RTF1_HUMAN Loading...

RNA polymerase-associated protein RTF1 homolog

Component of the PAF1 complex (PAF1C) which has multiple functions during transcription by RNA polymerase II and is implicated in regulation of development and maintenance of embryonic stem cell pluripotency. PAF1C associates with RNA polymerase II through interaction with POLR2A CTD non-phosphorylated and 'Ser-2'- and 'Ser-5'-phosphorylated forms and is involved in transcriptional elongation, acting both independently and synergistically with TCEA1 and in cooperation with the DSIF complex and HTATSF1. PAF1C is required for transcription of Hox and Wnt target genes. PAF1C is involved in hematopoiesis and stimulates transcriptional activity of KMT2A/MLL1; it promotes leukemogenesis through association with KMT2A/MLL1-rearranged oncoproteins, such as KMT2A/MLL1-MLLT3/AF9 and KMT2A/MLL1-MLLT1/ENL. PAF1C is involved in histone modifications such as ubiquitination of histone H2B and methylation on histone H3 'Lys-4' (H3K4me3). PAF1C recruits the RNF20/40 E3 ubiquitin-protein ligase complex and the E2 enzyme UBE2A or UBE2B to chromatin which mediate monoubiquitination of 'Lys-120' of histone H2B (H2BK120ub1); UB2A/B-mediated H2B ubiquitination is proposed to be coupled to transcription. PAF1C is involved in mRNA 3' end formation probably through association with cleavage and poly(A) factors. In case of infection by influenza A strain H3N2, PAF1C associates with viral NS1 protein, thereby regulating gene transcription. Binds single-stranded DNA. Required for maximal induction of heat-shock genes. Required for the trimethylation of histone H3 'Lys-4' (H3K4me3) on genes involved in stem cell pluripotency; this function is synergistic with CXXC1 indicative for an involvement of a SET1 complex (By similarity).

AlphaFold DB , UniProt , Accession Q92541, Species HUMAN (Homo sapiens, Human), Gene RTF1, Length 710 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.5	Very low	46.4	Very low	252 Å²	252	162.4 Å²	162.4	100%	1.241	90%	0.898	S	S	*	*				0	171.3	0	-73.2	173.1	169.1	0	0	109.2
2	R	38.6	Very low	46.3	Very low	252 Å²	252	156.8 Å²	156.8	95%	0.951	89%	0.889	S	S	*	*			trans	-113.9	139.9	-163.6	-70.4	175.6	169.5	171.1	-5.2	114.5
3	G	53.1	Low	46.2	Very low	72 Å²	72	152.2 Å²	152.2	74%	0.742	88%	0.882	S	S	*	*			trans	-161.8	123	150.5	0	0	0	0	0	107.7
4	R	45.8	Very low	45.7	Very low	243 Å²	243	148.9 Å²	148.9	92%	0.917	88%	0.881	S	S	*	*			cis	82.3	106.9	45.9	-79.2	-162.4	169.6	-150.6	0.9	114.3
5	L	52.1	Low	45.7	Very low	162 Å²	162	146.1 Å²	146.1	85%	0.848	88%	0.882	S	S	*	*			trans	-175.4	111.1	134.6	-93.3	148	0	0	0	107.1
6	C	49.6	Very low	45.4	Very low	110 Å²	110	143.4 Å²	143.4	74%	0.743	88%	0.88	S	S	*	*				71.4	96.8	107.1	-72	0	0	0	0	114.3
7	V	44.1	Very low	45.9	Very low	152 Å²	152	143.1 Å²	143.1	92%	0.921	88%	0.878	S	S	*	*				86.1	118.1	68.4	169.2	0	0	0	0	113.2
8	G	52.3	Low	45.7	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	87%	0.871	S	S	*	*			trans	-176.9	121.3	168.7	0	0	0	0	0	111.7
9	R	39.3	Very low	46.5	Very low	252 Å²	252	140.1 Å²	140.1	95%	0.951	87%	0.869	S	S	*	*			trans	-126.7	134.1	179.2	-96.9	177.2	60.3	176.8	-1.9	110
10	A	47.1	Very low	46.7	Very low	107 Å²	107	138.6 Å²	138.6	88%	0.884	86%	0.861	S	S	*	*			trans	-158.6	151.4	155.5	0	0	0	0	0	109.7
11	A	39.1	Very low	46.9	Very low	107 Å²	107	140.7 Å²	140.7	88%	0.884	87%	0.866	S	S	*	*			trans	-157.4	138.4	176	0	0	0	0	0	111.5
12	A	45.5	Very low	46.7	Very low	95 Å²	95	133.6 Å²	133.6	79%	0.785	85%	0.847	S	S	*	*			trans	-160.8	123.7	167.8	0	0	0	0	0	107.3
13	A	44	Very low	46.9	Very low	97 Å²	97	125.4 Å²	125.4	80%	0.802	84%	0.841	S	S	*	*				62.2	100.4	97.2	0	0	0	0	0	112.7
14	A	39.9	Very low	46.6	Very low	106 Å²	106	125.5 Å²	125.5	88%	0.876	84%	0.842	S	S	*	*				86.3	108.9	51.9	0	0	0	0	0	114.1
15	A	46	Very low	46.6	Very low	107 Å²	107	122.2 Å²	122.2	88%	0.884	84%	0.837	S	S	*	*			trans	-153.9	130.7	160.9	0	0	0	0	0	108.9
16	A	41.2	Very low	46.2	Very low	103 Å²	103	122.7 Å²	122.7	85%	0.851	84%	0.835	S	S	*	*			trans	-142.9	137.5	172.5	0	0	0	0	0	108.5
17	V	53.3	Low	45.9	Very low	139 Å²	139	121.1 Å²	121.1	84%	0.842	84%	0.837	S	S	*	*			trans	-134.3	124.2	179	179.9	0	0	0	0	108.7	V19	V17-V19 HydrophobicContact CG1-CG2 4.41Å
18	A	41.2	Very low	45.7	Very low	93 Å²	93	119.6 Å²	119.6	77%	0.769	83%	0.833	S	S	*	*			trans	-136.5	139.6	170.8	0	0	0	0	0	108.3
19	V	61.1	Low	45.9	Very low	135 Å²	135	122 Å²	122	82%	0.818	84%	0.835	S	S	*	*			trans	-137.8	111.6	-179.7	180	0	0	0	0	109.6	V17	V17-V19 HydrophobicContact CG1-CG2 4.41Å
20	P	51.1	Low	46	Very low	111 Å²	111	113.9 Å²	113.9	72%	0.721	83%	0.83	S	S	*	*			trans	-110.3	149.5	167.1	37.1	-28.6	0	0	0	112
21	L	51	Low	45.7	Very low	183 Å²	183	113 Å²	113	96%	0.958	83%	0.831	S	S	*	*			trans	-166	162.5	156.3	-109	159.3	0	0	0	110.1
22	A	45.8	Very low	45.9	Very low	103 Å²	103	111.1 Å²	111.1	85%	0.851	82%	0.822	S	S	*	*			trans	-147.6	170.9	-160.6	0	0	0	0	0	114.2
23	G	42.6	Very low	45.7	Very low	79 Å²	79	117 Å²	117	81%	0.814	82%	0.824	S	S	*	*			trans	153.9	140.7	161.5	0	0	0	0	0	116.7
24	G	47.4	Very low	45.7	Very low	74 Å²	74	122.5 Å²	122.5	76%	0.763	82%	0.824	S	S	*	*			trans	88.3	115.8	174.8	0	0	0	0	0	114.1
25	Q	45.1	Very low	45.8	Very low	175 Å²	175	121.3 Å²	121.3	82%	0.818	82%	0.822	S	S	*	*			cis	58.4	134.3	31.6	-86.2	-164.8	-45.2	0	0	114.9
26	E	42.9	Very low	45.7	Very low	172 Å²	172	121.4 Å²	121.4	80%	0.804	82%	0.816	S	S	*	*			cis	-166.3	160.8	-17.4	-144.7	164.6	-168.3	0	0	109.1
27	G	42.8	Very low	45.8	Very low	76 Å²	76	128.2 Å²	128.2	78%	0.784	82%	0.82	S	S	*	*			trans	145.7	127.1	166.3	0	0	0	0	0	118.5
28	S	40.9	Very low	45.1	Very low	121 Å²	121	124.5 Å²	124.5	85%	0.846	81%	0.809	S	S	*	*			trans	-167	179.8	172.4	-124.3	0	0	0	0	108.5
29	P	55.8	Low	45.3	Very low	127 Å²	127	126.8 Å²	126.8	83%	0.825	81%	0.814	S	S	*	*			cis	-125	-171.6	-31.3	38.2	-22.5	0	0	0	111.1
30	G	42.2	Very low	44.3	Very low	82 Å²	82	126 Å²	126	85%	0.845	81%	0.81	S	S	*	*			trans	177.3	125.8	166.3	0	0	0	0	0	114
31	G	40.8	Very low	44	Very low	88 Å²	88	129.2 Å²	129.2	91%	0.907	82%	0.817	S	S	*	*			trans	-144.5	-169	-175.5	0	0	0	0	0	114.7
32	G	42.3	Very low	43.6	Very low	68 Å²	68	126.4 Å²	126.4	70%	0.701	81%	0.807	S	S	*	*			trans	141.3	127.3	156.3	0	0	0	0	0	119
33	R	42.5	Very low	43.7	Very low	217 Å²	217	131 Å²	131	82%	0.819	81%	0.808	S	S	*	*			trans	72.6	153.9	142.4	-58.8	-175.2	175	-149.3	-2.8	117.1
34	R	44.6	Very low	43.8	Very low	214 Å²	214	136.7 Å²	136.7	81%	0.808	81%	0.81	S	S	*	*			cis	-165.2	140.4	-11	-119.8	179.3	173.2	-163	-3.5	111.9
35	G	41.8	Very low	43.6	Very low	80 Å²	80	144.7 Å²	144.7	83%	0.825	82%	0.818	S	S	*	*			trans	71.4	176.8	145.2	0	0	0	0	0	119.4
36	S	43.5	Very low	43.9	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	82%	0.824	S	S	*	*			cis	-171.3	164.2	-18.2	-168.2	0	0	0	0	111.6
37	R	42.9	Very low	44.1	Very low	246 Å²	246	142 Å²	142	93%	0.928	82%	0.821	S	S	*	*			trans	74.2	151.1	171.4	-52	170.9	174.8	172.1	-3.5	116.2
38	G	39.4	Very low	43.8	Very low	60 Å²	60	148.8 Å²	148.8	62%	0.619	82%	0.823	S	S	*	*			cis	159.8	167	-8.4	0	0	0	0	0	113.9
39	T	45	Very low	44	Very low	141 Å²	141	149.3 Å²	149.3	87%	0.865	82%	0.82	S	S	*	*			trans	75.2	166.3	176.4	82.4	0	0	0	0	119
40	T	40.4	Very low	43.1	Very low	120 Å²	120	147.8 Å²	147.8	74%	0.736	81%	0.809	S	S	*	*				175.3	123.1	-81.4	41.9	0	0	0	0	112.6
41	M	45.1	Very low	43.1	Very low	177 Å²	177	150.8 Å²	150.8	87%	0.872	80%	0.804	S	S	*	*			trans	-173.4	140.8	154.4	-110.3	-174.7	-71.9	0	0	109.4
42	V	40.8	Very low	43	Very low	125 Å²	125	153 Å²	153	76%	0.758	80%	0.795	S	S	*	*			cis	101.6	77.7	3.9	-168.9	0	0	0	0	117.5
43	K	47.9	Very low	42.8	Very low	200 Å²	200	154.3 Å²	154.3	87%	0.87	79%	0.794	S	S	*	*			trans	179.2	151.4	150.1	-101.7	151.6	-169.6	168.7	0	110.5
44	K	46.3	Very low	42.7	Very low	197 Å²	197	150.9 Å²	150.9	86%	0.857	79%	0.791	S	S	*	*			cis	-154.2	151.1	0.3	-174.1	176.1	-179.4	-179.5	0	110.1
45	R	41.5	Very low	42.4	Very low	243 Å²	243	145.9 Å²	145.9	92%	0.917	79%	0.785	S	S	*	*			trans	-102.5	150.3	175	-66.4	167.3	72.1	-178.6	4.3	112.4
46	K	52.6	Low	42.4	Very low	217 Å²	217	150.3 Å²	150.3	94%	0.943	78%	0.784	S	S	*	*			trans	-167.1	145	158.4	-159.5	178.1	-176	-169.1	0	107.9
47	G	46.3	Very low	42.3	Very low	72 Å²	72	152.8 Å²	152.8	74%	0.742	79%	0.788	S	S	*	*			cis	-171.8	148	-10.3	0	0	0	0	0	110.4
48	R	38	Very low	42.1	Very low	220 Å²	220	146.6 Å²	146.6	83%	0.83	78%	0.783	S	S	*	*			trans	-84.8	143.4	-174	171.2	-168.3	178.6	-156.7	3.2	112.5	V50	R48-V50 HydrophobicContact CG-CG2 4.12Å
49	V	44.1	Very low	42.3	Very low	131 Å²	131	147 Å²	147	79%	0.794	79%	0.787	S	S	*	*			trans	-136.1	146	144.2	-179.9	0	0	0	0	107.6
50	V	37.9	Very low	42.1	Very low	95 Å²	95	145 Å²	145	58%	0.576	78%	0.778	S	S	*	*			trans	-142.5	133.9	172.8	178.3	0	0	0	0	106.4	R48	R48-V50 HydrophobicContact CG-CG2 4.12Å
51	I	40.3	Very low	42.5	Very low	146 Å²	146	146.1 Å²	146.1	75%	0.749	78%	0.78	S	S	*	*			trans	-176.9	140.9	172	-90.8	140.1	0	0	0	103.1
52	D	39	Very low	43.1	Very low	133 Å²	133	145.3 Å²	145.3	71%	0.711	77%	0.774	S	S	*	*			cis	172.5	167.8	-26.7	-95	-41.1	0	0	0	103.6
53	S	38.6	Very low	43.9	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	77%	0.767	S	S	*	*			trans	70.1	103.6	166.1	-87.5	0	0	0	0	121.4
54	D	39.8	Very low	44.4	Very low	144 Å²	144	140.6 Å²	140.6	77%	0.77	75%	0.754	S	S	*	*				89	140.9	113.1	-56	-29.7	0	0	0	123.9
55	T	39.8	Very low	45.3	Very low	109 Å²	109	136.3 Å²	136.3	67%	0.669	74%	0.74	S	S	*	*			trans	78.2	84.5	145.9	-69.2	0	0	0	0	120.5
56	E	41.7	Very low	46.5	Very low	173 Å²	173	130.8 Å²	130.8	81%	0.808	73%	0.725	S	S	*	*				86.6	148	113.5	-72.5	152.3	-104.6	0	0	124.9
57	D	40.7	Very low	46.9	Very low	162 Å²	162	125.8 Å²	125.8	87%	0.866	71%	0.705	S	S	*	*			trans	85.6	143.1	162	-142.5	10.9	0	0	0	120.9
58	S	39.3	Very low	47.8	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	70%	0.695	S	S	*	*			trans	-100.9	132.3	-160.7	-55.3	0	0	0	0	113.4
59	G	42.7	Very low	49.1	Very low	67 Å²	67	122.3 Å²	122.3	69%	0.691	68%	0.684	S	S	*	*			trans	-169.4	131.6	170.2	0	0	0	0	0	115.9
60	S	40.5	Very low	50	Low	99 Å²	99	119.3 Å²	119.3	69%	0.692	67%	0.669	S	S	*	*			trans	63.7	82.7	164.2	59.8	0	0	0	0	118.9	E62	S60-E62 PolarHBondContact O-N 2.85Å
61	D	50.2	Low	50.8	Low	145 Å²	145	119.3 Å²	119.3	78%	0.775	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-7.9	166.6	-66.6	-74.5	0	0	0	114.8	N63	D61-N63 VanDerWaalsContact C-N 3.26Å; D61-N63 PolarHBondContact O-N 3.19Å
62	E	56.6	Low	51.5	Low	160 Å²	160	116.4 Å²	116.4	75%	0.748	66%	0.664	S	S	*	*	H	α-helix	trans	-73.2	-8.6	-174.2	-60.5	-166.6	144.5	0	0	115.2	S60 Q66	S60-E62 PolarHBondContact O-N 2.85Å; E62-Q66 PolarHBondContact O-NE2 2.95Å
63	N	57.4	Low	52.2	Low	114 Å²	114	118.9 Å²	118.9	61%	0.61	67%	0.668	S	S	*	*	H	α-helix	trans	-92	-29.4	-175.7	-159.3	41.1	0	0	0	113.4	D61 Q66 E67	D61-N63 VanDerWaalsContact C-N 3.26Å; D61-N63 PolarHBondContact O-N 3.19Å; N63-Q66 PolarHBondContact O-N 3.07Å; N63-E67 PolarHBondContact O-N 3.43Å; N63-E67 VanDerWaalsContact O-N 3.14Å
64	L	59.8	Low	52.5	Low	111 Å²	111	124.6 Å²	124.6	58%	0.581	68%	0.675	S	S	*	*	H	α-helix	trans	-67.9	-39.9	-177.8	-81.1	168.8	0	0	0	112.6	Q66 E67 L68	L64-Q66 VanDerWaalsContact C-N 3.32Å; L64-Q66 PolarHBondContact O-N 3.12Å; L64-E67 PolarHBondContact O-N 3.28Å; L64-L68 WeakPolarHBondContact O-CB 3.5Å; L64-L68 WeakPolarHBondContact O-CG 3.28Å; L64-L68 PolarHBondContact O-N 2.96Å
65	D	65.4	Low	52.5	Low	108 Å²	108	126.8 Å²	126.8	58%	0.578	68%	0.677	S	S	*	*	H	α-helix	trans	-65.1	-35.8	175.9	-90.5	-25.5	0	0	0	112.1	E67 L68 L69	D65-E67 VanDerWaalsContact C-N 3.35Å; D65-L68 PolarHBondContact O-N 3.07Å; D65-L69 WeakPolarHBondContact O-CB 3.32Å; D65-L69 WeakPolarHBondContact O-CD1 3.39Å; D65-L69 PolarHBondContact O-N 2.88Å
66	Q	65.2	Low	52.5	Low	126 Å²	126	133.6 Å²	133.6	59%	0.589	69%	0.691	S	S	*	*	H	α-helix	trans	-68.2	-35.4	176.2	-65.2	-172.2	59.7	0	0	112	E62 N63 L64 S70	E62-Q66 PolarHBondContact O-NE2 2.95Å; N63-Q66 PolarHBondContact O-N 3.07Å; L64-Q66 VanDerWaalsContact C-N 3.32Å; L64-Q66 PolarHBondContact O-N 3.12Å; Q66-S70 WeakPolarHBondContact O-CB 3.48Å; Q66-S70 PolarHBondContact O-N 3.12Å; Q66-S70 VanDerWaalsContact O-N 3.14Å; Q66-S70 PolarHBondContact O-OG 3.27Å
67	E	61.5	Low	52.5	Low	112 Å²	112	131.3 Å²	131.3	52%	0.523	69%	0.694	S	S	.	*	H	α-helix	trans	-69.9	-41.6	171.8	-165.3	172.3	-166.2	0	0	111.7	N63 L64 D65 S70 L71	N63-E67 PolarHBondContact O-N 3.43Å; N63-E67 VanDerWaalsContact O-N 3.14Å; L64-E67 PolarHBondContact O-N 3.28Å; D65-E67 VanDerWaalsContact C-N 3.35Å; E67-S70 CarbonylContact O-C 3.57Å; E67-S70 WeakPolarHBondContact O-CA 3.25Å; E67-S70 WeakPolarHBondContact O-CB 3.49Å; E67-S70 PolarHBondContact O-N 3.38Å; E67-S70 VanDerWaalsContact O-N 3.1Å; E67-L71 HydrophobicContact CG-CD1 3.99Å; E67-L71 HydrophobicContact CG-CG 4.33Å; E67-L71 WeakPolarHBondContact O-CB 3.4Å; E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 3.3Å
68	L	66.1	Low	52.4	Low	103 Å²	103	131.1 Å²	131.1	54%	0.539	69%	0.693	S	S	.	*	H	α-helix	trans	-63	-43.6	176	-74.9	170.4	0	0	0	112.7	L64 D65 S70 L71 A72	L64-L68 WeakPolarHBondContact O-CB 3.5Å; L64-L68 WeakPolarHBondContact O-CG 3.28Å; L64-L68 PolarHBondContact O-N 2.96Å; D65-L68 PolarHBondContact O-N 3.07Å; L68-S70 PolarHBondContact O-N 3.44Å; L68-L71 PolarHBondContact O-N 3.46Å; L68-A72 WeakPolarHBondContact O-CB 3.41Å; L68-A72 PolarHBondContact O-N 2.94Å
69	L	64.5	Low	52.5	Low	116 Å²	116	130.8 Å²	130.8	61%	0.607	69%	0.691	S	S	*	*	H	α-helix	trans	-63.2	-30.2	172.7	-91.5	83.7	0	0	0	112.3	D65	D65-L69 WeakPolarHBondContact O-CB 3.32Å; D65-L69 WeakPolarHBondContact O-CD1 3.39Å; D65-L69 PolarHBondContact O-N 2.88Å
70	S	63.7	Low	52.4	Low	68 Å²	68	136.2 Å²	136.2	48%	0.476	70%	0.698	S	S	.	*	H	α-helix	trans	-76.2	-38	176.2	-63.4	0	0	0	0	112.5	Q66 E67 L68 K73 R74	Q66-S70 WeakPolarHBondContact O-CB 3.48Å; Q66-S70 PolarHBondContact O-N 3.12Å; Q66-S70 VanDerWaalsContact O-N 3.14Å; Q66-S70 PolarHBondContact O-OG 3.27Å; E67-S70 CarbonylContact O-C 3.57Å; E67-S70 WeakPolarHBondContact O-CA 3.25Å; E67-S70 WeakPolarHBondContact O-CB 3.49Å; E67-S70 PolarHBondContact O-N 3.38Å; E67-S70 VanDerWaalsContact O-N 3.1Å; L68-S70 PolarHBondContact O-N 3.44Å; S70-K73 PolarHBondContact O-N 3.16Å; S70-R74 WeakPolarHBondContact O-CG 3.43Å
71	L	53.3	Low	52.4	Low	96 Å²	96	138.1 Å²	138.1	50%	0.503	70%	0.696	S	S	.	*	H	α-helix	trans	-73.4	-35.3	176.3	-72.3	170	0	0	0	112.3	E67 L68 K73 R74	E67-L71 HydrophobicContact CG-CD1 3.99Å; E67-L71 HydrophobicContact CG-CG 4.33Å; E67-L71 WeakPolarHBondContact O-CB 3.4Å; E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 3.3Å; L68-L71 PolarHBondContact O-N 3.46Å; L71-K73 PolarHBondContact O-N 3.11Å; L71-R74 PolarHBondContact O-N 2.93Å
72	A	55	Low	51.8	Low	85 Å²	85	138.7 Å²	138.7	70%	0.702	69%	0.692	S	S	*	*	H	α-helix	trans	-57.7	-30	173.3	0	0	0	0	0	112.7	L68	L68-A72 WeakPolarHBondContact O-CB 3.41Å; L68-A72 PolarHBondContact O-N 2.94Å
73	K	53.6	Low	51	Low	185 Å²	185	139.3 Å²	139.3	80%	0.804	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-3	174.5	-71.8	174.8	179.2	169.3	0	114.3	S70 L71	S70-K73 PolarHBondContact O-N 3.16Å; L71-K73 PolarHBondContact O-N 3.11Å
74	R	46.5	Very low	50.2	Low	216 Å²	216	138.6 Å²	138.6	82%	0.815	70%	0.696	S	S	*	*	S	Bend	trans	-124.4	31.4	-171	-66.3	-177.1	72.3	168.8	1	114.8	S70 L71	S70-R74 WeakPolarHBondContact O-CG 3.43Å; L71-R74 PolarHBondContact O-N 2.93Å
75	K	39	Very low	49.2	Very low	190 Å²	190	138.7 Å²	138.7	83%	0.826	70%	0.703	S	S	*	*			trans	-139.7	65	175.6	-161.1	175.1	-178	176	0	115.4
76	R	40.5	Very low	47.9	Very low	253 Å²	253	140.1 Å²	140.1	96%	0.955	72%	0.716	S	S	*	*			trans	-169.5	90.6	156.6	-108.3	167	-164.1	-163.1	5.5	112
77	S	40.5	Very low	46.7	Very low	124 Å²	124	139.5 Å²	139.5	87%	0.867	73%	0.725	S	S	*	*			trans	-160.7	81	167.6	49.7	0	0	0	0	112.9
78	D	40.1	Very low	45.9	Very low	158 Å²	158	142.9 Å²	142.9	85%	0.845	74%	0.741	S	S	*	*			trans	-156.5	158.8	150.6	-155.2	-7.6	0	0	0	109.8
79	S	41	Very low	44.7	Very low	111 Å²	111	144.1 Å²	144.1	78%	0.776	76%	0.755	S	S	*	*			trans	70.9	134.1	-175.9	-57.5	0	0	0	0	117.6
80	E	39.3	Very low	43.4	Very low	180 Å²	180	143 Å²	143	84%	0.841	76%	0.763	S	S	*	*			trans	-88	173.4	-169.6	-63.9	177.9	83.5	0	0	112
81	E	41.4	Very low	42.2	Very low	140 Å²	140	144.6 Å²	144.6	65%	0.654	78%	0.78	S	S	*	*			cis	-151.6	148.6	39.4	-47	178.6	111.6	0	0	115.8
82	K	37.7	Very low	41.5	Very low	157 Å²	157	145.6 Å²	145.6	68%	0.683	80%	0.795	S	S	*	*			trans	32.5	138.1	136.7	-70.4	176	-177.3	161.6	0	119.7
83	E	39.8	Very low	40.6	Very low	173 Å²	173	147.1 Å²	147.1	81%	0.808	80%	0.801	S	S	*	*			cis	-155.4	-179.3	15.3	-102.9	-97	136.3	0	0	109.1
84	P	39.9	Very low	39.7	Very low	99 Å²	99	145.9 Å²	145.9	64%	0.643	80%	0.803	S	S	*	*			trans	-97.8	-170	-149.3	44.4	-43.4	0	0	0	115
85	P	39.1	Very low	39.3	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	81%	0.806	S	S	*	*			cis	-136.8	-162.5	4.3	35.4	-11.3	0	0	0	116.2
86	V	38.5	Very low	39.2	Very low	138 Å²	138	141.6 Å²	141.6	84%	0.836	81%	0.808	S	S	*	*			trans	85.2	116.2	166.8	-167.1	0	0	0	0	117.1
87	S	40.6	Very low	39.1	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	80%	0.802	S	S	*	*			trans	-109.4	132.4	177.2	48.3	0	0	0	0	112.7
88	Q	43.3	Very low	38.8	Very low	183 Å²	183	135.1 Å²	135.1	86%	0.855	80%	0.797	S	S	*	*			trans	-98.5	145.9	162.2	-66.6	-178.3	-15.4	0	0	109.9
89	P	41.9	Very low	38.8	Very low	128 Å²	128	135 Å²	135	83%	0.831	80%	0.796	S	S	*	*			trans	-91	149.3	152.4	35.1	-29.3	0	0	0	110.5
90	A	36	Very low	38.5	Very low	93 Å²	93	134.9 Å²	134.9	77%	0.769	80%	0.795	S	S	*	*			trans	-134.5	149.6	170.5	0	0	0	0	0	110.2
91	A	39.5	Very low	38.7	Very low	101 Å²	101	133.7 Å²	133.7	84%	0.835	80%	0.795	S	S	*	*			trans	59.6	105.9	171	0	0	0	0	0	118.5
92	S	37.4	Very low	38.7	Very low	117 Å²	117	134 Å²	134	82%	0.818	80%	0.801	S	S	*	*				-170.5	139.5	129.9	51.8	0	0	0	0	112.8
93	S	36.2	Very low	39.1	Very low	118 Å²	118	134 Å²	134	83%	0.825	80%	0.803	S	S	*	*			trans	62.9	132.6	157.7	-147.5	0	0	0	0	121.5
94	D	35.1	Very low	39.2	Very low	159 Å²	159	136.3 Å²	136.3	85%	0.85	81%	0.805	S	S	*	*			trans	-66.7	146.9	159.9	-67.6	-89.2	0	0	0	112.7
95	S	38.5	Very low	39.5	Very low	125 Å²	125	137.5 Å²	137.5	87%	0.874	81%	0.81	S	S	*	*			trans	-163.6	144.7	156.6	-159.2	0	0	0	0	110.1
96	E	36.2	Very low	39.3	Very low	190 Å²	190	141.6 Å²	141.6	89%	0.888	82%	0.817	S	S	*	*			trans	-98.9	118.5	-166.1	-59	-173.6	108.7	0	0	114.5
97	T	38.8	Very low	39.7	Very low	133 Å²	133	138.5 Å²	138.5	82%	0.816	81%	0.813	S	S	*	*			trans	-143.3	118.1	151.7	61.6	0	0	0	0	107.9
98	S	35.3	Very low	39.5	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	81%	0.814	S	S	*	*			cis	75	59.2	43.7	-168	0	0	0	0	115.6
99	D	40.2	Very low	39.6	Very low	156 Å²	156	137.2 Å²	137.2	83%	0.834	81%	0.812	S	S	*	*			trans	-146	125	155.4	-85.3	-47.6	0	0	0	107.5
100	S	33.8	Very low	39.6	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	81%	0.809	S	S	*	*			cis	78.5	55.3	5	-163.2	0	0	0	0	118.7
101	D	42.9	Very low	39.9	Very low	156 Å²	156	141.8 Å²	141.8	83%	0.834	81%	0.808	S	S	*	*			trans	-147.8	156.7	144.6	-141	-19.5	0	0	0	113.1
102	D	42.8	Very low	39.9	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	81%	0.805	S	S	*	*			trans	-90.6	146.7	-167.5	-93.3	-69.7	0	0	0	114.8	W104	D102-W104 PolarHBondContact O-N 2.95Å; D102-W104 VanDerWaalsContact O-N 3.07Å
103	E	44.2	Very low	40.2	Very low	157 Å²	157	148 Å²	148	73%	0.734	80%	0.802	S	S	*	*			trans	-68.9	102.9	176.2	-72.4	-167.2	66.9	0	0	111.7	T105 K504	E103-T105 PolarHBondContact O-N 3.43Å; E103-K504 IonicContact OE2-NZ 2.65Å
104	W	43.6	Very low	40.4	Very low	222 Å²	222	152 Å²	152	84%	0.841	81%	0.805	S	S	*	*			trans	-61.8	101.4	171.7	-94.2	65.2	0	0	0	112.1	D102 F106	D102-W104 PolarHBondContact O-N 2.95Å; D102-W104 VanDerWaalsContact O-N 3.07Å; W104-F106 HydrophobicContact CE3-CD2 4.24Å; W104-F106 HydrophobicContact CE3-CE2 4.05Å; W104-F106 HydrophobicContact CZ3-CE2 4.01Å
105	T	45.2	Very low	40.7	Very low	124 Å²	124	147.7 Å²	147.7	76%	0.761	80%	0.797	S	S	*	*			trans	-96.5	115.6	170.8	43.5	0	0	0	0	110.9	E103 G107	E103-T105 PolarHBondContact O-N 3.43Å; T105-G107 PolarHBondContact O-N 3.36Å
106	F	34.4	Very low	40.7	Very low	198 Å²	198	152.1 Å²	152.1	87%	0.868	80%	0.801	S	S	*	*			trans	-77.2	68.5	-177.8	-124.1	-95.1	0	0	0	111.8	W104	W104-F106 HydrophobicContact CE3-CD2 4.24Å; W104-F106 HydrophobicContact CE3-CE2 4.05Å; W104-F106 HydrophobicContact CZ3-CE2 4.01Å
107	G	46.9	Very low	41	Very low	73 Å²	73	146.8 Å²	146.8	75%	0.753	79%	0.789	S	S	*	*			trans	-90	108	-176.8	0	0	0	0	0	113.9	T105 N109	T105-G107 PolarHBondContact O-N 3.36Å; G107-N109 PolarHBondContact O-N 3.33Å
108	S	37.7	Very low	41.2	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	79%	0.793	S	S	*	*			trans	-73	121.3	-179.6	-179.6	0	0	0	0	113.6
109	N	44.7	Very low	41.5	Very low	153 Å²	153	154.3 Å²	154.3	82%	0.818	79%	0.79	S	S	*	*			trans	-157.9	173.1	139.6	-128.4	-45.9	0	0	0	115.2	G107	G107-N109 PolarHBondContact O-N 3.33Å
110	K	42.8	Very low	41.7	Very low	175 Å²	175	153.6 Å²	153.6	76%	0.761	79%	0.785	S	S	*	*			trans	-100	157.6	-159.5	-62.6	166.8	-179.2	167.5	0	115.2
111	N	41.1	Very low	42.2	Very low	143 Å²	143	155.8 Å²	155.8	77%	0.765	78%	0.783	S	S	*	*			trans	97.3	136.5	139.8	-90.1	-36.3	0	0	0	123.4
112	K	41.2	Very low	42.4	Very low	174 Å²	174	158.6 Å²	158.6	76%	0.757	79%	0.788	S	S	*	*			trans	80.2	95.2	146.2	-76.2	178.2	179.7	173.6	0	122.3
113	K	42.5	Very low	42.3	Very low	175 Å²	175	162 Å²	162	76%	0.761	80%	0.796	S	S	*	*				72.9	122.6	114	-84.7	-176.4	172.9	174.3	0	121.6
114	K	40.8	Very low	42.2	Very low	202 Å²	202	157.4 Å²	157.4	88%	0.878	79%	0.791	S	S	*	*			trans	69.1	135.1	145.5	-63.8	179.8	171.8	-174.2	0	117.3
115	G	40.2	Very low	42.2	Very low	68 Å²	68	153.2 Å²	153.2	70%	0.701	79%	0.79	S	S	*	*			cis	149.3	179.8	-8	0	0	0	0	0	114.1
116	K	40.3	Very low	42.3	Very low	217 Å²	217	155.7 Å²	155.7	94%	0.943	80%	0.795	S	S	*	*			trans	76	149.3	-177	-62.7	178.1	174.4	177.3	0	115.6
117	A	42.5	Very low	42.8	Very low	78 Å²	78	154.8 Å²	154.8	65%	0.645	79%	0.791	S	S	*	*			cis	-172.4	171.5	-23.8	0	0	0	0	0	111.3
118	R	42.1	Very low	42.7	Very low	240 Å²	240	160.2 Å²	160.2	91%	0.906	79%	0.794	S	S	*	*			trans	77.2	146.6	157	-71.6	173.8	177.1	-154.5	-3.3	117.6
119	K	41.9	Very low	43.2	Very low	159 Å²	159	162.4 Å²	162.4	69%	0.691	79%	0.791	S	S	*	*			cis	-167.3	171.2	-18	-162.8	-163.7	169.8	-167.2	0	109.2
120	I	44.6	Very low	43.1	Very low	142 Å²	142	158.9 Å²	158.9	73%	0.728	78%	0.784	S	S	*	*			trans	84.8	129.1	164.1	-51.7	165.3	0	0	0	113.5
121	E	43.6	Very low	43.1	Very low	153 Å²	153	157.5 Å²	157.5	72%	0.715	78%	0.784	S	S	*	*			cis	124.1	107.9	-7.6	-75.2	-167.6	110.3	0	0	114.5
122	K	46.6	Very low	43.1	Very low	215 Å²	215	158.5 Å²	158.5	94%	0.935	78%	0.782	S	S	*	*			trans	172	162.9	146.5	-98.9	164.8	-177.9	-178.5	0	111.4
123	K	42.3	Very low	43.1	Very low	217 Å²	217	156.3 Å²	156.3	94%	0.943	78%	0.783	S	S	*	*				-168.6	124.4	-90.2	176	178.9	179.5	-178.4	0	112.4
124	G	41.2	Very low	43.1	Very low	61 Å²	61	152.7 Å²	152.7	63%	0.629	79%	0.786	S	S	*	*			trans	173.2	160.7	169.5	0	0	0	0	0	111.3
125	T	44.6	Very low	43.1	Very low	135 Å²	135	149.3 Å²	149.3	83%	0.828	79%	0.788	S	S	*	*			cis	79.3	129.1	7	72.7	0	0	0	0	117.2
126	M	47	Very low	43.1	Very low	175 Å²	175	152.1 Å²	152.1	86%	0.862	80%	0.797	S	S	*	*			cis	-140.2	166.2	3	-69.3	-160.4	-162.8	0	0	110.5
127	K	45.5	Very low	43.1	Very low	180 Å²	180	145.3 Å²	145.3	78%	0.783	79%	0.788	S	S	*	*			cis	111.2	74.1	5.6	-167	-141.5	163.1	-178.4	0	118.1
128	K	43.5	Very low	43	Very low	187 Å²	187	146.9 Å²	146.9	81%	0.813	79%	0.794	S	S	*	*			trans	-154.6	141.7	150.1	-92.2	-171.1	173.2	178	0	108.2
129	Q	48.9	Very low	42.8	Very low	161 Å²	161	139.8 Å²	139.8	75%	0.752	78%	0.782	S	S	*	*			cis	77.1	134.9	46.6	-68.5	-179.4	-41	0	0	114.1
130	A	41.8	Very low	42.7	Very low	80 Å²	80	139 Å²	139	66%	0.661	79%	0.785	S	S	*	*			cis	-171.8	176.6	-10.6	0	0	0	0	0	111.4
131	N	42.2	Very low	42.7	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	79%	0.785	S	S	*	*			trans	69.7	157.3	162.1	-82.9	-3.4	0	0	0	118.8
132	K	42.6	Very low	42.5	Very low	165 Å²	165	138.4 Å²	138.4	72%	0.717	78%	0.78	S	S	*	*			cis	-171.1	165.6	-32.1	-126.2	-175.8	-173.6	-175.3	0	109.5
133	T	41.3	Very low	42.3	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	77%	0.774	S	S	*	*			trans	54.6	122.5	160.2	47.4	0	0	0	0	118.3
134	A	41.2	Very low	42.3	Very low	99 Å²	99	128.3 Å²	128.3	82%	0.818	76%	0.764	S	S	*	*			cis	88.9	99.5	32.2	0	0	0	0	0	116
135	S	42.1	Very low	42.5	Very low	131 Å²	131	129.9 Å²	129.9	92%	0.916	77%	0.771	S	S	*	*			trans	-164.8	161.4	152.6	55.3	0	0	0	0	110.6
136	S	39.1	Very low	42.4	Very low	127 Å²	127	132.1 Å²	132.1	89%	0.888	77%	0.772	S	S	*	*			trans	-111.3	149.2	-172.1	53.8	0	0	0	0	114.3
137	G	41.7	Very low	42.2	Very low	73 Å²	73	128.8 Å²	128.8	75%	0.753	77%	0.766	S	S	*	*			trans	160.8	110.5	170	0	0	0	0	0	108.3
138	S	40.4	Very low	42	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	76%	0.763	S	S	*	*				84.6	117	63.4	-166.1	0	0	0	0	113.3
139	S	37.4	Very low	42.1	Very low	92 Å²	92	120.5 Å²	120.5	64%	0.643	76%	0.76	S	S	*	*			trans	61.1	122.2	147.9	50.8	0	0	0	0	121.5
140	D	39.8	Very low	42.1	Very low	143 Å²	143	117.5 Å²	117.5	77%	0.765	75%	0.754	S	S	*	*			trans	82.1	110.3	138.4	-63.2	-43.8	0	0	0	123.4
141	K	43.9	Very low	42.2	Very low	165 Å²	165	121.6 Å²	121.6	72%	0.717	76%	0.76	S	S	*	*				82.7	132.9	124.3	-88.5	178.8	149.4	-68.4	0	124.3
142	D	40.4	Very low	42.4	Very low	117 Å²	117	123.3 Å²	123.3	63%	0.626	76%	0.763	S	S	*	*			trans	70.4	122	140.6	-65.2	-37	0	0	0	122.5
143	S	41.5	Very low	42.1	Very low	115 Å²	115	118.8 Å²	118.8	80%	0.804	76%	0.763	S	S	*	*			trans	72.9	149.7	148.8	81.1	0	0	0	0	117.3
144	S	43	Very low	42.1	Very low	105 Å²	105	122 Å²	122	73%	0.734	77%	0.769	S	S	*	*			cis	-157	167	-2.6	34.4	0	0	0	0	110.7
145	A	44.6	Very low	42.2	Very low	93 Å²	93	124.6 Å²	124.6	77%	0.769	77%	0.774	S	S	*	*			trans	50.9	127.9	148.8	0	0	0	0	0	119.4
146	E	42.4	Very low	42.3	Very low	183 Å²	183	123.7 Å²	123.7	86%	0.855	77%	0.768	S	S	*	*			cis	-138.7	-163.3	10.3	-65.5	-163.7	62.5	0	0	109.7
147	S	42.4	Very low	42.2	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	77%	0.767	S	S	*	*			cis	-156	167.4	9.5	70.9	0	0	0	0	115.7
148	S	41.5	Very low	42.3	Very low	103 Å²	103	127.3 Å²	127.3	72%	0.72	77%	0.77	S	S	*	*			trans	-37.1	158.3	156.3	-52.9	0	0	0	0	116.6
149	A	46.7	Very low	42.4	Very low	90 Å²	90	129.6 Å²	129.6	74%	0.744	77%	0.773	S	S	*	*			cis	177.5	-178.4	-10.1	0	0	0	0	0	109
150	P	48.2	Very low	42.6	Very low	97 Å²	97	130 Å²	130	63%	0.63	78%	0.776	S	S	*	*			cis	-129	-171.1	-24.3	34	-13.7	0	0	0	113.9
151	E	43.2	Very low	42.6	Very low	167 Å²	167	130.8 Å²	130.8	78%	0.78	78%	0.78	S	S	*	*			trans	40.8	149	143.4	-69.6	155.2	128.2	0	0	121.5
152	E	46.6	Very low	42.3	Very low	180 Å²	180	128 Å²	128	84%	0.841	78%	0.782	S	S	*	*			cis	-128.8	160.4	12.5	-55.7	-98.7	149.2	0	0	109.6
153	G	37.8	Very low	42.2	Very low	70 Å²	70	128.1 Å²	128.1	72%	0.722	79%	0.791	S	S	*	*			cis	-178.6	140.5	-3.8	0	0	0	0	0	109.8
154	E	41	Very low	42	Very low	195 Å²	195	127.6 Å²	127.6	91%	0.911	79%	0.788	S	S	*	*			trans	-99	142	177.6	-64.4	-175	119.4	0	0	110.8
155	V	43.1	Very low	41.8	Very low	154 Å²	154	127.5 Å²	127.5	93%	0.933	79%	0.787	S	S	*	*			trans	-93.6	111.1	166.2	-72.4	0	0	0	0	109.1
156	S	44	Very low	41.4	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	79%	0.79	S	S	*	*			trans	-93.5	133.3	-170.6	-166.8	0	0	0	0	112.8	S158	S156-S158 PolarHBondContact O-N 3.09Å
157	D	37.6	Very low	41.1	Very low	159 Å²	159	125 Å²	125	85%	0.85	78%	0.784	S	S	*	*			trans	-79.7	95.5	170.1	-81.7	-58.5	0	0	0	110.6
158	S	43.4	Very low	40.7	Very low	117 Å²	117	128 Å²	128	82%	0.818	79%	0.792	S	S	*	*			trans	-171.7	124	153.1	-84.1	0	0	0	0	112	S156	S156-S158 PolarHBondContact O-N 3.09Å
159	D	42	Very low	40.6	Very low	158 Å²	158	127.8 Å²	127.8	85%	0.845	79%	0.791	S	S	*	*			trans	-146.8	166.6	151.6	-143.1	-23.4	0	0	0	111.9
160	S	41.5	Very low	40	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	80%	0.795	S	S	*	*			trans	-92.8	122.4	-139.6	-59.1	0	0	0	0	115	S162	S160-S162 PolarHBondContact O-N 3.38Å
161	N	39	Very low	39.6	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	80%	0.8	S	S	*	*			trans	-15.6	107.4	156.6	-179.3	35.7	0	0	0	116.6
162	S	38.4	Very low	39.3	Very low	108 Å²	108	128.6 Å²	128.6	76%	0.755	80%	0.8	S	S	*	*			trans	-130.6	116.9	158.8	68.6	0	0	0	0	110.8	S160	S160-S162 PolarHBondContact O-N 3.38Å
163	S	37.2	Very low	39.2	Very low	118 Å²	118	123.8 Å²	123.8	83%	0.825	79%	0.786	S	S	*	*			trans	-90.6	109.6	-174.3	57.4	0	0	0	0	112.7
164	S	39	Very low	39.8	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	78%	0.778	S	S	*	*			trans	-140.5	125.2	167.4	60.7	0	0	0	0	112.7
165	S	38	Very low	40.4	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	77%	0.77	S	S	*	*			trans	-17.1	118.7	169.9	52.9	0	0	0	0	118.5
166	S	35.5	Very low	41.3	Very low	117 Å²	117	119.4 Å²	119.4	82%	0.818	74%	0.741	S	S	*	*				18.4	107.3	127.8	58.3	0	0	0	0	118.4
167	S	36.5	Very low	42.4	Very low	105 Å²	105	121.2 Å²	121.2	73%	0.734	74%	0.737	S	S	*	*			trans	-144.9	122	145.3	-171	0	0	0	0	108.9
168	D	35.5	Very low	44.2	Very low	168 Å²	168	116.3 Å²	116.3	90%	0.898	71%	0.708	S	S	*	*			trans	-70.9	128.3	169.5	-86.1	-79	0	0	0	109.1
169	S	39.2	Very low	45.8	Very low	100 Å²	100	118.4 Å²	118.4	70%	0.699	71%	0.705	S	S	*	*			trans	-147.4	82.5	171	-74.1	0	0	0	0	109.6	S171	S169-S171 VanDerWaalsContact C-N 3.34Å; S169-S171 PolarHBondContact O-N 3.12Å
170	D	33.4	Very low	47.6	Very low	155 Å²	155	112.3 Å²	112.3	83%	0.829	67%	0.672	S	S	*	*			trans	-68	90.6	170.5	-162	4.8	0	0	0	107.9
171	S	38.6	Very low	49.3	Very low	104 Å²	104	110.8 Å²	110.8	73%	0.727	67%	0.672	S	S	*	*			trans	-124.4	148.2	-174.1	-166.2	0	0	0	0	111.8	S169	S169-S171 VanDerWaalsContact C-N 3.34Å; S169-S171 PolarHBondContact O-N 3.12Å
172	S	38.8	Very low	51.3	Low	112 Å²	112	107.3 Å²	107.3	78%	0.783	65%	0.648	S	S	*	*			trans	-74.6	129.6	-162	-62.2	0	0	0	0	115.2
173	S	44	Very low	53	Low	79 Å²	79	103.6 Å²	103.6	55%	0.552	63%	0.627	S	S	*	*			trans	-151.7	85.4	142.3	53	0	0	0	0	109.4	D175	S173-D175 VanDerWaalsContact C-N 3.27Å
174	E	50.5	Low	54.8	Low	119 Å²	119	107.2 Å²	107.2	56%	0.556	63%	0.631	S	S	*	*			trans	-89	-5.6	170.2	-54.9	-151.7	136.6	0	0	111.6	E176 K226 K233	E174-E176 PolarHBondContact O-N 3.16Å; E174-K226 WeakPolarHBondContact O-CE 3.47Å; E174-K226 PolarHBondContact O-NZ 3.45Å; E174-K233 IonicContact OE1-NZ 3.2Å; E174-K233 PolarHBondContact OE1-NZ 3.41Å
175	D	53	Low	56.5	Low	137 Å²	137	106 Å²	106	73%	0.733	62%	0.616	S	S	*	*			trans	-96.4	40.1	-179.9	-42.3	-70.8	0	0	0	112.3	S173 E177	S173-D175 VanDerWaalsContact C-N 3.27Å; D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 2.71Å
176	E	62.4	Low	58.3	Low	71 Å²	71	102.3 Å²	102.3	33%	0.332	59%	0.588	S	S	.	*			trans	-62.8	102.1	154.1	-72.9	173.4	-177.5	0	0	106.8	E174 F222 K226 K229	E174-E176 PolarHBondContact O-N 3.16Å; E176-F222 HydrophobicContact CB-CE2 4.35Å; E176-F222 HydrophobicContact CB-CZ 3.84Å; E176-F222 VanDerWaalsContact O-CZ 3.26Å; E176-F222 WeakPolarHBondContact O-CZ 3.23Å; E176-K226 PolarHBondContact O-NZ 3.48Å; E176-K229 IonicContact OE1-NZ 3.63Å; E176-K229 PolarHBondContact OE1-NZ 3.22Å; E176-K229 IonicContact OE2-NZ 2.62Å; E176-K229 PolarHBondContact OE2-NZ 3.46Å; E176-K229 VanDerWaalsContact OE2-NZ 3.08Å
177	E	68	Low	60.2	Low	150 Å²	150	97.4 Å²	97.4	70%	0.701	55%	0.552	S	S	*	*			trans	-85.7	162.2	169.9	-68.7	-160	119.7	0	0	111.6	D175 H179	D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 2.71Å; E177-H179 PolarHBondContact O-N 2.79Å
178	F	75.4	Confident	62.2	Low	56 Å²	56	93.4 Å²	93.4	25%	0.246	53%	0.528	C	S	.	.			trans	-92.7	104.3	-172.5	175.9	-98.6	0	0	0	110.8	D180 R215 L218 K219 F222	F178-D180 HydrophobicContact CE1-CB 3.87Å; F178-D180 WeakPolarHBondContact CE1-OD2 3.33Å; F178-D180 HydrophobicContact CZ-CB 3.74Å; F178-R215 HydrophobicContact CE1-CG 4.31Å; F178-L218 VanDerWaalsContact CE2-C 3.42Å; F178-L218 HydrophobicContact CE2-CB 3.75Å; F178-L218 HydrophobicContact CZ-CB 3.6Å; F178-K219 HydrophobicContact CD1-CB 4.45Å; F178-K219 HydrophobicContact CD1-CG 4.49Å; F178-K219 HydrophobicContact CE1-CB 4.1Å; F178-K219 HydrophobicContact CE2-CB 4.18Å; F178-K219 HydrophobicContact CZ-CB 3.95Å; F178-F222 HydrophobicContact CB-CD1 4.27Å; F178-F222 HydrophobicContact CD2-CB 3.78Å; F178-F222 HydrophobicContact CD2-CD1 4.24Å; F178-F222 AromaticContact CD2-CG 3.95Å; F178-F222 HydrophobicContact CD2-CG 3.95Å; F178-F222 HydrophobicContact CE2-CB 4.2Å
179	H	75.7	Confident	64.4	Low	162 Å²	162	92 Å²	92	75%	0.75	52%	0.521	S	S	*	.			trans	-108.8	126.2	171	-60.2	-77.4	0	0	0	110.5	E177	E177-H179 PolarHBondContact O-N 2.79Å
180	D	80.6	Confident	66.3	Low	30 Å²	30	95.2 Å²	95.2	16%	0.16	53%	0.525	C	S	.	.			trans	-118.8	6.7	176	58.1	-2.4	0	0	0	113.6	F178 Y182 R215 L218	F178-D180 HydrophobicContact CE1-CB 3.87Å; F178-D180 WeakPolarHBondContact CE1-OD2 3.33Å; F178-D180 HydrophobicContact CZ-CB 3.74Å; D180-Y182 WeakPolarHBondContact O-CD2 3.37Å; D180-R215 IonicContact OD1-CZ 3.73Å; D180-R215 IonicContact OD1-NE 3.38Å; D180-R215 IonicContact OD1-NH2 2.7Å; D180-R215 PolarHBondContact OD1-NH2 2.78Å; D180-R215 VanDerWaalsContact OD2-CB 3.3Å; D180-R215 WeakPolarHBondContact OD2-CB 3.36Å; D180-R215 VanDerWaalsContact OD2-CG 3.27Å; D180-R215 WeakPolarHBondContact OD2-CG 3.27Å; D180-R215 IonicContact OD2-CZ 2.63Å; D180-R215 IonicContact OD2-NE 2.69Å; D180-R215 PolarHBondContact OD2-NE 2.84Å; D180-R215 IonicContact OD2-NH2 3.64Å; D180-L218 HydrophobicContact CB-CD1 4.11Å
181	G	75.9	Confident	68.5	Low	70 Å²	70	95.8 Å²	95.8	72%	0.722	52%	0.522	S	S	*	.	S	Bend	trans	89	2.9	176.2	0	0	0	0	0	115.5
182	Y	81.1	Confident	70.7	Confident	84 Å²	84	92.2 Å²	92.2	33%	0.329	50%	0.495	S	S	.	.	S	Bend	trans	-119.8	152.9	178	-60.2	-85.6	0	0	0	111.7	D180 L186 R211 R215	D180-Y182 WeakPolarHBondContact O-CD2 3.37Å; Y182-L186 WeakPolarHBondContact CD1-O 3.14Å; Y182-R211 HydrophobicContact CE1-CG 4.29Å; Y182-R215 PolarHBondContact O-NH2 3.48Å
183	G	74.4	Confident	72.9	Confident	31 Å²	31	91.9 Å²	91.9	32%	0.32	48%	0.477	S	S	.	.			trans	-63.8	179.6	174.4	0	0	0	0	0	113.6	D185 L186 M187 R215	G183-D185 WeakPolarHBondContact CA-OD1 3.26Å; G183-D185 PolarHBondContact O-N 3.21Å; G183-L186 PolarHBondContact O-N 3.15Å; G183-L186 VanDerWaalsContact O-N 3.13Å; G183-M187 PolarHBondContact N-O 3.21Å; G183-R215 PolarHBondContact O-NH1 2.89Å; G183-R215 PolarHBondContact O-NH2 2.88Å
184	E	75.6	Confident	74.8	Confident	193 Å²	193	90.1 Å²	90.1	90%	0.902	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.8	170.7	-169.6	161.1	-150	0	0	111.4	L186	E184-L186 VanDerWaalsContact C-N 3.28Å; E184-L186 PolarHBondContact O-N 3.31Å
185	D	75.2	Confident	76.4	Confident	78 Å²	78	90.8 Å²	90.8	42%	0.417	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.3	172.4	64.6	-9.4	0	0	0	114.8	G183 M187 R193	G183-D185 WeakPolarHBondContact CA-OD1 3.26Å; G183-D185 PolarHBondContact O-N 3.21Å; D185-M187 HydrophobicContact CB-CG 4.02Å; D185-M187 PolarHBondContact O-N 3.21Å; D185-M187 WeakPolarHBondContact OD1-CB 3.41Å; D185-M187 PolarHBondContact OD1-N 3.47Å; D185-M187 WeakPolarHBondContact OD2-CB 3.45Å; D185-M187 WeakPolarHBondContact OD2-CG 3.43Å; D185-R193 IonicContact OD2-NH2 2.74Å; D185-R193 PolarHBondContact OD2-NH2 2.88Å
186	L	75.3	Confident	77.8	Confident	27 Å²	27	84.3 Å²	84.3	14%	0.141	43%	0.429	C	S	.	.	S	Bend	trans	59.3	14.6	-171.1	-66.3	91.6	0	0	0	115.3	Y182 G183 E184 L208 R211 I212	Y182-L186 WeakPolarHBondContact CD1-O 3.14Å; G183-L186 PolarHBondContact O-N 3.15Å; G183-L186 VanDerWaalsContact O-N 3.13Å; E184-L186 VanDerWaalsContact C-N 3.28Å; E184-L186 PolarHBondContact O-N 3.31Å; L186-L208 HydrophobicContact CB-CD2 4.03Å; L186-R211 HydrophobicContact CD2-CB 3.82Å; L186-R211 WeakPolarHBondContact O-CD 3.25Å; L186-R211 PolarHBondContact O-NH1 3.19Å; L186-I212 HydrophobicContact CD2-CB 4.26Å; L186-I212 HydrophobicContact CD2-CG1 3.55Å
187	M	74.7	Confident	78.8	Confident	14 Å²	14	86.5 Å²	86.5	7%	0.069	44%	0.44	C	S	.	.			trans	-82.8	150	170.4	-50.8	-65.3	-77.8	0	0	109.2	G183 D185 R193 L196 L208	G183-M187 PolarHBondContact N-O 3.21Å; D185-M187 HydrophobicContact CB-CG 4.02Å; D185-M187 PolarHBondContact O-N 3.21Å; D185-M187 WeakPolarHBondContact OD1-CB 3.41Å; D185-M187 PolarHBondContact OD1-N 3.47Å; D185-M187 WeakPolarHBondContact OD2-CB 3.45Å; D185-M187 WeakPolarHBondContact OD2-CG 3.43Å; M187-R193 HydrophobicContact CE-CB 3.91Å; M187-R193 HydrophobicContact CE-CG 3.72Å; M187-L196 HydrophobicContact CE-CB 4.07Å; M187-L196 HydrophobicContact CE-CD1 3.57Å; M187-L196 HydrophobicContact CE-CG 4.48Å; M187-L196 HydrophobicContact SD-CD1 3.54Å; M187-L196 VanDerWaalsContact SD-CD1 3.54Å; M187-L208 HydrophobicContact SD-CD2 4.41Å
