	-32.6	177.7	-70.9	-168.8	4	0	0	113.5	M949 S950 S951 K957	M949-Q953 PolarHBondContact O-N 3Å; M949-Q953 VanDerWaalsContact O-N 3.12Å; S950-Q953 PolarHBondContact O-N 2.85Å; S951-Q953 PolarHBondContact O-N 3.2Å; Q953-K957 PolarHBondContact O-N 3.01Å
954	M	46.2	Very low	55	Low	144 Å²	144	114.4 Å²	114.4	71%	0.709	59%	0.59	S	S	*	*	H	α-helix	trans	-63.9	-44.4	171.7	-89.6	-178.6	151.3	0	0	111.8	S950 S951 N956 K957 A958	S950-M954 PolarHBondContact O-N 3.11Å; S950-M954 VanDerWaalsContact O-N 3.14Å; S951-M954 PolarHBondContact O-N 3.45Å; M954-N956 VanDerWaalsContact C-N 3.29Å; M954-N956 PolarHBondContact O-N 2.94Å; M954-K957 PolarHBondContact O-N 3.19Å; M954-K957 VanDerWaalsContact O-N 3.11Å; M954-A958 PolarHBondContact O-N 2.69Å
955	Y	41.5	Very low	53.6	Low	153 Å²	153	115.9 Å²	115.9	60%	0.6	60%	0.604	S	S	*	*	H	α-helix	trans	-56	-41.9	178.2	-169	-98.8	0	0	0	112.6	S951	S951-Y955 PolarHBondContact O-N 3.49Å
956	N	46	Very low	51.9	Low	108 Å²	108	118.3 Å²	118.3	58%	0.578	62%	0.62	S	S	*	*	H	α-helix	trans	-73.4	-27.5	178.6	-72.4	-26.7	0	0	0	114	A952 M954	A952-N956 PolarHBondContact O-N 3.31Å; M954-N956 VanDerWaalsContact C-N 3.29Å; M954-N956 PolarHBondContact O-N 2.94Å
957	K	46.7	Very low	50.2	Low	164 Å²	164	122.8 Å²	122.8	71%	0.713	64%	0.644	S	S	*	*	H	α-helix	trans	-81.9	-30.9	174.7	-78.8	-179.5	175.7	173	0	113.3	Q953 M954 K959	Q953-K957 PolarHBondContact O-N 3.01Å; M954-K957 PolarHBondContact O-N 3.19Å; M954-K957 VanDerWaalsContact O-N 3.11Å; K957-K959 PolarHBondContact O-N 2.64Å
958	A	44	Very low	48.6	Very low	84 Å²	84	126.7 Å²	126.7	69%	0.694	65%	0.653	S	S	*	*	H	α-helix	trans	-66.6	-26.3	176.8	0	0	0	0	0	112.8	M954 Y960	M954-A958 PolarHBondContact O-N 2.69Å; A958-Y960 VanDerWaalsContact C-N 3.33Å; A958-Y960 PolarHBondContact O-N 3.05Å
959	K	44.4	Very low	47	Very low	137 Å²	137	131.1 Å²	131.1	60%	0.596	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-8.9	-175.1	-136.9	167.8	-174	171.2	0	115.2	K957	K957-K959 PolarHBondContact O-N 2.64Å
960	Y	38.3	Very low	45.4	Very low	194 Å²	194	133.1 Å²	133.1	76%	0.761	68%	0.679	S	S	*	*			trans	-136.7	77.4	-177.5	-66.2	-80.1	0	0	0	112.1	A958	A958-Y960 VanDerWaalsContact C-N 3.33Å; A958-Y960 PolarHBondContact O-N 3.05Å
961	R	38.7	Very low	44.2	Very low	229 Å²	229	137.5 Å²	137.5	86%	0.864	69%	0.691	S	S	*	*			trans	-135.5	84.8	166.2	-163.9	175.7	-169.5	-179.9	2.4	111
962	V	35.6	Very low	43.5	Very low	143 Å²	143	144.8 Å²	144.8	87%	0.867	72%	0.719	S	S	*	*			trans	-80.7	123.2	173.1	-177.9	0	0	0	0	109.3
963	V	38.6	Very low	42.8	Very low	196 Å²	196	153 Å²	153	100%	1.188	74%	0.744	S	S	*	*			trans	-142.3	0	159.1	-178.8	0	0	0	0	106.4

Retrieved 963 of 963 residues in 241.8 ms (Link to these results)

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