188	G	78.7	Confident	79.6	Confident	21 Å²	21	87.4 Å²	87.4	22%	0.216	44%	0.444	C	S	.	.			trans	-89.5	-146.9	169	0	0	0	0	0	111.6	D192	G188-D192 PolarHBondContact N-OD2 2.94Å
189	D	81.1	Confident	79.8	Confident	140 Å²	140	87.1 Å²	87.1	75%	0.749	44%	0.444	S	S	*	.	S	Bend	trans	-64.6	173.3	173.7	-58.7	-58.9	0	0	0	112.9	E191 D192 R193	D189-E191 VanDerWaalsContact C-N 3.27Å; D189-E191 PolarHBondContact O-N 2.91Å; D189-D192 WeakPolarHBondContact O-CB 3.32Å; D189-D192 PolarHBondContact O-N 2.82Å; D189-R193 PolarHBondContact O-N 3.22Å
190	E	79.3	Confident	80.2	Confident	167 Å²	167	83.7 Å²	83.7	78%	0.78	43%	0.434	S	S	*	.	H	α-helix	trans	-56.6	-35.9	-175.1	-171.4	168.8	-154.9	0	0	113.8	R193 A194	E190-R193 PolarHBondContact O-N 2.74Å; E190-A194 PolarHBondContact O-N 2.95Å
191	E	79.8	Confident	80.4	Confident	167 Å²	167	90 Å²	90	78%	0.78	46%	0.463	S	S	*	.	H	α-helix	trans	-65.7	-36.6	174.9	-174.5	173.9	-163.7	0	0	112.5	D189 A194 R195	D189-E191 VanDerWaalsContact C-N 3.27Å; D189-E191 PolarHBondContact O-N 2.91Å; E191-A194 PolarHBondContact O-N 3.35Å; E191-R195 WeakPolarHBondContact O-CB 3.46Å; E191-R195 PolarHBondContact O-N 2.93Å
192	D	85.3	Confident	80.7	Confident	29 Å²	29	93.3 Å²	93.3	16%	0.155	46%	0.458	C	S	.	.	H	α-helix	trans	-70.9	-37.9	175.9	179.7	69.1	0	0	0	111.6	G188 D189 R195 L196 R211	G188-D192 PolarHBondContact N-OD2 2.94Å; D189-D192 WeakPolarHBondContact O-CB 3.32Å; D189-D192 PolarHBondContact O-N 2.82Å; D192-R195 PolarHBondContact O-N 3.03Å; D192-L196 WeakPolarHBondContact O-CB 3.36Å; D192-L196 WeakPolarHBondContact O-CG 3.28Å; D192-L196 PolarHBondContact O-N 2.87Å; D192-R211 VanDerWaalsContact CG-NH2 3.33Å; D192-R211 IonicContact OD1-CZ 2.7Å; D192-R211 IonicContact OD1-NH1 2.7Å; D192-R211 IonicContact OD1-NH2 3.56Å; D192-R211 PolarHBondContact OD1-NH2 2.89Å; D192-R211 IonicContact OD2-CZ 2.8Å; D192-R211 IonicContact OD2-NH1 2.78Å; D192-R211 PolarHBondContact OD2-NH1 2.88Å; D192-R211 IonicContact OD2-NH2 3.77Å; D192-R211 PolarHBondContact OD2-NH2 3.29Å
193	R	84.6	Confident	81	Confident	105 Å²	105	93.6 Å²	93.6	40%	0.396	46%	0.462	S	S	.	.	H	α-helix	trans	-61.5	-47.6	172.1	-179.1	171.6	-70	145.5	-2.6	111.5	D185 M187 D189 E190 R195 L196 E197	D185-R193 IonicContact OD2-NH2 2.74Å; D185-R193 PolarHBondContact OD2-NH2 2.88Å; M187-R193 HydrophobicContact CE-CB 3.91Å; M187-R193 HydrophobicContact CE-CG 3.72Å; D189-R193 PolarHBondContact O-N 3.22Å; E190-R193 PolarHBondContact O-N 2.74Å; R193-R195 VanDerWaalsContact C-N 3.33Å; R193-R195 PolarHBondContact O-N 3.46Å; R193-L196 PolarHBondContact O-N 3.44Å; R193-E197 PolarHBondContact O-N 2.84Å
194	A	85.3	Confident	81.6	Confident	41 Å²	41	96 Å²	96	34%	0.339	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-39.1	175.5	0	0	0	0	0	112.5	E190 E191 E197 Q198	E190-A194 PolarHBondContact O-N 2.95Å; E191-A194 PolarHBondContact O-N 3.35Å; A194-E197 PolarHBondContact O-N 3.33Å; A194-Q198 WeakPolarHBondContact O-CG 3.34Å; A194-Q198 PolarHBondContact O-N 2.88Å
195	R	84	Confident	82.2	Confident	133 Å²	133	93.3 Å²	93.3	50%	0.502	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-40.5	176.1	-176.6	175.7	172.5	-117.4	-13.9	112.4	E191 D192 R193 E197 Q198 M199	E191-R195 WeakPolarHBondContact O-CB 3.46Å; E191-R195 PolarHBondContact O-N 2.93Å; D192-R195 PolarHBondContact O-N 3.03Å; R193-R195 VanDerWaalsContact C-N 3.33Å; R193-R195 PolarHBondContact O-N 3.46Å; R195-E197 VanDerWaalsContact C-N 3.3Å; R195-E197 PolarHBondContact O-N 2.74Å; R195-Q198 PolarHBondContact O-N 2.94Å; R195-M199 WeakPolarHBondContact O-CG 3.12Å; R195-M199 PolarHBondContact O-N 3.39Å
196	L	81.1	Confident	82.7	Confident	2 Å²	2	94.6 Å²	94.6	1%	0.01	45%	0.452	C	S	.	.	H	α-helix	trans	-68.3	-27.7	175.8	-77.6	172.2	0	0	0	113.1	M187 D192 R193 R204 E207	M187-L196 HydrophobicContact CE-CB 4.07Å; M187-L196 HydrophobicContact CE-CD1 3.57Å; M187-L196 HydrophobicContact CE-CG 4.48Å; M187-L196 HydrophobicContact SD-CD1 3.54Å; M187-L196 VanDerWaalsContact SD-CD1 3.54Å; D192-L196 WeakPolarHBondContact O-CB 3.36Å; D192-L196 WeakPolarHBondContact O-CG 3.28Å; D192-L196 PolarHBondContact O-N 2.87Å; R193-L196 PolarHBondContact O-N 3.44Å; L196-R204 HydrophobicContact CB-CG 4.31Å; L196-R204 HydrophobicContact CD2-CG 4.2Å; L196-R204 VanDerWaalsContact O-CD 3.31Å; L196-R204 WeakPolarHBondContact O-CD 3.1Å; L196-R204 WeakPolarHBondContact O-CG 3.21Å; L196-E207 HydrophobicContact CD2-CB 3.82Å; L196-E207 HydrophobicContact CD2-CG 3.81Å
197	E	83.7	Confident	83.2	Confident	117 Å²	117	95.7 Å²	95.7	55%	0.547	46%	0.456	S	S	.	.	H	α-helix	trans	-78.3	-21	174.4	-76.9	169.6	-170.4	0	0	113.8	R193 A194 R195 R204	R193-E197 PolarHBondContact O-N 2.84Å; A194-E197 PolarHBondContact O-N 3.33Å; R195-E197 VanDerWaalsContact C-N 3.3Å; R195-E197 PolarHBondContact O-N 2.74Å; E197-R204 IonicContact OE1-NH2 2.66Å
198	Q	84.4	Confident	83.7	Confident	168 Å²	168	97 Å²	97	79%	0.785	46%	0.463	S	S	*	.	H	α-helix	trans	-88.8	-12.9	174.6	-69.2	174.5	30.2	0	0	114	A194 R195	A194-Q198 WeakPolarHBondContact O-CG 3.34Å; A194-Q198 PolarHBondContact O-N 2.88Å; R195-Q198 PolarHBondContact O-N 2.94Å
199	M	78.9	Confident	84.1	Confident	50 Å²	50	102.1 Å²	102.1	25%	0.246	48%	0.48	C	S	.	.	S	Bend	trans	-81.2	151.7	176.6	-66.1	-111.2	-74.6	0	0	111.1	R195 E203 E207	R195-M199 WeakPolarHBondContact O-CG 3.12Å; R195-M199 PolarHBondContact O-N 3.39Å; M199-E203 HydrophobicContact CB-CB 4.18Å; M199-E203 HydrophobicContact CE-CB 3.93Å; M199-E203 HydrophobicContact SD-CB 4.33Å; M199-E207 HydrophobicContact CE-CB 4.21Å
200	T	84.1	Confident	84.5	Confident	90 Å²	90	98.8 Å²	98.8	55%	0.552	46%	0.462	S	S	*	.			trans	-57.1	145.3	172.7	-44.7	0	0	0	0	109.7	K202 E203 R204	T200-K202 PolarHBondContact O-N 2.9Å; T200-K202 VanDerWaalsContact O-N 3.08Å; T200-E203 WeakPolarHBondContact CB-OE2 3.18Å; T200-E203 PolarHBondContact N-OE2 3.28Å; T200-E203 VanDerWaalsContact N-OE2 3.17Å; T200-E203 CarbonylContact O-C 3.54Å; T200-E203 WeakPolarHBondContact O-CA 3.2Å; T200-E203 WeakPolarHBondContact O-CB 3.37Å; T200-E203 PolarHBondContact O-N 2.81Å; T200-E203 PolarHBondContact OG1-OE2 3.41Å; T200-R204 PolarHBondContact O-N 2.86Å
201	E	85.1	Confident	84.9	Confident	164 Å²	164	91.2 Å²	91.2	77%	0.766	43%	0.426	S	S	*	.	H	α-helix	trans	-47.2	-45.4	-179.6	-63.9	175.5	150.8	0	0	112.7	E203 R204 E205	E201-E203 VanDerWaalsContact C-N 3.34Å; E201-E203 PolarHBondContact O-N 2.92Å; E201-R204 WeakPolarHBondContact O-CB 3.44Å; E201-R204 PolarHBondContact O-N 3.48Å; E201-E205 WeakPolarHBondContact O-CB 3.41Å; E201-E205 WeakPolarHBondContact O-CG 3.3Å; E201-E205 PolarHBondContact O-N 3.41Å
202	K	83	Confident	85.3	Confident	139 Å²	139	87.6 Å²	87.6	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-61.6	-34.8	175	-178.8	179.3	178	-178.4	0	114.4	T200 Q206	T200-K202 PolarHBondContact O-N 2.9Å; T200-K202 VanDerWaalsContact O-N 3.08Å; K202-Q206 WeakPolarHBondContact O-CB 3.22Å; K202-Q206 VanDerWaalsContact O-CG 3.25Å; K202-Q206 WeakPolarHBondContact O-CG 3.34Å; K202-Q206 PolarHBondContact O-N 3.36Å; K202-Q206 VanDerWaalsContact O-N 3.15Å
203	E	86.8	Confident	85.4	Confident	89 Å²	89	91.6 Å²	91.6	42%	0.416	43%	0.429	S	S	.	.	H	α-helix	trans	-78.6	-38.5	178.1	-64.3	172.9	132	0	0	110.4	M199 T200 E201 Q206 E207	M199-E203 HydrophobicContact CB-CB 4.18Å; M199-E203 HydrophobicContact CE-CB 3.93Å; M199-E203 HydrophobicContact SD-CB 4.33Å; T200-E203 WeakPolarHBondContact CB-OE2 3.18Å; T200-E203 PolarHBondContact N-OE2 3.28Å; T200-E203 VanDerWaalsContact N-OE2 3.17Å; T200-E203 CarbonylContact O-C 3.54Å; T200-E203 WeakPolarHBondContact O-CA 3.2Å; T200-E203 WeakPolarHBondContact O-CB 3.37Å; T200-E203 PolarHBondContact O-N 2.81Å; T200-E203 PolarHBondContact OG1-OE2 3.41Å; E201-E203 VanDerWaalsContact C-N 3.34Å; E201-E203 PolarHBondContact O-N 2.92Å; E203-Q206 PolarHBondContact O-N 3.48Å; E203-E207 WeakPolarHBondContact O-CB 3.5Å; E203-E207 PolarHBondContact O-N 3.1Å
204	R	88	Confident	85.6	Confident	83 Å²	83	92.1 Å²	92.1	31%	0.313	43%	0.434	S	S	.	.	H	α-helix	trans	-58.4	-48.2	170.4	-177.1	-176.3	-174.9	149.8	6	111.3	L196 E197 T200 E201 Q206 E207 L208	L196-R204 HydrophobicContact CB-CG 4.31Å; L196-R204 HydrophobicContact CD2-CG 4.2Å; L196-R204 VanDerWaalsContact O-CD 3.31Å; L196-R204 WeakPolarHBondContact O-CD 3.1Å; L196-R204 WeakPolarHBondContact O-CG 3.21Å; E197-R204 IonicContact OE1-NH2 2.66Å; T200-R204 PolarHBondContact O-N 2.86Å; E201-R204 WeakPolarHBondContact O-CB 3.44Å; E201-R204 PolarHBondContact O-N 3.48Å; R204-Q206 PolarHBondContact O-N 2.95Å; R204-E207 PolarHBondContact O-N 3.27Å; R204-L208 HydrophobicContact CG-CD1 4.19Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 WeakPolarHBondContact O-CG 3.32Å; R204-L208 PolarHBondContact O-N 3.3Å
205	E	87.1	Confident	85.8	Confident	136 Å²	136	92.7 Å²	92.7	64%	0.636	43%	0.428	S	S	*	.	H	α-helix	trans	-61.7	-39.2	174.7	-76.8	-177.1	167	0	0	112.7	E201 L208 F209	E201-E205 WeakPolarHBondContact O-CB 3.41Å; E201-E205 WeakPolarHBondContact O-CG 3.3Å; E201-E205 PolarHBondContact O-N 3.41Å; E205-L208 PolarHBondContact O-N 3.26Å; E205-F209 VanDerWaalsContact O-CB 3.32Å; E205-F209 WeakPolarHBondContact O-CB 3.26Å; E205-F209 PolarHBondContact O-N 2.87Å
206	Q	86.8	Confident	86	Confident	105 Å²	105	90.9 Å²	90.9	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-68.9	-41.1	176.7	-77.5	179.6	5.5	0	0	112.5	K202 E203 R204 F209 N210	K202-Q206 WeakPolarHBondContact O-CB 3.22Å; K202-Q206 VanDerWaalsContact O-CG 3.25Å; K202-Q206 WeakPolarHBondContact O-CG 3.34Å; K202-Q206 PolarHBondContact O-N 3.36Å; K202-Q206 VanDerWaalsContact O-N 3.15Å; E203-Q206 PolarHBondContact O-N 3.48Å; R204-Q206 PolarHBondContact O-N 2.95Å; Q206-F209 PolarHBondContact O-N 3Å; Q206-N210 WeakPolarHBondContact O-CB 3.23Å; Q206-N210 PolarHBondContact O-N 3.29Å; Q206-N210 PolarHBondContact O-ND2 3.06Å
207	E	84.7	Confident	86.4	Confident	49 Å²	49	95 Å²	95	23%	0.229	45%	0.45	C	S	.	.	H	α-helix	trans	-63.1	-42.4	174.8	-164.1	73.3	-127.3	0	0	110.7	L196 M199 E203 R204 N210 R211	L196-E207 HydrophobicContact CD2-CB 3.82Å; L196-E207 HydrophobicContact CD2-CG 3.81Å; M199-E207 HydrophobicContact CE-CB 4.21Å; E203-E207 WeakPolarHBondContact O-CB 3.5Å; E203-E207 PolarHBondContact O-N 3.1Å; R204-E207 PolarHBondContact O-N 3.27Å; E207-N210 PolarHBondContact O-N 2.62Å; E207-R211 VanDerWaalsContact O-CG 3.31Å; E207-R211 WeakPolarHBondContact O-CG 3.44Å; E207-R211 PolarHBondContact O-N 2.85Å; E207-R211 VanDerWaalsContact O-N 3.15Å
208	L	86.1	Confident	86.6	Confident	42 Å²	42	92.9 Å²	92.9	22%	0.22	44%	0.442	C	S	.	.	H	α-helix	trans	-62	-48	172.3	-81.7	161.2	0	0	0	112.5	L186 M187 R204 E205 N210 R211 I212	L186-L208 HydrophobicContact CB-CD2 4.03Å; M187-L208 HydrophobicContact SD-CD2 4.41Å; R204-L208 HydrophobicContact CG-CD1 4.19Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 WeakPolarHBondContact O-CG 3.32Å; R204-L208 PolarHBondContact O-N 3.3Å; E205-L208 PolarHBondContact O-N 3.26Å; L208-N210 VanDerWaalsContact C-N 3.33Å; L208-N210 PolarHBondContact O-N 2.65Å; L208-R211 WeakPolarHBondContact O-CA 3.45Å; L208-R211 WeakPolarHBondContact O-CB 3.45Å; L208-R211 PolarHBondContact O-N 3.13Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.49Å
209	F	87.7	Confident	86.8	Confident	128 Å²	128	90.2 Å²	90.2	56%	0.561	43%	0.428	S	S	*	.	H	α-helix	trans	-58.2	-44.6	177.3	-178.7	-90.3	0	0	0	112	E205 Q206 R211 I212 E213	E205-F209 VanDerWaalsContact O-CB 3.32Å; E205-F209 WeakPolarHBondContact O-CB 3.26Å; E205-F209 PolarHBondContact O-N 2.87Å; Q206-F209 PolarHBondContact O-N 3Å; F209-R211 PolarHBondContact O-N 3.01Å; F209-I212 PolarHBondContact O-N 2.92Å; F209-I212 VanDerWaalsContact O-N 3.11Å; F209-E213 PolarHBondContact O-N 3.04Å
210	N	88.6	Confident	87.2	Confident	71 Å²	71	94.8 Å²	94.8	38%	0.38	44%	0.443	S	S	.	.	H	α-helix	trans	-61.6	-28.5	175.6	-69.8	-30.2	0	0	0	112.5	Q206 E207 L208 K214	Q206-N210 WeakPolarHBondContact O-CB 3.23Å; Q206-N210 PolarHBondContact O-N 3.29Å; Q206-N210 PolarHBondContact O-ND2 3.06Å; E207-N210 PolarHBondContact O-N 2.62Å; L208-N210 VanDerWaalsContact C-N 3.33Å; L208-N210 PolarHBondContact O-N 2.65Å; N210-K214 WeakPolarHBondContact O-CD 3.49Å; N210-K214 WeakPolarHBondContact O-CG 3.48Å; N210-K214 PolarHBondContact O-N 2.92Å
211	R	87.6	Confident	87.4	Confident	7 Å²	7	99.4 Å²	99.4	3%	0.026	45%	0.45	C	S	.	.	H	α-helix	trans	-76.9	-39.3	172.3	-65.8	166.2	-167.1	-149.9	-2.8	112.1	Y182 L186 D192 E207 L208 F209 E213 K214 R215	Y182-R211 HydrophobicContact CE1-CG 4.29Å; L186-R211 HydrophobicContact CD2-CB 3.82Å; L186-R211 WeakPolarHBondContact O-CD 3.25Å; L186-R211 PolarHBondContact O-NH1 3.19Å; D192-R211 VanDerWaalsContact CG-NH2 3.33Å; D192-R211 IonicContact OD1-CZ 2.7Å; D192-R211 IonicContact OD1-NH1 2.7Å; D192-R211 IonicContact OD1-NH2 3.56Å; D192-R211 PolarHBondContact OD1-NH2 2.89Å; D192-R211 IonicContact OD2-CZ 2.8Å; D192-R211 IonicContact OD2-NH1 2.78Å; D192-R211 PolarHBondContact OD2-NH1 2.88Å; D192-R211 IonicContact OD2-NH2 3.77Å; D192-R211 PolarHBondContact OD2-NH2 3.29Å; E207-R211 VanDerWaalsContact O-CG 3.31Å; E207-R211 WeakPolarHBondContact O-CG 3.44Å; E207-R211 PolarHBondContact O-N 2.85Å; E207-R211 VanDerWaalsContact O-N 3.15Å; L208-R211 WeakPolarHBondContact O-CA 3.45Å; L208-R211 WeakPolarHBondContact O-CB 3.45Å; L208-R211 PolarHBondContact O-N 3.13Å; F209-R211 PolarHBondContact O-N 3.01Å; R211-E213 VanDerWaalsContact C-N 3.35Å; R211-E213 PolarHBondContact O-N 3.43Å; R211-K214 PolarHBondContact O-N 3.48Å; R211-R215 VanDerWaalsContact O-CB 3.27Å; R211-R215 WeakPolarHBondContact O-CB 3.47Å; R211-R215 PolarHBondContact O-N 3.36Å
212	I	87.7	Confident	87.6	Confident	91 Å²	91	93.8 Å²	93.8	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-57.9	-48.3	174.9	-63.2	170.6	0	0	0	110.2	L186 L208 F209 R215 E216	L186-I212 HydrophobicContact CD2-CB 4.26Å; L186-I212 HydrophobicContact CD2-CG1 3.55Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.49Å; F209-I212 PolarHBondContact O-N 2.92Å; F209-I212 VanDerWaalsContact O-N 3.11Å; I212-R215 PolarHBondContact O-N 3.5Å; I212-E216 PolarHBondContact O-N 3.38Å
213	E	87.7	Confident	88	Confident	114 Å²	114	91.3 Å²	91.3	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-43.5	179.2	-169.9	176	-152.1	0	0	111.8	F209 R211 E216 V217	F209-E213 PolarHBondContact O-N 3.04Å; R211-E213 VanDerWaalsContact C-N 3.35Å; R211-E213 PolarHBondContact O-N 3.43Å; E213-E216 PolarHBondContact O-N 2.94Å; E213-V217 WeakPolarHBondContact O-CB 3.24Å; E213-V217 WeakPolarHBondContact O-CG2 3.29Å; E213-V217 PolarHBondContact O-N 3.33Å
214	K	88.2	Confident	87.9	Confident	115 Å²	115	92.3 Å²	92.3	50%	0.5	42%	0.421	S	S	.	.	H	α-helix	trans	-59.9	-46.9	173.7	-74.8	169.5	-174.4	171.9	0	112.1	N210 R211 E216 V217 L218	N210-K214 WeakPolarHBondContact O-CD 3.49Å; N210-K214 WeakPolarHBondContact O-CG 3.48Å; N210-K214 PolarHBondContact O-N 2.92Å; R211-K214 PolarHBondContact O-N 3.48Å; K214-E216 VanDerWaalsContact C-N 3.34Å; K214-E216 PolarHBondContact O-N 3.39Å; K214-V217 PolarHBondContact O-N 2.9Å; K214-L218 WeakPolarHBondContact O-CB 3.41Å; K214-L218 VanDerWaalsContact O-CG 3.3Å; K214-L218 WeakPolarHBondContact O-CG 3.3Å; K214-L218 PolarHBondContact O-N 3.18Å
215	R	90	Very high	87.8	Confident	54 Å²	54	94.9 Å²	94.9	20%	0.204	43%	0.434	C	S	.	.	H	α-helix	trans	-58	-45.1	176.2	169.3	164.2	-86.5	-177.4	-1.3	110.6	F178 D180 Y182 G183 R211 I212 K219	F178-R215 HydrophobicContact CE1-CG 4.31Å; D180-R215 IonicContact OD1-CZ 3.73Å; D180-R215 IonicContact OD1-NE 3.38Å; D180-R215 IonicContact OD1-NH2 2.7Å; D180-R215 PolarHBondContact OD1-NH2 2.78Å; D180-R215 VanDerWaalsContact OD2-CB 3.3Å; D180-R215 WeakPolarHBondContact OD2-CB 3.36Å; D180-R215 VanDerWaalsContact OD2-CG 3.27Å; D180-R215 WeakPolarHBondContact OD2-CG 3.27Å; D180-R215 IonicContact OD2-CZ 2.63Å; D180-R215 IonicContact OD2-NE 2.69Å; D180-R215 PolarHBondContact OD2-NE 2.84Å; D180-R215 IonicContact OD2-NH2 3.64Å; Y182-R215 PolarHBondContact O-NH2 3.48Å; G183-R215 PolarHBondContact O-NH1 2.89Å; G183-R215 PolarHBondContact O-NH2 2.88Å; R211-R215 VanDerWaalsContact O-CB 3.27Å; R211-R215 WeakPolarHBondContact O-CB 3.47Å; R211-R215 PolarHBondContact O-N 3.36Å; I212-R215 PolarHBondContact O-N 3.5Å; R215-K219 WeakPolarHBondContact O-CB 3.28Å; R215-K219 PolarHBondContact O-N 3.46Å
216	E	88.6	Confident	87.9	Confident	94 Å²	94	92.2 Å²	92.2	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-67.5	-44.2	178.8	-147.6	-151.5	155.7	0	0	112.5	I212 E213 K214 L218 K219 R220	I212-E216 PolarHBondContact O-N 3.38Å; E213-E216 PolarHBondContact O-N 2.94Å; K214-E216 VanDerWaalsContact C-N 3.34Å; K214-E216 PolarHBondContact O-N 3.39Å; E216-L218 PolarHBondContact O-N 3.13Å; E216-K219 PolarHBondContact O-N 3.01Å; E216-R220 VanDerWaalsContact CD-NH2 3.34Å; E216-R220 WeakPolarHBondContact O-CB 3.46Å; E216-R220 VanDerWaalsContact O-CG 3.3Å; E216-R220 WeakPolarHBondContact O-CG 3.22Å; E216-R220 PolarHBondContact O-N 3.38Å; E216-R220 IonicContact OE1-CZ 3.06Å; E216-R220 IonicContact OE1-NE 3.08Å; E216-R220 PolarHBondContact OE1-NE 3.23Å; E216-R220 IonicContact OE1-NH2 3.93Å; E216-R220 PolarHBondContact OE1-NH2 3.02Å; E216-R220 IonicContact OE2-CZ 2.67Å; E216-R220 IonicContact OE2-NE 2.61Å; E216-R220 IonicContact OE2-NH2 3.62Å; E216-R220 PolarHBondContact OE2-NH2 3.03Å
217	V	88.8	Confident	88	Confident	90 Å²	90	93.2 Å²	93.2	55%	0.545	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-44.7	176.8	169	0	0	0	0	111.3	E213 K214 R221	E213-V217 WeakPolarHBondContact O-CB 3.24Å; E213-V217 WeakPolarHBondContact O-CG2 3.29Å; E213-V217 PolarHBondContact O-N 3.33Å; K214-V217 PolarHBondContact O-N 2.9Å; V217-R221 WeakPolarHBondContact O-CB 3.38Å; V217-R221 PolarHBondContact O-N 3.09Å
218	L	87.9	Confident	88.1	Confident	72 Å²	72	95.2 Å²	95.2	38%	0.377	44%	0.435	S	S	.	.	H	α-helix	trans	-66	-42	176.8	-73.1	173.6	0	0	0	111.7	F178 D180 K214 E216 R221 F222	F178-L218 VanDerWaalsContact CE2-C 3.42Å; F178-L218 HydrophobicContact CE2-CB 3.75Å; F178-L218 HydrophobicContact CZ-CB 3.6Å; D180-L218 HydrophobicContact CB-CD1 4.11Å; K214-L218 WeakPolarHBondContact O-CB 3.41Å; K214-L218 VanDerWaalsContact O-CG 3.3Å; K214-L218 WeakPolarHBondContact O-CG 3.3Å; K214-L218 PolarHBondContact O-N 3.18Å; E216-L218 PolarHBondContact O-N 3.13Å; L218-R221 WeakPolarHBondContact O-CB 3.24Å; L218-R221 PolarHBondContact O-N 3.38Å; L218-F222 WeakPolarHBondContact O-CB 3.46Å; L218-F222 PolarHBondContact O-N 2.98Å
219	K	88.5	Confident	88	Confident	112 Å²	112	98.2 Å²	98.2	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-65	-44.7	177.8	-170	169.8	-176.4	171.3	0	111.8	F178 R215 E216 R221 F222 E223	F178-K219 HydrophobicContact CD1-CB 4.45Å; F178-K219 HydrophobicContact CD1-CG 4.49Å; F178-K219 HydrophobicContact CE1-CB 4.1Å; F178-K219 HydrophobicContact CE2-CB 4.18Å; F178-K219 HydrophobicContact CZ-CB 3.95Å; R215-K219 WeakPolarHBondContact O-CB 3.28Å; R215-K219 PolarHBondContact O-N 3.46Å; E216-K219 PolarHBondContact O-N 3.01Å; K219-R221 PolarHBondContact O-N 3.03Å; K219-F222 PolarHBondContact O-N 3.4Å; K219-E223 PolarHBondContact O-N 3.18Å
220	R	88.7	Confident	87.8	Confident	145 Å²	145	95.3 Å²	95.3	55%	0.547	44%	0.439	S	S	.	.	H	α-helix	trans	-58.2	-44.9	170.9	-72.4	178.2	-177.4	-165.9	10.3	111.5	E216 F222 E223 I224	E216-R220 VanDerWaalsContact CD-NH2 3.34Å; E216-R220 WeakPolarHBondContact O-CB 3.46Å; E216-R220 VanDerWaalsContact O-CG 3.3Å; E216-R220 WeakPolarHBondContact O-CG 3.22Å; E216-R220 PolarHBondContact O-N 3.38Å; E216-R220 IonicContact OE1-CZ 3.06Å; E216-R220 IonicContact OE1-NE 3.08Å; E216-R220 PolarHBondContact OE1-NE 3.23Å; E216-R220 IonicContact OE1-NH2 3.93Å; E216-R220 PolarHBondContact OE1-NH2 3.02Å; E216-R220 IonicContact OE2-CZ 2.67Å; E216-R220 IonicContact OE2-NE 2.61Å; E216-R220 IonicContact OE2-NH2 3.62Å; E216-R220 PolarHBondContact OE2-NH2 3.03Å; R220-F222 PolarHBondContact O-N 2.87Å; R220-E223 PolarHBondContact O-N 2.91Å; R220-I224 WeakPolarHBondContact O-CD1 3.41Å; R220-I224 VanDerWaalsContact O-CG1 3.26Å; R220-I224 WeakPolarHBondContact O-CG1 3.34Å; R220-I224 PolarHBondContact O-N 2.88Å
221	R	88.4	Confident	87.8	Confident	187 Å²	187	94.5 Å²	94.5	71%	0.706	44%	0.442	S	S	*	.	H	α-helix	trans	-62.6	-40.4	176.8	-171.3	-177.7	-174.6	-161.3	3.1	111.8	V217 L218 K219 I224 K225	V217-R221 WeakPolarHBondContact O-CB 3.38Å; V217-R221 PolarHBondContact O-N 3.09Å; L218-R221 WeakPolarHBondContact O-CB 3.24Å; L218-R221 PolarHBondContact O-N 3.38Å; K219-R221 PolarHBondContact O-N 3.03Å; R221-I224 PolarHBondContact O-N 3.01Å; R221-K225 WeakPolarHBondContact O-CB 3.34Å; R221-K225 PolarHBondContact O-N 3.41Å
222	F	89.8	Confident	87.8	Confident	46 Å²	46	100.7 Å²	100.7	20%	0.202	47%	0.469	C	S	.	.	H	α-helix	trans	-66.7	-45.6	177.2	-176	-101.7	0	0	0	112.1	E176 F178 L218 K219 R220 I224 K225 K226	E176-F222 HydrophobicContact CB-CE2 4.35Å; E176-F222 HydrophobicContact CB-CZ 3.84Å; E176-F222 VanDerWaalsContact O-CZ 3.26Å; E176-F222 WeakPolarHBondContact O-CZ 3.23Å; F178-F222 HydrophobicContact CB-CD1 4.27Å; F178-F222 HydrophobicContact CD2-CB 3.78Å; F178-F222 HydrophobicContact CD2-CD1 4.24Å; F178-F222 AromaticContact CD2-CG 3.95Å; F178-F222 HydrophobicContact CD2-CG 3.95Å; F178-F222 HydrophobicContact CE2-CB 4.2Å; L218-F222 WeakPolarHBondContact O-CB 3.46Å; L218-F222 PolarHBondContact O-N 2.98Å; K219-F222 PolarHBondContact O-N 3.4Å; R220-F222 PolarHBondContact O-N 2.87Å; F222-I224 VanDerWaalsContact C-N 3.34Å; F222-I224 PolarHBondContact O-N 3.48Å; F222-K225 CarbonylContact O-C 3.55Å; F222-K225 WeakPolarHBondContact O-CB 3.35Å; F222-K225 PolarHBondContact O-N 2.9Å; F222-K225 VanDerWaalsContact O-N 3.14Å; F222-K226 HydrophobicContact CE1-CD 4.13Å; F222-K226 HydrophobicContact CZ-CD 4.48Å; F222-K226 PolarHBondContact O-N 2.94Å
223	E	89.5	Confident	87.7	Confident	88 Å²	88	100.9 Å²	100.9	41%	0.411	47%	0.467	S	S	.	.	H	α-helix	trans	-57.2	-45.7	172.8	-82.7	-168.4	-135.9	0	0	112.4	K219 R220 K225 K226 K227	K219-E223 PolarHBondContact O-N 3.18Å; R220-E223 PolarHBondContact O-N 2.91Å; E223-K225 VanDerWaalsContact C-N 3.32Å; E223-K225 PolarHBondContact O-N 3.44Å; E223-K226 PolarHBondContact O-N 3.27Å; E223-K227 WeakPolarHBondContact O-CB 3.45Å; E223-K227 WeakPolarHBondContact O-CD 3.16Å; E223-K227 VanDerWaalsContact O-CG 3.24Å; E223-K227 WeakPolarHBondContact O-CG 3.28Å; E223-K227 PolarHBondContact O-N 3.43Å; E223-K227 IonicContact OE2-NZ 3.54Å; E223-K227 PolarHBondContact OE2-NZ 2.88Å
224	I	85.8	Confident	87.6	Confident	109 Å²	109	103 Å²	103	56%	0.559	47%	0.474	S	S	*	.	H	α-helix	trans	-59.7	-45.1	175.9	-69	164	0	0	0	109.7	R220 R221 F222 K226 K227 L228	R220-I224 WeakPolarHBondContact O-CD1 3.41Å; R220-I224 VanDerWaalsContact O-CG1 3.26Å; R220-I224 WeakPolarHBondContact O-CG1 3.34Å; R220-I224 PolarHBondContact O-N 2.88Å; R221-I224 PolarHBondContact O-N 3.01Å; F222-I224 VanDerWaalsContact C-N 3.34Å; F222-I224 PolarHBondContact O-N 3.48Å; I224-K226 PolarHBondContact O-N 3.06Å; I224-K227 PolarHBondContact O-N 2.97Å; I224-L228 WeakPolarHBondContact O-CB 3.46Å; I224-L228 PolarHBondContact O-N 2.71Å
225	K	86.1	Confident	87.3	Confident	137 Å²	137	102.2 Å²	102.2	60%	0.596	47%	0.472	S	S	*	.	H	α-helix	trans	-59.7	-44.7	175.6	-167.9	-175.8	179.3	-169.8	0	111.9	R221 F222 E223 L228 K229	R221-K225 WeakPolarHBondContact O-CB 3.34Å; R221-K225 PolarHBondContact O-N 3.41Å; F222-K225 CarbonylContact O-C 3.55Å; F222-K225 WeakPolarHBondContact O-CB 3.35Å; F222-K225 PolarHBondContact O-N 2.9Å; F222-K225 VanDerWaalsContact O-N 3.14Å; E223-K225 VanDerWaalsContact C-N 3.32Å; E223-K225 PolarHBondContact O-N 3.44Å; K225-L228 PolarHBondContact O-N 3.18Å; K225-K229 VanDerWaalsContact O-CB 3.28Å; K225-K229 WeakPolarHBondContact O-CB 3.41Å; K225-K229 PolarHBondContact O-N 3.15Å
226	K	89.8	Confident	87	Confident	81 Å²	81	107.3 Å²	107.3	35%	0.352	50%	0.496	S	S	.	.	H	α-helix	trans	-66	-41	178.3	-161.9	160.6	-171.2	161.8	0	111.5	E174 E176 F222 E223 I224 T230	E174-K226 WeakPolarHBondContact O-CE 3.47Å; E174-K226 PolarHBondContact O-NZ 3.45Å; E176-K226 PolarHBondContact O-NZ 3.48Å; F222-K226 HydrophobicContact CE1-CD 4.13Å; F222-K226 HydrophobicContact CZ-CD 4.48Å; F222-K226 PolarHBondContact O-N 2.94Å; E223-K226 PolarHBondContact O-N 3.27Å; I224-K226 PolarHBondContact O-N 3.06Å; K226-T230 WeakPolarHBondContact O-CB 3.4Å; K226-T230 WeakPolarHBondContact O-CG2 3.39Å; K226-T230 PolarHBondContact O-N 3.25Å; K226-T230 PolarHBondContact O-OG1 3.44Å
227	K	87.8	Confident	86.8	Confident	126 Å²	126	109.4 Å²	109.4	55%	0.548	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-38.8	173.3	-71.5	161.1	178.6	165	0	112.1	E223 I224 T230 A231	E223-K227 WeakPolarHBondContact O-CB 3.45Å; E223-K227 WeakPolarHBondContact O-CD 3.16Å; E223-K227 VanDerWaalsContact O-CG 3.24Å; E223-K227 WeakPolarHBondContact O-CG 3.28Å; E223-K227 PolarHBondContact O-N 3.43Å; E223-K227 IonicContact OE2-NZ 3.54Å; E223-K227 PolarHBondContact OE2-NZ 2.88Å; I224-K227 PolarHBondContact O-N 2.97Å; K227-T230 WeakPolarHBondContact CA-OG1 3.21Å; K227-T230 PolarHBondContact O-OG1 2.62Å; K227-A231 WeakPolarHBondContact O-CB 3.47Å; K227-A231 PolarHBondContact O-N 2.63Å
228	L	86.1	Confident	86.4	Confident	90 Å²	90	110.3 Å²	110.3	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-76.3	-38.5	178.6	-140.6	163.7	0	0	0	112.5	I224 K225 A231 K232	I224-L228 WeakPolarHBondContact O-CB 3.46Å; I224-L228 PolarHBondContact O-N 2.71Å; K225-L228 PolarHBondContact O-N 3.18Å; L228-A231 PolarHBondContact O-N 3.12Å; L228-K232 HydrophobicContact CD2-CD 4.05Å; L228-K232 HydrophobicContact CD2-CG 4.23Å; L228-K232 PolarHBondContact O-N 3.41Å
229	K	85.5	Confident	86.1	Confident	105 Å²	105	112.7 Å²	112.7	46%	0.457	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-45.7	173.2	-166	-176.8	-172.3	-169.6	0	110.7	E176 K225 K233	E176-K229 IonicContact OE1-NZ 3.63Å; E176-K229 PolarHBondContact OE1-NZ 3.22Å; E176-K229 IonicContact OE2-NZ 2.62Å; E176-K229 PolarHBondContact OE2-NZ 3.46Å; E176-K229 VanDerWaalsContact OE2-NZ 3.08Å; K225-K229 VanDerWaalsContact O-CB 3.28Å; K225-K229 WeakPolarHBondContact O-CB 3.41Å; K225-K229 PolarHBondContact O-N 3.15Å; K229-K233 PolarHBondContact O-N 3.16Å
230	T	83.7	Confident	85.8	Confident	67 Å²	67	113.6 Å²	113.6	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-70.6	-37.3	177.2	50.9	0	0	0	0	113.2	K226 K227 K233 K234	K226-T230 WeakPolarHBondContact O-CB 3.4Å; K226-T230 WeakPolarHBondContact O-CG2 3.39Å; K226-T230 PolarHBondContact O-N 3.25Å; K226-T230 PolarHBondContact O-OG1 3.44Å; K227-T230 WeakPolarHBondContact CA-OG1 3.21Å; K227-T230 PolarHBondContact O-OG1 2.62Å; T230-K233 PolarHBondContact O-N 3.04Å; T230-K234 WeakPolarHBondContact O-CG 3.31Å; T230-K234 PolarHBondContact O-N 3.24Å
231	A	87.4	Confident	85.3	Confident	54 Å²	54	113.1 Å²	113.1	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-59.2	-48.3	172	0	0	0	0	0	111.9	K227 L228 K233 K234 E235	K227-A231 WeakPolarHBondContact O-CB 3.47Å; K227-A231 PolarHBondContact O-N 2.63Å; L228-A231 PolarHBondContact O-N 3.12Å; A231-K233 VanDerWaalsContact C-N 3.35Å; A231-K233 PolarHBondContact O-N 2.87Å; A231-K234 PolarHBondContact O-N 2.86Å; A231-E235 PolarHBondContact O-N 3.38Å
232	K	87.6	Confident	84.7	Confident	137 Å²	137	110.2 Å²	110.2	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-61.8	-38.1	174.9	-74	-178	173.7	-176.5	0	112.6	L228 E235 K236	L228-K232 HydrophobicContact CD2-CD 4.05Å; L228-K232 HydrophobicContact CD2-CG 4.23Å; L228-K232 PolarHBondContact O-N 3.41Å; K232-E235 PolarHBondContact O-N 3.25Å; K232-K236 WeakPolarHBondContact O-CB 3.12Å; K232-K236 PolarHBondContact O-N 2.83Å
233	K	85.9	Confident	84	Confident	95 Å²	95	114 Å²	114	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-39.2	174.4	-166.2	171.7	-178.6	175.2	0	111.5	E174 K229 T230 A231 K237	E174-K233 IonicContact OE1-NZ 3.2Å; E174-K233 PolarHBondContact OE1-NZ 3.41Å; K229-K233 PolarHBondContact O-N 3.16Å; T230-K233 PolarHBondContact O-N 3.04Å; A231-K233 VanDerWaalsContact C-N 3.35Å; A231-K233 PolarHBondContact O-N 2.87Å; K233-K237 WeakPolarHBondContact O-CG 3.42Å; K233-K237 PolarHBondContact O-N 3.24Å
234	K	85.7	Confident	83.3	Confident	159 Å²	159	115.1 Å²	115.1	69%	0.691	53%	0.531	S	S	*	.	H	α-helix	trans	-67.5	-50.2	174	-73.1	-180	178.6	-178.2	0	112.2	T230 A231 K236 K237 E238	T230-K234 WeakPolarHBondContact O-CG 3.31Å; T230-K234 PolarHBondContact O-N 3.24Å; A231-K234 PolarHBondContact O-N 2.86Å; K234-K236 VanDerWaalsContact C-N 3.34Å; K234-K236 PolarHBondContact O-N 2.98Å; K234-K237 PolarHBondContact O-N 3.35Å; K234-K237 VanDerWaalsContact O-N 3.12Å; K234-E238 PolarHBondContact O-N 2.96Å
235	E	82.1	Confident	82.7	Confident	98 Å²	98	113.9 Å²	113.9	46%	0.458	52%	0.523	S	S	.	.	H	α-helix	trans	-59.2	-42.8	-179.4	-165.2	-157.1	145.6	0	0	112.2	A231 K232 K237 E238 K239	A231-E235 PolarHBondContact O-N 3.38Å; K232-E235 PolarHBondContact O-N 3.25Å; E235-K237 PolarHBondContact O-N 2.78Å; E235-E238 PolarHBondContact O-N 3.5Å; E235-K239 HydrophobicContact CG-CD 4.44Å; E235-K239 WeakPolarHBondContact O-CB 3.37Å; E235-K239 WeakPolarHBondContact O-CG 3.21Å; E235-K239 PolarHBondContact O-N 3.2Å; E235-K239 VanDerWaalsContact OE1-CE 3.25Å; E235-K239 WeakPolarHBondContact OE1-CE 3.4Å; E235-K239 IonicContact OE1-NZ 3.16Å; E235-K239 PolarHBondContact OE1-NZ 3.5Å
236	K	84.5	Confident	81.9	Confident	161 Å²	161	112.8 Å²	112.8	70%	0.7	52%	0.52	S	S	*	.	H	α-helix	trans	-64.9	-36.7	176.6	-165.9	176.3	-177.7	-177.1	0	112.2	K232 K234 K240	K232-K236 WeakPolarHBondContact O-CB 3.12Å; K232-K236 PolarHBondContact O-N 2.83Å; K234-K236 VanDerWaalsContact C-N 3.34Å; K234-K236 PolarHBondContact O-N 2.98Å; K236-K240 PolarHBondContact O-N 3.02Å; K236-K240 VanDerWaalsContact O-N 3.14Å
237	K	83.5	Confident	80.8	Confident	139 Å²	139	114.6 Å²	114.6	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-68.8	-41.2	173.4	-77.8	-170.1	175	-168.9	0	112.2	K233 K234 E235 K240 K241	K233-K237 WeakPolarHBondContact O-CG 3.42Å; K233-K237 PolarHBondContact O-N 3.24Å; K234-K237 PolarHBondContact O-N 3.35Å; K234-K237 VanDerWaalsContact O-N 3.12Å; E235-K237 PolarHBondContact O-N 2.78Å; K237-K240 PolarHBondContact O-N 2.89Å; K237-K241 PolarHBondContact O-N 2.76Å
238	E	80.7	Confident	79.7	Confident	109 Å²	109	115.1 Å²	115.1	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-40	177.5	-162.2	-169.5	136.8	0	0	112	K234 E235 K241 K242	K234-E238 PolarHBondContact O-N 2.96Å; E235-E238 PolarHBondContact O-N 3.5Å; E238-K241 PolarHBondContact O-N 3.28Å; E238-K242 HydrophobicContact CG-CD 4.4Å; E238-K242 WeakPolarHBondContact O-CB 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.33Å; E238-K242 PolarHBondContact O-N 2.92Å; E238-K242 VanDerWaalsContact OE1-CE 3.3Å; E238-K242 WeakPolarHBondContact OE1-CE 3.48Å; E238-K242 IonicContact OE1-NZ 2.76Å; E238-K242 PolarHBondContact OE1-NZ 2.93Å
239	K	81.1	Confident	78.5	Confident	121 Å²	121	116.8 Å²	116.8	53%	0.526	54%	0.538	S	S	.	.	H	α-helix	trans	-61.7	-44.1	173.5	-79	174.7	168.6	173.1	0	112.4	E235 Q243	E235-K239 HydrophobicContact CG-CD 4.44Å; E235-K239 WeakPolarHBondContact O-CB 3.37Å; E235-K239 WeakPolarHBondContact O-CG 3.21Å; E235-K239 PolarHBondContact O-N 3.2Å; E235-K239 VanDerWaalsContact OE1-CE 3.25Å; E235-K239 WeakPolarHBondContact OE1-CE 3.4Å; E235-K239 IonicContact OE1-NZ 3.16Å; E235-K239 PolarHBondContact OE1-NZ 3.5Å; K239-Q243 WeakPolarHBondContact O-CG 3.49Å; K239-Q243 PolarHBondContact O-N 2.96Å
240	K	81.9	Confident	77.3	Confident	132 Å²	132	117.4 Å²	117.4	57%	0.574	54%	0.54	S	S	*	.	H	α-helix	trans	-58.5	-53.1	171.7	-90.6	-161.2	170.5	-166.5	0	111.7	K236 K237 K242 Q243 E244	K236-K240 PolarHBondContact O-N 3.02Å; K236-K240 VanDerWaalsContact O-N 3.14Å; K237-K240 PolarHBondContact O-N 2.89Å; K240-K242 VanDerWaalsContact C-N 3.29Å; K240-K242 PolarHBondContact O-N 3.36Å; K240-Q243 WeakPolarHBondContact O-CA 3.38Å; K240-Q243 WeakPolarHBondContact O-CB 3.4Å; K240-Q243 PolarHBondContact O-N 3.06Å; K240-E244 PolarHBondContact O-N 2.99Å
241	K	78.9	Confident	76	Confident	135 Å²	135	121.3 Å²	121.3	59%	0.587	55%	0.551	S	S	*	*	H	α-helix	trans	-61.4	-35.7	-175.6	-163.8	177.1	-176.9	-176.1	0	113	K237 E238 E244 E245	K237-K241 PolarHBondContact O-N 2.76Å; E238-K241 PolarHBondContact O-N 3.28Å; K241-E244 PolarHBondContact O-N 3.34Å; K241-E245 PolarHBondContact O-N 3.35Å
242	K	75.7	Confident	74.5	Confident	125 Å²	125	125.6 Å²	125.6	54%	0.543	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-37.7	172.9	-78.9	172.8	169.9	170.6	0	112.8	E238 K240 E246	E238-K242 HydrophobicContact CG-CD 4.4Å; E238-K242 WeakPolarHBondContact O-CB 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.33Å; E238-K242 PolarHBondContact O-N 2.92Å; E238-K242 VanDerWaalsContact OE1-CE 3.3Å; E238-K242 WeakPolarHBondContact OE1-CE 3.48Å; E238-K242 IonicContact OE1-NZ 2.76Å; E238-K242 PolarHBondContact OE1-NZ 2.93Å; K240-K242 VanDerWaalsContact C-N 3.29Å; K240-K242 PolarHBondContact O-N 3.36Å; K242-E246 WeakPolarHBondContact O-CB 3.28Å; K242-E246 PolarHBondContact O-N 2.9Å; K242-E246 VanDerWaalsContact O-N 3.16Å
243	Q	74.3	Confident	72.9	Confident	125 Å²	125	124.5 Å²	124.5	58%	0.584	57%	0.571	S	S	*	*	H	α-helix	trans	-70.1	-38.2	175.5	-72.1	177.4	-24	0	0	112.3	K239 K240 E246 Q247	K239-Q243 WeakPolarHBondContact O-CG 3.49Å; K239-Q243 PolarHBondContact O-N 2.96Å; K240-Q243 WeakPolarHBondContact O-CA 3.38Å; K240-Q243 WeakPolarHBondContact O-CB 3.4Å; K240-Q243 PolarHBondContact O-N 3.06Å; Q243-E246 PolarHBondContact O-N 3.33Å; Q243-Q247 WeakPolarHBondContact O-CG 3.4Å; Q243-Q247 PolarHBondContact O-N 3.49Å; Q243-Q247 VanDerWaalsContact O-N 3.12Å
244	E	75.8	Confident	71.3	Confident	112 Å²	112	128 Å²	128	52%	0.523	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-51.1	175.8	-71.6	162.1	168	0	0	111.1	K240 K241 E246 Q247 E248	K240-E244 PolarHBondContact O-N 2.99Å; K241-E244 PolarHBondContact O-N 3.34Å; E244-E246 VanDerWaalsContact C-N 3.28Å; E244-E246 PolarHBondContact O-N 3.43Å; E244-Q247 PolarHBondContact O-N 3.33Å; E244-E248 PolarHBondContact O-N 3.19Å
245	E	72.3	Confident	69.8	Low	84 Å²	84	127.6 Å²	127.6	39%	0.393	59%	0.593	S	S	.	*	H	α-helix	trans	-57.1	-38.5	175	-88	-167.6	-142.9	0	0	112.9	K241 Q247 K249	K241-E245 PolarHBondContact O-N 3.35Å; E245-Q247 VanDerWaalsContact C-N 3.31Å; E245-Q247 PolarHBondContact O-N 2.69Å; E245-K249 WeakPolarHBondContact O-CB 3.48Å; E245-K249 WeakPolarHBondContact O-CD 3.42Å; E245-K249 VanDerWaalsContact O-CG 3.23Å; E245-K249 WeakPolarHBondContact O-CG 3.47Å; E245-K249 PolarHBondContact O-N 2.62Å; E245-K249 VanDerWaalsContact O-N 3.07Å; E245-K249 IonicContact OE2-NZ 3.72Å; E245-K249 PolarHBondContact OE2-NZ 2.7Å
246	E	69.3	Low	68	Low	113 Å²	113	130.9 Å²	130.9	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-73.4	-22.7	179.6	-147.2	-163.6	139.2	0	0	112.7	K242 Q243 E244 K250	K242-E246 WeakPolarHBondContact O-CB 3.28Å; K242-E246 PolarHBondContact O-N 2.9Å; K242-E246 VanDerWaalsContact O-N 3.16Å; Q243-E246 PolarHBondContact O-N 3.33Å; E244-E246 VanDerWaalsContact C-N 3.28Å; E244-E246 PolarHBondContact O-N 3.43Å; E246-K250 VanDerWaalsContact O-CD 3.22Å; E246-K250 WeakPolarHBondContact O-CD 3.49Å; E246-K250 WeakPolarHBondContact O-CE 3.34Å; E246-K250 VanDerWaalsContact O-CG 3.24Å; E246-K250 WeakPolarHBondContact O-CG 3.33Å; E246-K250 VanDerWaalsContact OE1-CE 3.28Å; E246-K250 WeakPolarHBondContact OE1-CE 3.47Å; E246-K250 IonicContact OE1-NZ 2.65Å; E246-K250 PolarHBondContact OE1-NZ 2.9Å
247	Q	66.6	Low	65.9	Low	119 Å²	119	130.9 Å²	130.9	56%	0.556	61%	0.61	S	S	*	*	H	α-helix	trans	-80.6	-43.3	171.7	-72.7	-170.2	32	0	0	112.2	Q243 E244 E245 K249 K250 K251	Q243-Q247 WeakPolarHBondContact O-CG 3.4Å; Q243-Q247 PolarHBondContact O-N 3.49Å; Q243-Q247 VanDerWaalsContact O-N 3.12Å; E244-Q247 PolarHBondContact O-N 3.33Å; E245-Q247 VanDerWaalsContact C-N 3.31Å; E245-Q247 PolarHBondContact O-N 2.69Å; Q247-K249 PolarHBondContact O-N 3.31Å; Q247-K250 PolarHBondContact O-N 3.2Å; Q247-K251 PolarHBondContact O-N 2.61Å
248	E	64.8	Low	63.6	Low	138 Å²	138	128.7 Å²	128.7	65%	0.645	61%	0.613	S	S	*	*	H	α-helix	trans	-60.3	-45.5	175.9	-70.8	-167.1	133	0	0	111.6	E244 K250 K251 L252	E244-E248 PolarHBondContact O-N 3.19Å; E248-K250 PolarHBondContact O-N 3.08Å; E248-K251 PolarHBondContact O-N 3.48Å; E248-K251 VanDerWaalsContact O-N 3.08Å; E248-L252 WeakPolarHBondContact O-CB 3.49Å; E248-L252 PolarHBondContact O-N 3.37Å
249	K	62.4	Low	61.7	Low	125 Å²	125	131.7 Å²	131.7	54%	0.543	63%	0.627	S	S	.	*	H	α-helix	trans	-63.5	-22.3	178.5	-71.6	165.9	-176.1	170.2	0	113.3	E245 Q247 T253	E245-K249 WeakPolarHBondContact O-CB 3.48Å; E245-K249 WeakPolarHBondContact O-CD 3.42Å; E245-K249 VanDerWaalsContact O-CG 3.23Å; E245-K249 WeakPolarHBondContact O-CG 3.47Å; E245-K249 PolarHBondContact O-N 2.62Å; E245-K249 VanDerWaalsContact O-N 3.07Å; E245-K249 IonicContact OE2-NZ 3.72Å; E245-K249 PolarHBondContact OE2-NZ 2.7Å; Q247-K249 PolarHBondContact O-N 3.31Å; K249-T253 WeakPolarHBondContact O-CG2 3.34Å; K249-T253 PolarHBondContact O-OG1 2.83Å
250	K	59.6	Low	59.5	Low	118 Å²	118	131.2 Å²	131.2	51%	0.513	63%	0.634	S	S	.	*	H	α-helix	trans	-85.9	-32.1	172.9	-72.2	169.8	-168.4	164.7	0	113.2	E246 Q247 E248 T253	E246-K250 VanDerWaalsContact O-CD 3.22Å; E246-K250 WeakPolarHBondContact O-CD 3.49Å; E246-K250 WeakPolarHBondContact O-CE 3.34Å; E246-K250 VanDerWaalsContact O-CG 3.24Å; E246-K250 WeakPolarHBondContact O-CG 3.33Å; E246-K250 VanDerWaalsContact OE1-CE 3.28Å; E246-K250 WeakPolarHBondContact OE1-CE 3.47Å; E246-K250 IonicContact OE1-NZ 2.65Å; E246-K250 PolarHBondContact OE1-NZ 2.9Å; Q247-K250 PolarHBondContact O-N 3.2Å; E248-K250 PolarHBondContact O-N 3.08Å; K250-T253 PolarHBondContact O-OG1 3.33Å
251	K	56.1	Low	57.5	Low	148 Å²	148	131.4 Å²	131.4	64%	0.643	65%	0.646	S	S	*	*	H	α-helix	trans	-73.7	-40.8	175	-72.2	178.8	178	177	0	112.1	Q247 E248 T253	Q247-K251 PolarHBondContact O-N 2.61Å; E248-K251 PolarHBondContact O-N 3.48Å; E248-K251 VanDerWaalsContact O-N 3.08Å; K251-T253 VanDerWaalsContact C-N 3.27Å; K251-T253 PolarHBondContact O-N 3.47Å
252	L	55.7	Low	55.9	Low	145 Å²	145	129.7 Å²	129.7	76%	0.759	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-18.5	-177.1	-158.5	69.2	0	0	0	113.6	E248	E248-L252 WeakPolarHBondContact O-CB 3.49Å; E248-L252 PolarHBondContact O-N 3.37Å
253	T	54.3	Low	54.5	Low	114 Å²	114	130.4 Å²	130.4	70%	0.699	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	4.8	-177.6	42.7	0	0	0	0	114.7	K249 K250 K251	K249-T253 WeakPolarHBondContact O-CG2 3.34Å; K249-T253 PolarHBondContact O-OG1 2.83Å; K250-T253 PolarHBondContact O-OG1 3.33Å; K251-T253 VanDerWaalsContact C-N 3.27Å; K251-T253 PolarHBondContact O-N 3.47Å
254	Q	51.7	Low	53.5	Low	169 Å²	169	131.5 Å²	131.5	79%	0.79	67%	0.666	S	S	*	*	S	Bend	trans	-107.3	1.4	-175	-157.8	171.7	1.7	0	0	114.4
255	I	53.7	Low	52.5	Low	149 Å²	149	134.9 Å²	134.9	76%	0.764	68%	0.679	S	S	*	*	S	Bend	trans	-112.9	-16.9	-168.3	-67.6	174.2	0	0	0	113.8
256	Q	46	Very low	51.5	Low	167 Å²	167	135 Å²	135	78%	0.78	68%	0.68	S	S	*	*	S	Bend	trans	-100.1	116	178.5	-76.3	-177	-42.6	0	0	112.6
257	E	40.5	Very low	50.7	Low	161 Å²	161	139.5 Å²	139.5	75%	0.752	69%	0.692	S	S	*	*			trans	28.2	116.9	136.9	-64.7	167.3	120.1	0	0	117.1
258	S	35.1	Very low	50	Low	93 Å²	93	143 Å²	143	65%	0.65	70%	0.7	S	S	*	*				61.6	128.4	55.6	108.8	0	0	0	0	113.8
259	Q	39	Very low	49.6	Very low	172 Å²	172	139.5 Å²	139.5	80%	0.804	69%	0.691	S	S	*	*			trans	79.1	152.2	178.4	-48	-166.7	20.9	0	0	118.8
260	V	36.6	Very low	49.4	Very low	112 Å²	112	139.6 Å²	139.6	68%	0.679	69%	0.691	S	S	*	*			trans	50.9	86.9	156.9	-65.8	0	0	0	0	122.3
261	T	38.4	Very low	49.1	Very low	136 Å²	136	142.6 Å²	142.6	83%	0.834	70%	0.699	S	S	*	*				46	76.7	119	59.1	0	0	0	0	120.2
262	S	46.2	Very low	49	Very low	99 Å²	99	139 Å²	139	69%	0.692	69%	0.687	S	S	*	*			trans	-157.5	-10.3	157.5	-143.7	0	0	0	0	118.4	N264	S262-N264 VanDerWaalsContact C-N 3.27Å; S262-N264 PolarHBondContact O-N 3.24Å
263	H	46	Very low	49.2	Very low	140 Å²	140	136.1 Å²	136.1	65%	0.648	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-0	-156.5	-67.4	-55	0	0	0	120.1
264	N	53.8	Low	49.5	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-20.8	-177.1	-146.2	2.1	0	0	0	113.9	S262	S262-N264 VanDerWaalsContact C-N 3.27Å; S262-N264 PolarHBondContact O-N 3.24Å
265	K	55	Low	49.9	Very low	183 Å²	183	135.8 Å²	135.8	80%	0.796	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-36.1	-179.8	-160.8	164.3	-175.5	175.4	0	113.1	R267 R268 S269	K265-R267 PolarHBondContact O-N 2.96Å; K265-R268 PolarHBondContact O-N 3.47Å; K265-S269 PolarHBondContact O-N 3.48Å
266	E	51.3	Low	50.5	Low	88 Å²	88	132.8 Å²	132.8	41%	0.411	65%	0.646	S	S	.	*	H	α-helix	trans	-70.1	-31.8	-176.2	-157.7	-164.7	147.6	0	0	113.5	R268 S269 K270	E266-R268 VanDerWaalsContact C-N 3.3Å; E266-R268 PolarHBondContact O-N 3.14Å; E266-S269 PolarHBondContact O-N 3.48Å; E266-K270 PolarHBondContact O-N 3.26Å; E266-K270 WeakPolarHBondContact OE1-CE 3.33Å; E266-K270 IonicContact OE1-NZ 3.56Å; E266-K270 PolarHBondContact OE1-NZ 2.84Å
267	R	51.9	Low	51.6	Low	206 Å²	206	130.8 Å²	130.8	78%	0.777	63%	0.634	S	S	*	*	H	α-helix	trans	-76.3	-13.3	-178.8	-59.9	-173.3	80	177.8	6.5	114	K265	K265-R267 PolarHBondContact O-N 2.96Å
268	R	52.8	Low	53.2	Low	194 Å²	194	130.6 Å²	130.6	73%	0.732	63%	0.631	S	S	*	*	H	α-helix	trans	-79.6	-56.1	162.3	-88.6	-176.3	166.4	169.8	-4.6	110.1	K265 E266 K270 R271 D272	K265-R268 PolarHBondContact O-N 3.47Å; E266-R268 VanDerWaalsContact C-N 3.3Å; E266-R268 PolarHBondContact O-N 3.14Å; R268-K270 VanDerWaalsContact C-N 3.33Å; R268-K270 PolarHBondContact O-N 3.47Å; R268-K270 VanDerWaalsContact O-N 3.14Å; R268-R271 WeakPolarHBondContact O-CA 3.45Å; R268-R271 WeakPolarHBondContact O-CB 3.45Å; R268-R271 PolarHBondContact O-N 3.32Å; R268-D272 VanDerWaalsContact O-CG 3.23Å; R268-D272 PolarHBondContact O-N 2.85Å; R268-D272 VanDerWaalsContact O-OD2 3.04Å
269	S	55.2	Low	55.1	Low	64 Å²	64	128.8 Å²	128.8	45%	0.448	62%	0.618	S	S	.	*	H	α-helix	trans	-44.1	-51.2	177.5	168.2	0	0	0	0	113.6	K265 E266 R271 D272 E273	K265-S269 PolarHBondContact O-N 3.48Å; E266-S269 PolarHBondContact O-N 3.48Å; S269-R271 PolarHBondContact O-N 3.02Å; S269-D272 PolarHBondContact O-N 3.26Å; S269-E273 WeakPolarHBondContact O-CB 3.46Å; S269-E273 PolarHBondContact O-N 3.03Å
270	K	58.8	Low	56.9	Low	127 Å²	127	126 Å²	126	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-70.5	-7.7	179.7	-77.7	173.9	172.6	168.1	0	115.9	E266 R268	E266-K270 PolarHBondContact O-N 3.26Å; E266-K270 WeakPolarHBondContact OE1-CE 3.33Å; E266-K270 IonicContact OE1-NZ 3.56Å; E266-K270 PolarHBondContact OE1-NZ 2.84Å; R268-K270 VanDerWaalsContact C-N 3.33Å; R268-K270 PolarHBondContact O-N 3.47Å; R268-K270 VanDerWaalsContact O-N 3.14Å
271	R	52.9	Low	58.8	Low	181 Å²	181	123.1 Å²	123.1	68%	0.683	59%	0.593	S	S	*	*	H	α-helix	trans	-94	-45.6	167.5	169.8	173.9	-79.1	148.3	-6.4	110.5	R268 S269 K274 L275	R268-R271 WeakPolarHBondContact O-CA 3.45Å; R268-R271 WeakPolarHBondContact O-CB 3.45Å; R268-R271 PolarHBondContact O-N 3.32Å; S269-R271 PolarHBondContact O-N 3.02Å; R271-K274 PolarHBondContact O-N 3.02Å; R271-K274 VanDerWaalsContact O-N 3.13Å; R271-L275 PolarHBondContact O-N 3.03Å
272	D	55.5	Low	60.5	Low	72 Å²	72	122.7 Å²	122.7	39%	0.385	58%	0.584	S	S	.	*	H	α-helix	trans	-64.5	-43.7	-177.8	-52.9	-32.7	0	0	0	110	R268 S269 K274 L275 D276	R268-D272 VanDerWaalsContact O-CG 3.23Å; R268-D272 PolarHBondContact O-N 2.85Å; R268-D272 VanDerWaalsContact O-OD2 3.04Å; S269-D272 PolarHBondContact O-N 3.26Å; D272-K274 PolarHBondContact O-N 3.37Å; D272-K274 VanDerWaalsContact O-N 3.09Å; D272-L275 CarbonylContact O-C 3.58Å; D272-L275 WeakPolarHBondContact O-CA 3.34Å; D272-L275 PolarHBondContact O-N 3.29Å; D272-D276 PolarHBondContact O-N 3.42Å
273	E	59.3	Low	62.1	Low	85 Å²	85	124.4 Å²	124.4	40%	0.397	58%	0.581	S	S	.	*	H	α-helix	trans	-56.5	-28.1	173.3	-167	-157.5	151.9	0	0	113.5	S269 K277	S269-E273 WeakPolarHBondContact O-CB 3.46Å; S269-E273 PolarHBondContact O-N 3.03Å; E273-K277 HydrophobicContact CG-CD 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.35Å; E273-K277 WeakPolarHBondContact O-CD 3.23Å; E273-K277 VanDerWaalsContact O-CG 3.28Å; E273-K277 WeakPolarHBondContact O-CG 3.47Å; E273-K277 PolarHBondContact O-N 3.29Å; E273-K277 VanDerWaalsContact O-N 3.12Å; E273-K277 IonicContact OE1-NZ 2.66Å; E273-K277 PolarHBondContact OE1-NZ 3.42Å
274	K	61.1	Low	63.7	Low	166 Å²	166	124.4 Å²	124.4	72%	0.722	58%	0.581	S	S	*	*	H	α-helix	trans	-85.3	-17	175.6	-91.9	-169.7	173.5	-175.3	0	113.8	R271 D272	R271-K274 PolarHBondContact O-N 3.02Å; R271-K274 VanDerWaalsContact O-N 3.13Å; D272-K274 PolarHBondContact O-N 3.37Å; D272-K274 VanDerWaalsContact O-N 3.09Å
275	L	60	Low	64.8	Low	110 Å²	110	122 Å²	122	58%	0.576	57%	0.568	S	S	*	*	H	α-helix	trans	-86.7	-41.7	169.5	-64.9	174.4	0	0	0	109.8	R271 D272 K277 K278 S279	R271-L275 PolarHBondContact O-N 3.03Å; D272-L275 CarbonylContact O-C 3.58Å; D272-L275 WeakPolarHBondContact O-CA 3.34Å; D272-L275 PolarHBondContact O-N 3.29Å; L275-K277 PolarHBondContact O-N 3.48Å; L275-K278 CarbonylContact O-C 3.55Å; L275-K278 WeakPolarHBondContact O-CA 3.36Å; L275-K278 PolarHBondContact O-N 3.32Å; L275-S279 PolarHBondContact O-N 3.38Å
276	D	65.2	Low	66.2	Low	85 Å²	85	120.6 Å²	120.6	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-58.3	-44.4	173.3	-73.9	-23.2	0	0	0	112.1	D272 K278 S279 Q280	D272-D276 PolarHBondContact O-N 3.42Å; D276-K278 PolarHBondContact O-N 2.9Å; D276-S279 WeakPolarHBondContact CA-OG 3.42Å; D276-S279 PolarHBondContact O-N 3.48Å; D276-S279 PolarHBondContact O-OG 3.12Å; D276-Q280 VanDerWaalsContact O-CB 3.25Å; D276-Q280 WeakPolarHBondContact O-CB 3.35Å; D276-Q280 VanDerWaalsContact O-CG 3.26Å; D276-Q280 WeakPolarHBondContact O-CG 3.08Å; D276-Q280 PolarHBondContact O-N 3.14Å
277	K	70.3	Confident	67.6	Low	125 Å²	125	118.4 Å²	118.4	54%	0.543	56%	0.559	S	S	.	*	H	α-helix	trans	-64.1	-11.5	174.4	-76.9	170.5	177.2	172.6	0	114.3	E273 L275	E273-K277 HydrophobicContact CG-CD 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.35Å; E273-K277 WeakPolarHBondContact O-CD 3.23Å; E273-K277 VanDerWaalsContact O-CG 3.28Å; E273-K277 WeakPolarHBondContact O-CG 3.47Å; E273-K277 PolarHBondContact O-N 3.29Å; E273-K277 VanDerWaalsContact O-N 3.12Å; E273-K277 IonicContact OE1-NZ 2.66Å; E273-K277 PolarHBondContact OE1-NZ 3.42Å; L275-K277 PolarHBondContact O-N 3.48Å
278	K	73.2	Confident	68.9	Low	157 Å²	157	113.2 Å²	113.2	68%	0.683	54%	0.543	S	S	*	.	H	α-helix	trans	-103.9	-29	173.2	-165.8	176	179.8	-174.7	0	113	L275 D276 M282	L275-K278 CarbonylContact O-C 3.55Å; L275-K278 WeakPolarHBondContact O-CA 3.36Å; L275-K278 PolarHBondContact O-N 3.32Å; D276-K278 PolarHBondContact O-N 2.9Å; K278-M282 WeakPolarHBondContact O-CG 3.49Å; K278-M282 PolarHBondContact O-N 2.98Å
279	S	74.9	Confident	70.2	Confident	55 Å²	55	112.6 Å²	112.6	39%	0.385	54%	0.541	S	S	.	.	H	α-helix	trans	-70	-47.9	168.8	59.4	0	0	0	0	110.4	L275 D276 A281 M282 E283	L275-S279 PolarHBondContact O-N 3.38Å; D276-S279 WeakPolarHBondContact CA-OG 3.42Å; D276-S279 PolarHBondContact O-N 3.48Å; D276-S279 PolarHBondContact O-OG 3.12Å; S279-A281 PolarHBondContact O-N 2.97Å; S279-M282 CarbonylContact O-C 3.6Å; S279-M282 WeakPolarHBondContact O-CA 3.34Å; S279-M282 WeakPolarHBondContact O-CB 3.5Å; S279-M282 PolarHBondContact O-N 2.97Å; S279-E283 WeakPolarHBondContact O-CB 3.4Å; S279-E283 PolarHBondContact O-N 3.27Å
280	Q	77.3	Confident	71.4	Confident	113 Å²	113	115.2 Å²	115.2	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-55.2	-47.5	175.6	-71	173.9	1.2	0	0	111.5	D276 M282 E283 E284	D276-Q280 VanDerWaalsContact O-CB 3.25Å; D276-Q280 WeakPolarHBondContact O-CB 3.35Å; D276-Q280 VanDerWaalsContact O-CG 3.26Å; D276-Q280 WeakPolarHBondContact O-CG 3.08Å; D276-Q280 PolarHBondContact O-N 3.14Å; Q280-M282 VanDerWaalsContact C-N 3.27Å; Q280-M282 PolarHBondContact O-N 3.22Å; Q280-E283 PolarHBondContact O-N 2.98Å; Q280-E284 WeakPolarHBondContact O-CB 3.44Å; Q280-E284 PolarHBondContact O-N 3.38Å
281	A	76.7	Confident	72.4	Confident	52 Å²	52	115 Å²	115	43%	0.43	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-27.1	177.2	0	0	0	0	0	114	S279 L285	S279-A281 PolarHBondContact O-N 2.97Å; A281-L285 VanDerWaalsContact O-CB 3.31Å; A281-L285 WeakPolarHBondContact O-CB 3.31Å; A281-L285 PolarHBondContact O-N 3.26Å
282	M	73.7	Confident	73.6	Confident	127 Å²	127	113.6 Å²	113.6	63%	0.626	54%	0.54	S	S	*	.	H	α-helix	trans	-81.8	-35.7	173.8	-82.1	-73.1	-66.1	0	0	112.5	K278 S279 Q280 K286	K278-M282 WeakPolarHBondContact O-CG 3.49Å; K278-M282 PolarHBondContact O-N 2.98Å; S279-M282 CarbonylContact O-C 3.6Å; S279-M282 WeakPolarHBondContact O-CA 3.34Å; S279-M282 WeakPolarHBondContact O-CB 3.5Å; S279-M282 PolarHBondContact O-N 2.97Å; Q280-M282 VanDerWaalsContact C-N 3.27Å; Q280-M282 PolarHBondContact O-N 3.22Å; M282-K286 VanDerWaalsContact O-CB 3.28Å; M282-K286 WeakPolarHBondContact O-CB 3.45Å; M282-K286 PolarHBondContact O-N 3.03Å
283	E	79	Confident	74.7	Confident	135 Å²	135	117.6 Å²	117.6	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-74.7	-40	179.2	-173.1	159.1	-144.4	0	0	111.3	S279 Q280 K286 A287	S279-E283 WeakPolarHBondContact O-CB 3.4Å; S279-E283 PolarHBondContact O-N 3.27Å; Q280-E283 PolarHBondContact O-N 2.98Å; E283-K286 PolarHBondContact O-N 3.47Å; E283-A287 VanDerWaalsContact O-CB 3.28Å; E283-A287 WeakPolarHBondContact O-CB 3.44Å; E283-A287 PolarHBondContact O-N 3.47Å
284	E	79.6	Confident	75.6	Confident	141 Å²	141	118.2 Å²	118.2	66%	0.659	56%	0.56	S	S	*	*	H	α-helix	trans	-60.4	-47.9	170.1	-175.4	170.2	-142.2	0	0	111.1	Q280 K286 A287 E288	Q280-E284 WeakPolarHBondContact O-CB 3.44Å; Q280-E284 PolarHBondContact O-N 3.38Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 3.43Å; E284-A287 PolarHBondContact O-N 3.07Å; E284-E288 WeakPolarHBondContact O-CB 3.41Å; E284-E288 PolarHBondContact O-N 3.06Å
285	L	78.2	Confident	76.3	Confident	97 Å²	97	119 Å²	119	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-63.5	-33.3	175.7	-169	153.4	0	0	0	112.4	A281 R289	A281-L285 VanDerWaalsContact O-CB 3.31Å; A281-L285 WeakPolarHBondContact O-CB 3.31Å; A281-L285 PolarHBondContact O-N 3.26Å; L285-R289 WeakPolarHBondContact O-CB 3.5Å; L285-R289 PolarHBondContact O-N 2.92Å; L285-R289 VanDerWaalsContact O-N 3.07Å
286	K	82.7	Confident	76.9	Confident	152 Å²	152	117.5 Å²	117.5	66%	0.661	55%	0.554	S	S	*	*	H	α-helix	trans	-71.9	-44.7	175.4	-164.8	-178.8	-177.9	-167.6	0	111.5	M282 E283 E284 E288 R289 E290	M282-K286 VanDerWaalsContact O-CB 3.28Å; M282-K286 WeakPolarHBondContact O-CB 3.45Å; M282-K286 PolarHBondContact O-N 3.03Å; E283-K286 PolarHBondContact O-N 3.47Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 3.43Å; K286-E288 VanDerWaalsContact C-N 3.34Å; K286-R289 WeakPolarHBondContact O-CB 3.3Å; K286-R289 PolarHBondContact O-N 3.34Å; K286-E290 WeakPolarHBondContact O-CB 3.38Å; K286-E290 PolarHBondContact O-N 3.12Å
287	A	81.4	Confident	77.4	Confident	43 Å²	43	116 Å²	116	36%	0.355	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-35.4	175.7	0	0	0	0	0	112.1	E283 E284 E290 K291	E283-A287 VanDerWaalsContact O-CB 3.28Å; E283-A287 WeakPolarHBondContact O-CB 3.44Å; E283-A287 PolarHBondContact O-N 3.47Å; E284-A287 PolarHBondContact O-N 3.07Å; A287-E290 PolarHBondContact O-N 3.18Å; A287-K291 WeakPolarHBondContact O-CB 3.48Å; A287-K291 WeakPolarHBondContact O-CG 3.38Å; A287-K291 PolarHBondContact O-N 3.02Å
288	E	80.4	Confident	77.6	Confident	96 Å²	96	114.8 Å²	114.8	45%	0.449	55%	0.549	S	S	.	.	H	α-helix	trans	-73.7	-35.3	176.1	-156.9	56.5	-135	0	0	111.5	E284 K286 E290 K291 R292	E284-E288 WeakPolarHBondContact O-CB 3.41Å; E284-E288 PolarHBondContact O-N 3.06Å; K286-E288 VanDerWaalsContact C-N 3.34Å; E288-E290 VanDerWaalsContact C-N 3.32Å; E288-E290 PolarHBondContact O-N 3.5Å; E288-K291 WeakPolarHBondContact OE2-CD 3.27Å; E288-K291 IonicContact OE2-NZ 2.64Å; E288-K291 PolarHBondContact OE2-NZ 2.87Å; E288-R292 VanDerWaalsContact O-CB 3.27Å; E288-R292 WeakPolarHBondContact O-CB 3.25Å; E288-R292 PolarHBondContact O-N 2.91Å
289	R	80	Confident	77.4	Confident	182 Å²	182	112.6 Å²	112.6	69%	0.687	54%	0.544	S	S	*	.	H	α-helix	trans	-62.2	-38.1	166.6	-88.2	-178	164.2	173.3	-4	112.6	L285 K286 R292 K293	L285-R289 WeakPolarHBondContact O-CB 3.5Å; L285-R289 PolarHBondContact O-N 2.92Å; L285-R289 VanDerWaalsContact O-N 3.07Å; K286-R289 WeakPolarHBondContact O-CB 3.3Å; K286-R289 PolarHBondContact O-N 3.34Å; R289-R292 PolarHBondContact O-N 2.93Å; R289-K293 PolarHBondContact O-N 2.94Å
290	E	78.6	Confident	77.1	Confident	119 Å²	119	116 Å²	116	56%	0.556	56%	0.558	S	S	*	*	H	α-helix	trans	-73.3	-41.8	178.9	-168.5	152.8	-137.9	0	0	112	K286 A287 E288 R292 K293 N294	K286-E290 WeakPolarHBondContact O-CB 3.38Å; K286-E290 PolarHBondContact O-N 3.12Å; A287-E290 PolarHBondContact O-N 3.18Å; E288-E290 VanDerWaalsContact C-N 3.32Å; E288-E290 PolarHBondContact O-N 3.5Å; E290-R292 PolarHBondContact O-N 2.99Å; E290-K293 PolarHBondContact O-N 3.4Å; E290-N294 WeakPolarHBondContact O-CB 3.26Å; E290-N294 VanDerWaalsContact O-CG 3.31Å; E290-N294 PolarHBondContact O-N 3.08Å
291	K	81.5	Confident	76.6	Confident	122 Å²	122	113.4 Å²	113.4	53%	0.53	56%	0.556	S	S	.	*	H	α-helix	trans	-57.8	-44.9	166.4	-76.6	177	-166.9	161	0	111.9	A287 E288 K293 N294 R295	A287-K291 WeakPolarHBondContact O-CB 3.48Å; A287-K291 WeakPolarHBondContact O-CG 3.38Å; A287-K291 PolarHBondContact O-N 3.02Å; E288-K291 WeakPolarHBondContact OE2-CD 3.27Å; E288-K291 IonicContact OE2-NZ 2.64Å; E288-K291 PolarHBondContact OE2-NZ 2.87Å; K291-K293 PolarHBondContact O-N 3.34Å; K291-N294 PolarHBondContact O-N 3.17Å; K291-R295 WeakPolarHBondContact O-CB 3.46Å; K291-R295 PolarHBondContact O-N 2.95Å
292	R	77.1	Confident	76	Confident	152 Å²	152	118.1 Å²	118.1	57%	0.574	57%	0.566	S	S	*	*	H	α-helix	trans	-63.2	-42.3	179.3	-166.8	167.9	178.6	173.8	-2.8	110.6	E288 R289 E290 T296	E288-R292 VanDerWaalsContact O-CB 3.27Å; E288-R292 WeakPolarHBondContact O-CB 3.25Å; E288-R292 PolarHBondContact O-N 2.91Å; R289-R292 PolarHBondContact O-N 2.93Å; E290-R292 PolarHBondContact O-N 2.99Å; R292-T296 WeakPolarHBondContact O-CG2 3.48Å; R292-T296 PolarHBondContact O-N 3.16Å; R292-T296 PolarHBondContact O-OG1 2.74Å; R292-T296 VanDerWaalsContact O-OG1 3.13Å
293	K	78.7	Confident	75.2	Confident	155 Å²	155	120.1 Å²	120.1	67%	0.674	57%	0.572	S	S	*	*	H	α-helix	trans	-58.9	-54.7	169.8	-93.8	-171.6	168.9	-171.1	0	112.2	R289 E290 K291 R295 T296 A297	R289-K293 PolarHBondContact O-N 2.94Å; E290-K293 PolarHBondContact O-N 3.4Å; K291-K293 PolarHBondContact O-N 3.34Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 2.79Å; K293-T296 WeakPolarHBondContact CA-OG1 3.32Å; K293-T296 PolarHBondContact O-N 2.86Å; K293-T296 VanDerWaalsContact O-N 3.11Å; K293-T296 PolarHBondContact O-OG1 3.47Å; K293-A297 WeakPolarHBondContact O-CB 3.43Å; K293-A297 PolarHBondContact O-N 3.05Å
294	N	77.1	Confident	73.9	Confident	99 Å²	99	120.1 Å²	120.1	53%	0.529	57%	0.572	S	S	.	*	H	α-helix	trans	-63.9	-37.2	-176.4	-71.2	-0.8	0	0	0	111.6	E290 K291 A297 E298	E290-N294 WeakPolarHBondContact O-CB 3.26Å; E290-N294 VanDerWaalsContact O-CG 3.31Å; E290-N294 PolarHBondContact O-N 3.08Å; K291-N294 PolarHBondContact O-N 3.17Å; N294-A297 PolarHBondContact O-N 2.92Å; N294-E298 VanDerWaalsContact O-CB 3.23Å; N294-E298 WeakPolarHBondContact O-CB 3.38Å; N294-E298 PolarHBondContact O-N 3.45Å
295	R	75.8	Confident	72.3	Confident	183 Å²	183	119 Å²	119	69%	0.691	58%	0.576	S	S	*	*	H	α-helix	trans	-67	-36.7	173.9	-164.2	175.2	-171.2	-178.9	2.7	112.1	K291 K293 L299	K291-R295 WeakPolarHBondContact O-CB 3.46Å; K291-R295 PolarHBondContact O-N 2.95Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 2.79Å; R295-L299 WeakPolarHBondContact O-CB 3.45Å; R295-L299 WeakPolarHBondContact O-CD1 3.39Å; R295-L299 VanDerWaalsContact O-CG 3.22Å; R295-L299 WeakPolarHBondContact O-CG 3.27Å; R295-L299 PolarHBondContact O-N 3.25Å
296	T	72.9	Confident	70.8	Confident	78 Å²	78	121 Å²	121	48%	0.479	59%	0.587	S	S	.	*	H	α-helix	trans	-69.4	-38.1	170.6	52.3	0	0	0	0	112.8	R292 K293 L299 L300	R292-T296 WeakPolarHBondContact O-CG2 3.48Å; R292-T296 PolarHBondContact O-N 3.16Å; R292-T296 PolarHBondContact O-OG1 2.74Å; R292-T296 VanDerWaalsContact O-OG1 3.13Å; K293-T296 WeakPolarHBondContact CA-OG1 3.32Å; K293-T296 PolarHBondContact O-N 2.86Å; K293-T296 VanDerWaalsContact O-N 3.11Å; K293-T296 PolarHBondContact O-OG1 3.47Å; T296-L299 PolarHBondContact O-N 2.72Å; T296-L300 WeakPolarHBondContact O-CB 3.16Å; T296-L300 PolarHBondContact O-N 3.46Å
297	A	76.4	Confident	68.9	Low	53 Å²	53	120.8 Å²	120.8	44%	0.438	59%	0.586	S	S	.	*	H	α-helix	trans	-68.9	-38.8	176.9	0	0	0	0	0	111.9	K293 N294 L300 A301	K293-A297 WeakPolarHBondContact O-CB 3.43Å; K293-A297 PolarHBondContact O-N 3.05Å; N294-A297 PolarHBondContact O-N 2.92Å; A297-L300 CarbonylContact O-C 3.54Å; A297-L300 PolarHBondContact O-N 2.85Å; A297-A301 VanDerWaalsContact O-CB 3.31Å; A297-A301 WeakPolarHBondContact O-CB 3.4Å; A297-A301 PolarHBondContact O-N 3.44Å
298	E	75.2	Confident	67.5	Low	100 Å²	100	125.9 Å²	125.9	47%	0.467	61%	0.613	S	S	.	*	H	α-helix	trans	-67.5	-39.6	174.5	-167.1	-163.9	150.3	0	0	111.2	N294 L300 A301 K302	N294-E298 VanDerWaalsContact O-CB 3.23Å; N294-E298 WeakPolarHBondContact O-CB 3.38Å; N294-E298 PolarHBondContact O-N 3.45Å; E298-L300 VanDerWaalsContact C-N 3.28Å; E298-L300 PolarHBondContact O-N 3.49Å; E298-A301 PolarHBondContact O-N 2.89Å; E298-K302 HydrophobicContact CG-CD 4.2Å; E298-K302 VanDerWaalsContact O-CB 3.26Å; E298-K302 WeakPolarHBondContact O-CB 3.24Å; E298-K302 WeakPolarHBondContact O-CG 3.33Å; E298-K302 PolarHBondContact O-N 3.05Å; E298-K302 VanDerWaalsContact OE1-CE 3.29Å; E298-K302 WeakPolarHBondContact OE1-CE 3.49Å; E298-K302 IonicContact OE1-NZ 2.72Å; E298-K302 PolarHBondContact OE1-NZ 3.21Å
299	L	68.4	Low	66.3	Low	110 Å²	110	125.8 Å²	125.8	58%	0.576	62%	0.623	S	S	*	*	H	α-helix	trans	-67.6	-25.9	172.3	-75.1	169.2	0	0	0	113.1	R295 T296 K303	R295-L299 WeakPolarHBondContact O-CB 3.45Å; R295-L299 WeakPolarHBondContact O-CD1 3.39Å; R295-L299 VanDerWaalsContact O-CG 3.22Å; R295-L299 WeakPolarHBondContact O-CG 3.27Å; R295-L299 PolarHBondContact O-N 3.25Å; T296-L299 PolarHBondContact O-N 2.72Å; L299-K303 WeakPolarHBondContact O-CG 3.48Å
300	L	67.8	Low	64.9	Low	128 Å²	128	124 Å²	124	67%	0.67	62%	0.622	S	S	*	*	H	α-helix	trans	-80.3	-35.5	170.5	-87.5	154.8	0	0	0	112.3	T296 A297 E298 K303	T296-L300 WeakPolarHBondContact O-CB 3.16Å; T296-L300 PolarHBondContact O-N 3.46Å; A297-L300 CarbonylContact O-C 3.54Å; A297-L300 PolarHBondContact O-N 2.85Å; E298-L300 VanDerWaalsContact C-N 3.28Å; E298-L300 PolarHBondContact O-N 3.49Å; L300-K303 CarbonylContact O-C 3.53Å; L300-K303 WeakPolarHBondContact O-CB 3.48Å; L300-K303 PolarHBondContact O-N 3.01Å
301	A	66.9	Low	63.7	Low	58 Å²	58	123.3 Å²	123.3	48%	0.479	63%	0.626	S	S	.	*	H	α-helix	trans	-78.6	-31	178.9	0	0	0	0	0	113.2	A297 E298 Q304	A297-A301 VanDerWaalsContact O-CB 3.31Å; A297-A301 WeakPolarHBondContact O-CB 3.4Å; A297-A301 PolarHBondContact O-N 3.44Å; E298-A301 PolarHBondContact O-N 2.89Å; A301-Q304 PolarHBondContact O-NE2 2.75Å
302	K	64	Low	62.3	Low	150 Å²	150	128.9 Å²	128.9	65%	0.652	65%	0.645	S	S	*	*	S	Bend	trans	-71.8	-18.9	167.9	-76.8	177.6	167.9	170	0	112.3	E298 Q304	E298-K302 HydrophobicContact CG-CD 4.2Å; E298-K302 VanDerWaalsContact O-CB 3.26Å; E298-K302 WeakPolarHBondContact O-CB 3.24Å; E298-K302 WeakPolarHBondContact O-CG 3.33Å; E298-K302 PolarHBondContact O-N 3.05Å; E298-K302 VanDerWaalsContact OE1-CE 3.29Å; E298-K302 WeakPolarHBondContact OE1-CE 3.49Å; E298-K302 IonicContact OE1-NZ 2.72Å; E298-K302 PolarHBondContact OE1-NZ 3.21Å; K302-Q304 PolarHBondContact O-N 3.17Å
303	K	57.9	Low	60.4	Low	170 Å²	170	127.2 Å²	127.2	74%	0.739	66%	0.657	S	S	*	*			trans	-79.3	61.9	159.5	-73.8	-173.5	173.9	-164.8	0	110.5	L299 L300	L299-K303 WeakPolarHBondContact O-CG 3.48Å; L300-K303 CarbonylContact O-C 3.53Å; L300-K303 WeakPolarHBondContact O-CB 3.48Å; L300-K303 PolarHBondContact O-N 3.01Å
304	Q	50.7	Low	58.6	Low	135 Å²	135	127.7 Å²	127.7	63%	0.631	67%	0.667	S	S	*	*			trans	-55.2	147.8	158.8	-70.3	-61.2	-55.2	0	0	109.3	A301 K302 L306	A301-Q304 PolarHBondContact O-NE2 2.75Å; K302-Q304 PolarHBondContact O-N 3.17Å; Q304-L306 PolarHBondContact O-N 2.94Å
305	P	46.6	Very low	57	Low	116 Å²	116	130.2 Å²	130.2	75%	0.753	68%	0.68	S	S	*	*			trans	-68.2	95.3	173.6	28.7	-33.2	0	0	0	109.2	K307	P305-K307 PolarHBondContact O-N 2.74Å
306	L	47.2	Very low	55.4	Low	141 Å²	141	129.1 Å²	129.1	74%	0.738	68%	0.683	S	S	*	*			trans	-55.4	122.8	175.8	-74	166.8	0	0	0	109.6	Q304	Q304-L306 PolarHBondContact O-N 2.94Å
307	K	43.5	Very low	54	Low	147 Å²	147	133.3 Å²	133.3	64%	0.639	70%	0.697	S	S	*	*			trans	-70.8	138.8	173.9	-64.7	171.5	-173.6	167	0	108	P305 S309	P305-K307 PolarHBondContact O-N 2.74Å; K307-S309 PolarHBondContact O-N 3.24Å
308	T	51.5	Low	52.2	Low	149 Å²	149	139.1 Å²	139.1	91%	0.914	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	39.6	-173.1	61.7	0	0	0	0	112.9
309	S	53.9	Low	50.9	Low	94 Å²	94	143.9 Å²	143.9	66%	0.657	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	-2.4	-173.8	55.9	0	0	0	0	113.5	K307	K307-S309 PolarHBondContact O-N 3.24Å
310	E	50.6	Low	49.4	Very low	146 Å²	146	147.3 Å²	147.3	68%	0.682	75%	0.751	S	S	*	*	S	Bend	trans	-124.7	24.9	-173.5	-64.3	169.7	141.8	0	0	111.4
311	V	55.1	Low	48.3	Very low	104 Å²	104	148.7 Å²	148.7	63%	0.63	76%	0.758	S	S	*	*	S	Bend	trans	-128.2	29	-174.3	-154.2	0	0	0	0	111.9
312	Y	51.7	Low	47	Very low	239 Å²	239	151.8 Å²	151.8	94%	0.937	77%	0.767	S	S	*	*	S	Bend	trans	-148.4	65.2	174.8	-96.2	-81.6	0	0	0	109.4
313	S	36.8	Very low	46	Very low	116 Å²	116	152.3 Å²	152.3	81%	0.811	77%	0.769	S	S	*	*			trans	-165.6	151.7	166.6	-158.8	0	0	0	0	109.4
314	D	40.3	Very low	45.1	Very low	166 Å²	166	148.7 Å²	148.7	89%	0.888	77%	0.765	S	S	*	*			trans	70.1	91.7	169.8	-116.8	29.6	0	0	0	116.7
315	D	44.6	Very low	44.5	Very low	151 Å²	151	147.2 Å²	147.2	81%	0.807	77%	0.77	S	S	*	*			trans	-154.9	151	138.2	-137.4	-1.2	0	0	0	109.9
316	E	42.3	Very low	44.2	Very low	160 Å²	160	150.9 Å²	150.9	75%	0.748	78%	0.777	S	S	*	*			trans	-47.6	159.3	-174	-68.7	157.2	179.2	0	0	116.2
317	E	43.2	Very low	43.8	Very low	166 Å²	166	153.5 Å²	153.5	78%	0.776	78%	0.783	S	S	*	*			cis	-161.2	-171.6	13.6	-129.3	167.4	-170.5	0	0	113
318	E	39.1	Very low	43.7	Very low	175 Å²	175	152 Å²	152	82%	0.818	79%	0.791	S	S	*	*			trans	-26.4	135.8	-177.9	-58.2	177.2	149.5	0	0	122.5
319	E	46	Very low	43.1	Very low	200 Å²	200	152.1 Å²	152.1	94%	0.935	79%	0.785	S	S	*	*				-170.3	167.4	108.7	-109.6	-174.8	-179.6	0	0	112.5
320	E	38.4	Very low	42.7	Very low	183 Å²	183	158.9 Å²	158.9	86%	0.855	80%	0.797	S	S	*	*			trans	-106.4	142.3	-168	-53.9	-178.1	121.5	0	0	113.8
321	D	44.5	Very low	42.2	Very low	156 Å²	156	156.9 Å²	156.9	83%	0.834	80%	0.799	S	S	*	*				177.7	103.1	129.7	-107.5	-23.9	0	0	0	115.5
322	D	39.7	Very low	41.5	Very low	124 Å²	124	156 Å²	156	66%	0.663	80%	0.797	S	S	*	*				46.8	150.8	124.3	-144	8.2	0	0	0	125.8
323	K	41.8	Very low	41.1	Very low	161 Å²	161	155.7 Å²	155.7	70%	0.7	79%	0.794	S	S	*	*			trans	66.1	109.9	165.7	-63.5	179.3	-171.3	76.2	0	119.2
324	S	39.2	Very low	41.4	Very low	93 Å²	93	156 Å²	156	65%	0.65	79%	0.791	S	S	*	*			cis	96.6	101.9	49	74.7	0	0	0	0	115.3
325	S	37.5	Very low	41.3	Very low	105 Å²	105	153.1 Å²	153.1	73%	0.734	78%	0.784	S	S	*	*			trans	30.2	137.8	133.3	61.6	0	0	0	0	122
326	E	40.5	Very low	41	Very low	193 Å²	193	151.1 Å²	151.1	90%	0.902	78%	0.782	S	S	*	*				-169.6	-176.7	103.6	-103.5	-166.6	138.2	0	0	113.8
327	K	39.9	Very low	40.7	Very low	196 Å²	196	148 Å²	148	85%	0.852	78%	0.778	S	S	*	*			trans	-114.7	161.6	-171.5	-51.6	167.5	-175.1	168.5	0	111.6
328	S	41.9	Very low	40.7	Very low	116 Å²	116	146.7 Å²	146.7	81%	0.811	78%	0.776	S	S	*	*				178.3	149.3	124.5	37.9	0	0	0	0	114.5
329	D	38.6	Very low	40.9	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	78%	0.776	S	S	*	*			trans	-80	159.3	177.4	-46.2	-105.9	0	0	0	113.5
330	R	43.9	Very low	40.6	Very low	237 Å²	237	146.4 Å²	146.4	89%	0.894	78%	0.775	S	S	*	*			trans	-158.5	112.5	152.1	-107	147.1	-159.1	-134.2	3.4	114.9
331	S	41.8	Very low	40.8	Very low	103 Å²	103	146.9 Å²	146.9	72%	0.72	78%	0.777	S	S	*	*			trans	-8.5	154.2	139.7	56.5	0	0	0	0	119.4
332	S	40.5	Very low	40.8	Very low	86 Å²	86	149 Å²	149	60%	0.601	78%	0.782	S	S	*	*			cis	174.7	167.7	-7.6	57.6	0	0	0	0	111.3
333	R	43.5	Very low	40.8	Very low	233 Å²	233	152.1 Å²	152.1	88%	0.879	79%	0.79	S	S	*	*			trans	73.3	150.3	163.3	-59.4	166.1	172.9	168.5	-2.8	115.1
334	T	41.3	Very low	41	Very low	122 Å²	122	153.7 Å²	153.7	75%	0.748	80%	0.8	S	S	*	*			cis	-141.6	155	11.5	36.4	0	0	0	0	114.2
335	S	38.7	Very low	41.3	Very low	106 Å²	106	157.7 Å²	157.7	74%	0.741	81%	0.808	S	S	*	*			trans	-8.4	160.7	143.7	53.4	0	0	0	0	120.8
336	S	38.1	Very low	41.9	Very low	108 Å²	108	160 Å²	160	76%	0.755	81%	0.811	S	S	*	*			cis	-176.2	176.8	-3.1	172.2	0	0	0	0	109.2
337	S	37.6	Very low	42.5	Very low	96 Å²	96	155.9 Å²	155.9	67%	0.671	80%	0.8	S	S	*	*			trans	71.7	149.9	169.8	-76.3	0	0	0	0	117.1
338	D	43.2	Very low	43	Very low	137 Å²	137	152.1 Å²	152.1	73%	0.733	80%	0.796	S	S	*	*			cis	-156.3	-178.8	-24	-123.9	-44.6	0	0	0	111.4
339	E	41.9	Very low	43.5	Very low	172 Å²	172	156.7 Å²	156.7	80%	0.804	80%	0.801	S	S	*	*			trans	-39.1	139.2	175.9	-61.8	173.6	163.2	0	0	117
340	E	40.8	Very low	44.7	Very low	197 Å²	197	151 Å²	151	92%	0.921	77%	0.773	S	S	*	*				-171.7	173.3	106.3	-103.7	-174	-151.1	0	0	112.6
341	E	42.3	Very low	46.4	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	76%	0.764	S	S	*	*			trans	-85.8	123	-172.6	-57.7	179.1	116	0	0	113.6
342	E	43.6	Very low	48.4	Very low	202 Å²	202	145.6 Å²	145.6	94%	0.944	75%	0.753	S	S	*	*			trans	-125.2	149.3	160.2	-72	-151.9	118.3	0	0	113.2
343	K	40.7	Very low	50.6	Low	188 Å²	188	141.5 Å²	141.5	82%	0.817	73%	0.725	S	S	*	*			trans	-79.3	166.3	-155.6	-66	153.4	-175.7	148.1	0	114	E345	K343-E345 VanDerWaalsContact C-N 3.29Å; K343-E345 PolarHBondContact O-N 2.65Å
344	E	45.9	Very low	52.6	Low	195 Å²	195	133.2 Å²	133.2	91%	0.911	70%	0.703	S	S	*	*			trans	-60.4	88.2	158.2	-64.1	-170.4	156.8	0	0	110.8	I346	E344-I346 PolarHBondContact O-N 2.86Å
345	E	44.5	Very low	54.9	Low	176 Å²	176	131.6 Å²	131.6	82%	0.822	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-71.8	124.2	172.9	-73.8	-114.1	116.6	0	0	110.6	K343	K343-E345 VanDerWaalsContact C-N 3.29Å; K343-E345 PolarHBondContact O-N 2.65Å
346	I	50.3	Low	57.4	Low	155 Å²	155	127.8 Å²	127.8	80%	0.795	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-64.1	127.3	177.4	-53.3	99	0	0	0	108.8	E344	E344-I346 PolarHBondContact O-N 2.86Å
347	P	53	Low	60	Low	105 Å²	105	129.3 Å²	129.3	68%	0.682	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-57.4	140.8	-178.7	22.4	-33.5	0	0	0	111.2	K349	P347-K349 PolarHBondContact O-N 3.32Å
348	P	50.5	Low	62.6	Low	117 Å²	117	125.9 Å²	125.9	76%	0.76	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-61.9	138.9	-168.9	24.5	-34.6	0	0	0	111.3	S350	P348-S350 PolarHBondContact O-N 2.77Å
349	K	52.6	Low	65	Low	212 Å²	212	119.4 Å²	119.4	92%	0.922	60%	0.595	S	S	*	*			trans	-49.7	107.4	-179	-64.1	173	-175.7	171.1	0	110.1	P347	P347-K349 PolarHBondContact O-N 3.32Å
350	S	64.4	Low	67.5	Low	31 Å²	31	112.4 Å²	112.4	22%	0.217	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-64.3	146.1	-173	26.7	0	0	0	0	111.7	P348 D470	P348-S350 PolarHBondContact O-N 2.77Å; S350-D470 VanDerWaalsContact CB-CG 3.45Å; S350-D470 WeakPolarHBondContact CB-OD2 3.3Å; S350-D470 PolarHBondContact OG-OD2 3.39Å
351	Q	79.2	Confident	70	Confident	150 Å²	150	108.2 Å²	108.2	70%	0.701	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-62.4	138	-173.6	-66.5	179.6	-7.6	0	0	110.7	L469	Q351-L469 PolarHBondContact O-N 3.15Å
352	P	83.8	Confident	72.5	Confident	76 Å²	76	99 Å²	99	49%	0.494	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-70.9	148.2	175.6	30.2	-34.6	0	0	0	110.4	S354 L466	P352-S354 PolarHBondContact O-N 3.5Å; P352-L466 HydrophobicContact CB-CB 4.01Å; P352-L466 HydrophobicContact CB-CD1 4.45Å
353	V	86.9	Confident	75	Confident	1 Å²	1	90.7 Å²	90.7	1%	0.006	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-51	124.2	-175.4	70.5	0	0	0	0	113.1	E358 L359 F452 W455 K456 L466 P467 I472	V353-E358 HydrophobicContact CG2-CB 3.71Å; V353-E358 WeakPolarHBondContact CG2-OE2 3.26Å; V353-L359 HydrophobicContact CG1-CD1 4.45Å; V353-L359 HydrophobicContact CG2-CB 4.28Å; V353-L359 HydrophobicContact CG2-CD1 4.34Å; V353-F452 HydrophobicContact CG1-CE2 4.26Å; V353-F452 HydrophobicContact CG1-CZ 4.3Å; V353-F452 HydrophobicContact CG2-CE2 4.14Å; V353-F452 HydrophobicContact CG2-CZ 4.19Å; V353-W455 HydrophobicContact CG1-CH2 3.86Å; V353-W455 HydrophobicContact CG1-CZ3 3.9Å; V353-K456 PolarHBondContact O-NZ 3.4Å; V353-K456 VanDerWaalsContact O-NZ 3.13Å; V353-L466 HydrophobicContact CG1-CB 4.31Å; V353-P467 HydrophobicContact CB-CG 4.49Å; V353-P467 HydrophobicContact CG1-CG 3.91Å; V353-P467 PolarHBondContact N-O 3.08Å; V353-I472 HydrophobicContact CB-CD1 3.75Å; V353-I472 HydrophobicContact CG2-CD1 3.55Å
354	S	84.3	Confident	77.6	Confident	59 Å²	59	81.8 Å²	81.8	41%	0.413	42%	0.418	S	S	.	.			trans	-108.8	-40	-168.2	74.2	0	0	0	0	111.9	P352 E358 F452	P352-S354 PolarHBondContact O-N 3.5Å; S354-E358 WeakPolarHBondContact CA-OE2 3.3Å; S354-E358 PolarHBondContact N-OE2 2.95Å; S354-E358 PolarHBondContact OG-OE1 2.96Å; S354-E358 PolarHBondContact OG-OE2 3.39Å; S354-E358 VanDerWaalsContact OG-OE2 3.12Å; S354-F452 WeakPolarHBondContact O-CE1 3.46Å
355	L	90.2	Very high	80	Confident	87 Å²	87	73.4 Å²	73.4	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-114.8	150.1	-174.2	-65.5	171.6	0	0	0	112	E357 E358	L355-E357 PolarHBondContact O-N 2.89Å; L355-E358 HydrophobicContact CB-CG 4.17Å; L355-E358 PolarHBondContact N-OE2 3.49Å; L355-E358 PolarHBondContact O-N 3.4Å
356	P	91.8	Very high	82.4	Confident	26 Å²	26	69.2 Å²	69.2	17%	0.169	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-28.1	173.6	27	-34.5	0	0	0	112.5	L359 N360 F452	P356-L359 PolarHBondContact O-N 3.27Å; P356-N360 WeakPolarHBondContact O-CB 3.42Å; P356-N360 PolarHBondContact O-N 3.01Å; P356-N360 PolarHBondContact O-ND2 2.93Å; P356-F452 HydrophobicContact CB-CB 3.95Å; P356-F452 HydrophobicContact CB-CD1 4.35Å; P356-F452 HydrophobicContact CB-CD2 4.32Å; P356-F452 HydrophobicContact CB-CG 3.97Å
357	E	92.7	Very high	84.5	Confident	141 Å²	141	65.9 Å²	65.9	66%	0.659	34%	0.338	S	S	*	.	H	α-helix	trans	-62.8	-41.1	178.6	-65	179.2	-168.2	0	0	112.9	L355 L359 N360 R361	L355-E357 PolarHBondContact O-N 2.89Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 2.83Å; E357-N360 WeakPolarHBondContact O-CB 3.41Å; E357-N360 PolarHBondContact O-N 3.15Å; E357-R361 PolarHBondContact O-N 3.05Å
358	E	92.2	Very high	86.4	Confident	24 Å²	24	63.1 Å²	63.1	11%	0.112	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-46.3	175.8	-63.9	167	152.5	0	0	110.3	V353 S354 L355 N360 R361 L469 I472	V353-E358 HydrophobicContact CG2-CB 3.71Å; V353-E358 WeakPolarHBondContact CG2-OE2 3.26Å; S354-E358 WeakPolarHBondContact CA-OE2 3.3Å; S354-E358 PolarHBondContact N-OE2 2.95Å; S354-E358 PolarHBondContact OG-OE1 2.96Å; S354-E358 PolarHBondContact OG-OE2 3.39Å; S354-E358 VanDerWaalsContact OG-OE2 3.12Å; L355-E358 HydrophobicContact CB-CG 4.17Å; L355-E358 PolarHBondContact N-OE2 3.49Å; L355-E358 PolarHBondContact O-N 3.4Å; E358-N360 VanDerWaalsContact C-N 3.33Å; E358-N360 PolarHBondContact O-N 3.26Å; E358-R361 WeakPolarHBondContact O-CB 3.33Å; E358-R361 WeakPolarHBondContact O-CG 3.36Å; E358-R361 PolarHBondContact O-N 2.81Å; E358-L469 HydrophobicContact CB-CD1 4.32Å; E358-L469 HydrophobicContact CG-CD1 4.09Å; E358-I472 VanDerWaalsContact O-CG2 3.31Å; E358-I472 WeakPolarHBondContact O-CG2 3.38Å
359	L	93.2	Very high	88.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71	-27	177.3	-154.3	75.5	0	0	0	112.8	V353 P356 E357 R361 V362 R363 F386 V402 F447 F452 W455 P467 I472	V353-L359 HydrophobicContact CG1-CD1 4.45Å; V353-L359 HydrophobicContact CG2-CB 4.28Å; V353-L359 HydrophobicContact CG2-CD1 4.34Å; P356-L359 PolarHBondContact O-N 3.27Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 2.83Å; L359-R361 PolarHBondContact O-N 2.89Å; L359-V362 HydrophobicContact CD1-CG2 4.31Å; L359-V362 VanDerWaalsContact O-CG2 3.31Å; L359-V362 WeakPolarHBondContact O-CG2 3.37Å; L359-V362 PolarHBondContact O-N 2.86Å; L359-R363 PolarHBondContact O-N 3.32Å; L359-F386 HydrophobicContact CD1-CD1 4.25Å; L359-F386 HydrophobicContact CD1-CD2 3.8Å; L359-F386 HydrophobicContact CD1-CE1 4.27Å; L359-F386 HydrophobicContact CD1-CE2 3.83Å; L359-F386 HydrophobicContact CD1-CG 4.02Å; L359-F386 HydrophobicContact CD1-CZ 4.07Å; L359-F386 HydrophobicContact CD2-CD1 4.06Å; L359-F386 HydrophobicContact CD2-CE1 4.48Å; L359-F386 HydrophobicContact CD2-CG 4.24Å; L359-F386 HydrophobicContact CG-CB 4.41Å; L359-F386 HydrophobicContact CG-CD1 4.37Å; L359-F386 HydrophobicContact CG-CD2 4.29Å; L359-F386 HydrophobicContact CG-CG 4.09Å; L359-V402 HydrophobicContact CD2-CG1 3.48Å; L359-V402 VanDerWaalsContact CD2-CG1 3.48Å; L359-F447 HydrophobicContact CB-CD2 4.4Å; L359-F447 HydrophobicContact CD2-CD2 4.27Å; L359-F447 HydrophobicContact CD2-CE2 4.11Å; L359-F447 HydrophobicContact CG-CD2 4.48Å; L359-F447 HydrophobicContact CG-CE2 4.18Å; L359-F452 HydrophobicContact CB-CD2 4.35Å; L359-F452 HydrophobicContact CB-CE2 4.1Å; L359-F452 HydrophobicContact CD2-CD2 3.95Å; L359-F452 HydrophobicContact CD2-CE2 4.09Å; L359-W455 HydrophobicContact CD1-CH2 4.15Å; L359-W455 HydrophobicContact CD2-CE3 4.2Å; L359-W455 HydrophobicContact CD2-CH2 4.13Å; L359-W455 HydrophobicContact CD2-CZ3 3.94Å; L359-P467 HydrophobicContact CD1-CG 4.23Å; L359-I472 HydrophobicContact CD1-CD1 4.17Å
360	N	94.1	Very high	90.4	Very high	25 Å²	25	49.3 Å²	49.3	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-24.2	173.9	-85.5	-55.2	0	0	0	112.5	P356 E357 E358 V362 R363 E446 F447	P356-N360 WeakPolarHBondContact O-CB 3.42Å; P356-N360 PolarHBondContact O-N 3.01Å; P356-N360 PolarHBondContact O-ND2 2.93Å; E357-N360 WeakPolarHBondContact O-CB 3.41Å; E357-N360 PolarHBondContact O-N 3.15Å; E358-N360 VanDerWaalsContact C-N 3.33Å; E358-N360 PolarHBondContact O-N 3.26Å; N360-V362 PolarHBondContact O-N 3.39Å; N360-R363 WeakPolarHBondContact O-CB 3.1Å; N360-R363 PolarHBondContact O-N 3.48Å; N360-R363 VanDerWaalsContact O-N 3.16Å; N360-R363 VanDerWaalsContact OD1-CD 3.23Å; N360-R363 WeakPolarHBondContact OD1-CD 3.36Å; N360-R363 PolarHBondContact OD1-NE 3.32Å; N360-R363 VanDerWaalsContact OD1-NE 3.1Å; N360-E446 WeakPolarHBondContact OD1-CB 3.32Å; N360-F447 WeakPolarHBondContact OD1-CD2 3.44Å; N360-F447 PolarHBondContact OD1-N 3.48Å
361	R	93.2	Very high	91.6	Very high	109 Å²	109	55.8 Å²	55.8	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-43.9	174.4	-58	-179.7	-169.3	175.7	2.2	112.3	E357 E358 L359 R363 I472 N473 E476	E357-R361 PolarHBondContact O-N 3.05Å; E358-R361 WeakPolarHBondContact O-CB 3.33Å; E358-R361 WeakPolarHBondContact O-CG 3.36Å; E358-R361 PolarHBondContact O-N 2.81Å; L359-R361 PolarHBondContact O-N 2.89Å; R361-R363 VanDerWaalsContact C-N 3.29Å; R361-R363 PolarHBondContact O-N 2.87Å; R361-I472 HydrophobicContact CB-CG2 4.36Å; R361-N473 PolarHBondContact NH1-OD1 3.11Å; R361-N473 VanDerWaalsContact NH1-OD1 3.15Å; R361-E476 HydrophobicContact CB-CG 4.16Å; R361-E476 WeakPolarHBondContact CD-OE2 3.48Å
362	V	95	Very high	92.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	12.4	177.9	-69	0	0	0	0	113.6	L359 N360 F386 I472 K475 E476 I479	L359-V362 HydrophobicContact CD1-CG2 4.31Å; L359-V362 VanDerWaalsContact O-CG2 3.31Å; L359-V362 WeakPolarHBondContact O-CG2 3.37Å; L359-V362 PolarHBondContact O-N 2.86Å; N360-V362 PolarHBondContact O-N 3.39Å; V362-F386 HydrophobicContact CG2-CD2 3.75Å; V362-F386 HydrophobicContact CG2-CE2 4.47Å; V362-F386 PolarHBondContact O-N 3.47Å; V362-F386 VanDerWaalsContact O-N 3.09Å; V362-I472 HydrophobicContact CG1-CB 4.4Å; V362-I472 HydrophobicContact CG1-CG2 4Å; V362-I472 VanDerWaalsContact CG1-O 3.25Å; V362-I472 WeakPolarHBondContact CG1-O 3.36Å; V362-I472 HydrophobicContact CG2-CG1 4.3Å; V362-I472 HydrophobicContact CG2-CG2 4.37Å; V362-K475 HydrophobicContact CG1-CB 3.79Å; V362-K475 HydrophobicContact CG1-CG 4.02Å; V362-E476 HydrophobicContact CG1-CB 4.44Å; V362-I479 HydrophobicContact CB-CD1 4.36Å; V362-I479 HydrophobicContact CG1-CD1 4.36Å
363	R	95.8	Very high	92.6	Very high	27 Å²	27	45.9 Å²	45.9	10%	0.102	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-77.7	131.1	177.8	-172.6	-179.2	60.9	87.8	3.3	112.1	L359 N360 R361 K368 F386 N444 Q445 E446 F447	L359-R363 PolarHBondContact O-N 3.32Å; N360-R363 WeakPolarHBondContact O-CB 3.1Å; N360-R363 PolarHBondContact O-N 3.48Å; N360-R363 VanDerWaalsContact O-N 3.16Å; N360-R363 VanDerWaalsContact OD1-CD 3.23Å; N360-R363 WeakPolarHBondContact OD1-CD 3.36Å; N360-R363 PolarHBondContact OD1-NE 3.32Å; N360-R363 VanDerWaalsContact OD1-NE 3.1Å; R361-R363 VanDerWaalsContact C-N 3.29Å; R361-R363 PolarHBondContact O-N 2.87Å; R363-K368 PolarHBondContact O-NZ 3.42Å; R363-F386 WeakPolarHBondContact CA-O 3.29Å; R363-N444 PolarHBondContact NH1-O 2.7Å; R363-Q445 PolarHBondContact NH1-O 2.88Å; R363-E446 VanDerWaalsContact CZ-CG 3.41Å; R363-E446 IonicContact NH2-OE1 2.63Å; R363-E446 PolarHBondContact NH2-OE1 3.06Å; R363-F447 HydrophobicContact CB-CE2 3.82Å; R363-F447 HydrophobicContact CB-CZ 4.26Å; R363-F447 HydrophobicContact CG-CD2 4.49Å; R363-F447 HydrophobicContact CG-CE2 3.78Å; R363-F447 HydrophobicContact CG-CZ 3.8Å
364	L	96	Very high	92.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-98.6	121.8	167.7	-57.1	-176.2	0	0	0	110.5	K368 L369 W372 V382 C385 F386 V387 I405 I479	L364-K368 HydrophobicContact CD2-CB 4.44Å; L364-K368 HydrophobicContact CD2-CD 3.79Å; L364-L369 HydrophobicContact CB-CD2 4.12Å; L364-L369 HydrophobicContact CB-CG 4.13Å; L364-L369 HydrophobicContact CD1-CD2 3.76Å; L364-W372 HydrophobicContact CD1-CZ3 4.37Å; L364-W372 HydrophobicContact CD2-CE3 4.49Å; L364-W372 HydrophobicContact CD2-CH2 4.44Å; L364-W372 HydrophobicContact CD2-CZ3 3.69Å; L364-V382 HydrophobicContact CD1-CB 3.81Å; L364-V382 HydrophobicContact CD1-CG1 3.57Å; L364-C385 HydrophobicContact CD1-CB 3.64Å; L364-C385 HydrophobicContact CG-CB 3.75Å; L364-F386 PolarHBondContact N-O 2.92Å; L364-V387 HydrophobicContact CB-CG1 4.1Å; L364-I405 HydrophobicContact CD1-CD1 4.11Å; L364-I479 HydrophobicContact CD2-CD1 4.31Å
365	S	95.7	Very high	92.9	Very high	20 Å²	20	44.5 Å²	44.5	14%	0.14	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-81.7	160.9	168.7	62.8	0	0	0	0	110.6	H367 K368 L369	S365-H367 PolarHBondContact O-N 3.46Å; S365-K368 PolarHBondContact O-N 3.32Å; S365-K368 PolarHBondContact OG-N 2.85Å; S365-L369 PolarHBondContact O-N 3.36Å; S365-L369 VanDerWaalsContact O-N 3.11Å
366	R	95.1	Very high	92.7	Very high	87 Å²	87	42.6 Å²	42.6	33%	0.328	19%	0.191	S	C	.	.	H	α-helix	trans	-53.1	-39.8	175.2	-164.3	177.5	64.6	-152.8	-0.6	111.7	K368 L369 E370 L417 N444	R366-K368 PolarHBondContact O-N 3.44Å; R366-L369 PolarHBondContact O-N 2.85Å; R366-E370 VanDerWaalsContact O-CB 3.26Å; R366-E370 WeakPolarHBondContact O-CB 3.15Å; R366-E370 PolarHBondContact O-N 2.95Å; R366-L417 HydrophobicContact CG-CD1 3.98Å; R366-N444 WeakPolarHBondContact CB-OD1 3.4Å; R366-N444 PolarHBondContact N-OD1 2.85Å; R366-N444 VanDerWaalsContact N-OD1 3.13Å
367	H	94.1	Very high	92.5	Very high	86 Å²	86	43.1 Å²	43.1	40%	0.398	19%	0.19	S	C	.	.	H	α-helix	trans	-75	-16	177.7	-61.2	-53.5	0	0	0	115.7	S365 E370 R371 N444	S365-H367 PolarHBondContact O-N 3.46Å; H367-E370 IonicContact CE1-OE2 3.1Å; H367-E370 IonicContact ND1-OE2 3.62Å; H367-E370 PolarHBondContact ND1-OE2 2.94Å; H367-R371 PolarHBondContact O-NE 3Å; H367-N444 VanDerWaalsContact CD2-CG 3.49Å; H367-N444 PolarHBondContact CD2-ND2 3.03Å; H367-N444 PolarHBondContact CD2-OD1 2.89Å; H367-N444 VanDerWaalsContact CD2-OD1 3.32Å; H367-N444 PolarHBondContact N-OD1 3.34Å; H367-N444 PolarHBondContact NE2-ND2 3.2Å
368	K	93.1	Very high	92.5	Very high	47 Å²	47	36.8 Å²	36.8	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-74.8	-48.6	163.9	-73	-178.1	-174	173.3	0	109.2	R363 L364 S365 R366 E370 R371 W372	R363-K368 PolarHBondContact O-NZ 3.42Å; L364-K368 HydrophobicContact CD2-CB 4.44Å; L364-K368 HydrophobicContact CD2-CD 3.79Å; S365-K368 PolarHBondContact O-N 3.32Å; S365-K368 PolarHBondContact OG-N 2.85Å; R366-K368 PolarHBondContact O-N 3.44Å; K368-E370 PolarHBondContact O-N 3.17Å; K368-R371 PolarHBondContact O-N 2.76Å; K368-W372 WeakPolarHBondContact O-CB 3.34Å; K368-W372 PolarHBondContact O-N 2.6Å; K368-W372 VanDerWaalsContact O-N 3.08Å
369	L	94.4	Very high	92.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.4	-41.7	-179.7	-64.3	169.8	0	0	0	113.1	L364 S365 R366 R371 W372 C373 F378 V382 V387 L426 L439 V442	L364-L369 HydrophobicContact CB-CD2 4.12Å; L364-L369 HydrophobicContact CB-CG 4.13Å; L364-L369 HydrophobicContact CD1-CD2 3.76Å; S365-L369 PolarHBondContact O-N 3.36Å; S365-L369 VanDerWaalsContact O-N 3.11Å; R366-L369 PolarHBondContact O-N 2.85Å; L369-R371 PolarHBondContact O-N 2.8Å; L369-W372 CarbonylContact O-C 3.57Å; L369-W372 PolarHBondContact O-N 3Å; L369-C373 VanDerWaalsContact O-CB 3.26Å; L369-C373 WeakPolarHBondContact O-CB 3.08Å; L369-C373 PolarHBondContact O-N 3.03Å; L369-F378 HydrophobicContact CD2-CE2 4Å; L369-F378 HydrophobicContact CD2-CZ 4.18Å; L369-V382 HydrophobicContact CD2-CG1 3.91Å; L369-V387 HydrophobicContact CD1-CG1 4.22Å; L369-L426 HydrophobicContact CD1-CD1 3.96Å; L369-L426 HydrophobicContact CD2-CD1 4.44Å; L369-L439 HydrophobicContact CB-CD2 4.04Å; L369-L439 HydrophobicContact CB-CG 4.44Å; L369-V442 HydrophobicContact CD1-CB 4.06Å; L369-V442 HydrophobicContact CD1-CG1 3.84Å; L369-V442 HydrophobicContact CD1-CG2 3.85Å
370	E	93.2	Very high	92.5	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-45.3	177.6	-178.5	179.7	-175.8	0	0	112.1	R366 H367 K368 C373 L417 G418 G419 T420	R366-E370 VanDerWaalsContact O-CB 3.26Å; R366-E370 WeakPolarHBondContact O-CB 3.15Å; R366-E370 PolarHBondContact O-N 2.95Å; H367-E370 IonicContact CE1-OE2 3.1Å; H367-E370 IonicContact ND1-OE2 3.62Å; H367-E370 PolarHBondContact ND1-OE2 2.94Å; K368-E370 PolarHBondContact O-N 3.17Å; E370-C373 PolarHBondContact O-SG 3.03Å; E370-L417 HydrophobicContact CB-CD2 4.2Å; E370-L417 HydrophobicContact CB-CG 4.2Å; E370-L417 HydrophobicContact CG-CG 4.27Å; E370-G418 WeakPolarHBondContact OE1-CA 3.46Å; E370-G419 PolarHBondContact OE1-N 3.05Å; E370-T420 HydrophobicContact CG-CG2 4.29Å
371	R	90.1	Very high	92.5	Very high	167 Å²	167	45.7 Å²	45.7	63%	0.63	21%	0.207	S	C	*	.	H	α-helix	trans	-67.1	-36.9	175.3	-74.4	-177.2	-73.8	168.8	-5.7	112.4	H367 K368 L369	H367-R371 PolarHBondContact O-NE 3Å; K368-R371 PolarHBondContact O-N 2.76Å; L369-R371 PolarHBondContact O-N 2.8Å
372	W	91.6	Very high	92.6	Very high	16 Å²	16	40.5 Å²	40.5	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-90.1	-13.4	-174.4	-69.2	-20.8	0	0	0	115.7	L364 K368 L369 H374 M375 F378 T381 V382 I479 A482 L483	L364-W372 HydrophobicContact CD1-CZ3 4.37Å; L364-W372 HydrophobicContact CD2-CE3 4.49Å; L364-W372 HydrophobicContact CD2-CH2 4.44Å; L364-W372 HydrophobicContact CD2-CZ3 3.69Å; K368-W372 WeakPolarHBondContact O-CB 3.34Å; K368-W372 PolarHBondContact O-N 2.6Å; K368-W372 VanDerWaalsContact O-N 3.08Å; L369-W372 CarbonylContact O-C 3.57Å; L369-W372 PolarHBondContact O-N 3Å; W372-H374 PolarHBondContact O-N 2.59Å; W372-M375 HydrophobicContact CB-CG 4.36Å; W372-M375 WeakPolarHBondContact O-CB 3.41Å; W372-M375 WeakPolarHBondContact O-CG 3.48Å; W372-M375 PolarHBondContact O-N 2.64Å; W372-F378 HydrophobicContact CB-CD2 3.81Å; W372-F378 HydrophobicContact CB-CE2 4.18Å; W372-F378 WeakPolarHBondContact O-CD2 3.28Å; W372-T381 HydrophobicContact CE3-CG2 4.14Å; W372-T381 HydrophobicContact CH2-CG2 3.75Å; W372-T381 HydrophobicContact CZ2-CG2 4.46Å; W372-T381 HydrophobicContact CZ3-CG2 3.57Å; W372-V382 HydrophobicContact CE3-CG1 4.46Å; W372-I479 HydrophobicContact CH2-CG2 4.04Å; W372-A482 HydrophobicContact CH2-CB 4.05Å; W372-A482 HydrophobicContact CZ2-CB 3.79Å; W372-A482 PolarHBondContact NE1-O 3.34Å; W372-L483 HydrophobicContact CZ2-CD2 3.68Å; W372-L483 HydrophobicContact CZ2-CG 3.82Å
373	C	91.2	Very high	92.6	Very high	1 Å²	1	43 Å²	43	1%	0.007	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-7.1	-170.1	65.8	0	0	0	0	116.5	L369 E370 F378 L417 L439	L369-C373 VanDerWaalsContact O-CB 3.26Å; L369-C373 WeakPolarHBondContact O-CB 3.08Å; L369-C373 PolarHBondContact O-N 3.03Å; E370-C373 PolarHBondContact O-SG 3.03Å; C373-F378 HydrophobicContact CB-CE2 4.44Å; C373-F378 HydrophobicContact CB-CZ 4.45Å; C373-L417 HydrophobicContact CB-CD2 4.48Å; C373-L439 HydrophobicContact CB-CD2 3.92Å
374	H	90	Very high	92.5	Very high	11 Å²	11	43 Å²	43	5%	0.051	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	3.2	174.6	-61.6	-81.4	0	0	0	113.3	W372 T420 R421 I495 K499 F502	W372-H374 PolarHBondContact O-N 2.59Å; H374-T420 PolarHBondContact NE2-OG1 2.9Å; H374-R421 PolarHBondContact CE1-O 3.13Å; H374-R421 VanDerWaalsContact CE1-O 3.24Å; H374-R421 PolarHBondContact NE2-O 3.09Å; H374-I495 HydrophobicContact CB-CG2 4.45Å; H374-I495 VanDerWaalsContact O-CG1 3.28Å; H374-I495 WeakPolarHBondContact O-CG1 3.47Å; H374-K499 HydrophobicContact CB-CG 4.24Å; H374-F502 AromaticContact CE1-CD2 3.89Å; H374-F502 AromaticContact CE1-CE2 3.94Å
375	M	88	Confident	92.5	Very high	20 Å²	20	43 Å²	43	10%	0.099	21%	0.212	C	C	.	.			trans	-80.2	138.9	-179.5	-59.9	-60.1	-66.7	0	0	110.6	W372 F377 F378 Y485 F487 I495	W372-M375 HydrophobicContact CB-CG 4.36Å; W372-M375 WeakPolarHBondContact O-CB 3.41Å; W372-M375 WeakPolarHBondContact O-CG 3.48Å; W372-M375 PolarHBondContact O-N 2.64Å; M375-F377 VanDerWaalsContact C-N 3.29Å; M375-F377 HydrophobicContact CB-CD2 4.39Å; M375-F377 HydrophobicContact CB-CE1 4.48Å; M375-F377 HydrophobicContact CB-CE2 4.2Å; M375-F377 HydrophobicContact CB-CZ 4.26Å; M375-F377 HydrophobicContact CE-CE1 3.49Å; M375-F377 VanDerWaalsContact CE-CE1 3.49Å; M375-F377 HydrophobicContact CE-CE2 4.29Å; M375-F377 HydrophobicContact CE-CZ 3.35Å; M375-F377 HydrophobicContact CG-CZ 4.42Å; M375-F377 PolarHBondContact O-N 2.81Å; M375-F378 HydrophobicContact CB-CB 4.46Å; M375-F378 WeakPolarHBondContact O-CB 3.37Å; M375-F378 PolarHBondContact O-N 3.18Å; M375-Y485 HydrophobicContact CE-CD1 4.46Å; M375-F487 HydrophobicContact CE-CD1 3.83Å; M375-F487 HydrophobicContact CE-CE1 3.44Å; M375-F487 VanDerWaalsContact CE-CE1 3.44Å; M375-F487 HydrophobicContact CE-CZ 4.33Å; M375-F487 HydrophobicContact SD-CD1 4.48Å; M375-F487 HydrophobicContact SD-CE1 3.75Å; M375-I495 HydrophobicContact CE-CD1 3.97Å; M375-I495 HydrophobicContact SD-CD1 3.53Å; M375-I495 VanDerWaalsContact SD-CD1 3.53Å; M375-I495 HydrophobicContact SD-CG1 4.08Å
376	P	86.9	Confident	92.5	Very high	48 Å²	48	42.6 Å²	42.6	31%	0.312	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-38.7	-179.3	21.1	-31.2	0	0	0	112.3	F378 D491	P376-F378 VanDerWaalsContact C-N 3.26Å; P376-F378 PolarHBondContact O-N 3.14Å; P376-D491 HydrophobicContact CG-CB 4.3Å; P376-D491 WeakPolarHBondContact CG-OD1 3.48Å
377	F	87.6	Confident	92.6	Very high	36 Å²	36	38.5 Å²	38.5	16%	0.158	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.1	176.7	56.5	-101.8	0	0	0	114.8	M375 A379 K380 T381 A482 Y485	M375-F377 VanDerWaalsContact C-N 3.29Å; M375-F377 HydrophobicContact CB-CD2 4.39Å; M375-F377 HydrophobicContact CB-CE1 4.48Å; M375-F377 HydrophobicContact CB-CE2 4.2Å; M375-F377 HydrophobicContact CB-CZ 4.26Å; M375-F377 HydrophobicContact CE-CE1 3.49Å; M375-F377 VanDerWaalsContact CE-CE1 3.49Å; M375-F377 HydrophobicContact CE-CE2 4.29Å; M375-F377 HydrophobicContact CE-CZ 3.35Å; M375-F377 HydrophobicContact CG-CZ 4.42Å; M375-F377 PolarHBondContact O-N 2.81Å; F377-A379 VanDerWaalsContact C-N 3.34Å; F377-A379 PolarHBondContact O-N 3.46Å; F377-K380 PolarHBondContact O-N 3.48Å; F377-T381 WeakPolarHBondContact CD2-OG1 3.45Å; F377-T381 PolarHBondContact O-N 3.33Å; F377-A482 HydrophobicContact CE2-CB 4.04Å; F377-Y485 HydrophobicContact CD1-CD2 4.41Å; F377-Y485 HydrophobicContact CD1-CE1 4.42Å; F377-Y485 HydrophobicContact CD1-CE2 4.25Å; F377-Y485 AromaticContact CE1-CD1 3.47Å; F377-Y485 HydrophobicContact CE1-CD1 3.47Å; F377-Y485 VanDerWaalsContact CE1-CD1 3.47Å; F377-Y485 AromaticContact CE1-CD2 3.73Å; F377-Y485 HydrophobicContact CE1-CD2 3.73Å; F377-Y485 AromaticContact CE1-CE1 3.63Å; F377-Y485 HydrophobicContact CE1-CE1 3.63Å; F377-Y485 AromaticContact CE1-CE2 3.88Å; F377-Y485 HydrophobicContact CE1-CE2 3.88Å; F377-Y485 AromaticContact CE1-CG 3.51Å; F377-Y485 HydrophobicContact CE1-CG 3.51Å; F377-Y485 AromaticContact CE1-CZ 3.84Å; F377-Y485 AromaticContact CZ-CD1 3.89Å; F377-Y485 HydrophobicContact CZ-CD1 3.89Å; F377-Y485 HydrophobicContact CZ-CD2 4.04Å; F377-Y485 HydrophobicContact CZ-CE1 4.48Å; F377-Y485 AromaticContact CZ-CG 3.62Å; F377-Y485 HydrophobicContact CZ-CG 3.62Å
378	F	92.2	Very high	92.8	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.039	18%	0.177	C	C	.	.	H	α-helix	trans	-47.1	-53.8	-175.5	175.4	-113.9	0	0	0	112.4	L369 W372 C373 M375 P376 K380 T381 V382 V408 K424 L426 L439	L369-F378 HydrophobicContact CD2-CE2 4Å; L369-F378 HydrophobicContact CD2-CZ 4.18Å; W372-F378 HydrophobicContact CB-CD2 3.81Å; W372-F378 HydrophobicContact CB-CE2 4.18Å; W372-F378 WeakPolarHBondContact O-CD2 3.28Å; C373-F378 HydrophobicContact CB-CE2 4.44Å; C373-F378 HydrophobicContact CB-CZ 4.45Å; M375-F378 HydrophobicContact CB-CB 4.46Å; M375-F378 WeakPolarHBondContact O-CB 3.37Å; M375-F378 PolarHBondContact O-N 3.18Å; P376-F378 VanDerWaalsContact C-N 3.26Å; P376-F378 PolarHBondContact O-N 3.14Å; F378-K380 VanDerWaalsContact C-N 3.34Å; F378-K380 PolarHBondContact O-N 2.95Å; F378-T381 PolarHBondContact O-N 3.41Å; F378-V382 HydrophobicContact CD2-CG1 3.73Å; F378-V382 HydrophobicContact CE1-CG2 4.33Å; F378-V382 HydrophobicContact CE2-CG1 3.47Å; F378-V382 VanDerWaalsContact CE2-CG1 3.47Å; F378-V382 HydrophobicContact CE2-CG2 4.43Å; F378-V382 HydrophobicContact CZ-CG1 4.03Å; F378-V382 HydrophobicContact CZ-CG2 4.23Å; F378-V382 WeakPolarHBondContact O-CG1 3.43Å; F378-V382 WeakPolarHBondContact O-CG2 3.45Å; F378-V382 PolarHBondContact O-N 3.28Å; F378-V408 HydrophobicContact CD1-CG1 4.11Å; F378-V408 HydrophobicContact CD1-CG2 4.03Å; F378-V408 HydrophobicContact CE1-CB 4.45Å; F378-V408 HydrophobicContact CE1-CG1 3.82Å; F378-V408 HydrophobicContact CE1-CG2 3.75Å; F378-K424 HydrophobicContact CE1-CB 4.48Å; F378-L426 HydrophobicContact CE1-CD2 4.43Å; F378-L426 HydrophobicContact CZ-CD2 4.18Å; F378-L439 HydrophobicContact CZ-CD2 4.06Å
379	A	93.5	Very high	92.9	Very high	44 Å²	44	33.5 Å²	33.5	36%	0.364	17%	0.168	S	C	.	.	H	α-helix	trans	-60	-39.9	-179	0	0	0	0	0	113.1	F377 T383 V408	F377-A379 VanDerWaalsContact C-N 3.34Å; F377-A379 PolarHBondContact O-N 3.46Å; A379-T383 VanDerWaalsContact O-CB 3.31Å; A379-T383 WeakPolarHBondContact O-CB 3.3Å; A379-T383 PolarHBondContact O-N 2.97Å; A379-T383 VanDerWaalsContact O-N 3.13Å; A379-T383 PolarHBondContact O-OG1 2.77Å; A379-V408 HydrophobicContact CB-CB 4.11Å; A379-V408 HydrophobicContact CB-CG2 4.07Å
380	K	92.5	Very high	93	Very high	177 Å²	177	34.2 Å²	34.2	77%	0.77	18%	0.176	S	C	*	.	H	α-helix	trans	-68.2	-42	178.4	-172.7	-178.5	179	-174.6	0	111.6	F377 F378 K475	F377-K380 PolarHBondContact O-N 3.48Å; F378-K380 VanDerWaalsContact C-N 3.34Å; F378-K380 PolarHBondContact O-N 2.95Å; K380-K475 PolarHBondContact O-NZ 3.02Å
381	T	92.6	Very high	93	Very high	15 Å²	15	36 Å²	36	9%	0.092	19%	0.186	C	C	.	.	H	α-helix	trans	-70.3	-43.4	178.8	-65.2	0	0	0	0	111.9	W372 F377 F378 C385 K475 A482	W372-T381 HydrophobicContact CE3-CG2 4.14Å; W372-T381 HydrophobicContact CH2-CG2 3.75Å; W372-T381 HydrophobicContact CZ2-CG2 4.46Å; W372-T381 HydrophobicContact CZ3-CG2 3.57Å; F377-T381 WeakPolarHBondContact CD2-OG1 3.45Å; F377-T381 PolarHBondContact O-N 3.33Å; F378-T381 PolarHBondContact O-N 3.41Å; T381-C385 PolarHBondContact O-SG 3.29Å; T381-K475 WeakPolarHBondContact O-CE 3.2Å; T381-K475 PolarHBondContact O-NZ 2.81Å; T381-A482 HydrophobicContact CG2-CB 3.51Å
382	V	95.2	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-80.7	-24.2	-175.3	-52.9	0	0	0	0	114.7	L364 L369 W372 F378 G384 C385 I405 V408 L426	L364-V382 HydrophobicContact CD1-CB 3.81Å; L364-V382 HydrophobicContact CD1-CG1 3.57Å; L369-V382 HydrophobicContact CD2-CG1 3.91Å; W372-V382 HydrophobicContact CE3-CG1 4.46Å; F378-V382 HydrophobicContact CD2-CG1 3.73Å; F378-V382 HydrophobicContact CE1-CG2 4.33Å; F378-V382 HydrophobicContact CE2-CG1 3.47Å; F378-V382 VanDerWaalsContact CE2-CG1 3.47Å; F378-V382 HydrophobicContact CE2-CG2 4.43Å; F378-V382 HydrophobicContact CZ-CG1 4.03Å; F378-V382 HydrophobicContact CZ-CG2 4.23Å; F378-V382 WeakPolarHBondContact O-CG1 3.43Å; F378-V382 WeakPolarHBondContact O-CG2 3.45Å; F378-V382 PolarHBondContact O-N 3.28Å; V382-G384 PolarHBondContact O-N 2.73Å; V382-C385 VanDerWaalsContact O-CB 3.25Å; V382-C385 WeakPolarHBondContact O-CB 3.29Å; V382-C385 PolarHBondContact O-N 2.98Å; V382-I405 HydrophobicContact CB-CD1 3.89Å; V382-I405 HydrophobicContact CG2-CD1 4.35Å; V382-I405 HydrophobicContact CG2-CG2 4.07Å; V382-I405 WeakPolarHBondContact O-CB 3.47Å; V382-V408 HydrophobicContact CG2-CG2 3.42Å; V382-V408 VanDerWaalsContact CG2-CG2 3.42Å; V382-L426 HydrophobicContact CG2-CD2 4.27Å
383	T	95.5	Very high	93	Very high	53 Å²	53	34.9 Å²	34.9	33%	0.325	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	128.7	178.5	-58.7	0	0	0	0	110.8	A379 C385 I405 K475	A379-T383 VanDerWaalsContact O-CB 3.31Å; A379-T383 WeakPolarHBondContact O-CB 3.3Å; A379-T383 PolarHBondContact O-N 2.97Å; A379-T383 VanDerWaalsContact O-N 3.13Å; A379-T383 PolarHBondContact O-OG1 2.77Å; T383-C385 VanDerWaalsContact C-N 3.33Å; T383-I405 WeakPolarHBondContact CA-O 3.48Å; T383-K475 VanDerWaalsContact O-CE 3.28Å; T383-K475 WeakPolarHBondContact O-CE 3.47Å; T383-K475 PolarHBondContact O-NZ 3.13Å
384	G	93.8	Very high	92.8	Very high	28 Å²	28	40.7 Å²	40.7	29%	0.289	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	3.7	-170.9	0	0	0	0	0	114.8	V382 I405	V382-G384 PolarHBondContact O-N 2.73Å; G384-I405 PolarHBondContact N-O 2.64Å
385	C	95.6	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.			trans	-87.7	162.9	165.8	-62.3	0	0	0	0	111.2	L364 T381 V382 T383 I405 K475	L364-C385 HydrophobicContact CD1-CB 3.64Å; L364-C385 HydrophobicContact CG-CB 3.75Å; T381-C385 PolarHBondContact O-SG 3.29Å; V382-C385 VanDerWaalsContact O-CB 3.25Å; V382-C385 WeakPolarHBondContact O-CB 3.29Å; V382-C385 PolarHBondContact O-N 2.98Å; T383-C385 VanDerWaalsContact C-N 3.33Å; C385-I405 HydrophobicContact CB-CD1 4.36Å; C385-I405 PolarHBondContact O-N 2.67Å; C385-K475 WeakPolarHBondContact SG-CE 3.44Å
386	F	96.4	Very high	92.5	Very high	11 Å²	11	50.7 Å²	50.7	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.2	177.9	-71.6	-95.9	0	0	0	112	L359 V362 R363 L364 V402 A403 E404 F447 W455 P467	L359-F386 HydrophobicContact CD1-CD1 4.25Å; L359-F386 HydrophobicContact CD1-CD2 3.8Å; L359-F386 HydrophobicContact CD1-CE1 4.27Å; L359-F386 HydrophobicContact CD1-CE2 3.83Å; L359-F386 HydrophobicContact CD1-CG 4.02Å; L359-F386 HydrophobicContact CD1-CZ 4.07Å; L359-F386 HydrophobicContact CD2-CD1 4.06Å; L359-F386 HydrophobicContact CD2-CE1 4.48Å; L359-F386 HydrophobicContact CD2-CG 4.24Å; L359-F386 HydrophobicContact CG-CB 4.41Å; L359-F386 HydrophobicContact CG-CD1 4.37Å; L359-F386 HydrophobicContact CG-CD2 4.29Å; L359-F386 HydrophobicContact CG-CG 4.09Å; V362-F386 HydrophobicContact CG2-CD2 3.75Å; V362-F386 HydrophobicContact CG2-CE2 4.47Å; V362-F386 PolarHBondContact O-N 3.47Å; V362-F386 VanDerWaalsContact O-N 3.09Å; R363-F386 WeakPolarHBondContact CA-O 3.29Å; L364-F386 PolarHBondContact N-O 2.92Å; F386-V402 HydrophobicContact CD1-CG1 3.9Å; F386-A403 CarbonylContact C-O 3.58Å; F386-A403 WeakPolarHBondContact CA-O 3.42Å; F386-E404 HydrophobicContact CD1-CB 4.11Å; F386-E404 HydrophobicContact CE1-CB 3.64Å; F386-E404 HydrophobicContact CE1-CG 4.1Å; F386-E404 HydrophobicContact CE2-CG 4.44Å; F386-E404 HydrophobicContact CZ-CB 4.03Å; F386-E404 HydrophobicContact CZ-CG 3.96Å; F386-F447 HydrophobicContact CB-CE2 4.09Å; F386-F447 HydrophobicContact CB-CZ 3.81Å; F386-W455 HydrophobicContact CD1-CZ2 4.5Å; F386-W455 AromaticContact CE1-CE2 3.99Å; F386-W455 HydrophobicContact CE1-CH2 4.34Å; F386-W455 AromaticContact CE1-CZ2 3.56Å; F386-W455 HydrophobicContact CE1-CZ2 3.56Å; F386-W455 HydrophobicContact CZ-CZ2 4Å; F386-P467 HydrophobicContact CE2-CG 4.31Å; F386-P467 HydrophobicContact CZ-CG 4.07Å
387	V	97.3	Very high	92.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.7	176.6	-72.7	0	0	0	0	111.5	L364 L369 I389 A403 I405 L426 L428 V442	L364-V387 HydrophobicContact CB-CG1 4.1Å; L369-V387 HydrophobicContact CD1-CG1 4.22Å; V387-I389 PolarHBondContact O-N 2.73Å; V387-A403 HydrophobicContact CG2-CB 4.49Å; V387-A403 PolarHBondContact N-O 3.24Å; V387-A403 PolarHBondContact O-N 3.04Å; V387-I405 HydrophobicContact CG1-CD1 3.79Å; V387-I405 HydrophobicContact CG1-CG1 4.19Å; V387-I405 HydrophobicContact CG2-CG1 4.14Å; V387-L426 HydrophobicContact CG1-CD1 4.31Å; V387-L428 HydrophobicContact CG2-CD1 3.79Å; V387-L428 HydrophobicContact CG2-CD2 3.53Å; V387-L428 HydrophobicContact CG2-CG 4.35Å; V387-V442 HydrophobicContact CB-CG1 4.06Å; V387-V442 HydrophobicContact CB-CG2 4.45Å; V387-V442 HydrophobicContact CG1-CG1 4.03Å; V387-V442 HydrophobicContact CG1-CG2 4.46Å
388	R	97.2	Very high	92.9	Very high	24 Å²	24	57.7 Å²	57.7	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	97.7	170.8	-175.6	173.8	-174.6	-100.8	3	108.2	Y400 S443 Q445 E446 F447 E451	R388-Y400 HydrophobicContact CG-CD1 4.07Å; R388-Y400 HydrophobicContact CG-CG 4.21Å; R388-Y400 VanDerWaalsContact CZ-CD2 3.46Å; R388-S443 PolarHBondContact NH1-OG 2.7Å; R388-S443 VanDerWaalsContact O-CB 3.32Å; R388-S443 WeakPolarHBondContact O-CB 3.45Å; R388-S443 PolarHBondContact O-N 2.59Å; R388-Q445 WeakPolarHBondContact CD-O 3.24Å; R388-E446 WeakPolarHBondContact CD-O 3.23Å; R388-E446 PolarHBondContact NE-O 3.48Å; R388-F447 HydrophobicContact CB-CD1 3.88Å; R388-F447 HydrophobicContact CB-CE1 3.65Å; R388-F447 HydrophobicContact CG-CD1 4.28Å; R388-F447 HydrophobicContact CG-CE1 4.46Å; R388-E451 WeakPolarHBondContact CD-OE2 3.48Å; R388-E451 IonicContact CZ-OE1 3.27Å; R388-E451 IonicContact CZ-OE2 3.43Å; R388-E451 IonicContact NE-OE1 3.88Å; R388-E451 PolarHBondContact NE-OE1 3.43Å; R388-E451 IonicContact NE-OE2 3.27Å; R388-E451 PolarHBondContact NE-OE2 3Å; R388-E451 IonicContact NH2-OE1 2.64Å; R388-E451 PolarHBondContact NH2-OE1 3.42Å; R388-E451 IonicContact NH2-OE2 3.1Å
389	I	97	Very high	93	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.5	-174.9	-173.9	66.5	0	0	0	110.7	V387 I391 Y400 R401 A403 L428 F437 F441 V442	V387-I389 PolarHBondContact O-N 2.73Å; I389-I391 HydrophobicContact CG2-CG2 4.3Å; I389-Y400 CarbonylContact O-C 3.42Å; I389-Y400 VanDerWaalsContact O-CA 3.25Å; I389-Y400 WeakPolarHBondContact O-CA 3.31Å; I389-R401 HydrophobicContact CG2-CB 4.26Å; I389-R401 WeakPolarHBondContact CG2-O 3.21Å; I389-R401 PolarHBondContact N-O 2.78Å; I389-R401 PolarHBondContact O-N 2.74Å; I389-A403 HydrophobicContact CG2-CB 3.86Å; I389-L428 HydrophobicContact CB-CD1 3.83Å; I389-L428 HydrophobicContact CD1-CD1 3.85Å; I389-L428 HydrophobicContact CG1-CD1 3.75Å; I389-L428 HydrophobicContact CG2-CD1 4.21Å; I389-F437 HydrophobicContact CD1-CB 3.74Å; I389-F437 HydrophobicContact CD1-CD1 3.66Å; I389-F437 HydrophobicContact CD1-CD2 4.47Å; I389-F437 HydrophobicContact CD1-CE1 4.33Å; I389-F437 HydrophobicContact CD1-CG 3.73Å; I389-F437 HydrophobicContact CG1-CB 4.34Å; I389-F437 HydrophobicContact CG1-CD1 3.66Å; I389-F437 HydrophobicContact CG1-CD2 4.15Å; I389-F437 HydrophobicContact CG1-CE1 3.85Å; I389-F437 HydrophobicContact CG1-CE2 4.29Å; I389-F437 HydrophobicContact CG1-CG 3.81Å; I389-F437 HydrophobicContact CG1-CZ 4.15Å; I389-F441 HydrophobicContact CD1-CB 3.66Å; I389-V442 HydrophobicContact CD1-CG2 4.39Å
390	G	95.3	Very high	93.1	Very high	15 Å²	15	60.8 Å²	60.8	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.7	170.3	0	0	0	0	0	110.3	Y400 F441	G390-Y400 VanDerWaalsContact CA-CD1 3.47Å; G390-F441 PolarHBondContact N-O 3.2Å
391	I	92.9	Very high	93.2	Very high	76 Å²	76	56.4 Å²	56.4	39%	0.39	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-4.3	-177.1	62.2	161.1	0	0	0	113.8	I389 V399 R401 F437	I389-I391 HydrophobicContact CG2-CG2 4.3Å; I391-V399 HydrophobicContact CD1-CB 4.36Å; I391-V399 HydrophobicContact CD1-CG1 3.86Å; I391-V399 HydrophobicContact CG1-CB 4.02Å; I391-V399 HydrophobicContact CG1-CG1 3.94Å; I391-V399 WeakPolarHBondContact CG1-O 3.49Å; I391-V399 PolarHBondContact N-O 3.39Å; I391-R401 HydrophobicContact CD1-CG 4.15Å; I391-R401 HydrophobicContact CG2-CG 4.39Å; I391-F437 HydrophobicContact CG2-CZ 4.34Å
392	G	90.3	Very high	93.4	Very high	40 Å²	40	55.7 Å²	55.7	41%	0.412	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-163.9	-176.9	0	0	0	0	0	111.9	V399	G392-V399 PolarHBondContact O-N 2.65Å
393	N	92.7	Very high	93.5	Very high	120 Å²	120	55.8 Å²	55.8	64%	0.642	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.7	179.2	-65.3	62.5	0	0	0	110.7	S396 K397	N393-S396 PolarHBondContact ND2-O 3.41Å; N393-K397 CarbonylContact C-O 3.59Å; N393-K397 WeakPolarHBondContact CA-O 3.48Å
394	H	86.8	Confident	93.5	Very high	123 Å²	123	55.9 Å²	55.9	57%	0.569	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.5	175.5	-178.3	-87.9	0	0	0	108.9	S396 K397 V399	H394-S396 PolarHBondContact O-N 3.25Å; H394-K397 PolarHBondContact N-O 2.85Å; H394-K397 PolarHBondContact O-N 3.07Å; H394-V399 HydrophobicContact CB-CG2 3.51Å
395	N	84.7	Confident	93.7	Very high	133 Å²	133	54.5 Å²	54.5	71%	0.711	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	57.4	-173.7	-60.1	-6.6	0	0	0	111.4	K397	N395-K397 PolarHBondContact O-N 3.1Å
396	S	87	Confident	93.7	Very high	108 Å²	108	56 Å²	56	76%	0.755	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	-27.7	-169.6	73.1	0	0	0	0	117.6	N393 H394	N393-S396 PolarHBondContact ND2-O 3.41Å; H394-S396 PolarHBondContact O-N 3.25Å
397	K	89.5	Confident	93.7	Very high	157 Å²	157	56 Å²	56	68%	0.683	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	134	-178	-63.9	-179.9	177.1	-178.6	0	111.9	N393 H394 N395 V399	N393-K397 CarbonylContact C-O 3.59Å; N393-K397 WeakPolarHBondContact CA-O 3.48Å; H394-K397 PolarHBondContact N-O 2.85Å; H394-K397 PolarHBondContact O-N 3.07Å; N395-K397 PolarHBondContact O-N 3.1Å; K397-V399 PolarHBondContact O-N 2.92Å
398	P	92.5	Very high	93.6	Very high	74 Å²	74	57.8 Å²	57.8	48%	0.481	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.4	174.2	28.9	-33.6	0	0	0	110.1	Y400	P398-Y400 HydrophobicContact CB-CE2 3.85Å; P398-Y400 HydrophobicContact CG-CE2 4.07Å
399	V	95.3	Very high	93.6	Very high	50 Å²	50	59.1 Å²	59.1	30%	0.303	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.4	-179	-177.1	0	0	0	0	109.9	I391 G392 H394 K397	I391-V399 HydrophobicContact CD1-CB 4.36Å; I391-V399 HydrophobicContact CD1-CG1 3.86Å; I391-V399 HydrophobicContact CG1-CB 4.02Å; I391-V399 HydrophobicContact CG1-CG1 3.94Å; I391-V399 WeakPolarHBondContact CG1-O 3.49Å; I391-V399 PolarHBondContact N-O 3.39Å; G392-V399 PolarHBondContact O-N 2.65Å; H394-V399 HydrophobicContact CB-CG2 3.51Å; K397-V399 PolarHBondContact O-N 2.92Å
400	Y	95.9	Very high	93.4	Very high	69 Å²	69	64 Å²	64	27%	0.271	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	156.9	175	-61.9	-90.8	0	0	0	110.2	R388 I389 G390 P398	R388-Y400 HydrophobicContact CG-CD1 4.07Å; R388-Y400 HydrophobicContact CG-CG 4.21Å; R388-Y400 VanDerWaalsContact CZ-CD2 3.46Å; I389-Y400 CarbonylContact O-C 3.42Å; I389-Y400 VanDerWaalsContact O-CA 3.25Å; I389-Y400 WeakPolarHBondContact O-CA 3.31Å; G390-Y400 VanDerWaalsContact CA-CD1 3.47Å; P398-Y400 HydrophobicContact CB-CE2 3.85Å; P398-Y400 HydrophobicContact CG-CE2 4.07Å
401	R	94.6	Very high	93.4	Very high	85 Å²	85	64.8 Å²	64.8	32%	0.321	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.9	169	-72.5	-177.7	172.8	-173.6	1.3	109.3	I389 I391 H430 D433	I389-R401 HydrophobicContact CG2-CB 4.26Å; I389-R401 WeakPolarHBondContact CG2-O 3.21Å; I389-R401 PolarHBondContact N-O 2.78Å; I389-R401 PolarHBondContact O-N 2.74Å; I391-R401 HydrophobicContact CD1-CG 4.15Å; I391-R401 HydrophobicContact CG2-CG 4.39Å; R401-H430 PolarHBondContact NH1-CD2 3.42Å; R401-H430 VanDerWaalsContact NH1-CD2 3.34Å; R401-D433 IonicContact NH1-OD2 2.73Å; R401-D433 PolarHBondContact NH1-OD2 3.15Å
402	V	96.4	Very high	93.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.9	160.6	-175.4	0	0	0	0	107.9	L359 F386 H430 F447 E451 W455	L359-V402 HydrophobicContact CD2-CG1 3.48Å; L359-V402 VanDerWaalsContact CD2-CG1 3.48Å; F386-V402 HydrophobicContact CD1-CG1 3.9Å; V402-H430 PolarHBondContact O-ND1 3.13Å; V402-F447 HydrophobicContact CB-CD1 4.27Å; V402-F447 HydrophobicContact CB-CE1 4.11Å; V402-F447 HydrophobicContact CG1-CD1 4.31Å; V402-F447 HydrophobicContact CG1-CE1 3.88Å; V402-F447 HydrophobicContact CG1-CE2 4.47Å; V402-F447 HydrophobicContact CG1-CZ 3.99Å; V402-F447 HydrophobicContact CG2-CB 4.43Å; V402-F447 HydrophobicContact CG2-CD1 3.62Å; V402-F447 HydrophobicContact CG2-CE1 3.98Å; V402-F447 HydrophobicContact CG2-CG 4.07Å; V402-E451 HydrophobicContact CG2-CB 4.14Å; V402-W455 HydrophobicContact CB-CB 3.69Å; V402-W455 HydrophobicContact CB-CD2 4.31Å; V402-W455 HydrophobicContact CB-CG 3.73Å; V402-W455 HydrophobicContact CG1-CB 4.38Å; V402-W455 HydrophobicContact CG1-CD2 4.01Å; V402-W455 HydrophobicContact CG1-CG 3.91Å; V402-W455 HydrophobicContact CG2-CB 4Å; V402-W455 HydrophobicContact CG2-CG 4.41Å
403	A	96.4	Very high	93.5	Very high	2 Å²	2	72 Å²	72	2%	0.017	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.8	171.3	0	0	0	0	0	111.9	F386 V387 I389 L428 R429	F386-A403 CarbonylContact C-O 3.58Å; F386-A403 WeakPolarHBondContact CA-O 3.42Å; V387-A403 HydrophobicContact CG2-CB 4.49Å; V387-A403 PolarHBondContact N-O 3.24Å; V387-A403 PolarHBondContact O-N 3.04Å; I389-A403 HydrophobicContact CG2-CB 3.86Å; A403-L428 HydrophobicContact CB-CB 3.98Å; A403-L428 HydrophobicContact CB-CD1 4.23Å; A403-R429 CarbonylContact C-O 3.58Å; A403-R429 VanDerWaalsContact CA-O 3.27Å; A403-R429 WeakPolarHBondContact CA-O 3.4Å; A403-R429 WeakPolarHBondContact CB-O 3.33Å
404	E	95.9	Very high	93.5	Very high	54 Å²	54	70 Å²	70	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.2	173.1	-172.3	-158.6	170.3	0	0	109.5	F386 T406 L428 R429	F386-E404 HydrophobicContact CD1-CB 4.11Å; F386-E404 HydrophobicContact CE1-CB 3.64Å; F386-E404 HydrophobicContact CE1-CG 4.1Å; F386-E404 HydrophobicContact CE2-CG 4.44Å; F386-E404 HydrophobicContact CZ-CB 4.03Å; F386-E404 HydrophobicContact CZ-CG 3.96Å; E404-T406 PolarHBondContact O-N 3.41Å; E404-L428 CarbonylContact O-C 3.56Å; E404-L428 VanDerWaalsContact O-CA 3.28Å; E404-L428 WeakPolarHBondContact O-CA 3.28Å; E404-R429 HydrophobicContact CB-CB 4.42Å; E404-R429 PolarHBondContact N-O 3.09Å; E404-R429 PolarHBondContact O-N 3.33Å; E404-R429 IonicContact OE2-NE 2.63Å
405	I	97.2	Very high	93.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	106.6	170.3	-56.3	172.3	0	0	0	109	L364 V382 T383 G384 C385 V387 G407 L426 L428	L364-I405 HydrophobicContact CD1-CD1 4.11Å; V382-I405 HydrophobicContact CB-CD1 3.89Å; V382-I405 HydrophobicContact CG2-CD1 4.35Å; V382-I405 HydrophobicContact CG2-CG2 4.07Å; V382-I405 WeakPolarHBondContact O-CB 3.47Å; T383-I405 WeakPolarHBondContact CA-O 3.48Å; G384-I405 PolarHBondContact N-O 2.64Å; C385-I405 HydrophobicContact CB-CD1 4.36Å; C385-I405 PolarHBondContact O-N 2.67Å; V387-I405 HydrophobicContact CG1-CD1 3.79Å; V387-I405 HydrophobicContact CG1-CG1 4.19Å; V387-I405 HydrophobicContact CG2-CG1 4.14Å; I405-G407 VanDerWaalsContact C-N 3.34Å; I405-G407 WeakPolarHBondContact CG2-O 3.26Å; I405-L426 HydrophobicContact CD1-CD1 3.85Å; I405-L426 HydrophobicContact CD1-CD2 4.25Å; I405-L426 HydrophobicContact CG1-CD1 4.17Å; I405-L426 HydrophobicContact CG2-CD2 4.23Å; I405-L428 HydrophobicContact CB-CD2 4.27Å; I405-L428 HydrophobicContact CG1-CD2 3.64Å
406	T	96.1	Very high	94.3	Very high	31 Å²	31	64.2 Å²	64.2	19%	0.19	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-13.7	175.7	64.9	0	0	0	0	113.3	E404 Q427 R429 Q434	E404-T406 PolarHBondContact O-N 3.41Å; T406-Q427 PolarHBondContact N-O 2.88Å; T406-Q427 WeakPolarHBondContact OG1-CG 3.36Å; T406-Q427 PolarHBondContact OG1-O 3.41Å; T406-Q427 PolarHBondContact OG1-OE1 2.63Å; T406-Q427 VanDerWaalsContact OG1-OE1 3.06Å; T406-R429 HydrophobicContact CG2-CB 3.58Å; T406-Q434 PolarHBondContact OG1-NE2 3.44Å
407	G	96	Very high	94.5	Very high	11 Å²	11	59.2 Å²	59.2	11%	0.113	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	179.3	179.5	0	0	0	0	0	113.3	I405 Q427	I405-G407 VanDerWaalsContact C-N 3.34Å; I405-G407 WeakPolarHBondContact CG2-O 3.26Å; G407-Q427 PolarHBondContact O-N 3.21Å
408	V	96.5	Very high	94.6	Very high	37 Å²	37	53.8 Å²	53.8	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.7	175.3	-178	0	0	0	0	108.8	F378 A379 V382 K424 G425 L426	F378-V408 HydrophobicContact CD1-CG1 4.11Å; F378-V408 HydrophobicContact CD1-CG2 4.03Å; F378-V408 HydrophobicContact CE1-CB 4.45Å; F378-V408 HydrophobicContact CE1-CG1 3.82Å; F378-V408 HydrophobicContact CE1-CG2 3.75Å; A379-V408 HydrophobicContact CB-CB 4.11Å; A379-V408 HydrophobicContact CB-CG2 4.07Å; V382-V408 HydrophobicContact CG2-CG2 3.42Å; V382-V408 VanDerWaalsContact CG2-CG2 3.42Å; V408-K424 HydrophobicContact CG1-CB 4.04Å; V408-K424 HydrophobicContact CG1-CD 4.47Å; V408-G425 WeakPolarHBondContact CA-O 3.35Å; V408-L426 HydrophobicContact CG2-CD2 4.1Å
409	V	95.8	Very high	94.4	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.315	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	162.6	177.1	-62.8	0	0	0	0	110.2	K424 G425 V436	V409-K424 CarbonylContact O-C 3.58Å; V409-K424 WeakPolarHBondContact O-CA 3.32Å; V409-G425 PolarHBondContact N-O 2.81Å; V409-G425 PolarHBondContact O-N 3.44Å; V409-V436 HydrophobicContact CG2-CB 4.34Å; V409-V436 HydrophobicContact CG2-CG1 3.49Å; V409-V436 VanDerWaalsContact CG2-CG1 3.49Å; V409-V436 HydrophobicContact CG2-CG2 3.82Å
410	E	94.5	Very high	94.1	Very high	108 Å²	108	52.7 Å²	52.7	51%	0.505	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.4	171.3	-57.5	-150.5	167.9	0	0	110.7	N423 K424	E410-N423 PolarHBondContact OE2-ND2 2.87Å; E410-K424 HydrophobicContact CG-CD 4.3Å; E410-K424 IonicContact OE1-NZ 3.91Å; E410-K424 PolarHBondContact OE1-NZ 2.79Å
411	T	93.8	Very high	93.9	Very high	31 Å²	31	55.3 Å²	55.3	19%	0.19	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	145	179.3	71.6	0	0	0	0	110.5	K413 N423 V436	T411-K413 PolarHBondContact O-N 3.13Å; T411-K413 PolarHBondContact OG1-O 2.85Å; T411-N423 WeakPolarHBondContact CB-O 3.25Å; T411-N423 PolarHBondContact N-O 3.12Å; T411-N423 PolarHBondContact OG1-O 3.09Å; T411-V436 HydrophobicContact CG2-CG1 4.29Å
412	A	93.2	Very high	93.8	Very high	113 Å²	113	51.3 Å²	51.3	93%	0.934	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	-1.3	-175.3	0	0	0	0	0	115.3
413	K	93	Very high	93.7	Very high	154 Å²	154	52.1 Å²	52.1	67%	0.67	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	114.2	179.2	-67.1	-170.3	178.2	-170.7	0	110	T411 Y415	T411-K413 PolarHBondContact O-N 3.13Å; T411-K413 PolarHBondContact OG1-O 2.85Å; K413-Y415 PolarHBondContact O-N 3.21Å
414	V	92.9	Very high	93.6	Very high	78 Å²	78	53.4 Å²	53.4	47%	0.473	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	135.5	166.1	-174.3	0	0	0	0	108.8	R421 T422 N423 F502	V414-R421 HydrophobicContact CG1-CB 4.06Å; V414-T422 WeakPolarHBondContact CA-O 3.47Å; V414-N423 HydrophobicContact CG2-CB 4.32Å; V414-F502 HydrophobicContact CB-CD1 4.38Å; V414-F502 HydrophobicContact CG1-CB 4.27Å; V414-F502 HydrophobicContact CG1-CD1 3.68Å; V414-F502 HydrophobicContact CG1-CE1 4.41Å; V414-F502 HydrophobicContact CG1-CG 4.19Å; V414-F502 HydrophobicContact CG2-CD1 3.7Å; V414-F502 HydrophobicContact CG2-CE1 3.99Å
415	Y	94.3	Very high	93.6	Very high	15 Å²	15	50.9 Å²	50.9	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	168.7	177.1	63.4	-79.8	0	0	0	110.3	K413 R421 T422 K424 R438 L439 E440	K413-Y415 PolarHBondContact O-N 3.21Å; Y415-R421 WeakPolarHBondContact O-CA 3.34Å; Y415-T422 VanDerWaalsContact CD1-O 3.32Å; Y415-T422 WeakPolarHBondContact CD1-O 3.35Å; Y415-T422 HydrophobicContact CE1-CG2 4.01Å; Y415-T422 HydrophobicContact CE2-CG2 4.01Å; Y415-T422 PolarHBondContact N-O 3.34Å; Y415-T422 PolarHBondContact O-N 3.45Å; Y415-K424 WeakPolarHBondContact CE1-O 3.44Å; Y415-K424 PolarHBondContact OH-O 3.3Å; Y415-R438 HydrophobicContact CD1-CG 4Å; Y415-R438 HydrophobicContact CD2-CB 4.39Å; Y415-R438 HydrophobicContact CE1-CB 4.07Å; Y415-R438 HydrophobicContact CE1-CG 3.66Å; Y415-R438 HydrophobicContact CE2-CB 3.8Å; Y415-R438 HydrophobicContact CE2-CG 4.21Å; Y415-R438 HydrophobicContact CG-CG 4.42Å; Y415-L439 HydrophobicContact CE2-CB 4.5Å; Y415-L439 WeakPolarHBondContact OH-CB 3.26Å; Y415-L439 WeakPolarHBondContact OH-CD1 3.17Å; Y415-L439 PolarHBondContact OH-N 3Å; Y415-E440 HydrophobicContact CD2-CB 4.24Å; Y415-E440 HydrophobicContact CD2-CG 4.37Å; Y415-E440 WeakPolarHBondContact CD2-OE2 3.49Å; Y415-E440 HydrophobicContact CE2-CB 4.16Å; Y415-E440 HydrophobicContact CE2-CG 4.4Å
416	Q	92.9	Very high	93.6	Very high	120 Å²	120	50.9 Å²	50.9	56%	0.561	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.9	179.1	-176	162.8	-18.9	0	0	110.4	G418	Q416-G418 WeakPolarHBondContact CG-O 3.06Å; Q416-G418 PolarHBondContact NE2-O 3.21Å
417	L	92.3	Very high	93.7	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	92.7	176.8	-180	65.9	0	0	0	107.1	R366 E370 C373 G419 T420 T422 L439	R366-L417 HydrophobicContact CG-CD1 3.98Å; E370-L417 HydrophobicContact CB-CD2 4.2Å; E370-L417 HydrophobicContact CB-CG 4.2Å; E370-L417 HydrophobicContact CG-CG 4.27Å; C373-L417 HydrophobicContact CB-CD2 4.48Å; L417-G419 PolarHBondContact O-N 2.83Å; L417-T420 HydrophobicContact CB-CG2 4.34Å; L417-T420 PolarHBondContact N-O 2.88Å; L417-T420 WeakPolarHBondContact O-CG2 3.35Å; L417-T420 PolarHBondContact O-N 2.85Å; L417-T422 HydrophobicContact CB-CG2 4.19Å; L417-T422 HydrophobicContact CD2-CG2 4.2Å; L417-L439 HydrophobicContact CD1-CB 3.76Å; L417-L439 HydrophobicContact CD2-CB 3.71Å; L417-L439 HydrophobicContact CD2-CD2 3.54Å; L417-L439 HydrophobicContact CD2-CG 4.29Å; L417-L439 HydrophobicContact CG-CB 4.38Å
418	G	90.6	Very high	93.7	Very high	44 Å²	44	52 Å²	52	45%	0.454	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-118.8	-174.8	0	0	0	0	0	112.1	E370 Q416 T420	E370-G418 WeakPolarHBondContact OE1-CA 3.46Å; Q416-G418 WeakPolarHBondContact CG-O 3.06Å; Q416-G418 PolarHBondContact NE2-O 3.21Å; G418-T420 VanDerWaalsContact C-N 3.3Å; G418-T420 PolarHBondContact O-N 2.93Å
419	G	88	Confident	93.7	Very high	73 Å²	73	53.3 Å²	53.3	75%	0.753	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.3	179.7	0	0	0	0	0	115.3	E370 L417	E370-G419 PolarHBondContact OE1-N 3.05Å; L417-G419 PolarHBondContact O-N 2.83Å
420	T	89.5	Confident	93.6	Very high	28 Å²	28	51.9 Å²	51.9	17%	0.172	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	172.1	-176.5	-161.4	0	0	0	0	113.3	E370 H374 L417 G418	E370-T420 HydrophobicContact CG-CG2 4.29Å; H374-T420 PolarHBondContact NE2-OG1 2.9Å; L417-T420 HydrophobicContact CB-CG2 4.34Å; L417-T420 PolarHBondContact N-O 2.88Å; L417-T420 WeakPolarHBondContact O-CG2 3.35Å; L417-T420 PolarHBondContact O-N 2.85Å; G418-T420 VanDerWaalsContact C-N 3.3Å; G418-T420 PolarHBondContact O-N 2.93Å
421	R	91.1	Very high	93.5	Very high	124 Å²	124	46.8 Å²	46.8	47%	0.468	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.6	173	-69.8	179.4	179.2	173.6	-1.6	109.2	H374 V414 Y415 F502	H374-R421 PolarHBondContact CE1-O 3.13Å; H374-R421 VanDerWaalsContact CE1-O 3.24Å; H374-R421 PolarHBondContact NE2-O 3.09Å; V414-R421 HydrophobicContact CG1-CB 4.06Å; Y415-R421 WeakPolarHBondContact O-CA 3.34Å; R421-F502 HydrophobicContact CB-CB 3.77Å; R421-F502 HydrophobicContact CB-CG 4.42Å; R421-F502 WeakPolarHBondContact O-CD2 3.34Å
422	T	93.1	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	156.8	179.7	-171.3	0	0	0	0	111	V414 Y415 L417 K424	V414-T422 WeakPolarHBondContact CA-O 3.47Å; Y415-T422 VanDerWaalsContact CD1-O 3.32Å; Y415-T422 WeakPolarHBondContact CD1-O 3.35Å; Y415-T422 HydrophobicContact CE1-CG2 4.01Å; Y415-T422 HydrophobicContact CE2-CG2 4.01Å; Y415-T422 PolarHBondContact N-O 3.34Å; Y415-T422 PolarHBondContact O-N 3.45Å; L417-T422 HydrophobicContact CB-CG2 4.19Å; L417-T422 HydrophobicContact CD2-CG2 4.2Å; T422-K424 WeakPolarHBondContact OG1-CG 3.4Å; T422-K424 PolarHBondContact OG1-N 3.48Å
423	N	94	Very high	93.6	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-9.2	167.7	71.8	-19	0	0	0	113	E410 T411 V414 F502	E410-N423 PolarHBondContact OE2-ND2 2.87Å; T411-N423 WeakPolarHBondContact CB-O 3.25Å; T411-N423 PolarHBondContact N-O 3.12Å; T411-N423 PolarHBondContact OG1-O 3.09Å; V414-N423 HydrophobicContact CG2-CB 4.32Å; N423-F502 HydrophobicContact CB-CE1 3.88Å; N423-F502 HydrophobicContact CB-CZ 4.2Å; N423-F502 WeakPolarHBondContact OD1-CZ 3.3Å
424	K	94.5	Very high	93.6	Very high	30 Å²	30	45.1 Å²	45.1	13%	0.13	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	146.9	-174.8	-48.6	-63.1	173.7	178.8	0	110.6	F378 V408 V409 E410 Y415 T422 E498	F378-K424 HydrophobicContact CE1-CB 4.48Å; V408-K424 HydrophobicContact CG1-CB 4.04Å; V408-K424 HydrophobicContact CG1-CD 4.47Å; V409-K424 CarbonylContact O-C 3.58Å; V409-K424 WeakPolarHBondContact O-CA 3.32Å; E410-K424 HydrophobicContact CG-CD 4.3Å; E410-K424 IonicContact OE1-NZ 3.91Å; E410-K424 PolarHBondContact OE1-NZ 2.79Å; Y415-K424 WeakPolarHBondContact CE1-O 3.44Å; Y415-K424 PolarHBondContact OH-O 3.3Å; T422-K424 WeakPolarHBondContact OG1-CG 3.4Å; T422-K424 PolarHBondContact OG1-N 3.48Å; K424-E498 WeakPolarHBondContact CE-OE1 3.42Å; K424-E498 IonicContact NZ-OE1 2.82Å; K424-E498 PolarHBondContact NZ-OE1 3.27Å
425	G	95.8	Very high	93.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.2	172	0	0	0	0	0	110.1	V408 V409 F437	V408-G425 WeakPolarHBondContact CA-O 3.35Å; V409-G425 PolarHBondContact N-O 2.81Å; V409-G425 PolarHBondContact O-N 3.44Å; G425-F437 CarbonylContact C-O 3.52Å; G425-F437 WeakPolarHBondContact CA-O 3.48Å
426	L	97.2	Very high	93.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.2	175.4	-56.5	180	0	0	0	108.9	L369 F378 V382 V387 I405 V408 L428 V436 F437 L439 V442	L369-L426 HydrophobicContact CD1-CD1 3.96Å; L369-L426 HydrophobicContact CD2-CD1 4.44Å; F378-L426 HydrophobicContact CE1-CD2 4.43Å; F378-L426 HydrophobicContact CZ-CD2 4.18Å; V382-L426 HydrophobicContact CG2-CD2 4.27Å; V387-L426 HydrophobicContact CG1-CD1 4.31Å; I405-L426 HydrophobicContact CD1-CD1 3.85Å; I405-L426 HydrophobicContact CD1-CD2 4.25Å; I405-L426 HydrophobicContact CG1-CD1 4.17Å; I405-L426 HydrophobicContact CG2-CD2 4.23Å; V408-L426 HydrophobicContact CG2-CD2 4.1Å; L426-L428 HydrophobicContact CB-CD2 3.6Å; L426-L428 HydrophobicContact CB-CG 3.99Å; L426-L428 HydrophobicContact CD1-CD2 4.24Å; L426-L428 PolarHBondContact O-N 3.01Å; L426-V436 WeakPolarHBondContact O-CA 3.36Å; L426-F437 PolarHBondContact N-O 3.28Å; L426-F437 PolarHBondContact O-N 3Å; L426-L439 HydrophobicContact CD1-CD1 4.49Å; L426-L439 HydrophobicContact CD2-CD1 4.06Å; L426-L439 HydrophobicContact CG-CD1 3.77Å; L426-L439 HydrophobicContact CG-CG 4.29Å; L426-V442 HydrophobicContact CD1-CG2 4.18Å
427	Q	97.4	Very high	94	Very high	62 Å²	62	47.9 Å²	47.9	29%	0.29	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	113.3	164.9	-166.2	-174.7	33.1	0	0	107.3	T406 G407 Q434 V436	T406-Q427 PolarHBondContact N-O 2.88Å; T406-Q427 WeakPolarHBondContact OG1-CG 3.36Å; T406-Q427 PolarHBondContact OG1-O 3.41Å; T406-Q427 PolarHBondContact OG1-OE1 2.63Å; T406-Q427 VanDerWaalsContact OG1-OE1 3.06Å; G407-Q427 PolarHBondContact O-N 3.21Å; Q427-Q434 VanDerWaalsContact CD-NE2 3.3Å; Q427-Q434 HydrophobicContact CG-CG 4.17Å; Q427-V436 HydrophobicContact CG-CG2 4.46Å
428	L	97.1	Very high	94.2	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.5	-172.6	-61.3	-171.2	0	0	0	111.3	V387 I389 A403 E404 I405 L426 Q434 R435 F437	V387-L428 HydrophobicContact CG2-CD1 3.79Å; V387-L428 HydrophobicContact CG2-CD2 3.53Å; V387-L428 HydrophobicContact CG2-CG 4.35Å; I389-L428 HydrophobicContact CB-CD1 3.83Å; I389-L428 HydrophobicContact CD1-CD1 3.85Å; I389-L428 HydrophobicContact CG1-CD1 3.75Å; I389-L428 HydrophobicContact CG2-CD1 4.21Å; A403-L428 HydrophobicContact CB-CB 3.98Å; A403-L428 HydrophobicContact CB-CD1 4.23Å; E404-L428 CarbonylContact O-C 3.56Å; E404-L428 VanDerWaalsContact O-CA 3.28Å; E404-L428 WeakPolarHBondContact O-CA 3.28Å; I405-L428 HydrophobicContact CB-CD2 4.27Å; I405-L428 HydrophobicContact CG1-CD2 3.64Å; L426-L428 HydrophobicContact CB-CD2 3.6Å; L426-L428 HydrophobicContact CB-CG 3.99Å; L426-L428 HydrophobicContact CD1-CD2 4.24Å; L426-L428 PolarHBondContact O-N 3.01Å; L428-Q434 CarbonylContact O-C 3.57Å; L428-Q434 VanDerWaalsContact O-CA 3.3Å; L428-Q434 WeakPolarHBondContact O-CA 3.16Å; L428-R435 PolarHBondContact N-O 3.31Å; L428-R435 PolarHBondContact O-N 2.86Å; L428-F437 HydrophobicContact CB-CD2 4.05Å; L428-F437 HydrophobicContact CD1-CB 3.92Å; L428-F437 HydrophobicContact CD1-CD2 3.71Å; L428-F437 HydrophobicContact CD1-CE2 4.48Å; L428-F437 HydrophobicContact CD1-CG 4.05Å; L428-F437 HydrophobicContact CG-CB 4.46Å; L428-F437 HydrophobicContact CG-CD2 4.1Å
429	R	95.8	Very high	94.4	Very high	65 Å²	65	49.2 Å²	49.2	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.3	174.4	-179.9	-171.7	-60	-74.2	-1.4	110.9	A403 E404 T406 G431 D433 M464	A403-R429 CarbonylContact C-O 3.58Å; A403-R429 VanDerWaalsContact CA-O 3.27Å; A403-R429 WeakPolarHBondContact CA-O 3.4Å; A403-R429 WeakPolarHBondContact CB-O 3.33Å; E404-R429 HydrophobicContact CB-CB 4.42Å; E404-R429 PolarHBondContact N-O 3.09Å; E404-R429 PolarHBondContact O-N 3.33Å; E404-R429 IonicContact OE2-NE 2.63Å; T406-R429 HydrophobicContact CG2-CB 3.58Å; R429-G431 VanDerWaalsContact CG-O 3.28Å; R429-G431 WeakPolarHBondContact CG-O 2.9Å; R429-D433 CarbonylContact C-O 3.54Å; R429-D433 WeakPolarHBondContact CA-O 3.29Å; R429-M464 HydrophobicContact CG-CE 4.35Å
430	H	94.6	Very high	94.7	Very high	22 Å²	22	48.5 Å²	48.5	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	96.1	172.6	175.4	88.6	0	0	0	108.8	R401 V402 N432 D433 W455	R401-H430 PolarHBondContact NH1-CD2 3.42Å; R401-H430 VanDerWaalsContact NH1-CD2 3.34Å; V402-H430 PolarHBondContact O-ND1 3.13Å; H430-N432 PolarHBondContact O-N 2.85Å; H430-D433 PolarHBondContact N-O 3.38Å; H430-D433 WeakPolarHBondContact O-CB 3.27Å; H430-D433 PolarHBondContact O-N 2.94Å; H430-D433 VanDerWaalsContact O-N 3.11Å; H430-W455 AromaticContact ND1-CD1 3.82Å
431	G	92	Very high	95	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-134.9	-163.3	0	0	0	0	0	110.1	R429 D433 M464	R429-G431 VanDerWaalsContact CG-O 3.28Å; R429-G431 WeakPolarHBondContact CG-O 2.9Å; G431-D433 VanDerWaalsContact C-N 3.32Å; G431-D433 PolarHBondContact O-N 3.46Å; G431-M464 VanDerWaalsContact CA-CE 3.45Å; G431-M464 WeakPolarHBondContact O-CE 3.43Å
432	N	93.8	Very high	95.3	Very high	125 Å²	125	46.3 Å²	46.3	67%	0.668	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.5	176.8	-73.7	-30.4	0	0	0	114.8	H430 Q434 A462	H430-N432 PolarHBondContact O-N 2.85Å; N432-Q434 PolarHBondContact O-N 3.48Å; N432-A462 WeakPolarHBondContact OD1-CB 3.48Å
433	D	94.6	Very high	95.4	Very high	55 Å²	55	46.9 Å²	46.9	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	109.2	172.8	-93.1	-50.4	0	0	0	109.5	R401 R429 H430 G431 R435	R401-D433 IonicContact NH1-OD2 2.73Å; R401-D433 PolarHBondContact NH1-OD2 3.15Å; R429-D433 CarbonylContact C-O 3.54Å; R429-D433 WeakPolarHBondContact CA-O 3.29Å; H430-D433 PolarHBondContact N-O 3.38Å; H430-D433 WeakPolarHBondContact O-CB 3.27Å; H430-D433 PolarHBondContact O-N 2.94Å; H430-D433 VanDerWaalsContact O-N 3.11Å; G431-D433 VanDerWaalsContact C-N 3.32Å; G431-D433 PolarHBondContact O-N 3.46Å; D433-R435 IonicContact OD1-CZ 2.92Å; D433-R435 IonicContact OD1-NE 3.33Å; D433-R435 PolarHBondContact OD1-NE 3.22Å; D433-R435 IonicContact OD1-NH2 3.97Å; D433-R435 PolarHBondContact OD1-NH2 2.79Å
434	Q	95	Very high	95.5	Very high	82 Å²	82	48 Å²	48	38%	0.383	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.1	167.3	-163.2	-177.9	21.7	0	0	110.6	T406 Q427 L428 N432	T406-Q434 PolarHBondContact OG1-NE2 3.44Å; Q427-Q434 VanDerWaalsContact CD-NE2 3.3Å; Q427-Q434 HydrophobicContact CG-CG 4.17Å; L428-Q434 CarbonylContact O-C 3.57Å; L428-Q434 VanDerWaalsContact O-CA 3.3Å; L428-Q434 WeakPolarHBondContact O-CA 3.16Å; N432-Q434 PolarHBondContact O-N 3.48Å
435	R	95.7	Very high	95.5	Very high	149 Å²	149	52.7 Å²	52.7	56%	0.562	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146	153.8	-176.2	-57.2	-175.2	-166	-154.4	4.8	111.8	L428 D433 F437	L428-R435 PolarHBondContact N-O 3.31Å; L428-R435 PolarHBondContact O-N 2.86Å; D433-R435 IonicContact OD1-CZ 2.92Å; D433-R435 IonicContact OD1-NE 3.33Å; D433-R435 PolarHBondContact OD1-NE 3.22Å; D433-R435 IonicContact OD1-NH2 3.97Å; D433-R435 PolarHBondContact OD1-NH2 2.79Å; R435-F437 HydrophobicContact CB-CD2 4.27Å; R435-F437 HydrophobicContact CB-CE2 3.81Å
436	V	96.4	Very high	95.5	Very high	76 Å²	76	58.4 Å²	58.4	46%	0.461	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.1	173.6	179.1	0	0	0	0	109.7	V409 T411 L426 Q427	V409-V436 HydrophobicContact CG2-CB 4.34Å; V409-V436 HydrophobicContact CG2-CG1 3.49Å; V409-V436 VanDerWaalsContact CG2-CG1 3.49Å; V409-V436 HydrophobicContact CG2-CG2 3.82Å; T411-V436 HydrophobicContact CG2-CG1 4.29Å; L426-V436 WeakPolarHBondContact O-CA 3.36Å; Q427-V436 HydrophobicContact CG-CG2 4.46Å
437	F	96.4	Very high	95.5	Very high	47 Å²	47	58.8 Å²	58.8	21%	0.206	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.3	173.3	-72.3	-95.1	0	0	0	111	I389 I391 G425 L426 L428 R435	I389-F437 HydrophobicContact CD1-CB 3.74Å; I389-F437 HydrophobicContact CD1-CD1 3.66Å; I389-F437 HydrophobicContact CD1-CD2 4.47Å; I389-F437 HydrophobicContact CD1-CE1 4.33Å; I389-F437 HydrophobicContact CD1-CG 3.73Å; I389-F437 HydrophobicContact CG1-CB 4.34Å; I389-F437 HydrophobicContact CG1-CD1 3.66Å; I389-F437 HydrophobicContact CG1-CD2 4.15Å; I389-F437 HydrophobicContact CG1-CE1 3.85Å; I389-F437 HydrophobicContact CG1-CE2 4.29Å; I389-F437 HydrophobicContact CG1-CG 3.81Å; I389-F437 HydrophobicContact CG1-CZ 4.15Å; I391-F437 HydrophobicContact CG2-CZ 4.34Å; G425-F437 CarbonylContact C-O 3.52Å; G425-F437 WeakPolarHBondContact CA-O 3.48Å; L426-F437 PolarHBondContact N-O 3.28Å; L426-F437 PolarHBondContact O-N 3Å; L428-F437 HydrophobicContact CB-CD2 4.05Å; L428-F437 HydrophobicContact CD1-CB 3.92Å; L428-F437 HydrophobicContact CD1-CD2 3.71Å; L428-F437 HydrophobicContact CD1-CE2 4.48Å; L428-F437 HydrophobicContact CD1-CG 4.05Å; L428-F437 HydrophobicContact CG-CB 4.46Å; L428-F437 HydrophobicContact CG-CD2 4.1Å; R435-F437 HydrophobicContact CB-CD2 4.27Å; R435-F437 HydrophobicContact CB-CE2 3.81Å
438	R	95.7	Very high	95.4	Very high	73 Å²	73	58.9 Å²	58.9	28%	0.275	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	152.9	168.8	-71.8	174	170.4	178.8	-7.7	111	Y415 E440 F441	Y415-R438 HydrophobicContact CD1-CG 4Å; Y415-R438 HydrophobicContact CD2-CB 4.39Å; Y415-R438 HydrophobicContact CE1-CB 4.07Å; Y415-R438 HydrophobicContact CE1-CG 3.66Å; Y415-R438 HydrophobicContact CE2-CB 3.8Å; Y415-R438 HydrophobicContact CE2-CG 4.21Å; Y415-R438 HydrophobicContact CG-CG 4.42Å; R438-E440 HydrophobicContact CB-CG 3.84Å; R438-E440 WeakPolarHBondContact CD-OE1 3.28Å; R438-E440 IonicContact CZ-OE1 3.02Å; R438-E440 IonicContact NE-OE1 3.49Å; R438-E440 IonicContact NH1-OE1 2.92Å; R438-E440 PolarHBondContact NH1-OE1 2.78Å; R438-E440 IonicContact NH1-OE2 3.8Å; R438-E440 PolarHBondContact O-N 3.38Å; R438-F441 HydrophobicContact CB-CD2 3.98Å; R438-F441 HydrophobicContact CB-CE2 4.05Å; R438-F441 PolarHBondContact O-N 2.82Å
439	L	95.7	Very high	95.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-63.6	-21.6	178.7	-77.6	64.5	0	0	0	112.2	L369 C373 F378 Y415 L417 L426 F441 V442	L369-L439 HydrophobicContact CB-CD2 4.04Å; L369-L439 HydrophobicContact CB-CG 4.44Å; C373-L439 HydrophobicContact CB-CD2 3.92Å; F378-L439 HydrophobicContact CZ-CD2 4.06Å; Y415-L439 HydrophobicContact CE2-CB 4.5Å; Y415-L439 WeakPolarHBondContact OH-CB 3.26Å; Y415-L439 WeakPolarHBondContact OH-CD1 3.17Å; Y415-L439 PolarHBondContact OH-N 3Å; L417-L439 HydrophobicContact CD1-CB 3.76Å; L417-L439 HydrophobicContact CD2-CB 3.71Å; L417-L439 HydrophobicContact CD2-CD2 3.54Å; L417-L439 HydrophobicContact CD2-CG 4.29Å; L417-L439 HydrophobicContact CG-CB 4.38Å; L426-L439 HydrophobicContact CD1-CD1 4.49Å; L426-L439 HydrophobicContact CD2-CD1 4.06Å; L426-L439 HydrophobicContact CG-CD1 3.77Å; L426-L439 HydrophobicContact CG-CG 4.29Å; L439-F441 VanDerWaalsContact C-N 3.27Å; L439-F441 PolarHBondContact O-N 3.03Å; L439-V442 PolarHBondContact O-N 2.91Å
440	E	94.3	Very high	95.1	Very high	58 Å²	58	66 Å²	66	27%	0.271	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-61.3	-31.2	178.1	70.8	-164.8	171.5	0	0	113.4	Y415 R438 V442	Y415-E440 HydrophobicContact CD2-CB 4.24Å; Y415-E440 HydrophobicContact CD2-CG 4.37Å; Y415-E440 WeakPolarHBondContact CD2-OE2 3.49Å; Y415-E440 HydrophobicContact CE2-CB 4.16Å; Y415-E440 HydrophobicContact CE2-CG 4.4Å; R438-E440 HydrophobicContact CB-CG 3.84Å; R438-E440 WeakPolarHBondContact CD-OE1 3.28Å; R438-E440 IonicContact CZ-OE1 3.02Å; R438-E440 IonicContact NE-OE1 3.49Å; R438-E440 IonicContact NH1-OE1 2.92Å; R438-E440 PolarHBondContact NH1-OE1 2.78Å; R438-E440 IonicContact NH1-OE2 3.8Å; R438-E440 PolarHBondContact O-N 3.38Å; E440-V442 VanDerWaalsContact C-N 3.34Å; E440-V442 PolarHBondContact O-N 3.37Å
441	F	95.1	Very high	95.2	Very high	104 Å²	104	66 Å²	66	46%	0.456	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-84.6	-2	-179.1	-58.8	-66.1	0	0	0	114.3	I389 G390 R438 L439	I389-F441 HydrophobicContact CD1-CB 3.66Å; G390-F441 PolarHBondContact N-O 3.2Å; R438-F441 HydrophobicContact CB-CD2 3.98Å; R438-F441 HydrophobicContact CB-CE2 4.05Å; R438-F441 PolarHBondContact O-N 2.82Å; L439-F441 VanDerWaalsContact C-N 3.27Å; L439-F441 PolarHBondContact O-N 3.03Å
442	V	96.4	Very high	95.3	Very high	3 Å²	3	66 Å²	66	2%	0.018	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-77.4	130.9	177.8	-179.7	0	0	0	0	110.1	L369 V387 I389 L426 L439 E440	L369-V442 HydrophobicContact CD1-CB 4.06Å; L369-V442 HydrophobicContact CD1-CG1 3.84Å; L369-V442 HydrophobicContact CD1-CG2 3.85Å; V387-V442 HydrophobicContact CB-CG1 4.06Å; V387-V442 HydrophobicContact CB-CG2 4.45Å; V387-V442 HydrophobicContact CG1-CG1 4.03Å; V387-V442 HydrophobicContact CG1-CG2 4.46Å; I389-V442 HydrophobicContact CD1-CG2 4.39Å; L426-V442 HydrophobicContact CD1-CG2 4.18Å; L439-V442 PolarHBondContact O-N 2.91Å; E440-V442 VanDerWaalsContact C-N 3.34Å; E440-V442 PolarHBondContact O-N 3.37Å
443	S	95.5	Very high	95.3	Very high	11 Å²	11	64.5 Å²	64.5	8%	0.077	31%	0.313	C	S	.	.			trans	-77.3	146	176.9	163.5	0	0	0	0	112	R388 Q445	R388-S443 PolarHBondContact NH1-OG 2.7Å; R388-S443 VanDerWaalsContact O-CB 3.32Å; R388-S443 WeakPolarHBondContact O-CB 3.45Å; R388-S443 PolarHBondContact O-N 2.59Å; S443-Q445 PolarHBondContact OG-N 3.2Å
444	N	95.8	Very high	95.3	Very high	41 Å²	41	68.2 Å²	68.2	22%	0.219	33%	0.327	C	S	.	.	S	Bend	trans	-79.6	-26.9	166.7	-79	-33.3	0	0	0	113.2	R363 R366 H367	R363-N444 PolarHBondContact NH1-O 2.7Å; R366-N444 WeakPolarHBondContact CB-OD1 3.4Å; R366-N444 PolarHBondContact N-OD1 2.85Å; R366-N444 VanDerWaalsContact N-OD1 3.13Å; H367-N444 VanDerWaalsContact CD2-CG 3.49Å; H367-N444 PolarHBondContact CD2-ND2 3.03Å; H367-N444 PolarHBondContact CD2-OD1 2.89Å; H367-N444 VanDerWaalsContact CD2-OD1 3.32Å; H367-N444 PolarHBondContact N-OD1 3.34Å; H367-N444 PolarHBondContact NE2-ND2 3.2Å
445	Q	95.8	Very high	95.3	Very high	129 Å²	129	64.3 Å²	64.3	60%	0.603	31%	0.309	S	S	*	.	S	Bend	trans	-68.8	160.4	-179.3	-48.8	-47.8	90.5	0	0	112.5	R363 R388 S443	R363-Q445 PolarHBondContact NH1-O 2.88Å; R388-Q445 WeakPolarHBondContact CD-O 3.24Å; S443-Q445 PolarHBondContact OG-N 3.2Å
446	E	96.1	Very high	95.2	Very high	120 Å²	120	59.4 Å²	59.4	56%	0.561	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-74.8	162.5	176.6	-74.8	174.1	174.3	0	0	112.9	N360 R363 R388 T448	N360-E446 WeakPolarHBondContact OD1-CB 3.32Å; R363-E446 VanDerWaalsContact CZ-CG 3.41Å; R363-E446 IonicContact NH2-OE1 2.63Å; R363-E446 PolarHBondContact NH2-OE1 3.06Å; R388-E446 WeakPolarHBondContact CD-O 3.23Å; R388-E446 PolarHBondContact NE-O 3.48Å; E446-T448 PolarHBondContact O-N 3.45Å
447	F	96.2	Very high	95.1	Very high	9 Å²	9	61.3 Å²	61.3	4%	0.039	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67	124.6	174	-58.8	-55	0	0	0	109.9	L359 N360 R363 F386 R388 V402	L359-F447 HydrophobicContact CB-CD2 4.4Å; L359-F447 HydrophobicContact CD2-CD2 4.27Å; L359-F447 HydrophobicContact CD2-CE2 4.11Å; L359-F447 HydrophobicContact CG-CD2 4.48Å; L359-F447 HydrophobicContact CG-CE2 4.18Å; N360-F447 WeakPolarHBondContact OD1-CD2 3.44Å; N360-F447 PolarHBondContact OD1-N 3.48Å; R363-F447 HydrophobicContact CB-CE2 3.82Å; R363-F447 HydrophobicContact CB-CZ 4.26Å; R363-F447 HydrophobicContact CG-CD2 4.49Å; R363-F447 HydrophobicContact CG-CE2 3.78Å; R363-F447 HydrophobicContact CG-CZ 3.8Å; F386-F447 HydrophobicContact CB-CE2 4.09Å; F386-F447 HydrophobicContact CB-CZ 3.81Å; R388-F447 HydrophobicContact CB-CD1 3.88Å; R388-F447 HydrophobicContact CB-CE1 3.65Å; R388-F447 HydrophobicContact CG-CD1 4.28Å; R388-F447 HydrophobicContact CG-CE1 4.46Å; V402-F447 HydrophobicContact CB-CD1 4.27Å; V402-F447 HydrophobicContact CB-CE1 4.11Å; V402-F447 HydrophobicContact CG1-CD1 4.31Å; V402-F447 HydrophobicContact CG1-CE1 3.88Å; V402-F447 HydrophobicContact CG1-CE2 4.47Å; V402-F447 HydrophobicContact CG1-CZ 3.99Å; V402-F447 HydrophobicContact CG2-CB 4.43Å; V402-F447 HydrophobicContact CG2-CD1 3.62Å; V402-F447 HydrophobicContact CG2-CE1 3.98Å; V402-F447 HydrophobicContact CG2-CG 4.07Å
448	T	94.8	Very high	95	Very high	63 Å²	63	60.1 Å²	60.1	39%	0.387	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-76.3	151.1	168.7	67	0	0	0	0	109.7	E446 S450 E451 F452	E446-T448 PolarHBondContact O-N 3.45Å; T448-S450 PolarHBondContact O-N 2.93Å; T448-E451 WeakPolarHBondContact CG2-OE1 3.49Å; T448-E451 WeakPolarHBondContact O-CB 3.49Å; T448-E451 PolarHBondContact O-N 3.13Å; T448-E451 VanDerWaalsContact OG1-CG 3.23Å; T448-E451 WeakPolarHBondContact OG1-CG 3.21Å; T448-E451 PolarHBondContact OG1-N 2.82Å; T448-E451 PolarHBondContact OG1-OE1 3.01Å; T448-F452 PolarHBondContact O-N 3.34Å
449	E	94.7	Very high	94.9	Very high	139 Å²	139	57.1 Å²	57.1	65%	0.65	28%	0.283	S	S	*	.	H	α-helix	trans	-53.6	-40.8	177	-173	-174.2	-173.3	0	0	111.9	E451 F452 M453	E449-E451 VanDerWaalsContact C-N 3.26Å; E449-E451 PolarHBondContact O-N 3.18Å; E449-F452 PolarHBondContact O-N 3.49Å; E449-M453 HydrophobicContact CG-CG 4.34Å; E449-M453 WeakPolarHBondContact O-CB 3.17Å; E449-M453 WeakPolarHBondContact O-CG 3.43Å; E449-M453 PolarHBondContact O-N 2.78Å
450	S	93.4	Very high	94.8	Very high	80 Å²	80	63.6 Å²	63.6	56%	0.559	31%	0.312	S	S	*	.	H	α-helix	trans	-61.6	-28.4	175.7	-63.5	0	0	0	0	114.2	T448 K454	T448-S450 PolarHBondContact O-N 2.93Å; S450-K454 WeakPolarHBondContact O-CD 3.39Å; S450-K454 VanDerWaalsContact O-CG 3.29Å; S450-K454 WeakPolarHBondContact O-CG 3.22Å
451	E	95	Very high	94.8	Very high	21 Å²	21	65.8 Å²	65.8	10%	0.098	33%	0.334	C	S	.	.	H	α-helix	trans	-82.8	-40.1	175.5	-71.1	158.9	-135.9	0	0	111.3	R388 V402 T448 E449 W455	R388-E451 WeakPolarHBondContact CD-OE2 3.48Å; R388-E451 IonicContact CZ-OE1 3.27Å; R388-E451 IonicContact CZ-OE2 3.43Å; R388-E451 IonicContact NE-OE1 3.88Å; R388-E451 PolarHBondContact NE-OE1 3.43Å; R388-E451 IonicContact NE-OE2 3.27Å; R388-E451 PolarHBondContact NE-OE2 3Å; R388-E451 IonicContact NH2-OE1 2.64Å; R388-E451 PolarHBondContact NH2-OE1 3.42Å; R388-E451 IonicContact NH2-OE2 3.1Å; V402-E451 HydrophobicContact CG2-CB 4.14Å; T448-E451 WeakPolarHBondContact CG2-OE1 3.49Å; T448-E451 WeakPolarHBondContact O-CB 3.49Å; T448-E451 PolarHBondContact O-N 3.13Å; T448-E451 VanDerWaalsContact OG1-CG 3.23Å; T448-E451 WeakPolarHBondContact OG1-CG 3.21Å; T448-E451 PolarHBondContact OG1-N 2.82Å; T448-E451 PolarHBondContact OG1-OE1 3.01Å; E449-E451 VanDerWaalsContact C-N 3.26Å; E449-E451 PolarHBondContact O-N 3.18Å; E451-W455 WeakPolarHBondContact O-CB 3.32Å; E451-W455 PolarHBondContact O-N 3.34Å
452	F	95.2	Very high	94.7	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-46.7	176.9	177.1	-99.9	0	0	0	111.7	V353 S354 P356 L359 T448 E449 K454 W455 K456	V353-F452 HydrophobicContact CG1-CE2 4.26Å; V353-F452 HydrophobicContact CG1-CZ 4.3Å; V353-F452 HydrophobicContact CG2-CE2 4.14Å; V353-F452 HydrophobicContact CG2-CZ 4.19Å; S354-F452 WeakPolarHBondContact O-CE1 3.46Å; P356-F452 HydrophobicContact CB-CB 3.95Å; P356-F452 HydrophobicContact CB-CD1 4.35Å; P356-F452 HydrophobicContact CB-CD2 4.32Å; P356-F452 HydrophobicContact CB-CG 3.97Å; L359-F452 HydrophobicContact CB-CD2 4.35Å; L359-F452 HydrophobicContact CB-CE2 4.1Å; L359-F452 HydrophobicContact CD2-CD2 3.95Å; L359-F452 HydrophobicContact CD2-CE2 4.09Å; T448-F452 PolarHBondContact O-N 3.34Å; E449-F452 PolarHBondContact O-N 3.49Å; F452-K454 PolarHBondContact O-N 3.29Å; F452-W455 AromaticContact CD2-CE3 3.98Å; F452-W455 HydrophobicContact CD2-CE3 3.98Å; F452-W455 HydrophobicContact CD2-CZ3 4.06Å; F452-W455 HydrophobicContact CE2-CE3 4.05Å; F452-W455 AromaticContact CE2-CZ3 3.66Å; F452-W455 HydrophobicContact CE2-CZ3 3.66Å; F452-W455 HydrophobicContact CZ-CZ3 4.39Å; F452-W455 PolarHBondContact O-N 3.25Å; F452-K456 HydrophobicContact CE1-CD 4.13Å; F452-K456 HydrophobicContact CZ-CD 4.48Å; F452-K456 WeakPolarHBondContact O-CB 3.45Å; F452-K456 PolarHBondContact O-N 2.91Å
453	M	94	Very high	94.5	Very high	92 Å²	92	64.7 Å²	64.7	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-43.6	177.2	-70.8	-65.6	-80.5	0	0	111.9	E449 W455 K456 E457	E449-M453 HydrophobicContact CG-CG 4.34Å; E449-M453 WeakPolarHBondContact O-CB 3.17Å; E449-M453 WeakPolarHBondContact O-CG 3.43Å; E449-M453 PolarHBondContact O-N 2.78Å; M453-W455 VanDerWaalsContact C-N 3.32Å; M453-W455 PolarHBondContact O-N 2.81Å; M453-K456 WeakPolarHBondContact O-CB 3.45Å; M453-K456 PolarHBondContact O-N 3.07Å; M453-K456 VanDerWaalsContact O-N 3.15Å; M453-E457 WeakPolarHBondContact O-CG 3.41Å; M453-E457 PolarHBondContact O-N 3.32Å
454	K	93.7	Very high	94.2	Very high	133 Å²	133	66.5 Å²	66.5	58%	0.578	36%	0.358	S	S	*	.	H	α-helix	trans	-64.8	-33.1	175.4	-74.5	174.9	-176.6	172.5	0	113.7	S450 F452 A458	S450-K454 WeakPolarHBondContact O-CD 3.39Å; S450-K454 VanDerWaalsContact O-CG 3.29Å; S450-K454 WeakPolarHBondContact O-CG 3.22Å; F452-K454 PolarHBondContact O-N 3.29Å; K454-A458 WeakPolarHBondContact O-CB 3.42Å; K454-A458 PolarHBondContact O-N 2.78Å
455	W	95.4	Very high	93.8	Very high	1 Å²	1	72.5 Å²	72.5	0%	0.004	39%	0.385	C	S	.	.	H	α-helix	trans	-70.7	-40.9	171.7	166.4	80.5	0	0	0	111.6	V353 L359 F386 V402 H430 E451 F452 M453 A458 M459 L466 P467	V353-W455 HydrophobicContact CG1-CH2 3.86Å; V353-W455 HydrophobicContact CG1-CZ3 3.9Å; L359-W455 HydrophobicContact CD1-CH2 4.15Å; L359-W455 HydrophobicContact CD2-CE3 4.2Å; L359-W455 HydrophobicContact CD2-CH2 4.13Å; L359-W455 HydrophobicContact CD2-CZ3 3.94Å; F386-W455 HydrophobicContact CD1-CZ2 4.5Å; F386-W455 AromaticContact CE1-CE2 3.99Å; F386-W455 HydrophobicContact CE1-CH2 4.34Å; F386-W455 AromaticContact CE1-CZ2 3.56Å; F386-W455 HydrophobicContact CE1-CZ2 3.56Å; F386-W455 HydrophobicContact CZ-CZ2 4Å; V402-W455 HydrophobicContact CB-CB 3.69Å; V402-W455 HydrophobicContact CB-CD2 4.31Å; V402-W455 HydrophobicContact CB-CG 3.73Å; V402-W455 HydrophobicContact CG1-CB 4.38Å; V402-W455 HydrophobicContact CG1-CD2 4.01Å; V402-W455 HydrophobicContact CG1-CG 3.91Å; V402-W455 HydrophobicContact CG2-CB 4Å; V402-W455 HydrophobicContact CG2-CG 4.41Å; H430-W455 AromaticContact ND1-CD1 3.82Å; E451-W455 WeakPolarHBondContact O-CB 3.32Å; E451-W455 PolarHBondContact O-N 3.34Å; F452-W455 AromaticContact CD2-CE3 3.98Å; F452-W455 HydrophobicContact CD2-CE3 3.98Å; F452-W455 HydrophobicContact CD2-CZ3 4.06Å; F452-W455 HydrophobicContact CE2-CE3 4.05Å; F452-W455 AromaticContact CE2-CZ3 3.66Å; F452-W455 HydrophobicContact CE2-CZ3 3.66Å; F452-W455 HydrophobicContact CZ-CZ3 4.39Å; F452-W455 PolarHBondContact O-N 3.25Å; M453-W455 VanDerWaalsContact C-N 3.32Å; M453-W455 PolarHBondContact O-N 2.81Å; W455-A458 CarbonylContact O-C 3.56Å; W455-A458 PolarHBondContact O-N 3.42Å; W455-A458 VanDerWaalsContact O-N 3.11Å; W455-M459 HydrophobicContact CD2-CG 4.11Å; W455-M459 HydrophobicContact CG-CG 4.4Å; W455-M459 HydrophobicContact CZ2-CE 4.44Å; W455-M459 HydrophobicContact CZ2-CG 3.92Å; W455-M459 HydrophobicContact CZ2-SD 4.31Å; W455-M459 VanDerWaalsContact O-CG 3.27Å; W455-M459 WeakPolarHBondContact O-CG 3.34Å; W455-M459 PolarHBondContact O-N 3.12Å; W455-L466 HydrophobicContact CH2-CD2 3.84Å; W455-L466 HydrophobicContact CZ2-CD2 4.38Å; W455-L466 HydrophobicContact CZ3-CD2 3.99Å; W455-P467 HydrophobicContact CH2-CG 4.16Å
456	K	93.6	Very high	93.6	Very high	45 Å²	45	67.2 Å²	67.2	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-44.5	174.9	-170.8	160	-179.1	159.9	0	111.5	V353 F452 M453 M459 F460 L466	V353-K456 PolarHBondContact O-NZ 3.4Å; V353-K456 VanDerWaalsContact O-NZ 3.13Å; F452-K456 HydrophobicContact CE1-CD 4.13Å; F452-K456 HydrophobicContact CZ-CD 4.48Å; F452-K456 WeakPolarHBondContact O-CB 3.45Å; F452-K456 PolarHBondContact O-N 2.91Å; M453-K456 WeakPolarHBondContact O-CB 3.45Å; M453-K456 PolarHBondContact O-N 3.07Å; M453-K456 VanDerWaalsContact O-N 3.15Å; K456-M459 PolarHBondContact O-N 2.98Å; K456-F460 HydrophobicContact CD-CE2 4.5Å; K456-F460 HydrophobicContact CG-CD2 4.05Å; K456-F460 HydrophobicContact CG-CE2 3.68Å; K456-F460 WeakPolarHBondContact O-CD2 3.47Å; K456-F460 PolarHBondContact O-N 2.98Å; K456-L466 HydrophobicContact CD-CD1 4.31Å; K456-L466 HydrophobicContact CG-CD1 4.12Å; K456-L466 HydrophobicContact CG-CD2 4.44Å
457	E	94.9	Very high	93.3	Very high	116 Å²	116	62.6 Å²	62.6	54%	0.542	34%	0.341	S	S	.	.	H	α-helix	trans	-56.1	-46.6	168.7	-72.6	167.5	-179.1	0	0	112.2	M453 F460 S461	M453-E457 WeakPolarHBondContact O-CG 3.41Å; M453-E457 PolarHBondContact O-N 3.32Å; E457-F460 PolarHBondContact O-N 3.17Å; E457-S461 VanDerWaalsContact O-CB 3.26Å; E457-S461 WeakPolarHBondContact O-CB 3.27Å; E457-S461 PolarHBondContact O-N 3.38Å; E457-S461 PolarHBondContact O-OG 2.88Å
458	A	94.5	Very high	93.1	Very high	22 Å²	22	63.7 Å²	63.7	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-32.3	179.3	0	0	0	0	0	113.4	K454 W455 A462	K454-A458 WeakPolarHBondContact O-CB 3.42Å; K454-A458 PolarHBondContact O-N 2.78Å; W455-A458 CarbonylContact O-C 3.56Å; W455-A458 PolarHBondContact O-N 3.42Å; W455-A458 VanDerWaalsContact O-N 3.11Å; A458-A462 VanDerWaalsContact O-CB 3.24Å; A458-A462 WeakPolarHBondContact O-CB 3.38Å; A458-A462 PolarHBondContact O-N 3.38Å; A458-A462 VanDerWaalsContact O-N 3.11Å
459	M	93.1	Very high	92.9	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.049	34%	0.342	C	S	.	.	H	α-helix	trans	-69.7	-47.6	174.1	-68.5	-65.7	-70.4	0	0	111	W455 K456 A462 G463 M464 Q465 L466	W455-M459 HydrophobicContact CD2-CG 4.11Å; W455-M459 HydrophobicContact CG-CG 4.4Å; W455-M459 HydrophobicContact CZ2-CE 4.44Å; W455-M459 HydrophobicContact CZ2-CG 3.92Å; W455-M459 HydrophobicContact CZ2-SD 4.31Å; W455-M459 VanDerWaalsContact O-CG 3.27Å; W455-M459 WeakPolarHBondContact O-CG 3.34Å; W455-M459 PolarHBondContact O-N 3.12Å; K456-M459 PolarHBondContact O-N 2.98Å; M459-A462 CarbonylContact O-C 3.57Å; M459-A462 PolarHBondContact O-N 3.48Å; M459-A462 VanDerWaalsContact O-N 3.16Å; M459-G463 PolarHBondContact O-N 3.34Å; M459-G463 VanDerWaalsContact O-N 3.16Å; M459-M464 HydrophobicContact CE-CB 3.74Å; M459-M464 HydrophobicContact CE-CE 4.15Å; M459-M464 PolarHBondContact O-N 3.35Å; M459-M464 HydrophobicContact SD-CB 4.44Å; M459-M464 HydrophobicContact SD-CE 3.66Å; M459-Q465 WeakPolarHBondContact CE-O 3.35Å; M459-L466 HydrophobicContact CB-CD2 3.77Å; M459-L466 HydrophobicContact CG-CD2 3.97Å
460	F	92.4	Very high	92.8	Very high	136 Å²	136	59.3 Å²	59.3	60%	0.596	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-43.4	174.4	-76	-55.9	0	0	0	112.1	K456 E457 A462 G463 L466	K456-F460 HydrophobicContact CD-CE2 4.5Å; K456-F460 HydrophobicContact CG-CD2 4.05Å; K456-F460 HydrophobicContact CG-CE2 3.68Å; K456-F460 WeakPolarHBondContact O-CD2 3.47Å; K456-F460 PolarHBondContact O-N 2.98Å; E457-F460 PolarHBondContact O-N 3.17Å; F460-A462 PolarHBondContact O-N 2.9Å; F460-G463 PolarHBondContact O-N 2.87Å; F460-L466 HydrophobicContact CE2-CD1 4.31Å; F460-L466 HydrophobicContact CZ-CD1 4Å
461	S	94.8	Very high	92.7	Very high	104 Å²	104	60.6 Å²	60.6	73%	0.727	32%	0.324	S	S	*	.	H	α-helix	trans	-64	-23.7	176.2	-56.5	0	0	0	0	113.1	E457	E457-S461 VanDerWaalsContact O-CB 3.26Å; E457-S461 WeakPolarHBondContact O-CB 3.27Å; E457-S461 PolarHBondContact O-N 3.38Å; E457-S461 PolarHBondContact O-OG 2.88Å
462	A	94.3	Very high	92.6	Very high	22 Å²	22	59.8 Å²	59.8	18%	0.182	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.9	174.3	0	0	0	0	0	113.6	N432 A458 M459 F460 M464	N432-A462 WeakPolarHBondContact OD1-CB 3.48Å; A458-A462 VanDerWaalsContact O-CB 3.24Å; A458-A462 WeakPolarHBondContact O-CB 3.38Å; A458-A462 PolarHBondContact O-N 3.38Å; A458-A462 VanDerWaalsContact O-N 3.11Å; M459-A462 CarbonylContact O-C 3.57Å; M459-A462 PolarHBondContact O-N 3.48Å; M459-A462 VanDerWaalsContact O-N 3.16Å; F460-A462 PolarHBondContact O-N 2.9Å; A462-M464 HydrophobicContact CB-CE 3.8Å; A462-M464 HydrophobicContact CB-CG 4.12Å; A462-M464 PolarHBondContact O-N 2.89Å
463	G	91.4	Very high	92.6	Very high	62 Å²	62	62.2 Å²	62.2	64%	0.639	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	16.3	-173.3	0	0	0	0	0	114.3	M459 F460	M459-G463 PolarHBondContact O-N 3.34Å; M459-G463 VanDerWaalsContact O-N 3.16Å; F460-G463 PolarHBondContact O-N 2.87Å
464	M	88.1	Confident	92.6	Very high	49 Å²	49	64.5 Å²	64.5	24%	0.241	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-90	144.4	-178.4	-69.1	-166.6	-64.4	0	0	111.5	R429 G431 M459 A462	R429-M464 HydrophobicContact CG-CE 4.35Å; G431-M464 VanDerWaalsContact CA-CE 3.45Å; G431-M464 WeakPolarHBondContact O-CE 3.43Å; M459-M464 HydrophobicContact CE-CB 3.74Å; M459-M464 HydrophobicContact CE-CE 4.15Å; M459-M464 PolarHBondContact O-N 3.35Å; M459-M464 HydrophobicContact SD-CB 4.44Å; M459-M464 HydrophobicContact SD-CE 3.66Å; A462-M464 HydrophobicContact CB-CE 3.8Å; A462-M464 HydrophobicContact CB-CG 4.12Å; A462-M464 PolarHBondContact O-N 2.89Å
465	Q	88.8	Confident	92.6	Very high	167 Å²	167	59.9 Å²	59.9	78%	0.78	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-69.4	143.1	176.3	-58.3	-54.3	-51.3	0	0	110.8	M459	M459-Q465 WeakPolarHBondContact CE-O 3.35Å
466	L	91	Very high	92.5	Very high	18 Å²	18	61.7 Å²	61.7	9%	0.094	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-76.5	144.9	168.7	-65.5	174.3	0	0	0	109.1	P352 V353 W455 K456 M459 F460	P352-L466 HydrophobicContact CB-CB 4.01Å; P352-L466 HydrophobicContact CB-CD1 4.45Å; V353-L466 HydrophobicContact CG1-CB 4.31Å; W455-L466 HydrophobicContact CH2-CD2 3.84Å; W455-L466 HydrophobicContact CZ2-CD2 4.38Å; W455-L466 HydrophobicContact CZ3-CD2 3.99Å; K456-L466 HydrophobicContact CD-CD1 4.31Å; K456-L466 HydrophobicContact CG-CD1 4.12Å; K456-L466 HydrophobicContact CG-CD2 4.44Å; M459-L466 HydrophobicContact CB-CD2 3.77Å; M459-L466 HydrophobicContact CG-CD2 3.97Å; F460-L466 HydrophobicContact CE2-CD1 4.31Å; F460-L466 HydrophobicContact CZ-CD1 4Å
467	P	90.7	Very high	92.5	Very high	23 Å²	23	64.3 Å²	64.3	15%	0.149	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-60.9	141.5	174.9	27.8	-35.1	0	0	0	110.6	V353 L359 F386 W455 I472	V353-P467 HydrophobicContact CB-CG 4.49Å; V353-P467 HydrophobicContact CG1-CG 3.91Å; V353-P467 PolarHBondContact N-O 3.08Å; L359-P467 HydrophobicContact CD1-CG 4.23Å; F386-P467 HydrophobicContact CE2-CG 4.31Å; F386-P467 HydrophobicContact CZ-CG 4.07Å; W455-P467 HydrophobicContact CH2-CG 4.16Å; P467-I472 HydrophobicContact CB-CG1 4.46Å; P467-I472 HydrophobicContact CG-CD1 4.44Å
468	T	91.9	Very high	92.4	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.202	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-74.9	155.4	174.9	60.5	0	0	0	0	111.2	D470 E471 I472	T468-D470 PolarHBondContact O-N 3.23Å; T468-E471 WeakPolarHBondContact CB-OE2 2.88Å; T468-E471 PolarHBondContact N-OE2 3.5Å; T468-E471 PolarHBondContact O-N 3.08Å; T468-E471 WeakPolarHBondContact OG1-CB 3.36Å; T468-E471 WeakPolarHBondContact OG1-CG 3.42Å; T468-E471 PolarHBondContact OG1-N 2.8Å; T468-E471 PolarHBondContact OG1-OE2 3.45Å; T468-I472 PolarHBondContact O-N 3.36Å; T468-I472 VanDerWaalsContact O-N 3.09Å
469	L	91.1	Very high	92.3	Very high	46 Å²	46	59.5 Å²	59.5	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-30.5	174.1	-169.8	62	0	0	0	112.3	Q351 E358 I472 N473	Q351-L469 PolarHBondContact O-N 3.15Å; E358-L469 HydrophobicContact CB-CD1 4.32Å; E358-L469 HydrophobicContact CG-CD1 4.09Å; L469-I472 PolarHBondContact O-N 3.4Å; L469-N473 WeakPolarHBondContact O-CB 3.32Å; L469-N473 PolarHBondContact O-N 3.03Å; L469-N473 PolarHBondContact O-ND2 2.98Å; L469-N473 VanDerWaalsContact O-ND2 3.16Å
470	D	90.7	Very high	92.1	Very high	64 Å²	64	63.5 Å²	63.5	34%	0.342	34%	0.339	S	S	.	.	H	α-helix	trans	-68.4	-42.1	175.8	-68.9	-18	0	0	0	112.7	S350 T468 I472 N473 K474	S350-D470 VanDerWaalsContact CB-CG 3.45Å; S350-D470 WeakPolarHBondContact CB-OD2 3.3Å; S350-D470 PolarHBondContact OG-OD2 3.39Å; T468-D470 PolarHBondContact O-N 3.23Å; D470-I472 VanDerWaalsContact C-N 3.31Å; D470-N473 PolarHBondContact O-N 3.37Å; D470-K474 VanDerWaalsContact O-CB 3.26Å; D470-K474 WeakPolarHBondContact O-CB 3.4Å; D470-K474 WeakPolarHBondContact O-CD 3.43Å; D470-K474 WeakPolarHBondContact O-CG 3.32Å; D470-K474 PolarHBondContact O-N 3.08Å
471	E	92.1	Very high	92	Very high	107 Å²	107	63.4 Å²	63.4	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-40.8	175.3	-72.7	160.8	141.6	0	0	110.6	T468 K475	T468-E471 WeakPolarHBondContact CB-OE2 2.88Å; T468-E471 PolarHBondContact N-OE2 3.5Å; T468-E471 PolarHBondContact O-N 3.08Å; T468-E471 WeakPolarHBondContact OG1-CB 3.36Å; T468-E471 WeakPolarHBondContact OG1-CG 3.42Å; T468-E471 PolarHBondContact OG1-N 2.8Å; T468-E471 PolarHBondContact OG1-OE2 3.45Å; E471-K475 WeakPolarHBondContact O-CB 3.45Å; E471-K475 PolarHBondContact O-N 2.9Å
472	I	93.8	Very high	91.7	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-51.2	173.5	-71.1	175.5	0	0	0	110.7	V353 E358 L359 R361 V362 P467 T468 L469 D470 K475 E476	V353-I472 HydrophobicContact CB-CD1 3.75Å; V353-I472 HydrophobicContact CG2-CD1 3.55Å; E358-I472 VanDerWaalsContact O-CG2 3.31Å; E358-I472 WeakPolarHBondContact O-CG2 3.38Å; L359-I472 HydrophobicContact CD1-CD1 4.17Å; R361-I472 HydrophobicContact CB-CG2 4.36Å; V362-I472 HydrophobicContact CG1-CB 4.4Å; V362-I472 HydrophobicContact CG1-CG2 4Å; V362-I472 VanDerWaalsContact CG1-O 3.25Å; V362-I472 WeakPolarHBondContact CG1-O 3.36Å; V362-I472 HydrophobicContact CG2-CG1 4.3Å; V362-I472 HydrophobicContact CG2-CG2 4.37Å; P467-I472 HydrophobicContact CB-CG1 4.46Å; P467-I472 HydrophobicContact CG-CD1 4.44Å; T468-I472 PolarHBondContact O-N 3.36Å; T468-I472 VanDerWaalsContact O-N 3.09Å; L469-I472 PolarHBondContact O-N 3.4Å; D470-I472 VanDerWaalsContact C-N 3.31Å; I472-K475 PolarHBondContact O-N 3.24Å; I472-E476 WeakPolarHBondContact O-CB 3.43Å; I472-E476 PolarHBondContact O-N 3.33Å
473	N	93.8	Very high	91.1	Very high	54 Å²	54	61.7 Å²	61.7	29%	0.289	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-43.7	-179.1	-67.7	-26.9	0	0	0	112.1	R361 L469 D470 K475 E476 L477	R361-N473 PolarHBondContact NH1-OD1 3.11Å; R361-N473 VanDerWaalsContact NH1-OD1 3.15Å; L469-N473 WeakPolarHBondContact O-CB 3.32Å; L469-N473 PolarHBondContact O-N 3.03Å; L469-N473 PolarHBondContact O-ND2 2.98Å; L469-N473 VanDerWaalsContact O-ND2 3.16Å; D470-N473 PolarHBondContact O-N 3.37Å; N473-K475 VanDerWaalsContact C-N 3.32Å; N473-K475 PolarHBondContact O-N 2.85Å; N473-E476 PolarHBondContact O-N 2.91Å; N473-L477 WeakPolarHBondContact O-CG 3.46Å; N473-L477 PolarHBondContact O-N 3.04Å
474	K	93.8	Very high	90.8	Very high	140 Å²	140	65.2 Å²	65.2	61%	0.609	33%	0.325	S	S	*	.	H	α-helix	trans	-61.1	-40.5	174.7	-72.7	163.4	-174.1	164.4	0	111.4	D470 L477 S478	D470-K474 VanDerWaalsContact O-CB 3.26Å; D470-K474 WeakPolarHBondContact O-CB 3.4Å; D470-K474 WeakPolarHBondContact O-CD 3.43Å; D470-K474 WeakPolarHBondContact O-CG 3.32Å; D470-K474 PolarHBondContact O-N 3.08Å; K474-L477 PolarHBondContact O-N 2.86Å; K474-S478 PolarHBondContact O-N 3.45Å; K474-S478 VanDerWaalsContact O-N 3.15Å
475	K	94.5	Very high	90.7	Very high	35 Å²	35	66.8 Å²	66.8	15%	0.152	33%	0.329	C	S	.	.	H	α-helix	trans	-71	-39	177.6	-168.8	73.2	-161.7	174.1	0	111.6	V362 K380 T381 T383 C385 E471 I472 N473 L477 S478 I479	V362-K475 HydrophobicContact CG1-CB 3.79Å; V362-K475 HydrophobicContact CG1-CG 4.02Å; K380-K475 PolarHBondContact O-NZ 3.02Å; T381-K475 WeakPolarHBondContact O-CE 3.2Å; T381-K475 PolarHBondContact O-NZ 2.81Å; T383-K475 VanDerWaalsContact O-CE 3.28Å; T383-K475 WeakPolarHBondContact O-CE 3.47Å; T383-K475 PolarHBondContact O-NZ 3.13Å; C385-K475 WeakPolarHBondContact SG-CE 3.44Å; E471-K475 WeakPolarHBondContact O-CB 3.45Å; E471-K475 PolarHBondContact O-N 2.9Å; I472-K475 PolarHBondContact O-N 3.24Å; N473-K475 VanDerWaalsContact C-N 3.32Å; N473-K475 PolarHBondContact O-N 2.85Å; K475-L477 VanDerWaalsContact C-N 3.33Å; K475-L477 PolarHBondContact O-N 3.39Å; K475-S478 PolarHBondContact O-N 2.95Å; K475-S478 PolarHBondContact O-OG 2.8Å; K475-I479 HydrophobicContact CG-CD1 4.44Å; K475-I479 WeakPolarHBondContact O-CG1 3.33Å; K475-I479 PolarHBondContact O-N 3.13Å
476	E	94	Very high	90.4	Very high	40 Å²	40	67.5 Å²	67.5	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-41.2	173.2	-165.7	-164.3	157.4	0	0	112	R361 V362 I472 N473 I479 K480	R361-E476 HydrophobicContact CB-CG 4.16Å; R361-E476 WeakPolarHBondContact CD-OE2 3.48Å; V362-E476 HydrophobicContact CG1-CB 4.44Å; I472-E476 WeakPolarHBondContact O-CB 3.43Å; I472-E476 PolarHBondContact O-N 3.33Å; N473-E476 PolarHBondContact O-N 2.91Å; E476-I479 WeakPolarHBondContact O-CB 3.48Å; E476-I479 PolarHBondContact O-N 3.19Å; E476-K480 WeakPolarHBondContact O-CG 3.35Å; E476-K480 PolarHBondContact O-N 3.43Å; E476-K480 WeakPolarHBondContact OE1-CE 3.45Å; E476-K480 IonicContact OE1-NZ 3.67Å; E476-K480 PolarHBondContact OE1-NZ 3.49Å
477	L	93.5	Very high	90	Very high	100 Å²	100	72.4 Å²	72.4	52%	0.524	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-48	172.1	-71.1	167.5	0	0	0	111.3	N473 K474 K475 I479 K480 E481	N473-L477 WeakPolarHBondContact O-CG 3.46Å; N473-L477 PolarHBondContact O-N 3.04Å; K474-L477 PolarHBondContact O-N 2.86Å; K475-L477 VanDerWaalsContact C-N 3.33Å; K475-L477 PolarHBondContact O-N 3.39Å; L477-I479 PolarHBondContact O-N 2.75Å; L477-K480 WeakPolarHBondContact O-CB 3.42Å; L477-K480 PolarHBondContact O-N 2.85Å; L477-E481 WeakPolarHBondContact O-CG 3.15Å; L477-E481 PolarHBondContact O-N 2.79Å
478	S	92.3	Very high	89.8	Confident	32 Å²	32	75.7 Å²	75.7	22%	0.224	37%	0.367	C	S	.	.	H	α-helix	trans	-62.1	-27.5	176	78.4	0	0	0	0	114	K474 K475 A482	K474-S478 PolarHBondContact O-N 3.45Å; K474-S478 VanDerWaalsContact O-N 3.15Å; K475-S478 PolarHBondContact O-N 2.95Å; K475-S478 PolarHBondContact O-OG 2.8Å; S478-A482 VanDerWaalsContact O-CB 3.28Å; S478-A482 WeakPolarHBondContact O-CB 3.37Å; S478-A482 PolarHBondContact O-N 3.3Å; S478-A482 VanDerWaalsContact O-N 3.1Å
479	I	91.3	Very high	89.5	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-71.6	-40.6	172.8	-72.4	166.8	0	0	0	110.3	V362 L364 W372 K475 E476 L477 A482 L483	V362-I479 HydrophobicContact CB-CD1 4.36Å; V362-I479 HydrophobicContact CG1-CD1 4.36Å; L364-I479 HydrophobicContact CD2-CD1 4.31Å; W372-I479 HydrophobicContact CH2-CG2 4.04Å; K475-I479 HydrophobicContact CG-CD1 4.44Å; K475-I479 WeakPolarHBondContact O-CG1 3.33Å; K475-I479 PolarHBondContact O-N 3.13Å; E476-I479 WeakPolarHBondContact O-CB 3.48Å; E476-I479 PolarHBondContact O-N 3.19Å; L477-I479 PolarHBondContact O-N 2.75Å; I479-A482 PolarHBondContact O-N 3.03Å; I479-L483 WeakPolarHBondContact O-CG 3.32Å; I479-L483 PolarHBondContact O-N 2.94Å
480	K	90.7	Very high	89.2	Confident	95 Å²	95	85.8 Å²	85.8	41%	0.413	41%	0.414	S	S	.	.	H	α-helix	trans	-68.2	-42.3	176.4	-70.3	169.6	-177.4	168.9	0	111.8	E476 L477 A482 L483 N484	E476-K480 WeakPolarHBondContact O-CG 3.35Å; E476-K480 PolarHBondContact O-N 3.43Å; E476-K480 WeakPolarHBondContact OE1-CE 3.45Å; E476-K480 IonicContact OE1-NZ 3.67Å; E476-K480 PolarHBondContact OE1-NZ 3.49Å; L477-K480 WeakPolarHBondContact O-CB 3.42Å; L477-K480 PolarHBondContact O-N 2.85Å; K480-A482 VanDerWaalsContact C-N 3.33Å; K480-A482 PolarHBondContact O-N 3.49Å; K480-L483 WeakPolarHBondContact O-CB 3.18Å; K480-L483 PolarHBondContact O-N 2.8Å; K480-N484 PolarHBondContact O-N 3.46Å
481	E	89.9	Confident	89	Confident	133 Å²	133	83.7 Å²	83.7	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-57.9	-44.5	171.7	-70.3	170.1	177.6	0	0	111.5	L477 L483 N484 Y485	L477-E481 WeakPolarHBondContact O-CG 3.15Å; L477-E481 PolarHBondContact O-N 2.79Å; E481-L483 VanDerWaalsContact C-N 3.3Å; E481-L483 PolarHBondContact O-N 2.96Å; E481-N484 CarbonylContact O-C 3.44Å; E481-N484 PolarHBondContact O-N 3.47Å; E481-N484 VanDerWaalsContact O-N 3.17Å; E481-Y485 PolarHBondContact O-N 2.83Å
482	A	87.3	Confident	88.7	Confident	9 Å²	9	82.4 Å²	82.4	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-71	-18.5	177.5	0	0	0	0	0	114.6	W372 F377 T381 S478 I479 K480	W372-A482 HydrophobicContact CH2-CB 4.05Å; W372-A482 HydrophobicContact CZ2-CB 3.79Å; W372-A482 PolarHBondContact NE1-O 3.34Å; F377-A482 HydrophobicContact CE2-CB 4.04Å; T381-A482 HydrophobicContact CG2-CB 3.51Å; S478-A482 VanDerWaalsContact O-CB 3.28Å; S478-A482 WeakPolarHBondContact O-CB 3.37Å; S478-A482 PolarHBondContact O-N 3.3Å; S478-A482 VanDerWaalsContact O-N 3.1Å; I479-A482 PolarHBondContact O-N 3.03Å; K480-A482 VanDerWaalsContact C-N 3.33Å; K480-A482 PolarHBondContact O-N 3.49Å
483	L	82.5	Confident	88.3	Confident	82 Å²	82	87.2 Å²	87.2	43%	0.429	42%	0.422	S	S	.	.	H	α-helix	trans	-77.9	-37.1	168	-73.2	171.9	0	0	0	111.5	W372 I479 K480 E481 Y485	W372-L483 HydrophobicContact CZ2-CD2 3.68Å; W372-L483 HydrophobicContact CZ2-CG 3.82Å; I479-L483 WeakPolarHBondContact O-CG 3.32Å; I479-L483 PolarHBondContact O-N 2.94Å; K480-L483 WeakPolarHBondContact O-CB 3.18Å; K480-L483 PolarHBondContact O-N 2.8Å; E481-L483 VanDerWaalsContact C-N 3.3Å; E481-L483 PolarHBondContact O-N 2.96Å; L483-Y485 VanDerWaalsContact C-N 3.33Å
484	N	85.7	Confident	87.9	Confident	135 Å²	135	89.6 Å²	89.6	72%	0.722	43%	0.431	S	S	*	.	S	Bend	trans	-92.7	12.5	-177.3	-66	-10.5	0	0	0	113.4	K480 E481 K486	K480-N484 PolarHBondContact O-N 3.46Å; E481-N484 CarbonylContact O-C 3.44Å; E481-N484 PolarHBondContact O-N 3.47Å; E481-N484 VanDerWaalsContact O-N 3.17Å; N484-K486 PolarHBondContact O-N 2.76Å
485	Y	85.5	Confident	87.6	Confident	82 Å²	82	83.5 Å²	83.5	32%	0.322	41%	0.405	S	S	.	.			trans	-64.4	122.4	-174.9	-172.3	-89.9	0	0	0	111.7	M375 F377 E481 L483 F487 N488 D491	M375-Y485 HydrophobicContact CE-CD1 4.46Å; F377-Y485 HydrophobicContact CD1-CD2 4.41Å; F377-Y485 HydrophobicContact CD1-CE1 4.42Å; F377-Y485 HydrophobicContact CD1-CE2 4.25Å; F377-Y485 AromaticContact CE1-CD1 3.47Å; F377-Y485 HydrophobicContact CE1-CD1 3.47Å; F377-Y485 VanDerWaalsContact CE1-CD1 3.47Å; F377-Y485 AromaticContact CE1-CD2 3.73Å; F377-Y485 HydrophobicContact CE1-CD2 3.73Å; F377-Y485 AromaticContact CE1-CE1 3.63Å; F377-Y485 HydrophobicContact CE1-CE1 3.63Å; F377-Y485 AromaticContact CE1-CE2 3.88Å; F377-Y485 HydrophobicContact CE1-CE2 3.88Å; F377-Y485 AromaticContact CE1-CG 3.51Å; F377-Y485 HydrophobicContact CE1-CG 3.51Å; F377-Y485 AromaticContact CE1-CZ 3.84Å; F377-Y485 AromaticContact CZ-CD1 3.89Å; F377-Y485 HydrophobicContact CZ-CD1 3.89Å; F377-Y485 HydrophobicContact CZ-CD2 4.04Å; F377-Y485 HydrophobicContact CZ-CE1 4.48Å; F377-Y485 AromaticContact CZ-CG 3.62Å; F377-Y485 HydrophobicContact CZ-CG 3.62Å; E481-Y485 PolarHBondContact O-N 2.83Å; L483-Y485 VanDerWaalsContact C-N 3.33Å; Y485-F487 PolarHBondContact O-N 2.94Å; Y485-N488 PolarHBondContact OH-ND2 2.91Å; Y485-D491 PolarHBondContact OH-OD2 3.1Å
486	K	82	Confident	87.1	Confident	183 Å²	183	85 Å²	85	80%	0.796	42%	0.417	S	S	*	.			trans	-81.7	108.7	173.1	-65.5	-176.1	-179.8	-178.9	0	109.1	N484 N488	N484-K486 PolarHBondContact O-N 2.76Å; K486-N488 PolarHBondContact O-N 3.03Å
487	F	83.9	Confident	86.6	Confident	121 Å²	121	88.9 Å²	88.9	53%	0.531	43%	0.433	S	S	.	.			trans	-57	131.1	176.3	-51.1	-99.1	0	0	0	111.3	M375 Y485 I492 I495	M375-F487 HydrophobicContact CE-CD1 3.83Å; M375-F487 HydrophobicContact CE-CE1 3.44Å; M375-F487 VanDerWaalsContact CE-CE1 3.44Å; M375-F487 HydrophobicContact CE-CZ 4.33Å; M375-F487 HydrophobicContact SD-CD1 4.48Å; M375-F487 HydrophobicContact SD-CE1 3.75Å; Y485-F487 PolarHBondContact O-N 2.94Å; F487-I492 HydrophobicContact CB-CD1 4.1Å; F487-I492 HydrophobicContact CB-CG1 3.87Å; F487-I495 HydrophobicContact CD1-CD1 3.74Å; F487-I495 HydrophobicContact CE1-CD1 3.92Å
488	N	86.4	Confident	86.1	Confident	91 Å²	91	84.8 Å²	84.8	49%	0.487	41%	0.411	S	S	.	.			trans	-89.7	160.2	164.6	-50.7	-85.5	0	0	0	109.3	Y485 K486 Q490 D491 I492	Y485-N488 PolarHBondContact OH-ND2 2.91Å; K486-N488 PolarHBondContact O-N 3.03Å; N488-Q490 PolarHBondContact O-N 2.94Å; N488-Q490 VanDerWaalsContact O-N 3.16Å; N488-D491 VanDerWaalsContact CB-OD2 3.25Å; N488-D491 WeakPolarHBondContact CB-OD2 3.48Å; N488-D491 PolarHBondContact N-OD2 3.5Å; N488-D491 PolarHBondContact ND2-OD2 3Å; N488-D491 WeakPolarHBondContact O-CB 3.38Å; N488-D491 PolarHBondContact O-N 3Å; N488-I492 WeakPolarHBondContact O-CG1 3.35Å; N488-I492 PolarHBondContact O-N 3.38Å
489	D	84.2	Confident	85.7	Confident	129 Å²	129	87.1 Å²	87.1	69%	0.69	42%	0.417	S	S	*	.	H	α-helix	trans	-57	-34.6	179	-59.9	-43.5	0	0	0	112.5	I492 E493	D489-I492 PolarHBondContact O-N 2.99Å; D489-E493 PolarHBondContact O-N 2.99Å
490	Q	86.2	Confident	85.2	Confident	162 Å²	162	91.5 Å²	91.5	76%	0.757	44%	0.438	S	S	*	.	H	α-helix	trans	-66.1	-38.9	175.1	-64.2	-177.6	1.2	0	0	112.8	N488 I492 E493 E494	N488-Q490 PolarHBondContact O-N 2.94Å; N488-Q490 VanDerWaalsContact O-N 3.16Å; Q490-I492 VanDerWaalsContact C-N 3.34Å; Q490-E493 PolarHBondContact O-N 2.77Å; Q490-E494 PolarHBondContact O-N 2.85Å
491	D	86.8	Confident	84.8	Confident	21 Å²	21	94.7 Å²	94.7	11%	0.112	45%	0.447	C	S	.	.	H	α-helix	trans	-66	-41	174.1	-55.4	-64.7	0	0	0	110.2	P376 Y485 N488 E493 E494 I495	P376-D491 HydrophobicContact CG-CB 4.3Å; P376-D491 WeakPolarHBondContact CG-OD1 3.48Å; Y485-D491 PolarHBondContact OH-OD2 3.1Å; N488-D491 VanDerWaalsContact CB-OD2 3.25Å; N488-D491 WeakPolarHBondContact CB-OD2 3.48Å; N488-D491 PolarHBondContact N-OD2 3.5Å; N488-D491 PolarHBondContact ND2-OD2 3Å; N488-D491 WeakPolarHBondContact O-CB 3.38Å; N488-D491 PolarHBondContact O-N 3Å; D491-E493 VanDerWaalsContact C-N 3.35Å; D491-E494 PolarHBondContact O-N 3.05Å; D491-I495 HydrophobicContact CB-CD1 4.38Å; D491-I495 VanDerWaalsContact O-CB 3.29Å; D491-I495 WeakPolarHBondContact O-CB 3.34Å; D491-I495 VanDerWaalsContact O-CD1 3.25Å; D491-I495 WeakPolarHBondContact O-CD1 3.34Å; D491-I495 WeakPolarHBondContact O-CG1 3.22Å; D491-I495 PolarHBondContact O-N 2.96Å
492	I	85	Confident	84.1	Confident	79 Å²	79	89.2 Å²	89.2	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-44.1	178	-63.3	170.1	0	0	0	110	F487 N488 D489 Q490 I495 V496	F487-I492 HydrophobicContact CB-CD1 4.1Å; F487-I492 HydrophobicContact CB-CG1 3.87Å; N488-I492 WeakPolarHBondContact O-CG1 3.35Å; N488-I492 PolarHBondContact O-N 3.38Å; D489-I492 PolarHBondContact O-N 2.99Å; Q490-I492 VanDerWaalsContact C-N 3.34Å; I492-I495 PolarHBondContact O-N 3.4Å; I492-V496 WeakPolarHBondContact O-CB 3.17Å; I492-V496 VanDerWaalsContact O-CG2 3.28Å; I492-V496 WeakPolarHBondContact O-CG2 3.47Å; I492-V496 PolarHBondContact O-N 3.5Å
493	E	85.8	Confident	83.4	Confident	105 Å²	105	95.1 Å²	95.1	49%	0.491	44%	0.442	S	S	.	.	H	α-helix	trans	-57.7	-46.7	172.6	-86.5	-167	-132.8	0	0	112.6	D489 Q490 D491 V496 K497	D489-E493 PolarHBondContact O-N 2.99Å; Q490-E493 PolarHBondContact O-N 2.77Å; D491-E493 VanDerWaalsContact C-N 3.35Å; E493-V496 PolarHBondContact O-N 2.96Å; E493-K497 WeakPolarHBondContact O-CB 3.23Å; E493-K497 VanDerWaalsContact O-CD 3.31Å; E493-K497 WeakPolarHBondContact O-CD 3.46Å; E493-K497 WeakPolarHBondContact O-CG 3.47Å; E493-K497 PolarHBondContact O-N 3.17Å; E493-K497 WeakPolarHBondContact OE2-CE 3.35Å; E493-K497 IonicContact OE2-NZ 2.67Å; E493-K497 PolarHBondContact OE2-NZ 3.04Å
494	E	85.7	Confident	82.8	Confident	104 Å²	104	99.3 Å²	99.3	49%	0.486	46%	0.456	S	S	.	.	H	α-helix	trans	-66.5	-43.2	179.1	-167.5	172.2	164.4	0	0	111.7	Q490 D491 V496 K497 E498	Q490-E494 PolarHBondContact O-N 2.85Å; D491-E494 PolarHBondContact O-N 3.05Å; E494-V496 VanDerWaalsContact C-N 3.27Å; E494-V496 PolarHBondContact O-N 2.83Å; E494-K497 PolarHBondContact O-N 3.36Å; E494-E498 WeakPolarHBondContact O-CB 3.34Å; E494-E498 PolarHBondContact O-N 2.66Å
495	I	85.8	Confident	81.9	Confident	12 Å²	12	94.9 Å²	94.9	6%	0.062	44%	0.439	C	S	.	.	H	α-helix	trans	-58.1	-38.5	173.8	-71.1	160.5	0	0	0	111.3	H374 M375 F487 D491 I492 K499	H374-I495 HydrophobicContact CB-CG2 4.45Å; H374-I495 VanDerWaalsContact O-CG1 3.28Å; H374-I495 WeakPolarHBondContact O-CG1 3.47Å; M375-I495 HydrophobicContact CE-CD1 3.97Å; M375-I495 HydrophobicContact SD-CD1 3.53Å; M375-I495 VanDerWaalsContact SD-CD1 3.53Å; M375-I495 HydrophobicContact SD-CG1 4.08Å; F487-I495 HydrophobicContact CD1-CD1 3.74Å; F487-I495 HydrophobicContact CE1-CD1 3.92Å; D491-I495 HydrophobicContact CB-CD1 4.38Å; D491-I495 VanDerWaalsContact O-CB 3.29Å; D491-I495 WeakPolarHBondContact O-CB 3.34Å; D491-I495 VanDerWaalsContact O-CD1 3.25Å; D491-I495 WeakPolarHBondContact O-CD1 3.34Å; D491-I495 WeakPolarHBondContact O-CG1 3.22Å; D491-I495 PolarHBondContact O-N 2.96Å; I492-I495 PolarHBondContact O-N 3.4Å; I495-K499 HydrophobicContact CG2-CD 3.96Å; I495-K499 WeakPolarHBondContact O-CB 3.34Å; I495-K499 WeakPolarHBondContact O-CD 3.35Å; I495-K499 WeakPolarHBondContact O-CG 3.48Å; I495-K499 PolarHBondContact O-N 2.8Å; I495-K499 VanDerWaalsContact O-N 3.14Å
496	V	83.8	Confident	81.4	Confident	67 Å²	67	92.1 Å²	92.1	41%	0.406	43%	0.431	S	S	.	.	H	α-helix	trans	-70.5	-50.9	175.9	168.1	0	0	0	0	110.5	I492 E493 E494 E498 K499 E500	I492-V496 WeakPolarHBondContact O-CB 3.17Å; I492-V496 VanDerWaalsContact O-CG2 3.28Å; I492-V496 WeakPolarHBondContact O-CG2 3.47Å; I492-V496 PolarHBondContact O-N 3.5Å; E493-V496 PolarHBondContact O-N 2.96Å; E494-V496 VanDerWaalsContact C-N 3.27Å; E494-V496 PolarHBondContact O-N 2.83Å; V496-E498 VanDerWaalsContact C-N 3.25Å; V496-E498 PolarHBondContact O-N 3.24Å; V496-K499 PolarHBondContact O-N 3.31Å; V496-K499 VanDerWaalsContact O-N 3.14Å; V496-E500 HydrophobicContact CG1-CG 4.26Å; V496-E500 WeakPolarHBondContact O-CB 3.42Å; V496-E500 WeakPolarHBondContact O-CG 3.32Å; V496-E500 PolarHBondContact O-N 3.1Å
497	K	84.1	Confident	80.7	Confident	121 Å²	121	88.1 Å²	88.1	53%	0.526	42%	0.424	S	S	.	.	H	α-helix	trans	-55.3	-41.4	178.5	-69.7	159.4	-166.6	170.4	0	111.5	E493 E494 E500 R501	E493-K497 WeakPolarHBondContact O-CB 3.23Å; E493-K497 VanDerWaalsContact O-CD 3.31Å; E493-K497 WeakPolarHBondContact O-CD 3.46Å; E493-K497 WeakPolarHBondContact O-CG 3.47Å; E493-K497 PolarHBondContact O-N 3.17Å; E493-K497 WeakPolarHBondContact OE2-CE 3.35Å; E493-K497 IonicContact OE2-NZ 2.67Å; E493-K497 PolarHBondContact OE2-NZ 3.04Å; E494-K497 PolarHBondContact O-N 3.36Å; K497-E500 PolarHBondContact O-N 3.35Å; K497-R501 PolarHBondContact O-N 2.88Å
498	E	83.6	Confident	80.5	Confident	14 Å²	14	86.1 Å²	86.1	7%	0.065	42%	0.419	C	S	.	.	H	α-helix	trans	-70.5	-40.6	178.5	-162.8	70.3	162.1	0	0	112.9	K424 E494 V496 E500 R501 F502	K424-E498 WeakPolarHBondContact CE-OE1 3.42Å; K424-E498 IonicContact NZ-OE1 2.82Å; K424-E498 PolarHBondContact NZ-OE1 3.27Å; E494-E498 WeakPolarHBondContact O-CB 3.34Å; E494-E498 PolarHBondContact O-N 2.66Å; V496-E498 VanDerWaalsContact C-N 3.25Å; V496-E498 PolarHBondContact O-N 3.24Å; E498-E500 VanDerWaalsContact C-N 3.34Å; E498-E500 PolarHBondContact O-N 3.34Å; E498-R501 WeakPolarHBondContact O-CB 3.14Å; E498-R501 PolarHBondContact O-N 3.2Å; E498-R501 IonicContact OE1-NH2 3.28Å; E498-R501 IonicContact OE2-CZ 2.68Å; E498-R501 IonicContact OE2-NE 3.68Å; E498-R501 PolarHBondContact OE2-NE 3.14Å; E498-R501 IonicContact OE2-NH2 2.63Å; E498-R501 PolarHBondContact OE2-NH2 3.45Å; E498-F502 HydrophobicContact CG-CE2 4.18Å; E498-F502 WeakPolarHBondContact O-CD2 3.19Å; E498-F502 VanDerWaalsContact O-CE2 3.3Å; E498-F502 WeakPolarHBondContact O-CE2 3.37Å
499	K	84.4	Confident	80.2	Confident	80 Å²	80	84.1 Å²	84.1	35%	0.348	41%	0.405	S	S	.	.	H	α-helix	trans	-66.7	-34.5	173.7	-74.6	168.7	-176.4	166.9	0	112.6	H374 I495 V496 R503	H374-K499 HydrophobicContact CB-CG 4.24Å; I495-K499 HydrophobicContact CG2-CD 3.96Å; I495-K499 WeakPolarHBondContact O-CB 3.34Å; I495-K499 WeakPolarHBondContact O-CD 3.35Å; I495-K499 WeakPolarHBondContact O-CG 3.48Å; I495-K499 PolarHBondContact O-N 2.8Å; I495-K499 VanDerWaalsContact O-N 3.14Å; V496-K499 PolarHBondContact O-N 3.31Å; V496-K499 VanDerWaalsContact O-N 3.14Å; K499-R503 WeakPolarHBondContact O-CD 3.45Å; K499-R503 WeakPolarHBondContact O-CG 3.28Å
500	E	80.3	Confident	80.3	Confident	97 Å²	97	81 Å²	81	45%	0.453	40%	0.397	S	S	.	.	H	α-helix	trans	-72.6	-34.2	176.5	-71.3	-164.8	156.3	0	0	112.4	V496 K497 E498 F502 R503	V496-E500 HydrophobicContact CG1-CG 4.26Å; V496-E500 WeakPolarHBondContact O-CB 3.42Å; V496-E500 WeakPolarHBondContact O-CG 3.32Å; V496-E500 PolarHBondContact O-N 3.1Å; K497-E500 PolarHBondContact O-N 3.35Å; E498-E500 VanDerWaalsContact C-N 3.34Å; E498-E500 PolarHBondContact O-N 3.34Å; E500-F502 PolarHBondContact O-N 2.9Å; E500-R503 PolarHBondContact O-N 2.88Å
501	R	81.2	Confident	80.2	Confident	161 Å²	161	79.1 Å²	79.1	61%	0.608	39%	0.389	S	S	*	.	H	α-helix	trans	-50.1	-30.1	174.3	-158.1	-164	-63.6	-130.2	4.3	113.5	K497 E498	K497-R501 PolarHBondContact O-N 2.88Å; E498-R501 WeakPolarHBondContact O-CB 3.14Å; E498-R501 PolarHBondContact O-N 3.2Å; E498-R501 IonicContact OE1-NH2 3.28Å; E498-R501 IonicContact OE2-CZ 2.68Å; E498-R501 IonicContact OE2-NE 3.68Å; E498-R501 PolarHBondContact OE2-NE 3.14Å; E498-R501 IonicContact OE2-NH2 2.63Å; E498-R501 PolarHBondContact OE2-NH2 3.45Å
502	F	76	Confident	80	Confident	18 Å²	18	81.5 Å²	81.5	8%	0.079	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	2.7	-179.8	-49.6	-59.8	0	0	0	114.8	H374 V414 R421 N423 E498 E500	H374-F502 AromaticContact CE1-CD2 3.89Å; H374-F502 AromaticContact CE1-CE2 3.94Å; V414-F502 HydrophobicContact CB-CD1 4.38Å; V414-F502 HydrophobicContact CG1-CB 4.27Å; V414-F502 HydrophobicContact CG1-CD1 3.68Å; V414-F502 HydrophobicContact CG1-CE1 4.41Å; V414-F502 HydrophobicContact CG1-CG 4.19Å; V414-F502 HydrophobicContact CG2-CD1 3.7Å; V414-F502 HydrophobicContact CG2-CE1 3.99Å; R421-F502 HydrophobicContact CB-CB 3.77Å; R421-F502 HydrophobicContact CB-CG 4.42Å; R421-F502 WeakPolarHBondContact O-CD2 3.34Å; N423-F502 HydrophobicContact CB-CE1 3.88Å; N423-F502 HydrophobicContact CB-CZ 4.2Å; N423-F502 WeakPolarHBondContact OD1-CZ 3.3Å; E498-F502 HydrophobicContact CG-CE2 4.18Å; E498-F502 WeakPolarHBondContact O-CD2 3.19Å; E498-F502 VanDerWaalsContact O-CE2 3.3Å; E498-F502 WeakPolarHBondContact O-CE2 3.37Å; E500-F502 PolarHBondContact O-N 2.9Å
503	R	73.5	Confident	80.3	Confident	133 Å²	133	81.8 Å²	81.8	50%	0.502	40%	0.397	S	S	.	.			trans	-108.8	100.5	-177.3	-74.6	175.4	172.1	-164.3	-5.5	111.2	K499 E500 A505	K499-R503 WeakPolarHBondContact O-CD 3.45Å; K499-R503 WeakPolarHBondContact O-CG 3.28Å; E500-R503 PolarHBondContact O-N 2.88Å; R503-A505 PolarHBondContact O-N 3.02Å
504	K	68.6	Low	80.5	Confident	170 Å²	170	80.6 Å²	80.6	74%	0.739	40%	0.397	S	S	*	.	S	Bend	trans	-56.7	-12.3	172.2	-71.3	-171.3	178	-177.8	0	114.2	E103	E103-K504 IonicContact OE2-NZ 2.65Å
505	A	68.2	Low	80.7	Confident	43 Å²	43	80.5 Å²	80.5	36%	0.355	40%	0.397	S	S	.	.	S	Bend	trans	-144.1	142.5	-177.2	0	0	0	0	0	111.2	R503	R503-A505 PolarHBondContact O-N 3.02Å
506	P	74.3	Confident	81	Confident	23 Å²	23	80 Å²	80	15%	0.149	39%	0.394	C	S	.	.			trans	-63.6	144.1	173.4	-19.3	32.2	0	0	0	111.6	N508 Y509 K512 L542	P506-N508 VanDerWaalsContact C-N 3.26Å; P506-N508 PolarHBondContact O-N 2.77Å; P506-Y509 HydrophobicContact CG-CE1 4.49Å; P506-K512 HydrophobicContact CB-CB 4.25Å; P506-K512 HydrophobicContact CB-CD 4.15Å; P506-K512 HydrophobicContact CG-CB 4.4Å; P506-K512 HydrophobicContact CG-CD 3.65Å; P506-L542 HydrophobicContact CG-CD2 3.75Å
507	P	67.2	Low	81.3	Confident	99 Å²	99	80.6 Å²	80.6	64%	0.643	39%	0.394	S	S	*	.	S	Bend	trans	-69.5	-25.2	176.4	29.5	-35.2	0	0	0	112.6
508	N	78.9	Confident	81.8	Confident	80 Å²	80	81.4 Å²	81.4	43%	0.428	40%	0.398	S	S	.	.			trans	-140.8	104.8	176.6	-176.6	-21.3	0	0	0	109.6	P506 A510 M511 K512	P506-N508 VanDerWaalsContact C-N 3.26Å; P506-N508 PolarHBondContact O-N 2.77Å; N508-A510 VanDerWaalsContact C-N 3.3Å; N508-A510 PolarHBondContact O-N 3.31Å; N508-A510 WeakPolarHBondContact OD1-CB 3.41Å; N508-A510 PolarHBondContact OD1-N 2.85Å; N508-M511 HydrophobicContact CB-CB 4.12Å; N508-M511 HydrophobicContact CB-CG 4.26Å; N508-M511 WeakPolarHBondContact ND2-CG 3.44Å; N508-M511 PolarHBondContact O-N 3.49Å; N508-M511 PolarHBondContact OD1-N 3.06Å; N508-M511 VanDerWaalsContact OD1-N 3.12Å; N508-K512 PolarHBondContact O-N 3.45Å; N508-K512 VanDerWaalsContact O-N 3.17Å
509	Y	81.7	Confident	82.2	Confident	49 Å²	49	84 Å²	84	19%	0.192	41%	0.41	C	S	.	.	H	α-helix	trans	-62.5	-34.4	179	-75	-93.6	0	0	0	112.7	P506 K512 K513 L542 R545 A546 L549	P506-Y509 HydrophobicContact CG-CE1 4.49Å; Y509-K512 PolarHBondContact O-N 2.82Å; Y509-K513 VanDerWaalsContact O-CB 3.23Å; Y509-K513 WeakPolarHBondContact O-CB 3.1Å; Y509-K513 PolarHBondContact O-N 3.46Å; Y509-L542 HydrophobicContact CD1-CD2 4.4Å; Y509-L542 HydrophobicContact CE1-CD2 4.32Å; Y509-R545 HydrophobicContact CE1-CB 4.33Å; Y509-R545 HydrophobicContact CE1-CG 4.15Å; Y509-R545 WeakPolarHBondContact OH-CD 3.46Å; Y509-A546 HydrophobicContact CD1-CB 3.85Å; Y509-A546 HydrophobicContact CE1-CB 4.36Å; Y509-A546 HydrophobicContact CG-CB 4.19Å; Y509-L549 HydrophobicContact CE2-CD1 3.82Å; Y509-L549 VanDerWaalsContact OH-CD1 3.26Å; Y509-L549 WeakPolarHBondContact OH-CD1 3.46Å
510	A	84.6	Confident	82.6	Confident	64 Å²	64	82.1 Å²	82.1	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-67.2	-43.4	178.7	0	0	0	0	0	111.4	N508 K513 T514	N508-A510 VanDerWaalsContact C-N 3.3Å; N508-A510 PolarHBondContact O-N 3.31Å; N508-A510 WeakPolarHBondContact OD1-CB 3.41Å; N508-A510 PolarHBondContact OD1-N 2.85Å; A510-K513 PolarHBondContact O-N 3.11Å; A510-T514 PolarHBondContact O-N 2.87Å; A510-T514 PolarHBondContact O-OG1 3.19Å
511	M	84.4	Confident	83.2	Confident	122 Å²	122	79.4 Å²	79.4	60%	0.601	40%	0.396	S	S	*	.	H	α-helix	trans	-64	-42.7	175.9	-76.6	-63.8	-61.9	0	0	112.5	N508 T514 Q515	N508-M511 HydrophobicContact CB-CB 4.12Å; N508-M511 HydrophobicContact CB-CG 4.26Å; N508-M511 WeakPolarHBondContact ND2-CG 3.44Å; N508-M511 PolarHBondContact O-N 3.49Å; N508-M511 PolarHBondContact OD1-N 3.06Å; N508-M511 VanDerWaalsContact OD1-N 3.12Å; M511-T514 PolarHBondContact O-N 3.46Å; M511-T514 PolarHBondContact O-OG1 3.27Å; M511-Q515 WeakPolarHBondContact O-CB 3.47Å; M511-Q515 PolarHBondContact O-N 2.9Å
512	K	83.8	Confident	83.8	Confident	70 Å²	70	75.8 Å²	75.8	30%	0.304	39%	0.387	S	S	.	.	H	α-helix	trans	-69.8	-34.8	176.6	-163.5	173.6	177.1	176.4	0	111.7	P506 N508 Y509 Q515 L516 L542	P506-K512 HydrophobicContact CB-CB 4.25Å; P506-K512 HydrophobicContact CB-CD 4.15Å; P506-K512 HydrophobicContact CG-CB 4.4Å; P506-K512 HydrophobicContact CG-CD 3.65Å; N508-K512 PolarHBondContact O-N 3.45Å; N508-K512 VanDerWaalsContact O-N 3.17Å; Y509-K512 PolarHBondContact O-N 2.82Å; K512-Q515 PolarHBondContact O-N 2.71Å; K512-L516 HydrophobicContact CG-CG 4.48Å; K512-L516 WeakPolarHBondContact O-CG 3.3Å; K512-L516 PolarHBondContact O-N 2.99Å; K512-L542 HydrophobicContact CB-CD1 3.96Å; K512-L542 HydrophobicContact CD-CD1 3.64Å; K512-L542 HydrophobicContact CD-CD2 4.39Å; K512-L542 HydrophobicContact CG-CD1 3.59Å
513	K	89.9	Confident	84.5	Confident	85 Å²	85	75.3 Å²	75.3	37%	0.37	39%	0.386	S	S	.	.	H	α-helix	trans	-62.5	-43.9	171.1	176.5	170.5	168.9	171.1	0	112	Y509 A510 Q515 L516 L517 E543	Y509-K513 VanDerWaalsContact O-CB 3.23Å; Y509-K513 WeakPolarHBondContact O-CB 3.1Å; Y509-K513 PolarHBondContact O-N 3.46Å; A510-K513 PolarHBondContact O-N 3.11Å; K513-Q515 VanDerWaalsContact C-N 3.34Å; K513-L516 PolarHBondContact O-N 3.38Å; K513-L517 HydrophobicContact CG-CD1 3.91Å; K513-L517 HydrophobicContact CG-CG 4.43Å; K513-L517 VanDerWaalsContact O-CB 3.32Å; K513-L517 WeakPolarHBondContact O-CB 3.36Å; K513-L517 VanDerWaalsContact O-CG 3.24Å; K513-L517 WeakPolarHBondContact O-CG 3.17Å; K513-L517 PolarHBondContact O-N 2.75Å; K513-E543 HydrophobicContact CD-CG 4.45Å; K513-E543 WeakPolarHBondContact CE-OE1 3.27Å; K513-E543 IonicContact NZ-OE1 2.77Å; K513-E543 PolarHBondContact NZ-OE1 2.95Å
514	T	89.9	Confident	85.4	Confident	81 Å²	81	73.1 Å²	73.1	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-68.6	-32.2	176.1	53.1	0	0	0	0	112.6	A510 M511 K518	A510-T514 PolarHBondContact O-N 2.87Å; A510-T514 PolarHBondContact O-OG1 3.19Å; M511-T514 PolarHBondContact O-N 3.46Å; M511-T514 PolarHBondContact O-OG1 3.27Å; T514-K518 WeakPolarHBondContact O-CB 3.45Å; T514-K518 PolarHBondContact O-N 2.82Å; T514-K518 VanDerWaalsContact O-N 3.1Å
515	Q	90.5	Very high	86.5	Confident	101 Å²	101	71.7 Å²	71.7	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-54.8	171.1	179.4	175.8	-3.9	0	0	111.5	M511 K512 K513 L517 K518 E519	M511-Q515 WeakPolarHBondContact O-CB 3.47Å; M511-Q515 PolarHBondContact O-N 2.9Å; K512-Q515 PolarHBondContact O-N 2.71Å; K513-Q515 VanDerWaalsContact C-N 3.34Å; Q515-L517 VanDerWaalsContact C-N 3.31Å; Q515-L517 PolarHBondContact O-N 3.02Å; Q515-K518 WeakPolarHBondContact O-CB 3.44Å; Q515-K518 PolarHBondContact O-N 3.19Å; Q515-E519 HydrophobicContact CG-CG 4.39Å; Q515-E519 WeakPolarHBondContact CG-OE1 3.44Å; Q515-E519 PolarHBondContact NE2-OE1 3.4Å; Q515-E519 WeakPolarHBondContact O-CG 3.12Å; Q515-E519 PolarHBondContact O-N 3.33Å
516	L	91.5	Very high	87.7	Confident	3 Å²	3	76 Å²	76	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-62.4	-36.1	178.9	-65.3	-172.6	0	0	0	112.2	K512 K513 K518 E519 K520 I535 Q538 L539 L542	K512-L516 HydrophobicContact CG-CG 4.48Å; K512-L516 WeakPolarHBondContact O-CG 3.3Å; K512-L516 PolarHBondContact O-N 2.99Å; K513-L516 PolarHBondContact O-N 3.38Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.3Å; L516-E519 PolarHBondContact O-N 3.49Å; L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 3.19Å; L516-I535 HydrophobicContact CB-CG2 3.91Å; L516-I535 HydrophobicContact CD2-CG2 4.16Å; L516-I535 WeakPolarHBondContact O-CG2 3.4Å; L516-Q538 HydrophobicContact CD1-CB 3.73Å; L516-L539 HydrophobicContact CD1-CB 4.3Å; L516-L542 HydrophobicContact CD1-CD1 3.59Å; L516-L542 HydrophobicContact CD1-CG 4.41Å; L516-L542 HydrophobicContact CG-CD1 4.43Å
517	L	91.8	Very high	88.5	Confident	78 Å²	78	77.2 Å²	77.2	41%	0.408	42%	0.416	S	S	.	.	H	α-helix	trans	-60.9	-40.2	172.5	-79	167.3	0	0	0	112.2	K513 Q515 A521 L539	K513-L517 HydrophobicContact CG-CD1 3.91Å; K513-L517 HydrophobicContact CG-CG 4.43Å; K513-L517 VanDerWaalsContact O-CB 3.32Å; K513-L517 WeakPolarHBondContact O-CB 3.36Å; K513-L517 VanDerWaalsContact O-CG 3.24Å; K513-L517 WeakPolarHBondContact O-CG 3.17Å; K513-L517 PolarHBondContact O-N 2.75Å; Q515-L517 VanDerWaalsContact C-N 3.31Å; Q515-L517 PolarHBondContact O-N 3.02Å; L517-A521 WeakPolarHBondContact O-CB 3.5Å; L517-A521 PolarHBondContact O-N 3.01Å; L517-A521 VanDerWaalsContact O-N 3.08Å; L517-L539 HydrophobicContact CD2-CD1 3.63Å; L517-L539 HydrophobicContact CG-CD1 3.82Å
518	K	92.9	Very high	89.6	Confident	139 Å²	139	75.4 Å²	75.4	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-70.6	-43.6	176.2	-172.1	-172.2	174.6	-171.4	0	111.6	T514 Q515 L516 K520 A521 M522	T514-K518 WeakPolarHBondContact O-CB 3.45Å; T514-K518 PolarHBondContact O-N 2.82Å; T514-K518 VanDerWaalsContact O-N 3.1Å; Q515-K518 WeakPolarHBondContact O-CB 3.44Å; Q515-K518 PolarHBondContact O-N 3.19Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.3Å; K518-K520 VanDerWaalsContact C-N 3.33Å; K518-A521 PolarHBondContact O-N 2.84Å; K518-M522 HydrophobicContact CG-CE 4.2Å; K518-M522 HydrophobicContact CG-SD 4.4Å; K518-M522 WeakPolarHBondContact O-CG 3.32Å; K518-M522 PolarHBondContact O-N 2.92Å
519	E	92.4	Very high	90.2	Very high	67 Å²	67	76.7 Å²	76.7	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-65.2	-37.5	178	-71.4	171	-173.9	0	0	111.6	Q515 L516 M522 A523 I535	Q515-E519 HydrophobicContact CG-CG 4.39Å; Q515-E519 WeakPolarHBondContact CG-OE1 3.44Å; Q515-E519 PolarHBondContact NE2-OE1 3.4Å; Q515-E519 WeakPolarHBondContact O-CG 3.12Å; Q515-E519 PolarHBondContact O-N 3.33Å; L516-E519 PolarHBondContact O-N 3.49Å; E519-M522 HydrophobicContact CB-CE 4.46Å; E519-M522 HydrophobicContact CG-CE 4.01Å; E519-M522 PolarHBondContact O-N 2.62Å; E519-A523 WeakPolarHBondContact O-CB 3.29Å; E519-A523 PolarHBondContact O-N 3.22Å; E519-I535 HydrophobicContact CB-CD1 4.09Å; E519-I535 HydrophobicContact CB-CG2 4.45Å
520	K	93.3	Very high	90.8	Very high	42 Å²	42	79.2 Å²	79.2	18%	0.183	42%	0.421	C	S	.	.	H	α-helix	trans	-60.7	-52.4	171	-177.6	-173.6	165.4	-176.2	0	110.9	L516 K518 M522 A523 E524 A532 I535	L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 3.19Å; K518-K520 VanDerWaalsContact C-N 3.33Å; K520-M522 VanDerWaalsContact C-N 3.32Å; K520-M522 PolarHBondContact O-N 3.24Å; K520-A523 CarbonylContact O-C 3.58Å; K520-A523 WeakPolarHBondContact O-CA 3.44Å; K520-A523 WeakPolarHBondContact O-CB 3.42Å; K520-A523 PolarHBondContact O-N 3.5Å; K520-E524 WeakPolarHBondContact CE-OE1 3.31Å; K520-E524 WeakPolarHBondContact CE-OE2 3.25Å; K520-E524 HydrophobicContact CG-CG 4.37Å; K520-E524 IonicContact NZ-OE1 2.59Å; K520-E524 WeakPolarHBondContact O-CG 3.26Å; K520-E524 PolarHBondContact O-N 3.45Å; K520-A532 HydrophobicContact CG-CB 4.49Å; K520-I535 HydrophobicContact CB-CB 4.37Å; K520-I535 HydrophobicContact CB-CG2 3.78Å
521	A	93.6	Very high	91.1	Very high	40 Å²	40	81.1 Å²	81.1	33%	0.331	42%	0.417	S	S	.	.	H	α-helix	trans	-57.1	-45.4	179.3	0	0	0	0	0	111.5	L517 K518 A523 E524 D525	L517-A521 WeakPolarHBondContact O-CB 3.5Å; L517-A521 PolarHBondContact O-N 3.01Å; L517-A521 VanDerWaalsContact O-N 3.08Å; K518-A521 PolarHBondContact O-N 2.84Å; A521-A523 VanDerWaalsContact C-N 3.31Å; A521-A523 PolarHBondContact O-N 3.14Å; A521-E524 PolarHBondContact O-N 3.14Å; A521-E524 VanDerWaalsContact O-N 3.17Å; A521-D525 WeakPolarHBondContact O-CB 3.37Å; A521-D525 VanDerWaalsContact O-CG 3.24Å; A521-D525 PolarHBondContact O-N 2.73Å
522	M	92.1	Very high	91.5	Very high	85 Å²	85	75.5 Å²	75.5	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-34.1	175.3	-67	-177.4	-54.6	0	0	112.9	K518 E519 K520 L526	K518-M522 HydrophobicContact CG-CE 4.2Å; K518-M522 HydrophobicContact CG-SD 4.4Å; K518-M522 WeakPolarHBondContact O-CG 3.32Å; K518-M522 PolarHBondContact O-N 2.92Å; E519-M522 HydrophobicContact CB-CE 4.46Å; E519-M522 HydrophobicContact CG-CE 4.01Å; E519-M522 PolarHBondContact O-N 2.62Å; K520-M522 VanDerWaalsContact C-N 3.32Å; K520-M522 PolarHBondContact O-N 3.24Å; M522-L526 VanDerWaalsContact O-CB 3.32Å; M522-L526 WeakPolarHBondContact O-CB 3.32Å; M522-L526 WeakPolarHBondContact O-CD1 3.26Å; M522-L526 WeakPolarHBondContact O-CG 3.46Å; M522-L526 PolarHBondContact O-N 2.77Å
523	A	91.8	Very high	92	Very high	7 Å²	7	77.5 Å²	77.5	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-72.3	-34.7	174.2	0	0	0	0	0	112.8	E519 K520 A521 G527 D528 K531 A532 I535	E519-A523 WeakPolarHBondContact O-CB 3.29Å; E519-A523 PolarHBondContact O-N 3.22Å; K520-A523 CarbonylContact O-C 3.58Å; K520-A523 WeakPolarHBondContact O-CA 3.44Å; K520-A523 WeakPolarHBondContact O-CB 3.42Å; K520-A523 PolarHBondContact O-N 3.5Å; A521-A523 VanDerWaalsContact C-N 3.31Å; A521-A523 PolarHBondContact O-N 3.14Å; A523-G527 PolarHBondContact O-N 2.82Å; A523-D528 PolarHBondContact O-N 2.76Å; A523-K531 HydrophobicContact CB-CB 4.04Å; A523-A532 HydrophobicContact CB-CB 4.15Å; A523-I535 HydrophobicContact CB-CD1 4.13Å
524	E	93	Very high	92.2	Very high	87 Å²	87	79 Å²	79	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-68.5	-43.7	173.4	-70.2	175.5	142.3	0	0	111	K520 A521 L526 G527 A532	K520-E524 WeakPolarHBondContact CE-OE1 3.31Å; K520-E524 WeakPolarHBondContact CE-OE2 3.25Å; K520-E524 HydrophobicContact CG-CG 4.37Å; K520-E524 IonicContact NZ-OE1 2.59Å; K520-E524 WeakPolarHBondContact O-CG 3.26Å; K520-E524 PolarHBondContact O-N 3.45Å; A521-E524 PolarHBondContact O-N 3.14Å; A521-E524 VanDerWaalsContact O-N 3.17Å; E524-L526 VanDerWaalsContact C-N 3.32Å; E524-L526 PolarHBondContact O-N 2.67Å; E524-G527 PolarHBondContact O-N 2.66Å; E524-A532 HydrophobicContact CG-CB 3.69Å
525	D	91.3	Very high	92.4	Very high	140 Å²	140	76.1 Å²	76.1	75%	0.749	39%	0.389	S	S	*	.	H	α-helix	trans	-61.4	-36.4	173.8	-70	-30.4	0	0	0	112.5	A521 G527	A521-D525 WeakPolarHBondContact O-CB 3.37Å; A521-D525 VanDerWaalsContact O-CG 3.24Å; A521-D525 PolarHBondContact O-N 2.73Å; D525-G527 VanDerWaalsContact C-N 3.28Å
526	L	92.4	Very high	92.5	Very high	133 Å²	133	73.9 Å²	73.9	70%	0.696	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.2	174.4	-75.1	167.8	0	0	0	113.7	M522 E524 D528	M522-L526 VanDerWaalsContact O-CB 3.32Å; M522-L526 WeakPolarHBondContact O-CB 3.32Å; M522-L526 WeakPolarHBondContact O-CD1 3.26Å; M522-L526 WeakPolarHBondContact O-CG 3.46Å; M522-L526 PolarHBondContact O-N 2.77Å; E524-L526 VanDerWaalsContact C-N 3.32Å; E524-L526 PolarHBondContact O-N 2.67Å; L526-D528 PolarHBondContact O-N 2.87Å
527	G	90.5	Very high	92.7	Very high	50 Å²	50	78.5 Å²	78.5	52%	0.515	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	5	-175.2	0	0	0	0	0	115.1	A523 E524 D525 Q529	A523-G527 PolarHBondContact O-N 2.82Å; E524-G527 PolarHBondContact O-N 2.66Å; D525-G527 VanDerWaalsContact C-N 3.28Å; G527-Q529 PolarHBondContact O-N 3.27Å
528	D	92	Very high	92.6	Very high	61 Å²	61	79 Å²	79	33%	0.326	40%	0.403	S	S	.	.			trans	-76	67	179.6	-88.4	-49.3	0	0	0	111.5	A523 L526 D530 K531 A532	A523-D528 PolarHBondContact O-N 2.76Å; L526-D528 PolarHBondContact O-N 2.87Å; D528-D530 PolarHBondContact O-N 3.26Å; D528-D530 VanDerWaalsContact O-N 3.08Å; D528-K531 HydrophobicContact CB-CB 4.06Å; D528-K531 HydrophobicContact CB-CD 3.76Å; D528-K531 HydrophobicContact CB-CG 4Å; D528-K531 PolarHBondContact O-N 2.9Å; D528-K531 IonicContact OD1-NZ 2.65Å; D528-K531 WeakPolarHBondContact OD2-CE 3.26Å; D528-K531 IonicContact OD2-NZ 3.29Å; D528-K531 PolarHBondContact OD2-NZ 3.34Å; D528-A532 PolarHBondContact O-N 2.86Å
529	Q	91.6	Very high	92.5	Very high	107 Å²	107	72.8 Å²	72.8	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-52.7	-33.6	-175.9	-71.7	-66.4	-50	0	0	113.9	G527 A532 K533	G527-Q529 PolarHBondContact O-N 3.27Å; Q529-A532 PolarHBondContact O-N 3.22Å; Q529-K533 VanDerWaalsContact O-CG 3.29Å; Q529-K533 WeakPolarHBondContact O-CG 3.39Å; Q529-K533 PolarHBondContact O-N 2.65Å
530	D	92.7	Very high	92.6	Very high	101 Å²	101	72.9 Å²	72.9	54%	0.54	38%	0.379	S	S	.	.	H	α-helix	trans	-77.8	-27.5	179.1	-64.3	-31.9	0	0	0	113.1	D528 K533 Q534	D528-D530 PolarHBondContact O-N 3.26Å; D528-D530 VanDerWaalsContact O-N 3.08Å; D530-K533 IonicContact OD1-NZ 2.65Å; D530-K533 PolarHBondContact OD1-NZ 3.14Å; D530-Q534 VanDerWaalsContact O-CG 3.27Å; D530-Q534 WeakPolarHBondContact O-CG 3.28Å; D530-Q534 PolarHBondContact O-N 3.13Å; D530-Q534 VanDerWaalsContact O-N 3.13Å; D530-Q534 PolarHBondContact O-NE2 3.21Å
531	K	90.9	Very high	92.4	Very high	105 Å²	105	75.5 Å²	75.5	46%	0.457	39%	0.392	S	S	.	.	H	α-helix	trans	-72.1	-43.1	168.3	-60.7	179.1	-166.8	160.3	0	110.1	A523 D528 K533 Q534 I535	A523-K531 HydrophobicContact CB-CB 4.04Å; D528-K531 HydrophobicContact CB-CB 4.06Å; D528-K531 HydrophobicContact CB-CD 3.76Å; D528-K531 HydrophobicContact CB-CG 4Å; D528-K531 PolarHBondContact O-N 2.9Å; D528-K531 IonicContact OD1-NZ 2.65Å; D528-K531 WeakPolarHBondContact OD2-CE 3.26Å; D528-K531 IonicContact OD2-NZ 3.29Å; D528-K531 PolarHBondContact OD2-NZ 3.34Å; K531-K533 VanDerWaalsContact C-N 3.28Å; K531-K533 PolarHBondContact O-N 2.92Å; K531-Q534 PolarHBondContact O-N 3.32Å; K531-I535 WeakPolarHBondContact O-CB 3.1Å; K531-I535 WeakPolarHBondContact O-CD1 3.4Å; K531-I535 VanDerWaalsContact O-CG1 3.22Å; K531-I535 WeakPolarHBondContact O-CG1 3.29Å; K531-I535 PolarHBondContact O-N 3.33Å
532	A	93.7	Very high	92.2	Very high	4 Å²	4	74.2 Å²	74.2	3%	0.033	38%	0.38	C	S	.	.	H	α-helix	trans	-57.4	-40.3	176	0	0	0	0	0	112.1	K520 A523 E524 D528 Q529 Q536	K520-A532 HydrophobicContact CG-CB 4.49Å; A523-A532 HydrophobicContact CB-CB 4.15Å; E524-A532 HydrophobicContact CG-CB 3.69Å; D528-A532 PolarHBondContact O-N 2.86Å; Q529-A532 PolarHBondContact O-N 3.22Å; A532-Q536 WeakPolarHBondContact O-CB 3.31Å; A532-Q536 PolarHBondContact O-N 2.77Å
533	K	94	Very high	92.1	Very high	111 Å²	111	73.5 Å²	73.5	48%	0.483	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-51.9	171.2	-70.4	167	-158.6	158.8	0	112.5	Q529 D530 K531 I535 Q536 D537	Q529-K533 VanDerWaalsContact O-CG 3.29Å; Q529-K533 WeakPolarHBondContact O-CG 3.39Å; Q529-K533 PolarHBondContact O-N 2.65Å; D530-K533 IonicContact OD1-NZ 2.65Å; D530-K533 PolarHBondContact OD1-NZ 3.14Å; K531-K533 VanDerWaalsContact C-N 3.28Å; K531-K533 PolarHBondContact O-N 2.92Å; K533-I535 PolarHBondContact O-N 3.3Å; K533-Q536 CarbonylContact O-C 3.51Å; K533-Q536 WeakPolarHBondContact O-CA 3.44Å; K533-Q536 WeakPolarHBondContact O-CB 3.39Å; K533-Q536 PolarHBondContact O-N 3.44Å; K533-D537 PolarHBondContact O-N 3.24Å
534	Q	95.3	Very high	92	Very high	116 Å²	116	80 Å²	80	54%	0.542	41%	0.405	S	S	.	.	H	α-helix	trans	-56.7	-38.9	178.8	-72.4	168.1	34.7	0	0	112.4	D530 K531 D537 Q538	D530-Q534 VanDerWaalsContact O-CG 3.27Å; D530-Q534 WeakPolarHBondContact O-CG 3.28Å; D530-Q534 PolarHBondContact O-N 3.13Å; D530-Q534 VanDerWaalsContact O-N 3.13Å; D530-Q534 PolarHBondContact O-NE2 3.21Å; K531-Q534 PolarHBondContact O-N 3.32Å; Q534-D537 PolarHBondContact O-N 2.79Å; Q534-Q538 WeakPolarHBondContact O-CG 3.2Å; Q534-Q538 PolarHBondContact O-N 2.98Å
535	I	92.5	Very high	91.6	Very high	22 Å²	22	80 Å²	80	11%	0.113	40%	0.401	C	S	.	.	H	α-helix	trans	-72.2	-36.8	176.8	-62.1	161.5	0	0	0	110.9	L516 E519 K520 A523 K531 K533 Q538 L539	L516-I535 HydrophobicContact CB-CG2 3.91Å; L516-I535 HydrophobicContact CD2-CG2 4.16Å; L516-I535 WeakPolarHBondContact O-CG2 3.4Å; E519-I535 HydrophobicContact CB-CD1 4.09Å; E519-I535 HydrophobicContact CB-CG2 4.45Å; K520-I535 HydrophobicContact CB-CB 4.37Å; K520-I535 HydrophobicContact CB-CG2 3.78Å; A523-I535 HydrophobicContact CB-CD1 4.13Å; K531-I535 WeakPolarHBondContact O-CB 3.1Å; K531-I535 WeakPolarHBondContact O-CD1 3.4Å; K531-I535 VanDerWaalsContact O-CG1 3.22Å; K531-I535 WeakPolarHBondContact O-CG1 3.29Å; K531-I535 PolarHBondContact O-N 3.33Å; K533-I535 PolarHBondContact O-N 3.3Å; I535-Q538 PolarHBondContact O-N 2.85Å; I535-L539 VanDerWaalsContact O-CB 3.3Å; I535-L539 WeakPolarHBondContact O-CB 3.35Å; I535-L539 PolarHBondContact O-N 3.13Å
536	Q	93.8	Very high	91.3	Very high	53 Å²	53	75 Å²	75	25%	0.248	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-40.6	171.9	-176.6	64.9	61.6	0	0	111.9	A532 K533 L539 N540	A532-Q536 WeakPolarHBondContact O-CB 3.31Å; A532-Q536 PolarHBondContact O-N 2.77Å; K533-Q536 CarbonylContact O-C 3.51Å; K533-Q536 WeakPolarHBondContact O-CA 3.44Å; K533-Q536 WeakPolarHBondContact O-CB 3.39Å; K533-Q536 PolarHBondContact O-N 3.44Å; Q536-L539 WeakPolarHBondContact O-CB 3.4Å; Q536-L539 PolarHBondContact O-N 3.35Å; Q536-N540 PolarHBondContact NE2-OD1 3.47Å; Q536-N540 PolarHBondContact O-N 3.2Å; Q536-N540 PolarHBondContact O-ND2 3.26Å; Q536-N540 PolarHBondContact O-OD1 2.79Å
537	D	94.5	Very high	91.1	Very high	101 Å²	101	73.4 Å²	73.4	54%	0.54	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-41.2	176.9	-66.8	-33.2	0	0	0	111.3	K533 Q534 L539 N540 E541	K533-D537 PolarHBondContact O-N 3.24Å; Q534-D537 PolarHBondContact O-N 2.79Å; D537-L539 VanDerWaalsContact C-N 3.32Å; D537-L539 PolarHBondContact O-N 3.02Å; D537-N540 WeakPolarHBondContact O-CB 3.43Å; D537-N540 PolarHBondContact O-N 2.97Å; D537-E541 PolarHBondContact O-N 3.22Å
538	Q	90.2	Very high	90.8	Very high	89 Å²	89	73.6 Å²	73.6	42%	0.416	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-36	171.3	-71.6	176.7	15	0	0	112.7	L516 Q534 I535 E541 L542	L516-Q538 HydrophobicContact CD1-CB 3.73Å; Q534-Q538 WeakPolarHBondContact O-CG 3.2Å; Q534-Q538 PolarHBondContact O-N 2.98Å; I535-Q538 PolarHBondContact O-N 2.85Å; Q538-E541 PolarHBondContact O-N 2.84Å; Q538-L542 WeakPolarHBondContact O-CG 3.46Å; Q538-L542 PolarHBondContact O-N 3.38Å
539	L	91.9	Very high	90.4	Very high	7 Å²	7	73.5 Å²	73.5	4%	0.037	36%	0.364	C	S	.	.	H	α-helix	trans	-65.4	-45.9	175.2	-169	164.8	0	0	0	110	L516 L517 I535 Q536 D537 E541 L542 E543	L516-L539 HydrophobicContact CD1-CB 4.3Å; L517-L539 HydrophobicContact CD2-CD1 3.63Å; L517-L539 HydrophobicContact CG-CD1 3.82Å; I535-L539 VanDerWaalsContact O-CB 3.3Å; I535-L539 WeakPolarHBondContact O-CB 3.35Å; I535-L539 PolarHBondContact O-N 3.13Å; Q536-L539 WeakPolarHBondContact O-CB 3.4Å; Q536-L539 PolarHBondContact O-N 3.35Å; D537-L539 VanDerWaalsContact C-N 3.32Å; D537-L539 PolarHBondContact O-N 3.02Å; L539-E541 PolarHBondContact O-N 3.49Å; L539-L542 PolarHBondContact O-N 3.19Å; L539-E543 VanDerWaalsContact CD2-CD 3.45Å; L539-E543 HydrophobicContact CD2-CG 4Å; L539-E543 WeakPolarHBondContact CD2-OE1 3.28Å; L539-E543 WeakPolarHBondContact O-CG 3.46Å; L539-E543 PolarHBondContact O-N 2.92Å
540	N	92.9	Very high	89.9	Confident	70 Å²	70	72.7 Å²	72.7	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-46	174.6	-59.9	-18.2	0	0	0	111.2	Q536 D537 L542 E543 E544	Q536-N540 PolarHBondContact NE2-OD1 3.47Å; Q536-N540 PolarHBondContact O-N 3.2Å; Q536-N540 PolarHBondContact O-ND2 3.26Å; Q536-N540 PolarHBondContact O-OD1 2.79Å; D537-N540 WeakPolarHBondContact O-CB 3.43Å; D537-N540 PolarHBondContact O-N 2.97Å; N540-L542 VanDerWaalsContact C-N 3.3Å; N540-L542 PolarHBondContact O-N 3.02Å; N540-E543 PolarHBondContact O-N 2.82Å; N540-E544 WeakPolarHBondContact O-CB 3.38Å; N540-E544 PolarHBondContact O-N 2.89Å
541	E	90.7	Very high	89.5	Confident	96 Å²	96	75.4 Å²	75.4	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-31.2	178.3	-158.2	-148.2	145.5	0	0	112.8	D537 Q538 L539 R545	D537-E541 PolarHBondContact O-N 3.22Å; Q538-E541 PolarHBondContact O-N 2.84Å; L539-E541 PolarHBondContact O-N 3.49Å; E541-R545 WeakPolarHBondContact O-CB 3.38Å; E541-R545 PolarHBondContact O-N 3.33Å; E541-R545 VanDerWaalsContact O-N 3.09Å; E541-R545 PolarHBondContact O-NH1 3.26Å; E541-R545 IonicContact OE1-CZ 3.96Å; E541-R545 IonicContact OE1-NH1 2.6Å; E541-R545 PolarHBondContact OE1-NH1 2.82Å; E541-R545 IonicContact OE1-NH2 2.76Å; E541-R545 PolarHBondContact OE1-NH2 3.28Å
542	L	88.4	Confident	89.1	Confident	14 Å²	14	76.1 Å²	76.1	7%	0.073	37%	0.371	C	S	.	.	H	α-helix	trans	-74.4	-36.6	172.9	-73.6	-174.7	0	0	0	112.6	P506 Y509 K512 L516 Q538 L539 N540 A546	P506-L542 HydrophobicContact CG-CD2 3.75Å; Y509-L542 HydrophobicContact CD1-CD2 4.4Å; Y509-L542 HydrophobicContact CE1-CD2 4.32Å; K512-L542 HydrophobicContact CB-CD1 3.96Å; K512-L542 HydrophobicContact CD-CD1 3.64Å; K512-L542 HydrophobicContact CD-CD2 4.39Å; K512-L542 HydrophobicContact CG-CD1 3.59Å; L516-L542 HydrophobicContact CD1-CD1 3.59Å; L516-L542 HydrophobicContact CD1-CG 4.41Å; L516-L542 HydrophobicContact CG-CD1 4.43Å; Q538-L542 WeakPolarHBondContact O-CG 3.46Å; Q538-L542 PolarHBondContact O-N 3.38Å; L539-L542 PolarHBondContact O-N 3.19Å; N540-L542 VanDerWaalsContact C-N 3.3Å; N540-L542 PolarHBondContact O-N 3.02Å; L542-A546 WeakPolarHBondContact O-CB 3.21Å; L542-A546 PolarHBondContact O-N 2.93Å
543	E	89.3	Confident	88.6	Confident	69 Å²	69	85.1 Å²	85.1	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-69.6	-46.3	175.5	-72.5	-173.4	162.6	0	0	111.3	K513 L539 N540 R545 A546 E547	K513-E543 HydrophobicContact CD-CG 4.45Å; K513-E543 WeakPolarHBondContact CE-OE1 3.27Å; K513-E543 IonicContact NZ-OE1 2.77Å; K513-E543 PolarHBondContact NZ-OE1 2.95Å; L539-E543 VanDerWaalsContact CD2-CD 3.45Å; L539-E543 HydrophobicContact CD2-CG 4Å; L539-E543 WeakPolarHBondContact CD2-OE1 3.28Å; L539-E543 WeakPolarHBondContact O-CG 3.46Å; L539-E543 PolarHBondContact O-N 2.92Å; N540-E543 PolarHBondContact O-N 2.82Å; E543-R545 VanDerWaalsContact C-N 3.34Å; E543-R545 PolarHBondContact O-N 3.33Å; E543-A546 PolarHBondContact O-N 2.88Å; E543-E547 WeakPolarHBondContact O-CB 3.37Å; E543-E547 PolarHBondContact O-N 2.84Å
544	E	89.7	Confident	88	Confident	145 Å²	145	81.5 Å²	81.5	68%	0.678	39%	0.391	S	S	*	.	H	α-helix	trans	-59	-44.4	174	-172.6	-175.6	179.6	0	0	111.3	N540 E547 A548	N540-E544 WeakPolarHBondContact O-CB 3.38Å; N540-E544 PolarHBondContact O-N 2.89Å; E544-E547 PolarHBondContact O-N 3.48Å; E544-A548 VanDerWaalsContact O-CB 3.29Å; E544-A548 WeakPolarHBondContact O-CB 3.35Å; E544-A548 PolarHBondContact O-N 2.77Å
545	R	85.7	Confident	87.1	Confident	85 Å²	85	82.6 Å²	82.6	32%	0.321	39%	0.394	S	S	.	.	H	α-helix	trans	-68.9	-35.4	177.3	-174.3	179	-76.3	100.4	-10.2	112.7	Y509 E541 E543 A548 L549	Y509-R545 HydrophobicContact CE1-CB 4.33Å; Y509-R545 HydrophobicContact CE1-CG 4.15Å; Y509-R545 WeakPolarHBondContact OH-CD 3.46Å; E541-R545 WeakPolarHBondContact O-CB 3.38Å; E541-R545 PolarHBondContact O-N 3.33Å; E541-R545 VanDerWaalsContact O-N 3.09Å; E541-R545 PolarHBondContact O-NH1 3.26Å; E541-R545 IonicContact OE1-CZ 3.96Å; E541-R545 IonicContact OE1-NH1 2.6Å; E541-R545 PolarHBondContact OE1-NH1 2.82Å; E541-R545 IonicContact OE1-NH2 2.76Å; E541-R545 PolarHBondContact OE1-NH2 3.28Å; E543-R545 VanDerWaalsContact C-N 3.34Å; E543-R545 PolarHBondContact O-N 3.33Å; R545-A548 PolarHBondContact O-N 3.44Å; R545-L549 WeakPolarHBondContact O-CG 3.25Å; R545-L549 PolarHBondContact O-N 2.68Å; R545-L549 VanDerWaalsContact O-N 3.09Å
546	A	85.7	Confident	86.3	Confident	36 Å²	36	88.4 Å²	88.4	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-66.2	-45.6	174.2	0	0	0	0	0	111	Y509 L542 E543 L549 D550	Y509-A546 HydrophobicContact CD1-CB 3.85Å; Y509-A546 HydrophobicContact CE1-CB 4.36Å; Y509-A546 HydrophobicContact CG-CB 4.19Å; L542-A546 WeakPolarHBondContact O-CB 3.21Å; L542-A546 PolarHBondContact O-N 2.93Å; E543-A546 PolarHBondContact O-N 2.88Å; A546-L549 PolarHBondContact O-N 2.84Å; A546-D550 PolarHBondContact O-N 3.26Å
547	E	86.8	Confident	85.3	Confident	99 Å²	99	90.7 Å²	90.7	46%	0.463	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-42.2	172.7	-81.9	-159.9	-151.3	0	0	112.2	E543 E544 L549 D550 R551	E543-E547 WeakPolarHBondContact O-CB 3.37Å; E543-E547 PolarHBondContact O-N 2.84Å; E544-E547 PolarHBondContact O-N 3.48Å; E547-L549 VanDerWaalsContact C-N 3.31Å; E547-L549 PolarHBondContact O-N 2.89Å; E547-D550 PolarHBondContact O-N 2.89Å; E547-R551 WeakPolarHBondContact O-CB 3.44Å; E547-R551 WeakPolarHBondContact O-CD 3.4Å; E547-R551 WeakPolarHBondContact O-CG 3.3Å; E547-R551 PolarHBondContact O-N 3.03Å; E547-R551 IonicContact OE2-CZ 3.57Å; E547-R551 VanDerWaalsContact OE2-CZ 3.29Å; E547-R551 IonicContact OE2-NE 2.75Å; E547-R551 PolarHBondContact OE2-NE 2.9Å; E547-R551 VanDerWaalsContact OE2-NE 3.1Å; E547-R551 IonicContact OE2-NH2 3.52Å; E547-R551 PolarHBondContact OE2-NH2 2.63Å
548	A	85.7	Confident	84.2	Confident	54 Å²	54	88.4 Å²	88.4	45%	0.446	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-40.2	178	0	0	0	0	0	111.6	E544 R545 Q552	E544-A548 VanDerWaalsContact O-CB 3.29Å; E544-A548 WeakPolarHBondContact O-CB 3.35Å; E544-A548 PolarHBondContact O-N 2.77Å; R545-A548 PolarHBondContact O-N 3.44Å; A548-Q552 VanDerWaalsContact O-CB 3.29Å; A548-Q552 WeakPolarHBondContact O-CB 3.39Å; A548-Q552 PolarHBondContact O-N 2.72Å
549	L	82.7	Confident	83.4	Confident	60 Å²	60	87.1 Å²	87.1	31%	0.314	43%	0.434	S	S	.	.	H	α-helix	trans	-71	-37.8	174.2	-73.3	176.2	0	0	0	112.9	Y509 R545 A546 E547 Q552 R553	Y509-L549 HydrophobicContact CE2-CD1 3.82Å; Y509-L549 VanDerWaalsContact OH-CD1 3.26Å; Y509-L549 WeakPolarHBondContact OH-CD1 3.46Å; R545-L549 WeakPolarHBondContact O-CG 3.25Å; R545-L549 PolarHBondContact O-N 2.68Å; R545-L549 VanDerWaalsContact O-N 3.09Å; A546-L549 PolarHBondContact O-N 2.84Å; E547-L549 VanDerWaalsContact C-N 3.31Å; E547-L549 PolarHBondContact O-N 2.89Å; L549-Q552 PolarHBondContact O-N 3.4Å; L549-R553 VanDerWaalsContact O-CG 3.3Å; L549-R553 WeakPolarHBondContact O-CG 3.45Å; L549-R553 PolarHBondContact O-N 2.97Å
550	D	81.9	Confident	82.6	Confident	89 Å²	89	91.3 Å²	91.3	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-69.1	-46.6	176	-167.5	70.5	0	0	0	111.2	A546 E547 Q552 R553 T554	A546-D550 PolarHBondContact O-N 3.26Å; E547-D550 PolarHBondContact O-N 2.89Å; D550-Q552 PolarHBondContact O-N 3.35Å; D550-R553 PolarHBondContact O-N 2.74Å; D550-R553 VanDerWaalsContact O-N 3.13Å; D550-T554 WeakPolarHBondContact O-CB 3.11Å; D550-T554 WeakPolarHBondContact O-CG2 3.35Å; D550-T554 PolarHBondContact O-N 2.89Å; D550-T554 PolarHBondContact O-OG1 2.73Å
551	R	83.8	Confident	81.9	Confident	158 Å²	158	91.2 Å²	91.2	60%	0.596	46%	0.461	S	S	*	.	H	α-helix	trans	-53.6	-37.3	168.5	-69.1	163.5	-173.3	-108.3	8.5	111.2	E547 T554 K555	E547-R551 WeakPolarHBondContact O-CB 3.44Å; E547-R551 WeakPolarHBondContact O-CD 3.4Å; E547-R551 WeakPolarHBondContact O-CG 3.3Å; E547-R551 PolarHBondContact O-N 3.03Å; E547-R551 IonicContact OE2-CZ 3.57Å; E547-R551 VanDerWaalsContact OE2-CZ 3.29Å; E547-R551 IonicContact OE2-NE 2.75Å; E547-R551 PolarHBondContact OE2-NE 2.9Å; E547-R551 VanDerWaalsContact OE2-NE 3.1Å; E547-R551 IonicContact OE2-NH2 3.52Å; E547-R551 PolarHBondContact OE2-NH2 2.63Å; R551-T554 WeakPolarHBondContact CA-OG1 3.44Å; R551-T554 PolarHBondContact O-OG1 3.43Å; R551-K555 WeakPolarHBondContact O-CG 3.23Å; R551-K555 PolarHBondContact O-N 3.27Å; R551-K555 VanDerWaalsContact O-N 3.13Å
552	Q	82.4	Confident	81.4	Confident	120 Å²	120	93.6 Å²	93.6	56%	0.561	47%	0.467	S	S	*	.	H	α-helix	trans	-69.4	-45.5	175.4	-177.6	171.4	-1.9	0	0	113	A548 L549 D550 T554	A548-Q552 VanDerWaalsContact O-CB 3.29Å; A548-Q552 WeakPolarHBondContact O-CB 3.39Å; A548-Q552 PolarHBondContact O-N 2.72Å; L549-Q552 PolarHBondContact O-N 3.4Å; D550-Q552 PolarHBondContact O-N 3.35Å; Q552-T554 VanDerWaalsContact C-N 3.33Å
553	R	82.3	Confident	81	Confident	194 Å²	194	97.2 Å²	97.2	73%	0.732	49%	0.485	S	S	*	.	H	α-helix	trans	-64.7	-39.1	176	-72.1	165.9	174.3	-175.1	-3.3	111.8	L549 D550	L549-R553 VanDerWaalsContact O-CG 3.3Å; L549-R553 WeakPolarHBondContact O-CG 3.45Å; L549-R553 PolarHBondContact O-N 2.97Å; D550-R553 PolarHBondContact O-N 2.74Å; D550-R553 VanDerWaalsContact O-N 3.13Å
554	T	81.2	Confident	80.7	Confident	35 Å²	35	98.7 Å²	98.7	22%	0.215	50%	0.495	C	S	.	.	H	α-helix	trans	-82.7	-9	-177.5	56.9	0	0	0	0	113.7	D550 R551 Q552 N556 I557 S558	D550-T554 WeakPolarHBondContact O-CB 3.11Å; D550-T554 WeakPolarHBondContact O-CG2 3.35Å; D550-T554 PolarHBondContact O-N 2.89Å; D550-T554 PolarHBondContact O-OG1 2.73Å; R551-T554 WeakPolarHBondContact CA-OG1 3.44Å; R551-T554 PolarHBondContact O-OG1 3.43Å; Q552-T554 VanDerWaalsContact C-N 3.33Å; T554-N556 PolarHBondContact O-N 3.01Å; T554-I557 CarbonylContact O-C 3.54Å; T554-I557 WeakPolarHBondContact O-CA 3.42Å; T554-I557 PolarHBondContact O-N 3Å; T554-S558 PolarHBondContact O-N 3.4Å; T554-S558 PolarHBondContact O-OG 3.03Å; T554-S558 PolarHBondContact OG1-OG 3.49Å
555	K	77.9	Confident	80.4	Confident	139 Å²	139	96.6 Å²	96.6	60%	0.604	49%	0.485	S	S	*	.	H	α-helix	trans	-43.1	-45	-177.9	-69.3	-173.6	177.3	169.4	0	114.4	R551	R551-K555 WeakPolarHBondContact O-CG 3.23Å; R551-K555 PolarHBondContact O-N 3.27Å; R551-K555 VanDerWaalsContact O-N 3.13Å
556	N	74.4	Confident	80.6	Confident	144 Å²	144	100 Å²	100	77%	0.77	50%	0.498	S	S	*	.	H	α-helix	trans	-76.2	-25.4	-179.5	-61.9	-11.1	0	0	0	113.1	T554	T554-N556 PolarHBondContact O-N 3.01Å
557	I	74.3	Confident	80.5	Confident	101 Å²	101	102.3 Å²	102.3	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-90.7	-30.3	-179.3	-56.6	172.9	0	0	0	111.1	T554 A559 I560 S561	T554-I557 CarbonylContact O-C 3.54Å; T554-I557 WeakPolarHBondContact O-CA 3.42Å; T554-I557 PolarHBondContact O-N 3Å; I557-A559 VanDerWaalsContact C-N 3.27Å; I557-A559 PolarHBondContact O-N 2.9Å; I557-I560 CarbonylContact O-C 3.58Å; I557-I560 WeakPolarHBondContact O-CA 3.29Å; I557-I560 WeakPolarHBondContact O-CB 3.36Å; I557-I560 PolarHBondContact O-N 2.95Å; I557-S561 PolarHBondContact O-N 2.77Å
558	S	70.1	Confident	80.4	Confident	53 Å²	53	106.4 Å²	106.4	37%	0.371	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-32.2	-175.7	-62.6	0	0	0	0	112.9	T554 S561 Y562	T554-S558 PolarHBondContact O-N 3.4Å; T554-S558 PolarHBondContact O-OG 3.03Å; T554-S558 PolarHBondContact OG1-OG 3.49Å; S558-S561 PolarHBondContact O-N 2.95Å; S558-Y562 VanDerWaalsContact O-CB 3.28Å; S558-Y562 WeakPolarHBondContact O-CB 3.45Å; S558-Y562 PolarHBondContact O-N 2.98Å
559	A	74	Confident	80.7	Confident	61 Å²	61	108.2 Å²	108.2	50%	0.504	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-43.4	171.1	0	0	0	0	0	111.8	I557 I563	I557-A559 VanDerWaalsContact C-N 3.27Å; I557-A559 PolarHBondContact O-N 2.9Å; A559-I563 WeakPolarHBondContact O-CD1 3.23Å; A559-I563 VanDerWaalsContact O-CG1 3.24Å; A559-I563 WeakPolarHBondContact O-CG1 3.32Å; A559-I563 PolarHBondContact O-N 2.87Å
560	I	75.9	Confident	80.9	Confident	96 Å²	96	113.1 Å²	113.1	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-70.8	-39.2	177.7	-59.9	163.6	0	0	0	110.3	I557 I563 N564	I557-I560 CarbonylContact O-C 3.58Å; I557-I560 WeakPolarHBondContact O-CA 3.29Å; I557-I560 WeakPolarHBondContact O-CB 3.36Å; I557-I560 PolarHBondContact O-N 2.95Å; I560-I563 PolarHBondContact O-N 3.11Å; I560-N564 WeakPolarHBondContact O-CB 3.19Å; I560-N564 PolarHBondContact O-N 2.86Å; I560-N564 PolarHBondContact O-ND2 2.94Å
561	S	77.6	Confident	81	Confident	67 Å²	67	113.6 Å²	113.6	47%	0.469	53%	0.533	S	S	.	.	H	α-helix	trans	-61.6	-46.3	174.8	-164.9	0	0	0	0	111.5	I557 S558 I563 N564 Q565	I557-S561 PolarHBondContact O-N 2.77Å; S558-S561 PolarHBondContact O-N 2.95Å; S561-I563 PolarHBondContact O-N 3.08Å; S561-N564 PolarHBondContact O-N 3.44Å; S561-Q565 WeakPolarHBondContact O-CB 3.34Å; S561-Q565 PolarHBondContact O-N 3.11Å
562	Y	80.4	Confident	81.2	Confident	147 Å²	147	110.2 Å²	110.2	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-39.8	176.3	-178.2	-105.4	0	0	0	112.5	S558 R566	S558-Y562 VanDerWaalsContact O-CB 3.28Å; S558-Y562 WeakPolarHBondContact O-CB 3.45Å; S558-Y562 PolarHBondContact O-N 2.98Å; Y562-R566 VanDerWaalsContact O-CB 3.23Å; Y562-R566 WeakPolarHBondContact O-CB 3.49Å; Y562-R566 PolarHBondContact O-N 3.46Å
563	I	79.8	Confident	81.5	Confident	90 Å²	90	108.4 Å²	108.4	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-62.5	-46.2	172.4	-70.1	163.3	0	0	0	110.6	A559 I560 S561 R566 N567	A559-I563 WeakPolarHBondContact O-CD1 3.23Å; A559-I563 VanDerWaalsContact O-CG1 3.24Å; A559-I563 WeakPolarHBondContact O-CG1 3.32Å; A559-I563 PolarHBondContact O-N 2.87Å; I560-I563 PolarHBondContact O-N 3.11Å; S561-I563 PolarHBondContact O-N 3.08Å; I563-R566 PolarHBondContact O-N 3.34Å; I563-N567 VanDerWaalsContact O-CB 3.3Å; I563-N567 WeakPolarHBondContact O-CB 3.44Å; I563-N567 PolarHBondContact O-N 2.92Å; I563-N567 PolarHBondContact O-ND2 3.37Å; I563-N567 PolarHBondContact O-OD1 2.85Å
564	N	81.7	Confident	81.6	Confident	99 Å²	99	102.6 Å²	102.6	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-66.7	-38.3	179.7	-72.5	-17.6	0	0	0	112.6	I560 S561 R568	I560-N564 WeakPolarHBondContact O-CB 3.19Å; I560-N564 PolarHBondContact O-N 2.86Å; I560-N564 PolarHBondContact O-ND2 2.94Å; S561-N564 PolarHBondContact O-N 3.44Å; N564-R568 WeakPolarHBondContact O-CB 3.43Å; N564-R568 PolarHBondContact O-N 3.3Å
565	Q	85.1	Confident	81.7	Confident	102 Å²	102	103.9 Å²	103.9	48%	0.477	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-51.7	173	175.7	171.3	-7.1	0	0	110.6	S561 N567 R568 E569	S561-Q565 WeakPolarHBondContact O-CB 3.34Å; S561-Q565 PolarHBondContact O-N 3.11Å; Q565-N567 VanDerWaalsContact C-N 3.31Å; Q565-N567 PolarHBondContact O-N 3.22Å; Q565-R568 CarbonylContact O-C 3.58Å; Q565-R568 WeakPolarHBondContact O-CA 3.35Å; Q565-R568 WeakPolarHBondContact O-CB 3.38Å; Q565-R568 PolarHBondContact O-N 2.88Å; Q565-E569 HydrophobicContact CG-CG 4.38Å; Q565-E569 WeakPolarHBondContact CG-OE1 3.27Å; Q565-E569 PolarHBondContact NE2-OE1 3.06Å; Q565-E569 WeakPolarHBondContact O-CG 3.26Å; Q565-E569 PolarHBondContact O-N 2.89Å
566	R	88.1	Confident	82	Confident	156 Å²	156	102.1 Å²	102.1	59%	0.589	51%	0.508	S	S	*	.	H	α-helix	trans	-59.7	-39.7	178	-176.6	176.4	178.3	171.1	0.8	112.4	Y562 I563 R568 E569 W570	Y562-R566 VanDerWaalsContact O-CB 3.23Å; Y562-R566 WeakPolarHBondContact O-CB 3.49Å; Y562-R566 PolarHBondContact O-N 3.46Å; I563-R566 PolarHBondContact O-N 3.34Å; R566-R568 VanDerWaalsContact C-N 3.34Å; R566-E569 PolarHBondContact O-N 3.44Å; R566-W570 VanDerWaalsContact O-CB 3.26Å; R566-W570 WeakPolarHBondContact O-CB 3.21Å; R566-W570 PolarHBondContact O-N 3.22Å
567	N	84.5	Confident	82.6	Confident	84 Å²	84	100.8 Å²	100.8	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-66.1	-36.9	174.8	-70.4	-9.9	0	0	0	111.6	I563 Q565 N571	I563-N567 VanDerWaalsContact O-CB 3.3Å; I563-N567 WeakPolarHBondContact O-CB 3.44Å; I563-N567 PolarHBondContact O-N 2.92Å; I563-N567 PolarHBondContact O-ND2 3.37Å; I563-N567 PolarHBondContact O-OD1 2.85Å; Q565-N567 VanDerWaalsContact C-N 3.31Å; Q565-N567 PolarHBondContact O-N 3.22Å; N567-N571 VanDerWaalsContact O-CB 3.29Å; N567-N571 WeakPolarHBondContact O-CB 3.25Å; N567-N571 PolarHBondContact O-N 3.26Å; N567-N571 PolarHBondContact O-ND2 3.29Å
568	R	85.5	Confident	83	Confident	186 Å²	186	98.2 Å²	98.2	70%	0.702	49%	0.49	S	S	*	.	H	α-helix	trans	-68.2	-44.4	175.3	-171.9	179.4	-174.3	177.1	1.9	111.8	N564 Q565 R566 N571 I572	N564-R568 WeakPolarHBondContact O-CB 3.43Å; N564-R568 PolarHBondContact O-N 3.3Å; Q565-R568 CarbonylContact O-C 3.58Å; Q565-R568 WeakPolarHBondContact O-CA 3.35Å; Q565-R568 WeakPolarHBondContact O-CB 3.38Å; Q565-R568 PolarHBondContact O-N 2.88Å; R566-R568 VanDerWaalsContact C-N 3.34Å; R568-N571 PolarHBondContact O-N 3.35Å; R568-I572 HydrophobicContact CG-CD1 4.12Å; R568-I572 WeakPolarHBondContact O-CD1 3.33Å; R568-I572 VanDerWaalsContact O-CG1 3.23Å; R568-I572 WeakPolarHBondContact O-CG1 3.15Å; R568-I572 PolarHBondContact O-N 3.3Å
569	E	90.2	Very high	83.3	Confident	92 Å²	92	101 Å²	101	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-45.3	175.8	-72	164.5	178.2	0	0	111.2	Q565 R566 I572 V573	Q565-E569 HydrophobicContact CG-CG 4.38Å; Q565-E569 WeakPolarHBondContact CG-OE1 3.27Å; Q565-E569 PolarHBondContact NE2-OE1 3.06Å; Q565-E569 WeakPolarHBondContact O-CG 3.26Å; Q565-E569 PolarHBondContact O-N 2.89Å; R566-E569 PolarHBondContact O-N 3.44Å; E569-I572 WeakPolarHBondContact O-CB 3.39Å; E569-I572 PolarHBondContact O-N 3.03Å; E569-V573 WeakPolarHBondContact O-CG2 3.49Å; E569-V573 PolarHBondContact O-N 3.16Å
570	W	87.6	Confident	83.6	Confident	162 Å²	162	102.4 Å²	102.4	61%	0.614	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-42.6	176.1	-169.4	78.1	0	0	0	112.3	R566 I572 V573 E574	R566-W570 VanDerWaalsContact O-CB 3.26Å; R566-W570 WeakPolarHBondContact O-CB 3.21Å; R566-W570 PolarHBondContact O-N 3.22Å; W570-I572 VanDerWaalsContact C-N 3.32Å; W570-I572 PolarHBondContact O-N 2.97Å; W570-V573 PolarHBondContact O-N 3.22Å; W570-E574 WeakPolarHBondContact O-CB 3.28Å; W570-E574 PolarHBondContact O-N 3.27Å
571	N	85.1	Confident	83.9	Confident	99 Å²	99	100.3 Å²	100.3	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-37.1	173.2	-74.1	-17.6	0	0	0	112.4	N567 R568 S575	N567-N571 VanDerWaalsContact O-CB 3.29Å; N567-N571 WeakPolarHBondContact O-CB 3.25Å; N567-N571 PolarHBondContact O-N 3.26Å; N567-N571 PolarHBondContact O-ND2 3.29Å; R568-N571 PolarHBondContact O-N 3.35Å; N571-S575 WeakPolarHBondContact O-CB 3.34Å; N571-S575 PolarHBondContact O-N 3.31Å; N571-S575 PolarHBondContact O-OG 2.98Å
572	I	87.3	Confident	83.9	Confident	87 Å²	87	103.2 Å²	103.2	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-65.1	-53.8	175.4	-72.5	162.2	0	0	0	109.9	R568 E569 W570 E574 S575 E576	R568-I572 HydrophobicContact CG-CD1 4.12Å; R568-I572 WeakPolarHBondContact O-CD1 3.33Å; R568-I572 VanDerWaalsContact O-CG1 3.23Å; R568-I572 WeakPolarHBondContact O-CG1 3.15Å; R568-I572 PolarHBondContact O-N 3.3Å; E569-I572 WeakPolarHBondContact O-CB 3.39Å; E569-I572 PolarHBondContact O-N 3.03Å; W570-I572 VanDerWaalsContact C-N 3.32Å; W570-I572 PolarHBondContact O-N 2.97Å; I572-E574 PolarHBondContact O-N 2.86Å; I572-S575 PolarHBondContact O-N 3.28Å; I572-S575 VanDerWaalsContact O-N 3.12Å; I572-S575 PolarHBondContact O-OG 2.94Å; I572-E576 PolarHBondContact O-N 3.05Å
573	V	88.7	Confident	83.6	Confident	83 Å²	83	99 Å²	99	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-42.8	-177.4	171.7	0	0	0	0	111.9	E569 W570 S575 E576 K577	E569-V573 WeakPolarHBondContact O-CG2 3.49Å; E569-V573 PolarHBondContact O-N 3.16Å; W570-V573 PolarHBondContact O-N 3.22Å; V573-S575 VanDerWaalsContact C-N 3.34Å; V573-S575 PolarHBondContact O-N 2.74Å; V573-E576 PolarHBondContact O-N 3.43Å; V573-K577 WeakPolarHBondContact O-CB 3.24Å; V573-K577 PolarHBondContact O-N 3.1Å
574	E	85.1	Confident	83.4	Confident	71 Å²	71	99.4 Å²	99.4	33%	0.332	50%	0.496	S	S	.	.	H	α-helix	trans	-70.6	-31.2	177.6	-162.1	60.9	-142.4	0	0	111.5	W570 I572 K577 A578	W570-E574 WeakPolarHBondContact O-CB 3.28Å; W570-E574 PolarHBondContact O-N 3.27Å; I572-E574 PolarHBondContact O-N 2.86Å; E574-K577 IonicContact OE1-NZ 2.59Å; E574-K577 PolarHBondContact OE1-NZ 3.01Å; E574-K577 IonicContact OE2-NZ 2.74Å; E574-K577 PolarHBondContact OE2-NZ 3.01Å; E574-A578 VanDerWaalsContact O-CB 3.3Å; E574-A578 WeakPolarHBondContact O-CB 3.46Å; E574-A578 PolarHBondContact O-N 3.24Å
575	S	81.7	Confident	83	Confident	62 Å²	62	100 Å²	100	43%	0.434	50%	0.5	S	S	.	.	H	α-helix	trans	-68.7	-37.7	172.1	78.7	0	0	0	0	113	N571 I572 V573 A578 L579	N571-S575 WeakPolarHBondContact O-CB 3.34Å; N571-S575 PolarHBondContact O-N 3.31Å; N571-S575 PolarHBondContact O-OG 2.98Å; I572-S575 PolarHBondContact O-N 3.28Å; I572-S575 VanDerWaalsContact O-N 3.12Å; I572-S575 PolarHBondContact O-OG 2.94Å; V573-S575 VanDerWaalsContact C-N 3.34Å; V573-S575 PolarHBondContact O-N 2.74Å; S575-A578 PolarHBondContact O-N 3.24Å; S575-L579 VanDerWaalsContact O-CG 3.32Å; S575-L579 WeakPolarHBondContact O-CG 3.14Å; S575-L579 PolarHBondContact O-N 3.02Å
576	E	84.6	Confident	82.1	Confident	103 Å²	103	101.4 Å²	101.4	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-68.3	-46.5	175.7	178.5	169.7	-151.5	0	0	110.8	I572 V573 A578 L579 V580	I572-E576 PolarHBondContact O-N 3.05Å; V573-E576 PolarHBondContact O-N 3.43Å; E576-A578 VanDerWaalsContact C-N 3.3Å; E576-A578 PolarHBondContact O-N 3.39Å; E576-L579 PolarHBondContact O-N 3.47Å; E576-L579 VanDerWaalsContact O-N 3.13Å; E576-V580 WeakPolarHBondContact O-CG2 3.31Å; E576-V580 PolarHBondContact O-N 2.84Å
577	K	88.3	Confident	81.1	Confident	116 Å²	116	100.6 Å²	100.6	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-58.3	-39.9	173.7	177.5	170.8	160.3	-112.4	0	112.2	V573 E574 V580 A581	V573-K577 WeakPolarHBondContact O-CB 3.24Å; V573-K577 PolarHBondContact O-N 3.1Å; E574-K577 IonicContact OE1-NZ 2.59Å; E574-K577 PolarHBondContact OE1-NZ 3.01Å; E574-K577 IonicContact OE2-NZ 2.74Å; E574-K577 PolarHBondContact OE2-NZ 3.01Å; K577-V580 PolarHBondContact O-N 3.15Å; K577-A581 WeakPolarHBondContact O-CB 3.25Å; K577-A581 PolarHBondContact O-N 2.91Å
578	A	82	Confident	80.1	Confident	47 Å²	47	102 Å²	102	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-46	172.5	0	0	0	0	0	112.2	E574 S575 E576 V580 A581 E582	E574-A578 VanDerWaalsContact O-CB 3.3Å; E574-A578 WeakPolarHBondContact O-CB 3.46Å; E574-A578 PolarHBondContact O-N 3.24Å; S575-A578 PolarHBondContact O-N 3.24Å; E576-A578 VanDerWaalsContact C-N 3.3Å; E576-A578 PolarHBondContact O-N 3.39Å; A578-V580 VanDerWaalsContact C-N 3.33Å; A578-V580 PolarHBondContact O-N 3.03Å; A578-A581 PolarHBondContact O-N 3.21Å; A578-E582 PolarHBondContact O-N 3.17Å
579	L	76.3	Confident	79.2	Confident	111 Å²	111	99 Å²	99	58%	0.581	51%	0.51	S	S	*	.	H	α-helix	trans	-63.3	-36.4	176.2	-72.5	167.6	0	0	0	112.7	S575 E576 S583	S575-L579 VanDerWaalsContact O-CG 3.32Å; S575-L579 WeakPolarHBondContact O-CG 3.14Å; S575-L579 PolarHBondContact O-N 3.02Å; E576-L579 PolarHBondContact O-N 3.47Å; E576-L579 VanDerWaalsContact O-N 3.13Å; L579-S583 WeakPolarHBondContact O-CB 3.28Å; L579-S583 PolarHBondContact O-N 3.39Å
580	V	81.2	Confident	77.9	Confident	91 Å²	91	103.3 Å²	103.3	55%	0.552	53%	0.53	S	S	*	.	H	α-helix	trans	-66.8	-41.2	173.4	171.6	0	0	0	0	110.9	E576 K577 A578 S583 H584	E576-V580 WeakPolarHBondContact O-CG2 3.31Å; E576-V580 PolarHBondContact O-N 2.84Å; K577-V580 PolarHBondContact O-N 3.15Å; A578-V580 VanDerWaalsContact C-N 3.33Å; A578-V580 PolarHBondContact O-N 3.03Å; V580-S583 WeakPolarHBondContact O-CB 3.43Å; V580-S583 PolarHBondContact O-N 3.47Å; V580-H584 PolarHBondContact O-N 2.85Å
581	A	80.6	Confident	76.7	Confident	51 Å²	51	101.6 Å²	101.6	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-65.8	-44.4	175.7	0	0	0	0	0	112.5	K577 A578 S583 H584 N585	K577-A581 WeakPolarHBondContact O-CB 3.25Å; K577-A581 PolarHBondContact O-N 2.91Å; A578-A581 PolarHBondContact O-N 3.21Å; A581-S583 VanDerWaalsContact C-N 3.34Å; A581-S583 PolarHBondContact O-N 3.47Å; A581-H584 PolarHBondContact O-N 3.44Å; A581-H584 VanDerWaalsContact O-N 3.15Å; A581-N585 PolarHBondContact O-N 3.09Å
582	E	78.4	Confident	76.3	Confident	128 Å²	128	100.8 Å²	100.8	60%	0.598	53%	0.526	S	S	*	.	H	α-helix	trans	-59.3	-45	172.1	-74.1	-171.9	170.3	0	0	111.3	A578 H584 N585 M586	A578-E582 PolarHBondContact O-N 3.17Å; E582-H584 VanDerWaalsContact C-N 3.26Å; E582-H584 PolarHBondContact O-N 3.06Å; E582-N585 PolarHBondContact O-N 2.7Å; E582-M586 WeakPolarHBondContact O-CB 3.36Å; E582-M586 WeakPolarHBondContact O-CG 3.47Å; E582-M586 PolarHBondContact O-N 2.86Å
583	S	74.8	Confident	75.8	Confident	58 Å²	58	102 Å²	102	41%	0.406	54%	0.54	S	S	.	.	H	α-helix	trans	-60.4	-33.1	175	-177	0	0	0	0	112.6	L579 V580 A581 K587	L579-S583 WeakPolarHBondContact O-CB 3.28Å; L579-S583 PolarHBondContact O-N 3.39Å; V580-S583 WeakPolarHBondContact O-CB 3.43Å; V580-S583 PolarHBondContact O-N 3.47Å; A581-S583 VanDerWaalsContact C-N 3.34Å; A581-S583 PolarHBondContact O-N 3.47Å; S583-K587 WeakPolarHBondContact O-CD 3.34Å; S583-K587 WeakPolarHBondContact O-CE 3.41Å; S583-K587 VanDerWaalsContact O-CG 3.27Å; S583-K587 WeakPolarHBondContact O-CG 3.48Å; S583-K587 PolarHBondContact O-N 3.48Å
584	H	75.8	Confident	75	Confident	99 Å²	99	107 Å²	107	46%	0.458	56%	0.555	S	S	.	*	H	α-helix	trans	-78.9	-38.6	176.6	-145.2	-42.2	0	0	0	112.9	V580 A581 E582 K587 N588	V580-H584 PolarHBondContact O-N 2.85Å; A581-H584 PolarHBondContact O-N 3.44Å; A581-H584 VanDerWaalsContact O-N 3.15Å; E582-H584 VanDerWaalsContact C-N 3.26Å; E582-H584 PolarHBondContact O-N 3.06Å; H584-K587 PolarHBondContact O-N 3.37Å; H584-N588 PolarHBondContact O-N 2.82Å; H584-N588 VanDerWaalsContact O-N 3.12Å
585	N	72.7	Confident	74.6	Confident	112 Å²	112	107 Å²	107	60%	0.599	56%	0.56	S	S	*	*	H	α-helix	trans	-64.9	-40.4	173.7	-77.6	-4	0	0	0	111.5	A581 E582 K587 N588 Q589	A581-N585 PolarHBondContact O-N 3.09Å; E582-N585 PolarHBondContact O-N 2.7Å; N585-K587 PolarHBondContact O-N 3.11Å; N585-N588 PolarHBondContact O-N 3.34Å; N585-N588 VanDerWaalsContact O-N 3.12Å; N585-Q589 WeakPolarHBondContact O-CB 3.31Å; N585-Q589 PolarHBondContact O-N 2.87Å
586	M	66.7	Low	74.3	Confident	132 Å²	132	116.1 Å²	116.1	65%	0.65	59%	0.585	S	S	*	*	H	α-helix	trans	-65.9	-15.6	175.1	-72.1	-74.4	-79.7	0	0	114.1	E582	E582-M586 WeakPolarHBondContact O-CB 3.36Å; E582-M586 WeakPolarHBondContact O-CG 3.47Å; E582-M586 PolarHBondContact O-N 2.86Å
587	K	66	Low	73.6	Confident	138 Å²	138	117.8 Å²	117.8	60%	0.6	59%	0.587	S	S	*	*	H	α-helix	trans	-87.8	-36.4	169.9	-67.6	162.7	-165.2	167	0	112.3	S583 H584 N585	S583-K587 WeakPolarHBondContact O-CD 3.34Å; S583-K587 WeakPolarHBondContact O-CE 3.41Å; S583-K587 VanDerWaalsContact O-CG 3.27Å; S583-K587 WeakPolarHBondContact O-CG 3.48Å; S583-K587 PolarHBondContact O-N 3.48Å; H584-K587 PolarHBondContact O-N 3.37Å; N585-K587 PolarHBondContact O-N 3.11Å
588	N	64.4	Low	73.1	Confident	113 Å²	113	121.3 Å²	121.3	60%	0.604	61%	0.605	S	S	*	*	H	α-helix	trans	-86	-17.7	-176.6	-69.6	7	0	0	0	113.5	H584 N585 Q590	H584-N588 PolarHBondContact O-N 2.82Å; H584-N588 VanDerWaalsContact O-N 3.12Å; N585-N588 PolarHBondContact O-N 3.34Å; N585-N588 VanDerWaalsContact O-N 3.12Å; N588-Q590 PolarHBondContact O-N 3.26Å
589	Q	65.2	Low	72.5	Confident	123 Å²	123	124.7 Å²	124.7	58%	0.575	63%	0.625	S	S	*	*	S	Bend	trans	-64.3	115.1	176.5	-171	171.4	51.9	0	0	110.3	N585 M591	N585-Q589 WeakPolarHBondContact O-CB 3.31Å; N585-Q589 PolarHBondContact O-N 2.87Å; Q589-M591 PolarHBondContact O-N 3.01Å
590	Q	64.5	Low	72.5	Confident	184 Å²	184	128.3 Å²	128.3	86%	0.86	64%	0.636	S	S	*	*			trans	-54.6	136.2	-179.8	-75.7	-177.5	-21.1	0	0	111.2	N588 D592	N588-Q590 PolarHBondContact O-N 3.26Å; Q590-D592 PolarHBondContact O-N 3.41Å
591	M	62.2	Low	72.3	Confident	126 Å²	126	130.3 Å²	130.3	62%	0.621	65%	0.65	S	S	*	*			trans	-73.9	98.2	-174	-50.6	-68.1	-158.7	0	0	110.2	Q589 P593 R597	Q589-M591 PolarHBondContact O-N 3.01Å; M591-P593 VanDerWaalsContact O-CD 3.28Å; M591-P593 WeakPolarHBondContact O-CD 3.25Å; M591-P593 VanDerWaalsContact O-N 3.16Å; M591-R597 PolarHBondContact SD-NH1 2.86Å; M591-R597 PolarHBondContact SD-NH2 2.66Å
592	D	77	Confident	71.7	Confident	82 Å²	82	133.6 Å²	133.6	44%	0.439	67%	0.665	S	S	.	*			trans	-62.2	114.5	169.9	177.4	-11.7	0	0	0	109.4	Q590 F594 T595	Q590-D592 PolarHBondContact O-N 3.41Å; D592-F594 PolarHBondContact O-N 2.8Å; D592-F594 VanDerWaalsContact O-N 3.16Å; D592-F594 WeakPolarHBondContact OD1-CB 3.31Å; D592-F594 PolarHBondContact OD1-N 2.92Å; D592-T595 HydrophobicContact CB-CG2 3.73Å; D592-T595 PolarHBondContact O-N 2.85Å; D592-T595 VanDerWaalsContact O-N 3.12Å; D592-T595 PolarHBondContact O-OG1 3.25Å; D592-T595 WeakPolarHBondContact OD2-CG2 3.34Å
593	P	75.3	Confident	71.4	Confident	113 Å²	113	134.7 Å²	134.7	73%	0.734	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-13.9	-175.2	29.2	-35.6	0	0	0	113.6	M591	M591-P593 VanDerWaalsContact O-CD 3.28Å; M591-P593 WeakPolarHBondContact O-CD 3.25Å; M591-P593 VanDerWaalsContact O-N 3.16Å
594	F	73.2	Confident	70.7	Confident	187 Å²	187	138 Å²	138	82%	0.82	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-8.7	177.3	-57.2	-74.1	0	0	0	113.1	D592 R596	D592-F594 PolarHBondContact O-N 2.8Å; D592-F594 VanDerWaalsContact O-N 3.16Å; D592-F594 WeakPolarHBondContact OD1-CB 3.31Å; D592-F594 PolarHBondContact OD1-N 2.92Å; F594-R596 PolarHBondContact O-N 3.49Å
595	T	75.1	Confident	70	Confident	71 Å²	71	136.4 Å²	136.4	44%	0.436	69%	0.691	S	S	.	*	S	Bend	trans	-77.3	119.6	176.2	58.2	0	0	0	0	112.9	D592 R597	D592-T595 HydrophobicContact CB-CG2 3.73Å; D592-T595 PolarHBondContact O-N 2.85Å; D592-T595 VanDerWaalsContact O-N 3.12Å; D592-T595 PolarHBondContact O-OG1 3.25Å; D592-T595 WeakPolarHBondContact OD2-CG2 3.34Å; T595-R597 PolarHBondContact O-N 3.16Å
596	R	76.2	Confident	69.3	Low	254 Å²	254	136.4 Å²	136.4	96%	0.958	69%	0.691	S	S	*	*			trans	-70.3	101	175	-77.5	-173.5	171.8	-128	-0.1	111.5	F594	F594-R596 PolarHBondContact O-N 3.49Å
597	R	69.1	Low	69	Low	137 Å²	137	132.9 Å²	132.9	52%	0.517	68%	0.679	S	S	.	*			trans	-78.6	148.2	177.3	-70.2	-177	159.3	-134.1	-11.2	113.1	M591 T595 C599	M591-R597 PolarHBondContact SD-NH1 2.86Å; M591-R597 PolarHBondContact SD-NH2 2.66Å; T595-R597 PolarHBondContact O-N 3.16Å; R597-C599 PolarHBondContact O-N 3.11Å
598	Q	78.9	Confident	68.7	Low	191 Å²	191	137.1 Å²	137.1	89%	0.893	69%	0.692	S	S	*	*			trans	-76.8	79.9	175.5	-77	-76.5	-10.8	0	0	111.1	K600	Q598-K600 PolarHBondContact O-N 2.72Å
599	C	68.4	Low	68.8	Low	118 Å²	118	135.8 Å²	135.8	80%	0.797	68%	0.684	S	S	*	*			trans	-69.6	93.7	178.6	-62.2	0	0	0	0	111.8	R597	R597-C599 PolarHBondContact O-N 3.11Å
600	K	76.3	Confident	69.1	Low	186 Å²	186	134.5 Å²	134.5	81%	0.809	69%	0.687	S	S	*	*			trans	-67.8	136.1	160.3	-68.3	177.6	-178.8	173.6	0	108.6	Q598 T602	Q598-K600 PolarHBondContact O-N 2.72Å; K600-T602 PolarHBondContact O-N 3.13Å; K600-T602 VanDerWaalsContact O-N 3.15Å
601	P	77.3	Confident	69.6	Low	133 Å²	133	128.9 Å²	128.9	86%	0.864	67%	0.672	S	S	*	*			trans	-69.7	111.2	175.7	27.9	-33.1	0	0	0	110.1
602	T	68.2	Low	69.9	Low	120 Å²	120	125 Å²	125	74%	0.736	66%	0.655	S	S	*	*			trans	-88.9	138.1	167.9	-57.1	0	0	0	0	108.7	K600 V604	K600-T602 PolarHBondContact O-N 3.13Å; K600-T602 VanDerWaalsContact O-N 3.15Å; T602-V604 PolarHBondContact O-N 2.96Å; T602-V604 VanDerWaalsContact O-N 3.16Å
603	I	71.9	Confident	69.5	Low	151 Å²	151	126.1 Å²	126.1	77%	0.774	66%	0.658	S	S	*	*			trans	-68.2	113.2	170.9	-64.8	174.2	0	0	0	107.7	S605	I603-S605 VanDerWaalsContact C-N 3.26Å; I603-S605 PolarHBondContact O-N 3.37Å
604	V	60	Low	69.5	Low	129 Å²	129	123.5 Å²	123.5	78%	0.782	65%	0.646	S	S	*	*			trans	-80.5	79.5	173.7	-174.2	0	0	0	0	108.1	T602	T602-V604 PolarHBondContact O-N 2.96Å; T602-V604 VanDerWaalsContact O-N 3.16Å
605	S	61.5	Low	69.8	Low	64 Å²	64	117 Å²	117	45%	0.448	63%	0.626	S	S	.	*			trans	-82.4	138.1	160.5	54.3	0	0	0	0	108.7	I603 S607	I603-S605 VanDerWaalsContact C-N 3.26Å; I603-S605 PolarHBondContact O-N 3.37Å; S605-S607 WeakPolarHBondContact CB-OG 3.4Å; S605-S607 PolarHBondContact O-N 3.01Å; S605-S607 PolarHBondContact OG-OG 2.78Å
606	N	58.1	Low	69.7	Low	113 Å²	113	117.1 Å²	117.1	60%	0.604	62%	0.624	S	S	*	*	S	Bend	trans	-66.8	-0.5	178.2	-61	-3.1	0	0	0	113	R608 D609 V612	N606-R608 PolarHBondContact O-N 3.3Å; N606-D609 PolarHBondContact O-N 3.19Å; N606-V612 HydrophobicContact CB-CG1 3.94Å
607	S	59.8	Low	69.8	Low	57 Å²	57	110.1 Å²	110.1	40%	0.399	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	26.3	176.2	68.2	0	0	0	0	114.7	S605 Q613	S605-S607 WeakPolarHBondContact CB-OG 3.4Å; S605-S607 PolarHBondContact O-N 3.01Å; S605-S607 PolarHBondContact OG-OG 2.78Å; S607-Q613 PolarHBondContact O-NE2 3.35Å
608	R	59.2	Low	70.3	Confident	228 Å²	228	106.4 Å²	106.4	86%	0.86	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	-6.5	175.2	-162.8	171.7	179.9	107.1	3.5	113.1	N606	N606-R608 PolarHBondContact O-N 3.3Å
609	D	67.4	Low	70.3	Confident	84 Å²	84	104 Å²	104	45%	0.449	59%	0.592	S	S	.	*	S	Bend	trans	-84	120.3	162	-175.5	-30.9	0	0	0	107.7	N606 A611 V612 Q613	N606-D609 PolarHBondContact O-N 3.19Å; D609-A611 PolarHBondContact O-N 2.98Å; D609-A611 WeakPolarHBondContact OD1-CB 3.44Å; D609-A611 PolarHBondContact OD1-N 3.19Å; D609-V612 HydrophobicContact CB-CB 4.09Å; D609-V612 HydrophobicContact CB-CG2 3.88Å; D609-V612 PolarHBondContact O-N 2.89Å; D609-V612 VanDerWaalsContact O-N 3.07Å; D609-Q613 PolarHBondContact O-N 3.47Å
610	P	70.7	Confident	70.5	Confident	96 Å²	96	102.4 Å²	102.4	62%	0.623	58%	0.575	S	S	*	*	H	α-helix	trans	-63.3	-27.8	-176.9	25.9	-34.3	0	0	0	112.7	A614	P610-A614 VanDerWaalsContact O-CB 3.32Å; P610-A614 WeakPolarHBondContact O-CB 3.47Å; P610-A614 PolarHBondContact O-N 2.81Å
611	A	75.2	Confident	70.5	Confident	67 Å²	67	98.6 Å²	98.6	55%	0.554	56%	0.564	S	S	*	*	H	α-helix	trans	-68.6	-37.7	174.3	0	0	0	0	0	111.4	D609 A615	D609-A611 PolarHBondContact O-N 2.98Å; D609-A611 WeakPolarHBondContact OD1-CB 3.44Å; D609-A611 PolarHBondContact OD1-N 3.19Å; A611-A615 WeakPolarHBondContact O-CB 3.15Å; A611-A615 PolarHBondContact O-N 3.27Å
612	V	69.9	Low	70.4	Confident	44 Å²	44	96.6 Å²	96.6	27%	0.267	56%	0.559	S	S	.	*	H	α-helix	trans	-76	-36.6	177.3	-177.4	0	0	0	0	111.5	N606 D609 A615 I616	N606-V612 HydrophobicContact CB-CG1 3.94Å; D609-V612 HydrophobicContact CB-CB 4.09Å; D609-V612 HydrophobicContact CB-CG2 3.88Å; D609-V612 PolarHBondContact O-N 2.89Å; D609-V612 VanDerWaalsContact O-N 3.07Å; V612-A615 PolarHBondContact O-N 3.46Å; V612-I616 HydrophobicContact CG1-CD1 3.81Å; V612-I616 HydrophobicContact CG1-CG1 4.3Å; V612-I616 WeakPolarHBondContact O-CB 3.17Å; V612-I616 VanDerWaalsContact O-CG1 3.26Å; V612-I616 WeakPolarHBondContact O-CG1 3.34Å; V612-I616 PolarHBondContact O-N 2.85Å
613	Q	67.8	Low	70.7	Confident	105 Å²	105	98.3 Å²	98.3	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-58.3	-49.2	169.2	-74.7	-171.1	-19.3	0	0	111.2	S607 D609 A615 I616 L617	S607-Q613 PolarHBondContact O-NE2 3.35Å; D609-Q613 PolarHBondContact O-N 3.47Å; Q613-A615 VanDerWaalsContact C-N 3.35Å; Q613-A615 PolarHBondContact O-N 3.16Å; Q613-I616 PolarHBondContact O-N 3.48Å; Q613-L617 WeakPolarHBondContact O-CB 3.18Å; Q613-L617 PolarHBondContact O-N 3.34Å
614	A	75.5	Confident	70.5	Confident	59 Å²	59	99.1 Å²	99.1	49%	0.488	55%	0.55	S	S	.	*	H	α-helix	trans	-61.1	-41.5	177.5	0	0	0	0	0	112.2	P610 L617 A618	P610-A614 VanDerWaalsContact O-CB 3.32Å; P610-A614 WeakPolarHBondContact O-CB 3.47Å; P610-A614 PolarHBondContact O-N 2.81Å; A614-L617 PolarHBondContact O-N 3.32Å; A614-A618 VanDerWaalsContact O-CB 3.25Å; A614-A618 WeakPolarHBondContact O-CB 3.03Å; A614-A618 PolarHBondContact O-N 3.36Å
615	A	78.9	Confident	70	Confident	49 Å²	49	95.8 Å²	95.8	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-40.7	176.1	0	0	0	0	0	112.9	A611 V612 Q613 Q619	A611-A615 WeakPolarHBondContact O-CB 3.15Å; A611-A615 PolarHBondContact O-N 3.27Å; V612-A615 PolarHBondContact O-N 3.46Å; Q613-A615 VanDerWaalsContact C-N 3.35Å; Q613-A615 PolarHBondContact O-N 3.16Å; A615-Q619 WeakPolarHBondContact O-CB 3.4Å; A615-Q619 WeakPolarHBondContact O-CG 3.28Å; A615-Q619 PolarHBondContact O-N 2.97Å
616	I	74.2	Confident	69.2	Low	74 Å²	74	98.7 Å²	98.7	38%	0.379	56%	0.562	S	S	.	*	H	α-helix	trans	-66.1	-43.8	175.4	-71.2	168.1	0	0	0	110.5	V612 Q613 Q619 L620	V612-I616 HydrophobicContact CG1-CD1 3.81Å; V612-I616 HydrophobicContact CG1-CG1 4.3Å; V612-I616 WeakPolarHBondContact O-CB 3.17Å; V612-I616 VanDerWaalsContact O-CG1 3.26Å; V612-I616 WeakPolarHBondContact O-CG1 3.34Å; V612-I616 PolarHBondContact O-N 2.85Å; Q613-I616 PolarHBondContact O-N 3.48Å; I616-Q619 PolarHBondContact O-N 2.88Å; I616-L620 HydrophobicContact CG2-CD1 3.9Å; I616-L620 HydrophobicContact CG2-CG 4.42Å; I616-L620 WeakPolarHBondContact O-CB 3.49Å; I616-L620 WeakPolarHBondContact O-CG 3.44Å; I616-L620 PolarHBondContact O-N 3.06Å
617	L	77.2	Confident	68.3	Low	108 Å²	108	96.6 Å²	96.6	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-64.9	-40.6	178	-165.8	69.1	0	0	0	111.4	Q613 A614 L620 N621	Q613-L617 WeakPolarHBondContact O-CB 3.18Å; Q613-L617 PolarHBondContact O-N 3.34Å; A614-L617 PolarHBondContact O-N 3.32Å; L617-L620 PolarHBondContact O-N 3.38Å; L617-N621 WeakPolarHBondContact O-CB 3.43Å; L617-N621 PolarHBondContact O-N 3.2Å
618	A	79.1	Confident	67.3	Low	59 Å²	59	100.6 Å²	100.6	49%	0.488	59%	0.589	S	S	.	*	H	α-helix	trans	-64	-41.4	173	0	0	0	0	0	112.3	A614 N621 A622	A614-A618 VanDerWaalsContact O-CB 3.25Å; A614-A618 WeakPolarHBondContact O-CB 3.03Å; A614-A618 PolarHBondContact O-N 3.36Å; A618-N621 PolarHBondContact O-N 3Å; A618-A622 VanDerWaalsContact O-CB 3.28Å; A618-A622 WeakPolarHBondContact O-CB 3.5Å; A618-A622 PolarHBondContact O-N 3.29Å
619	Q	78.7	Confident	66.4	Low	139 Å²	139	97.6 Å²	97.6	65%	0.65	59%	0.59	S	S	*	*	H	α-helix	trans	-67.5	-37	174.7	-77	-175.4	6.9	0	0	112.7	A615 I616 A622 K623	A615-Q619 WeakPolarHBondContact O-CB 3.4Å; A615-Q619 WeakPolarHBondContact O-CG 3.28Å; A615-Q619 PolarHBondContact O-N 2.97Å; I616-Q619 PolarHBondContact O-N 2.88Å; Q619-A622 PolarHBondContact O-N 3.17Å; Q619-K623 WeakPolarHBondContact O-CB 3.42Å; Q619-K623 PolarHBondContact O-N 3.45Å
620	L	73.1	Confident	65.2	Low	86 Å²	86	98.8 Å²	98.8	45%	0.45	60%	0.602	S	S	.	*	H	α-helix	trans	-64.7	-45.9	174.4	-74.9	167.6	0	0	0	110.9	I616 L617 A622 K623 Y624	I616-L620 HydrophobicContact CG2-CD1 3.9Å; I616-L620 HydrophobicContact CG2-CG 4.42Å; I616-L620 WeakPolarHBondContact O-CB 3.49Å; I616-L620 WeakPolarHBondContact O-CG 3.44Å; I616-L620 PolarHBondContact O-N 3.06Å; L617-L620 PolarHBondContact O-N 3.38Å; L620-A622 PolarHBondContact O-N 3Å; L620-K623 PolarHBondContact O-N 2.95Å; L620-Y624 HydrophobicContact CD2-CD2 4.06Å; L620-Y624 HydrophobicContact CD2-CE2 4.12Å; L620-Y624 PolarHBondContact O-N 2.71Å
621	N	76.8	Confident	63.6	Low	105 Å²	105	102 Å²	102	56%	0.561	61%	0.614	S	S	*	*	H	α-helix	trans	-62.3	-40.8	174	-73.1	-16.8	0	0	0	112	L617 A618 K623 G625	L617-N621 WeakPolarHBondContact O-CB 3.43Å; L617-N621 PolarHBondContact O-N 3.2Å; A618-N621 PolarHBondContact O-N 3Å; N621-K623 VanDerWaalsContact C-N 3.31Å; N621-K623 PolarHBondContact O-N 3.43Å; N621-G625 WeakPolarHBondContact O-CA 3.44Å; N621-G625 PolarHBondContact O-N 3.05Å
622	A	75.7	Confident	61.8	Low	92 Å²	92	103 Å²	103	76%	0.76	62%	0.623	S	S	*	*	H	α-helix	trans	-70	-23.4	176.8	0	0	0	0	0	114.1	A618 Q619 L620	A618-A622 VanDerWaalsContact O-CB 3.28Å; A618-A622 WeakPolarHBondContact O-CB 3.5Å; A618-A622 PolarHBondContact O-N 3.29Å; Q619-A622 PolarHBondContact O-N 3.17Å; L620-A622 PolarHBondContact O-N 3Å
623	K	74	Confident	60.4	Low	155 Å²	155	107.1 Å²	107.1	67%	0.674	65%	0.65	S	S	*	*	H	α-helix	trans	-102.2	-23.1	-174.2	-168.6	174.2	179.8	-176.3	0	114.2	Q619 L620 N621	Q619-K623 WeakPolarHBondContact O-CB 3.42Å; Q619-K623 PolarHBondContact O-N 3.45Å; L620-K623 PolarHBondContact O-N 2.95Å; N621-K623 VanDerWaalsContact C-N 3.31Å; N621-K623 PolarHBondContact O-N 3.43Å
624	Y	67	Low	58.9	Low	168 Å²	168	111.1 Å²	111.1	66%	0.659	67%	0.666	S	S	*	*	H	α-helix	trans	-130.9	-10.5	-178.3	-59.2	-77.9	0	0	0	113.8	L620 S626	L620-Y624 HydrophobicContact CD2-CD2 4.06Å; L620-Y624 HydrophobicContact CD2-CE2 4.12Å; L620-Y624 PolarHBondContact O-N 2.71Å; Y624-S626 PolarHBondContact O-N 3.18Å; Y624-S626 VanDerWaalsContact O-N 3.09Å
625	G	50.3	Low	57.1	Low	60 Å²	60	115.6 Å²	115.6	62%	0.619	68%	0.677	S	S	*	*			trans	-83.3	72.1	177.7	0	0	0	0	0	113.2	N621	N621-G625 WeakPolarHBondContact O-CA 3.44Å; N621-G625 PolarHBondContact O-N 3.05Å
626	S	44.2	Very low	55.1	Low	124 Å²	124	120.2 Å²	120.2	87%	0.867	69%	0.691	S	S	*	*			trans	-136.7	89.4	167	-171.2	0	0	0	0	109.9	Y624	Y624-S626 PolarHBondContact O-N 3.18Å; Y624-S626 VanDerWaalsContact O-N 3.09Å
627	G	39.8	Very low	53.3	Low	69 Å²	69	122 Å²	122	71%	0.711	71%	0.71	S	S	*	*	S	Bend	trans	-173	97.5	-176.6	0	0	0	0	0	112.6
628	V	39	Very low	51.3	Low	141 Å²	141	127 Å²	127	86%	0.855	73%	0.727	S	S	*	*			trans	66.8	95.6	170.3	-166.1	0	0	0	0	116.3
629	L	40.6	Very low	49.2	Very low	166 Å²	166	127.9 Å²	127.9	87%	0.869	74%	0.743	S	S	*	*			trans	-80.6	156	147.2	-76.4	165.8	0	0	0	109.5
630	P	41	Very low	47.1	Very low	108 Å²	108	131.2 Å²	131.2	70%	0.701	76%	0.759	S	S	*	*				-133.3	148.1	123.1	36.9	-29	0	0	0	114.3
631	D	37.2	Very low	45.3	Very low	163 Å²	163	130.7 Å²	130.7	87%	0.872	77%	0.773	S	S	*	*			trans	39.5	134.2	163.7	-73.8	-37.1	0	0	0	123
632	A	37.2	Very low	43.4	Very low	90 Å²	90	134.6 Å²	134.6	74%	0.744	79%	0.785	S	S	*	*			trans	-132.9	121.8	163.6	0	0	0	0	0	110
633	P	40.7	Very low	41.7	Very low	130 Å²	130	136.5 Å²	136.5	84%	0.844	78%	0.783	S	S	*	*			trans	-79.9	137.5	171.1	31.8	-32.3	0	0	0	111.1
634	K	36.4	Very low	40.1	Very low	189 Å²	189	137.8 Å²	137.8	82%	0.822	79%	0.789	S	S	*	*			trans	-83.1	154.5	159.3	-52.5	173.5	-178.9	172.3	0	107.3
635	E	38.2	Very low	38.8	Very low	153 Å²	153	136.2 Å²	136.2	72%	0.715	79%	0.791	S	S	*	*				-174.3	161.8	67.5	-83.2	-154.4	138.1	0	0	114.2
636	M	37.5	Very low	38.6	Very low	145 Å²	145	140.6 Å²	140.6	71%	0.714	80%	0.8	S	S	*	*			trans	42.4	105.9	143.8	-64.4	-160.4	-79.9	0	0	123.3
637	S	36.3	Very low	38.2	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	80%	0.797	S	S	*	*				89.5	131.7	117.6	81.2	0	0	0	0	122.4
638	K	33.7	Very low	38.2	Very low	213 Å²	213	143.8 Å²	143.8	93%	0.926	80%	0.8	S	S	*	*			trans	13.5	112.2	152.9	-64	179.7	177.6	178.7	0	119.2
639	G	35.4	Very low	38.3	Very low	79 Å²	79	146.8 Å²	146.8	81%	0.814	80%	0.801	S	S	*	*			trans	-146.7	141.6	153.1	0	0	0	0	0	110.7
640	Q	35.6	Very low	38.6	Very low	209 Å²	209	142.9 Å²	142.9	98%	0.977	79%	0.788	S	S	*	*			trans	-99	138	174	-63.1	167.7	-83.2	0	0	109.4
641	G	35.5	Very low	38.9	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	79%	0.794	S	S	*	*			trans	159.8	89	169.1	0	0	0	0	0	116.5
642	K	35.7	Very low	39.8	Very low	187 Å²	187	138.7 Å²	138.7	81%	0.813	78%	0.78	S	S	*	*			trans	41.2	142.4	134.1	-88.9	-174.8	165.1	-157.7	0	123.1
643	D	40.3	Very low	40.7	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	78%	0.779	S	S	*	*			trans	78.3	144.5	145.2	-60.1	-33.4	0	0	0	120.1
644	K	40.1	Very low	41.4	Very low	182 Å²	182	141.5 Å²	141.5	79%	0.791	78%	0.775	S	S	*	*			trans	-65	160.5	-172.5	-48.7	161.7	-179.2	173.3	0	110.1
645	D	41.1	Very low	42.4	Very low	134 Å²	134	137.3 Å²	137.3	72%	0.717	77%	0.769	S	S	*	*			cis	-168.4	170.9	48.6	-124.8	-44.2	0	0	0	114.2
646	L	45.3	Very low	43.5	Very low	153 Å²	153	139 Å²	139	80%	0.801	78%	0.777	S	S	*	*			trans	61.8	115.2	157	-65	170.3	0	0	0	122.9
647	N	35.7	Very low	45.2	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	76%	0.76	S	S	*	*				70.6	91.5	127.4	-166.2	41.6	0	0	0	121.7
648	S	38.9	Very low	46.7	Very low	110 Å²	110	137 Å²	137	77%	0.769	76%	0.76	S	S	*	*			trans	-170.6	127.7	135	42	0	0	0	0	113
649	K	42.5	Very low	48.3	Very low	203 Å²	203	134.8 Å²	134.8	88%	0.883	75%	0.75	S	S	*	*			trans	178.4	110	160.3	-102.1	165.9	177.9	179	0	107.7
650	S	46.1	Very low	49.9	Very low	85 Å²	85	136.6 Å²	136.6	59%	0.594	74%	0.736	S	S	*	*				102.7	53.5	55.3	72.8	0	0	0	0	114.6	S652	S650-S652 VanDerWaalsContact C-N 3.29Å; S650-S652 PolarHBondContact O-N 3.1Å; S650-S652 PolarHBondContact O-OG 3Å
651	A	48.1	Very low	51.5	Low	101 Å²	101	131 Å²	131	84%	0.835	72%	0.716	S	S	*	*	S	Bend	trans	46.7	13.6	132.4	0	0	0	0	0	122.7
652	S	56.2	Low	52.9	Low	82 Å²	82	135.2 Å²	135.2	57%	0.573	72%	0.715	S	S	*	*			trans	-92.1	-25	-177.8	51	0	0	0	0	115.5	S650 L654	S650-S652 VanDerWaalsContact C-N 3.29Å; S650-S652 PolarHBondContact O-N 3.1Å; S650-S652 PolarHBondContact O-OG 3Å; S652-L654 PolarHBondContact O-N 3.16Å
653	D	54.4	Low	54.6	Low	136 Å²	136	133.2 Å²	133.2	73%	0.727	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	14.9	-160.7	-67.3	17.2	0	0	0	114.4
654	L	56.8	Low	56.1	Low	142 Å²	142	133.9 Å²	133.9	74%	0.743	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	3.3	-173.2	-67.1	175.6	0	0	0	114.7	S652	S652-L654 PolarHBondContact O-N 3.16Å
655	S	56.3	Low	57.7	Low	102 Å²	102	131.7 Å²	131.7	71%	0.713	71%	0.707	S	S	*	*	S	Bend	trans	-93.7	-12.5	-171.2	51.1	0	0	0	0	115.9
656	E	62.3	Low	59.2	Low	189 Å²	189	129.9 Å²	129.9	88%	0.883	70%	0.701	S	S	*	*	S	Bend	trans	-111.5	-1.7	-168.5	-61.7	-161.5	140.5	0	0	115.7
657	D	71.9	Confident	60.3	Low	63 Å²	63	130.3 Å²	130.3	34%	0.337	70%	0.696	S	S	.	*			trans	-136.7	103.4	-176	-169.4	-13.1	0	0	0	112.8	F659 K660	D657-F659 PolarHBondContact O-N 3.31Å; D657-F659 PolarHBondContact OD1-N 3.06Å; D657-K660 HydrophobicContact CB-CD 3.96Å; D657-K660 HydrophobicContact CB-CG 4.16Å; D657-K660 PolarHBondContact O-N 2.89Å; D657-K660 WeakPolarHBondContact OD2-CE 3.43Å; D657-K660 IonicContact OD2-NZ 3.59Å
658	L	69.1	Low	61.9	Low	149 Å²	149	129.1 Å²	129.1	78%	0.78	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-18.5	-179.5	-112.8	70.4	0	0	0	114	V661	L658-V661 WeakPolarHBondContact O-CG2 3.26Å
659	F	66.5	Low	63.1	Low	167 Å²	167	130.7 Å²	130.7	73%	0.732	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-25.5	-178.8	-71.4	-90.8	0	0	0	112.6	D657 V661	D657-F659 PolarHBondContact O-N 3.31Å; D657-F659 PolarHBondContact OD1-N 3.06Å; F659-V661 PolarHBondContact O-N 2.73Å
660	K	70.1	Confident	64.2	Low	118 Å²	118	127.7 Å²	127.7	51%	0.513	68%	0.681	S	S	.	*	G	3₁₀ helix	trans	-69.4	-13.3	175	-69.5	178.1	-172.8	157.4	0	114.2	D657 H662 D663	D657-K660 HydrophobicContact CB-CD 3.96Å; D657-K660 HydrophobicContact CB-CG 4.16Å; D657-K660 PolarHBondContact O-N 2.89Å; D657-K660 WeakPolarHBondContact OD2-CE 3.43Å; D657-K660 IonicContact OD2-NZ 3.59Å; K660-H662 PolarHBondContact O-N 3.12Å; K660-H662 VanDerWaalsContact O-N 3.13Å; K660-D663 PolarHBondContact O-N 3.4Å
661	V	67.7	Low	64.4	Low	90 Å²	90	132.2 Å²	132.2	55%	0.545	69%	0.693	S	S	.	*	G	3₁₀ helix	trans	-62.6	-18.6	178.3	-176.1	0	0	0	0	112.4	L658 F659 F664	L658-V661 WeakPolarHBondContact O-CG2 3.26Å; F659-V661 PolarHBondContact O-N 2.73Å; V661-F664 WeakPolarHBondContact O-CD1 3.22Å
662	H	66.3	Low	64.8	Low	163 Å²	163	133 Å²	133	76%	0.755	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-105.1	0.2	179.1	-66.8	-64.5	0	0	0	114.9	K660	K660-H662 PolarHBondContact O-N 3.12Å; K660-H662 VanDerWaalsContact O-N 3.13Å
663	D	70.9	Confident	64.7	Low	145 Å²	145	134.2 Å²	134.2	78%	0.775	69%	0.693	S	S	*	*			trans	-108.2	69.3	-178.4	-167.6	22.9	0	0	0	110.7	K660	K660-D663 PolarHBondContact O-N 3.4Å
664	F	71.9	Confident	63.9	Low	147 Å²	147	134 Å²	134	65%	0.645	70%	0.702	S	S	*	*			trans	-120.8	117.6	178.1	61.4	-93.4	0	0	0	112.2	V661 V666	V661-F664 WeakPolarHBondContact O-CD1 3.22Å; F664-V666 HydrophobicContact CD2-CG2 3.55Å; F664-V666 HydrophobicContact CE2-CG2 3.57Å; F664-V666 PolarHBondContact O-N 2.63Å
665	D	73	Confident	63.5	Low	136 Å²	136	132.3 Å²	132.3	73%	0.727	70%	0.702	S	S	*	*			trans	-78.5	96.7	-176.2	-167.7	32.3	0	0	0	110.7	K667	D665-K667 PolarHBondContact O-N 3.15Å; D665-K667 WeakPolarHBondContact OD2-CE 3.44Å
666	V	72.1	Confident	63	Low	96 Å²	96	135.3 Å²	135.3	58%	0.582	71%	0.705	S	S	*	*			trans	-75	88	-174	-169.6	0	0	0	0	111.3	F664 I668	F664-V666 HydrophobicContact CD2-CG2 3.55Å; F664-V666 HydrophobicContact CE2-CG2 3.57Å; F664-V666 PolarHBondContact O-N 2.63Å; V666-I668 HydrophobicContact CG1-CD1 4.32Å; V666-I668 HydrophobicContact CG1-CG1 3.7Å; V666-I668 PolarHBondContact O-N 3.13Å
667	K	69.3	Low	62	Low	163 Å²	163	132.4 Å²	132.4	71%	0.709	71%	0.706	S	S	*	*			trans	-73.8	91	170.7	-67.9	179.5	-177.8	174.1	0	111	D665 D669	D665-K667 PolarHBondContact O-N 3.15Å; D665-K667 WeakPolarHBondContact OD2-CE 3.44Å; K667-D669 VanDerWaalsContact C-N 3.31Å; K667-D669 PolarHBondContact O-N 3.21Å
668	I	70	Confident	60.7	Low	125 Å²	125	138 Å²	138	64%	0.641	73%	0.727	S	S	*	*			trans	-78.7	79.1	174.8	-49.5	179.7	0	0	0	109.7	V666 L670	V666-I668 HydrophobicContact CG1-CD1 4.32Å; V666-I668 HydrophobicContact CG1-CG1 3.7Å; V666-I668 PolarHBondContact O-N 3.13Å; I668-L670 HydrophobicContact CG2-CB 4.49Å; I668-L670 HydrophobicContact CG2-CD1 3.76Å; I668-L670 HydrophobicContact CG2-CG 3.79Å; I668-L670 PolarHBondContact O-N 2.99Å
669	D	62.5	Low	59.3	Low	143 Å²	143	136 Å²	136	77%	0.765	73%	0.731	S	S	*	*			trans	-72.5	76.6	167.8	-83.5	-29.8	0	0	0	110.4	K667 Q671	K667-D669 VanDerWaalsContact C-N 3.31Å; K667-D669 PolarHBondContact O-N 3.21Å; D669-Q671 VanDerWaalsContact C-N 3.34Å; D669-Q671 PolarHBondContact O-N 3.39Å
670	L	66.4	Low	58.2	Low	139 Å²	139	135.5 Å²	135.5	73%	0.728	74%	0.736	S	S	*	*			trans	-67.4	89.7	171.4	-97.1	158.8	0	0	0	110	I668 V672	I668-L670 HydrophobicContact CG2-CB 4.49Å; I668-L670 HydrophobicContact CG2-CD1 3.76Å; I668-L670 HydrophobicContact CG2-CG 3.79Å; I668-L670 PolarHBondContact O-N 2.99Å; L670-V672 PolarHBondContact O-N 2.91Å
671	Q	50.2	Low	56.8	Low	181 Å²	181	134.8 Å²	134.8	85%	0.846	75%	0.752	S	S	*	*			trans	-67.5	77.9	169.1	-65.3	-173.5	9.5	0	0	110.6	D669 P673	D669-Q671 VanDerWaalsContact C-N 3.34Å; D669-Q671 PolarHBondContact O-N 3.39Å; Q671-P673 WeakPolarHBondContact O-CD 3.16Å
672	V	57.2	Low	55.6	Low	116 Å²	116	138.3 Å²	138.3	70%	0.703	77%	0.766	S	S	*	*			trans	-65.3	121.8	169.5	-178.6	0	0	0	0	108.2	L670 S674	L670-V672 PolarHBondContact O-N 2.91Å; V672-S674 PolarHBondContact O-N 2.82Å
673	P	53.3	Low	54.6	Low	109 Å²	109	136.1 Å²	136.1	71%	0.708	76%	0.764	S	S	*	*			trans	-58.9	127.7	-178.8	-26.2	35.6	0	0	0	112	Q671 S675	Q671-P673 WeakPolarHBondContact O-CD 3.16Å; P673-S675 PolarHBondContact O-N 3.29Å
674	S	38	Very low	53.2	Low	131 Å²	131	135.2 Å²	135.2	92%	0.916	77%	0.769	S	S	*	*			trans	-77.9	85.6	-175.9	58.8	0	0	0	0	111.9	V672	V672-S674 PolarHBondContact O-N 2.82Å
675	S	48.1	Very low	52	Low	106 Å²	106	137.4 Å²	137.4	74%	0.741	78%	0.779	S	S	*	*			trans	-112.3	111.7	173.7	49.3	0	0	0	0	113.1	P673	P673-S675 PolarHBondContact O-N 3.29Å
676	E	46.5	Very low	50.7	Low	166 Å²	166	135.2 Å²	135.2	78%	0.776	78%	0.78	S	S	*	*			trans	44.1	97.6	159.8	-57.6	-158.4	157.5	0	0	119.4	K678	E676-K678 PolarHBondContact O-N 2.99Å; E676-K678 VanDerWaalsContact O-N 3.16Å
677	S	40.2	Very low	50	Low	128 Å²	128	136.1 Å²	136.1	90%	0.895	79%	0.787	S	S	*	*			trans	-59.9	110.1	164.4	45.4	0	0	0	0	113.2
678	K	45.6	Very low	49	Very low	180 Å²	180	134.3 Å²	134.3	78%	0.783	79%	0.792	S	S	*	*			trans	-117.3	101.3	159.5	-90.6	171	-179.2	139.7	0	110.5	E676 L680	E676-K678 PolarHBondContact O-N 2.99Å; E676-K678 VanDerWaalsContact O-N 3.16Å; K678-L680 PolarHBondContact O-N 3.47Å
679	A	40.7	Very low	47.8	Very low	106 Å²	106	133 Å²	133	88%	0.876	80%	0.8	S	S	*	*			trans	-71	118.6	-179.8	0	0	0	0	0	111.6
680	L	43	Very low	46.9	Very low	158 Å²	158	135.8 Å²	135.8	83%	0.827	81%	0.806	S	S	*	*			trans	-129.5	100.1	165.4	-85.4	169.5	0	0	0	108.9	K678 I682	K678-L680 PolarHBondContact O-N 3.47Å; L680-I682 PolarHBondContact O-N 3.46Å
681	A	39.8	Very low	45.8	Very low	103 Å²	103	137.3 Å²	137.3	85%	0.851	81%	0.814	S	S	*	*			trans	-72.3	116.7	176.8	0	0	0	0	0	110.5
682	I	43.4	Very low	45.5	Very low	163 Å²	163	132.5 Å²	132.5	84%	0.836	81%	0.813	S	S	*	*			trans	-106.3	115.8	170.9	-61.7	-178.9	0	0	0	108	L680	L680-I682 PolarHBondContact O-N 3.46Å
683	T	44.6	Very low	44.8	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.724	82%	0.815	S	S	*	*			trans	-78.4	129.1	-178.8	54.7	0	0	0	0	110.8	K685	T683-K685 PolarHBondContact O-N 3.31Å
684	S	42.4	Very low	44.7	Very low	126 Å²	126	132.4 Å²	132.4	88%	0.881	82%	0.822	S	S	*	*			trans	-71.8	95.4	173.9	40.8	0	0	0	0	110.8
685	K	45.1	Very low	45.1	Very low	193 Å²	193	136 Å²	136	84%	0.839	82%	0.816	S	S	*	*			trans	-94.2	110.2	160.7	-84.8	-170.9	171.9	-176.9	0	109.6	T683	T683-K685 PolarHBondContact O-N 3.31Å
686	A	46.6	Very low	45.5	Very low	90 Å²	90	142 Å²	142	74%	0.744	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-62.9	139.6	169.6	0	0	0	0	0	110.5
687	P	56.6	Low	46.2	Very low	114 Å²	114	139.6 Å²	139.6	74%	0.74	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.4	152.4	166.7	31.1	-34.2	0	0	0	110.1	A689	P687-A689 PolarHBondContact O-N 3.44Å
688	P	49.9	Very low	46.9	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.8	173.4	28.4	-33.8	0	0	0	110.1
689	A	43.2	Very low	47.9	Very low	99 Å²	99	134.8 Å²	134.8	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63	142.5	172.6	0	0	0	0	0	110.7	P687	P687-A689 PolarHBondContact O-N 3.44Å
690	K	44.7	Very low	49.5	Very low	201 Å²	201	135.5 Å²	135.5	87%	0.874	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-103.5	142.9	157.6	-76.2	-174.9	172	-174.8	0	108.2
691	D	43.1	Very low	51.2	Low	171 Å²	171	133.4 Å²	133.4	91%	0.914	77%	0.77	S	S	*	*	S	Bend	trans	-63.5	152.5	178.4	-53.6	-89.5	0	0	0	112.3
692	G	43.4	Very low	53	Low	80 Å²	80	132.3 Å²	132.3	83%	0.825	75%	0.75	S	S	*	*			trans	160.4	-23.8	171.7	0	0	0	0	0	117.2
693	A	42.4	Very low	54.7	Low	89 Å²	89	129.4 Å²	129.4	74%	0.736	73%	0.73	S	S	*	*	S	Bend	trans	-92	141.1	-175.2	0	0	0	0	0	113.4
694	P	50.8	Low	56.7	Low	133 Å²	133	128.8 Å²	128.8	86%	0.864	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-59.8	139.2	-179.3	-25.8	35.3	0	0	0	114
695	R	47.6	Very low	58.7	Low	207 Å²	207	129.8 Å²	129.8	78%	0.781	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-79.1	126.1	-173.6	-55.6	179.3	82.9	153.6	7.7	110.6
696	R	56.7	Low	60.3	Low	233 Å²	233	127.2 Å²	127.2	88%	0.879	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-66.9	161	169.6	-141.4	161.3	79.6	175.8	6.2	110.4
697	S	60.1	Low	62	Low	114 Å²	114	131.3 Å²	131.3	80%	0.797	69%	0.686	S	S	*	*			trans	-42.4	134.4	-166.8	37.6	0	0	0	0	115.6	N699	S697-N699 PolarHBondContact O-N 3.22Å
698	L	55.7	Low	62.5	Low	113 Å²	113	128.8 Å²	128.8	59%	0.592	68%	0.682	S	S	*	*			trans	-74.3	120.4	179.4	-162.7	88.5	0	0	0	110	Y703	L698-Y703 HydrophobicContact CD2-CD2 4.25Å; L698-Y703 HydrophobicContact CD2-CG 4.44Å
699	N	66.1	Low	63.7	Low	95 Å²	95	128.7 Å²	128.7	51%	0.508	67%	0.673	S	S	.	*			trans	-84.3	144.8	172.9	-169.5	28	0	0	0	111.5	S697 E701 D702 Y703	S697-N699 PolarHBondContact O-N 3.22Å; N699-E701 PolarHBondContact ND2-OE2 3.2Å; N699-D702 PolarHBondContact O-N 2.81Å; N699-Y703 PolarHBondContact O-N 2.85Å
700	L	74.5	Confident	64.9	Low	120 Å²	120	131 Å²	131	63%	0.628	67%	0.671	S	S	*	*	H	α-helix	trans	-69.2	-39.2	-170.6	-85.4	166.2	0	0	0	113.6	D702 Y703 K704	L700-D702 PolarHBondContact O-N 3.25Å; L700-Y703 PolarHBondContact O-N 3.09Å; L700-K704 PolarHBondContact O-N 3.22Å; L700-K704 VanDerWaalsContact O-N 3.09Å
701	E	78.3	Confident	65.9	Low	114 Å²	114	127.5 Å²	127.5	53%	0.533	66%	0.66	S	S	.	*	H	α-helix	trans	-56.2	-38.4	172.8	-69.1	77.5	-112.4	0	0	111.8	N699 K704 K705	N699-E701 PolarHBondContact ND2-OE2 3.2Å; E701-K704 PolarHBondContact O-N 3.15Å; E701-K705 WeakPolarHBondContact O-CB 3.36Å; E701-K705 PolarHBondContact O-N 3.44Å
702	D	77.4	Confident	67.1	Low	81 Å²	81	125.2 Å²	125.2	43%	0.433	65%	0.647	S	S	.	*	H	α-helix	trans	-80.1	-22.2	-173.1	-151.5	62.9	0	0	0	112.5	N699 L700 R706	N699-D702 PolarHBondContact O-N 2.81Å; L700-D702 PolarHBondContact O-N 3.25Å; D702-R706 WeakPolarHBondContact O-CB 3.16Å; D702-R706 PolarHBondContact O-N 2.69Å; D702-R706 IonicContact OD2-CZ 3.72Å; D702-R706 IonicContact OD2-NH2 2.62Å; D702-R706 PolarHBondContact OD2-NH2 2.62Å
703	Y	78.4	Confident	68.4	Low	102 Å²	102	127.7 Å²	127.7	40%	0.4	64%	0.637	S	S	.	*	H	α-helix	trans	-71.7	-50.8	164.2	-179.8	-104.4	0	0	0	111.3	L698 N699 L700 K705 R706 R707	L698-Y703 HydrophobicContact CD2-CD2 4.25Å; L698-Y703 HydrophobicContact CD2-CG 4.44Å; N699-Y703 PolarHBondContact O-N 2.85Å; L700-Y703 PolarHBondContact O-N 3.09Å; Y703-K705 PolarHBondContact O-N 3.01Å; Y703-R706 PolarHBondContact O-N 2.87Å; Y703-R706 VanDerWaalsContact O-N 3.1Å; Y703-R707 HydrophobicContact CE1-CG 4.21Å; Y703-R707 HydrophobicContact CE2-CG 3.95Å; Y703-R707 PolarHBondContact O-N 2.93Å
704	K	87	Confident	70	Confident	105 Å²	105	130 Å²	130	46%	0.457	63%	0.631	S	S	.	*	H	α-helix	trans	-58.8	-47	-177.7	-71.9	-174.3	176.4	-176.4	0	111.7	L700 E701 R706 R707 G708 L709 I710	L700-K704 PolarHBondContact O-N 3.22Å; L700-K704 VanDerWaalsContact O-N 3.09Å; E701-K704 PolarHBondContact O-N 3.15Å; K704-R706 VanDerWaalsContact C-N 3.33Å; K704-R706 PolarHBondContact O-N 3.29Å; K704-R707 PolarHBondContact O-N 3.16Å; K704-G708 PolarHBondContact O-N 3.48Å; K704-G708 VanDerWaalsContact O-N 3.11Å; K704-L709 HydrophobicContact CB-CB 4.27Å; K704-L709 HydrophobicContact CG-CB 4.44Å; K704-L709 PolarHBondContact O-N 2.84Å; K704-I710 HydrophobicContact CB-CD1 3.56Å; K704-I710 HydrophobicContact CB-CG1 3.83Å; K704-I710 HydrophobicContact CD-CD1 4.15Å; K704-I710 HydrophobicContact CD-CG1 4.34Å
705	K	85.6	Confident	71.2	Confident	146 Å²	146	129.8 Å²	129.8	64%	0.635	62%	0.617	S	S	*	*	H	α-helix	trans	-57.8	-40	173.9	-92	-177.3	172.4	173.5	0	113.5	E701 Y703 G708 I710	E701-K705 WeakPolarHBondContact O-CB 3.36Å; E701-K705 PolarHBondContact O-N 3.44Å; Y703-K705 PolarHBondContact O-N 3.01Å; K705-G708 PolarHBondContact O-N 3.48Å; K705-I710 HydrophobicContact CG-CB 4.4Å; K705-I710 HydrophobicContact CG-CD1 4.39Å
706	R	78	Confident	72.7	Confident	140 Å²	140	124.7 Å²	124.7	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-80.9	-14.9	-175.2	-147.9	-175.2	-53.5	142.6	2.1	113.9	D702 Y703 K704	D702-R706 WeakPolarHBondContact O-CB 3.16Å; D702-R706 PolarHBondContact O-N 2.69Å; D702-R706 IonicContact OD2-CZ 3.72Å; D702-R706 IonicContact OD2-NH2 2.62Å; D702-R706 PolarHBondContact OD2-NH2 2.62Å; Y703-R706 PolarHBondContact O-N 2.87Å; Y703-R706 VanDerWaalsContact O-N 3.1Å; K704-R706 VanDerWaalsContact C-N 3.33Å; K704-R706 PolarHBondContact O-N 3.29Å
707	R	82.5	Confident	73.9	Confident	175 Å²	175	116.9 Å²	116.9	66%	0.66	59%	0.586	S	S	*	*	H	α-helix	trans	-97	-10	170.5	-88.3	-70	-154.2	170.5	4.5	114.2	Y703 K704 L709	Y703-R707 HydrophobicContact CE1-CG 4.21Å; Y703-R707 HydrophobicContact CE2-CG 3.95Å; Y703-R707 PolarHBondContact O-N 2.93Å; K704-R707 PolarHBondContact O-N 3.16Å; R707-L709 HydrophobicContact CB-CD1 3.66Å
708	G	66.5	Low	74.9	Confident	62 Å²	62	117.2 Å²	117.2	64%	0.639	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.8	34.2	-173.8	0	0	0	0	0	113.8	K704 K705	K704-G708 PolarHBondContact O-N 3.48Å; K704-G708 VanDerWaalsContact O-N 3.11Å; K705-G708 PolarHBondContact O-N 3.48Å
709	L	75.3	Confident	76.5	Confident	122 Å²	122	117.5 Å²	117.5	64%	0.639	57%	0.568	S	S	*	*			trans	-99.1	13.2	171.9	-84.7	82.3	0	0	0	112.8	K704 R707	K704-L709 HydrophobicContact CB-CB 4.27Å; K704-L709 HydrophobicContact CG-CB 4.44Å; K704-L709 PolarHBondContact O-N 2.84Å; R707-L709 HydrophobicContact CB-CD1 3.66Å
710	I	68.7	Low	77.5	Confident	148 Å²	148	119.5 Å²	119.5	76%	0.759	57%	0.574	S	S	*	*			trans	-142.7	0	167.3	-64.2	165.8	0	0	0	106.1	K704 K705	K704-I710 HydrophobicContact CB-CD1 3.56Å; K704-I710 HydrophobicContact CB-CG1 3.83Å; K704-I710 HydrophobicContact CD-CD1 4.15Å; K704-I710 HydrophobicContact CD-CG1 4.34Å; K705-I710 HydrophobicContact CG-CB 4.4Å; K705-I710 HydrophobicContact CG-CD1 4.39Å

Retrieved 710 of 710 residues in 1167.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).